smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccccc3O)CC2)cc1 ZINC000012555008 132363495 /nfs/dbraw/zinc/36/34/95/132363495.db2.gz KVWHWFMTIGJPQV-UHFFFAOYSA-N -1 1 409.515 2.971 50 0 HFAAMM CC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000032104782 519590488 /nfs/dbraw/zinc/59/04/88/519590488.db2.gz VFLWWCBOIWXHGP-OAQYLSRUSA-N -1 1 420.469 2.710 50 0 HFAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1 ZINC000032943766 519726789 /nfs/dbraw/zinc/72/67/89/519726789.db2.gz SAAPATZODJRANX-UHFFFAOYSA-N -1 1 405.501 2.904 50 0 HFAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)NCCC(C)C)n2)cc1 ZINC000021911395 520821692 /nfs/dbraw/zinc/82/16/92/520821692.db2.gz LANJCOXYRVMQMY-UHFFFAOYSA-N -1 1 415.519 2.738 50 0 HFAAMM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000032891505 525635582 /nfs/dbraw/zinc/63/55/82/525635582.db2.gz ZDTXBIACZWRPNN-UHFFFAOYSA-N -1 1 401.484 2.839 50 0 HFAAMM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(OC)cc(=O)[n-]1)CCCC2 ZINC000012413870 558401660 /nfs/dbraw/zinc/40/16/60/558401660.db2.gz XKPZZUXSILNHDB-UHFFFAOYSA-N -1 1 423.516 2.626 50 0 HFAAMM O=C([N-]c1nnc(CS(=O)(=O)c2ccccc2)o1)c1nc2ccccc2s1 ZINC000010691079 558417901 /nfs/dbraw/zinc/41/79/01/558417901.db2.gz ZTDJWDQUDZGEIN-UHFFFAOYSA-N -1 1 400.441 2.906 50 0 HFAAMM COc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)c4ccc([O-])cc4oc3=O)n2)cc1 ZINC000013629834 558552020 /nfs/dbraw/zinc/55/20/20/558552020.db2.gz FBRDABOXOGJNSF-UHFFFAOYSA-N -1 1 406.398 2.782 50 0 HFAAMM C[C@H]1CCCN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000004486807 558604052 /nfs/dbraw/zinc/60/40/52/558604052.db2.gz FHYYMKDRGPVBGL-INIZCTEOSA-N -1 1 416.499 2.903 50 0 HFAAMM CC(C)CCNC(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000004486787 558604089 /nfs/dbraw/zinc/60/40/89/558604089.db2.gz VWSUCZFUSLXFNU-UHFFFAOYSA-N -1 1 404.488 2.807 50 0 HFAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1ccc2c(c1)OCO2 ZINC000028466768 558701418 /nfs/dbraw/zinc/70/14/18/558701418.db2.gz RKQMUNFBODQZGJ-AWEZNQCLSA-N -1 1 401.444 2.615 50 0 HFAAMM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033274708 558764384 /nfs/dbraw/zinc/76/43/84/558764384.db2.gz AYBANVINXOZHMH-UHFFFAOYSA-N -1 1 406.479 2.811 50 0 HFAAMM CC(C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000016043457 558770106 /nfs/dbraw/zinc/77/01/06/558770106.db2.gz FFAQMUVISGSQFN-UHFFFAOYSA-N -1 1 417.462 2.854 50 0 HFAAMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(=O)N1CCOCC1 ZINC000016651927 558798222 /nfs/dbraw/zinc/79/82/22/558798222.db2.gz UPUBVMZONNCCEQ-UHFFFAOYSA-N -1 1 406.529 2.990 50 0 HFAAMM Cc1sc2[n-]c(=S)n(NC(=O)COc3ccc4c(c3)OCO4)c(=O)c2c1C ZINC000017083157 558815613 /nfs/dbraw/zinc/81/56/13/558815613.db2.gz ZOMFYCFIGXCHDC-UHFFFAOYSA-N -1 1 405.457 2.615 50 0 HFAAMM CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)COc4ccccc4)ccc3n2)CC1 ZINC000033010416 558829588 /nfs/dbraw/zinc/82/95/88/558829588.db2.gz YCCMQJKFFIEKQW-UHFFFAOYSA-N -1 1 420.469 2.702 50 0 HFAAMM COc1ccc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033260858 558926518 /nfs/dbraw/zinc/92/65/18/558926518.db2.gz DVVBOMHXSFIFTG-UHFFFAOYSA-N -1 1 420.469 2.946 50 0 HFAAMM COc1cc2c(cc1[N-]S(C)(=O)=O)[C@@H](c1cccc3nsnc31)CC(=O)N2 ZINC000065435060 558977697 /nfs/dbraw/zinc/97/76/97/558977697.db2.gz QOZIVSFQBPNVLI-SNVBAGLBSA-N -1 1 404.473 2.546 50 0 HFAAMM O=C(Cc1nn[n-]n1)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067851466 558994104 /nfs/dbraw/zinc/99/41/04/558994104.db2.gz AGIGOBJNLOXCBS-UHFFFAOYSA-N -1 1 407.455 2.751 50 0 HFAAMM COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000023157472 559022459 /nfs/dbraw/zinc/02/24/59/559022459.db2.gz GCLMOVWQPBJKIN-HNNXBMFYSA-N -1 1 404.467 2.918 50 0 HFAAMM O=C([O-])c1cccc(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)c1 ZINC000060838026 559077231 /nfs/dbraw/zinc/07/72/31/559077231.db2.gz BSAGXSIMZZOJED-UHFFFAOYSA-N -1 1 414.233 2.719 50 0 HFAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)s1 ZINC000014247794 559161972 /nfs/dbraw/zinc/16/19/72/559161972.db2.gz IQWRZRFYZDYUCI-MRXNPFEDSA-N -1 1 402.520 2.591 50 0 HFAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2F)[n-]c(=O)c1C ZINC000012008328 559271107 /nfs/dbraw/zinc/27/11/07/559271107.db2.gz PYHXVFVDNINLBC-UHFFFAOYSA-N -1 1 423.404 2.989 50 0 HFAAMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000024236454 559279600 /nfs/dbraw/zinc/27/96/00/559279600.db2.gz SAUMEMGFTFHTSZ-UHFFFAOYSA-N -1 1 424.422 2.636 50 0 HFAAMM O=C(C1CC1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000005252376 560551651 /nfs/dbraw/zinc/55/16/51/560551651.db2.gz JVCYJFNEKMSVAA-UHFFFAOYSA-N -1 1 414.483 2.948 50 0 HFAAMM COc1cccc(CN(C(C)=O)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c1 ZINC000101416095 560794605 /nfs/dbraw/zinc/79/46/05/560794605.db2.gz NWOJNYMBISBJHD-UHFFFAOYSA-N -1 1 417.469 2.879 50 0 HFAAMM COc1ccc(NC(=O)CSc2nc(=O)cc([O-])n2-c2ccc(OC)cc2)cc1 ZINC000102928463 560834548 /nfs/dbraw/zinc/83/45/48/560834548.db2.gz XCPBVRIIWZSNDM-UHFFFAOYSA-N -1 1 413.455 2.686 50 0 HFAAMM COc1cc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)ccc1O ZINC000101329491 560851676 /nfs/dbraw/zinc/85/16/76/560851676.db2.gz QIODCYBHARFFQT-QMHWCDLVSA-N -1 1 424.453 2.628 50 0 HFAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1 ZINC000012123808 560889647 /nfs/dbraw/zinc/88/96/47/560889647.db2.gz UDRQIKBYWXPTRE-UHFFFAOYSA-N -1 1 403.398 2.500 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000046073893 568426655 /nfs/dbraw/zinc/42/66/55/568426655.db2.gz REDQYKLLTIRQSP-SNVBAGLBSA-N -1 1 423.292 2.709 50 0 HFAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3N3CCOCC3)ccc2N1 ZINC000018707505 568738765 /nfs/dbraw/zinc/73/87/65/568738765.db2.gz FEFUUVHCBNKQOZ-UHFFFAOYSA-N -1 1 421.906 2.862 50 0 HFAAMM CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021712861 568748549 /nfs/dbraw/zinc/74/85/49/568748549.db2.gz VBNMEEJARLWVPL-LJQANCHMSA-N -1 1 415.515 2.618 50 0 HFAAMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C)CC2)c(C)c1 ZINC000058009210 568875088 /nfs/dbraw/zinc/87/50/88/568875088.db2.gz QNFDRYZJWOZDEK-UHFFFAOYSA-N -1 1 417.531 2.863 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCCCC3)cc2)cc1 ZINC000003393797 568895112 /nfs/dbraw/zinc/89/51/12/568895112.db2.gz YNAUDKQPXMBAEL-UHFFFAOYSA-N -1 1 416.499 2.965 50 0 HFAAMM COc1cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c(OC)cc1Cl ZINC000001424197 568938789 /nfs/dbraw/zinc/93/87/89/568938789.db2.gz VEWHVJRBZKYYMW-UHFFFAOYSA-N -1 1 401.824 2.621 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 ZINC000015881353 569018465 /nfs/dbraw/zinc/01/84/65/569018465.db2.gz RJOPCBTXIUZJNF-UHFFFAOYSA-N -1 1 403.485 2.656 50 0 HFAAMM O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO2)o1 ZINC000035597499 569045687 /nfs/dbraw/zinc/04/56/87/569045687.db2.gz XYUQLXJFADNGFW-NSHDSACASA-N -1 1 407.473 2.599 50 0 HFAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2oc1=O ZINC000064818844 569101552 /nfs/dbraw/zinc/10/15/52/569101552.db2.gz TXJGSEPIEQBHTQ-UHFFFAOYSA-N -1 1 418.471 2.965 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3oc2=O)no1 ZINC000064946852 569128521 /nfs/dbraw/zinc/12/85/21/569128521.db2.gz RVWVRUTXRYLKBC-UHFFFAOYSA-N -1 1 414.443 2.752 50 0 HFAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1 ZINC000064946833 569128577 /nfs/dbraw/zinc/12/85/77/569128577.db2.gz KJSYDMHCGUIQKT-UHFFFAOYSA-N -1 1 414.443 2.697 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc(OC)c1OC ZINC000006878203 569165002 /nfs/dbraw/zinc/16/50/02/569165002.db2.gz ZZBRKULKWVLEPD-GFCCVEGCSA-N -1 1 420.487 2.811 50 0 HFAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1 ZINC000065115406 569179372 /nfs/dbraw/zinc/17/93/72/569179372.db2.gz WUZWMXCZSZBQSQ-UHFFFAOYSA-N -1 1 415.471 2.663 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C(=O)N1CCCC1 ZINC000007361425 569235328 /nfs/dbraw/zinc/23/53/28/569235328.db2.gz WYZZBWZVVOBTKT-UHFFFAOYSA-N -1 1 417.487 2.690 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c(C)c1 ZINC000007428205 569238591 /nfs/dbraw/zinc/23/85/91/569238591.db2.gz YLTZBRQHWBNFFG-UHFFFAOYSA-N -1 1 417.512 2.965 50 0 HFAAMM O=c1[nH]c(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cs1 ZINC000089762074 569263686 /nfs/dbraw/zinc/26/36/86/569263686.db2.gz MOBJRIRAJAWGQW-UHFFFAOYSA-N -1 1 418.121 2.984 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 ZINC000009440943 569392887 /nfs/dbraw/zinc/39/28/87/569392887.db2.gz SOQFLDLFNBPBFF-UHFFFAOYSA-N -1 1 422.484 2.568 50 0 HFAAMM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000328595933 569416071 /nfs/dbraw/zinc/41/60/71/569416071.db2.gz KXSCCHTWADFROD-JTQLQIEISA-N -1 1 405.297 2.634 50 0 HFAAMM COC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000079013511 569423654 /nfs/dbraw/zinc/42/36/54/569423654.db2.gz LZCCVGPOSFJDKH-KRWDZBQOSA-N -1 1 404.488 2.747 50 0 HFAAMM CCCCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000008587395 571083793 /nfs/dbraw/zinc/08/37/93/571083793.db2.gz SLJAUEPRDFEAAA-UHFFFAOYSA-N -1 1 401.488 2.946 50 0 HFAAMM CN1C(=O)[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CC[C@@H](c4ccccc4)C[C@@H]32)C1=O ZINC000008694611 571102599 /nfs/dbraw/zinc/10/25/99/571102599.db2.gz QPOIGTWOMRWABZ-OMXJDXKCSA-N -1 1 407.445 2.829 50 0 HFAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 ZINC000008977346 571198157 /nfs/dbraw/zinc/19/81/57/571198157.db2.gz JMMJFWXGCNVLEL-UHFFFAOYSA-N -1 1 413.499 2.741 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000009153199 571231357 /nfs/dbraw/zinc/23/13/57/571231357.db2.gz ZUDRXLYZCZMMAW-UHFFFAOYSA-N -1 1 407.451 2.987 50 0 HFAAMM CC1(C)COc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2NC1=O ZINC000009168777 571233479 /nfs/dbraw/zinc/23/34/79/571233479.db2.gz PPDRHMFGRPCQAP-UHFFFAOYSA-N -1 1 404.444 2.616 50 0 HFAAMM CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc([O-])c3c(=O)c2OC(C)=O)cc1 ZINC000014757232 291216339 /nfs/dbraw/zinc/21/63/39/291216339.db2.gz DJKUFDVJACBQPB-UHFFFAOYSA-N -1 1 412.350 2.942 50 0 biogenic,in-vitro HFAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000004001647 132269550 /nfs/dbraw/zinc/26/95/50/132269550.db2.gz IPYFRVYXPVUONP-UHFFFAOYSA-N -1 1 402.472 2.963 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)N(C(C)=O)CCO3)cc1OC ZINC000006779565 132315882 /nfs/dbraw/zinc/31/58/82/132315882.db2.gz XUXDHEPULUJPAQ-UHFFFAOYSA-N -1 1 406.460 2.558 50 0 HFAAMM Cc1ccc([O-])c(C(=O)c2cnn(C(=O)CCN3CCN(c4ccccc4)CC3)c2)c1 ZINC000025562748 518189369 /nfs/dbraw/zinc/18/93/69/518189369.db2.gz OATWMXKZYHMBBH-UHFFFAOYSA-N -1 1 418.497 2.981 50 0 HFAAMM CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000032072095 525177128 /nfs/dbraw/zinc/17/71/28/525177128.db2.gz FPQSZZBWDDNUCX-FQEVSTJZSA-N -1 1 413.499 2.538 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000002857859 557408139 /nfs/dbraw/zinc/40/81/39/557408139.db2.gz WOUJYSOVQZAHRT-UHFFFAOYSA-N -1 1 412.533 2.917 50 0 HFAAMM COc1cc([C@@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)ccc1OCc1ccc(F)cc1 ZINC000004944814 557615752 /nfs/dbraw/zinc/61/57/52/557615752.db2.gz YDWUPDOMXZZZPU-AWEZNQCLSA-N -1 1 410.405 2.553 50 0 HFAAMM Cn1c2ccc([N-]S(=O)(=O)c3ccccc3)cc2nc1CCn1ccccc1=O ZINC000006664976 557712979 /nfs/dbraw/zinc/71/29/79/557712979.db2.gz UCPXEJZLFXNTMA-UHFFFAOYSA-N -1 1 408.483 2.779 50 0 HFAAMM COC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000010112592 557855686 /nfs/dbraw/zinc/85/56/86/557855686.db2.gz FZXJPBARJAPXFP-UHFFFAOYSA-N -1 1 416.499 2.821 50 0 HFAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000012975350 558490994 /nfs/dbraw/zinc/49/09/94/558490994.db2.gz VLPBNVCZXKUYPF-GJZGRUSLSA-N -1 1 401.532 2.939 50 0 HFAAMM CCS(=O)(=O)Nc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C ZINC000072310086 558779441 /nfs/dbraw/zinc/77/94/41/558779441.db2.gz MORYBTWLNSMMSM-UHFFFAOYSA-N -1 1 406.508 2.698 50 0 HFAAMM O=c1ccc(-c2ccc(F)cc2)nn1CCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000013799440 558883367 /nfs/dbraw/zinc/88/33/67/558883367.db2.gz KQPGIRHPSGUXOF-UHFFFAOYSA-N -1 1 423.416 2.696 50 0 HFAAMM COc1cc(-c2c3sc(=O)nc-3[nH]c3c2c(=O)[n-]n3C(C)C)cc(OC)c1O ZINC000072403906 558968281 /nfs/dbraw/zinc/96/82/81/558968281.db2.gz QWNOPNUQOVZJCI-UHFFFAOYSA-N -1 1 402.432 2.598 50 0 HFAAMM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCN(Cc3cc(F)cc(F)c3)CC1)C2 ZINC000067562689 558987316 /nfs/dbraw/zinc/98/73/16/558987316.db2.gz KTIQAMCOKQXNIS-SFHVURJKSA-N -1 1 418.488 2.945 50 0 HFAAMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 ZINC000004742801 559044661 /nfs/dbraw/zinc/04/46/61/559044661.db2.gz FNCAYLJNUNSLOP-UHFFFAOYSA-N -1 1 402.476 2.604 50 0 HFAAMM CN1C(=O)[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@@H]32)C1=O ZINC000248049152 559275089 /nfs/dbraw/zinc/27/50/89/559275089.db2.gz QPOIGTWOMRWABZ-TUVUNVSASA-N -1 1 407.445 2.829 50 0 HFAAMM 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2.585 50 0 HFAAMM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1 ZINC000035479125 569038477 /nfs/dbraw/zinc/03/84/77/569038477.db2.gz BJFAEOIFXZJXEK-UHFFFAOYSA-N -1 1 421.500 2.715 50 0 HFAAMM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000035588223 569046213 /nfs/dbraw/zinc/04/62/13/569046213.db2.gz KYSSWEXHJZCEAB-UHFFFAOYSA-N -1 1 404.488 2.658 50 0 HFAAMM COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)ccc21 ZINC000064818704 569101487 /nfs/dbraw/zinc/10/14/87/569101487.db2.gz PSIXSYYCMKTNAS-UHFFFAOYSA-N -1 1 410.835 2.530 50 0 HFAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2oc1=O ZINC000064818905 569101750 /nfs/dbraw/zinc/10/17/50/569101750.db2.gz IJOFNZHWCLXSPV-UHFFFAOYSA-N -1 1 404.444 2.657 50 0 HFAAMM CN(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000006752724 569111387 /nfs/dbraw/zinc/11/13/87/569111387.db2.gz JAHOSWLVZARMFD-ZILOHOTNSA-N -1 1 421.497 2.980 50 0 HFAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C)n2)c1 ZINC000064946856 569128547 /nfs/dbraw/zinc/12/85/47/569128547.db2.gz FKWNYGDTSRDWFH-UHFFFAOYSA-N -1 1 414.443 2.697 50 0 HFAAMM O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000036352703 569147450 /nfs/dbraw/zinc/14/74/50/569147450.db2.gz DVEWREXLPJMVPI-FQEVSTJZSA-N -1 1 413.499 2.731 50 0 HFAAMM O=C([C@H]1COc2cc(S(=O)(=O)[N-]c3ccccc3)ccc2O1)N1CCCCC1 ZINC000006914013 569179808 /nfs/dbraw/zinc/17/98/08/569179808.db2.gz BQUTXSNMAWCVHD-LJQANCHMSA-N -1 1 402.472 2.640 50 0 HFAAMM COc1cc(OC)c(C=NN=C2NC(=O)C(CC(=O)[O-])S2)cc1Br ZINC000254398801 569254682 /nfs/dbraw/zinc/25/46/82/569254682.db2.gz QMDSPBQCRSRRAN-NSHDSACASA-N -1 1 416.253 2.703 50 0 HFAAMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=S)N=NC3C)c2)cc1 ZINC000253425247 569368203 /nfs/dbraw/zinc/36/82/03/569368203.db2.gz RKNCHVPCUOGVBV-UHFFFAOYSA-N -1 1 420.516 2.690 50 0 HFAAMM CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2C1 ZINC000008840388 571123499 /nfs/dbraw/zinc/12/34/99/571123499.db2.gz UMFVQAKPSDUKCD-UHFFFAOYSA-N -1 1 412.508 2.643 50 0 HFAAMM CSc1cccc(NC(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC000040138924 571188843 /nfs/dbraw/zinc/18/88/43/571188843.db2.gz ZHYUWPSFECPFEM-UHFFFAOYSA-N -1 1 400.503 2.637 50 0 HFAAMM Cc1nc(-c2ccc(CCNC(=O)CCc3n[nH]c(=S)[n-]c3=O)cc2)cs1 ZINC000010208612 571296597 /nfs/dbraw/zinc/29/65/97/571296597.db2.gz PLIPRCMGDAQAFF-UHFFFAOYSA-N -1 1 401.517 2.551 50 0 HFAAMM CCN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004149923 132272267 /nfs/dbraw/zinc/27/22/67/132272267.db2.gz XDPBHVVYPDPDPS-UHFFFAOYSA-N -1 1 411.531 2.881 50 0 HFAAMM Cc1c(NC(=O)CC([O-])(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000001125762 557195281 /nfs/dbraw/zinc/19/52/81/557195281.db2.gz DEEPBDWDIJZBHA-UHFFFAOYSA-N -1 1 411.302 2.669 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 ZINC000007881219 557766623 /nfs/dbraw/zinc/76/66/23/557766623.db2.gz AVWCHIGZUQOUQK-UHFFFAOYSA-N -1 1 410.879 2.622 50 0 HFAAMM 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COc1cc(C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1 ZINC000263625808 569317235 /nfs/dbraw/zinc/31/72/35/569317235.db2.gz PEJGFCSFZWSINY-QGZVFWFLSA-N -1 1 413.455 2.670 50 0 HFAAMM O=C(COc1ccccc1Br)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002970278 569322595 /nfs/dbraw/zinc/32/25/95/569322595.db2.gz XBORUMFNHFXSPD-UHFFFAOYSA-N -1 1 406.261 2.971 50 0 HFAAMM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000328595934 569416037 /nfs/dbraw/zinc/41/60/37/569416037.db2.gz KXSCCHTWADFROD-SNVBAGLBSA-N -1 1 405.297 2.634 50 0 HFAAMM CC[C@H](C)NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1OC)CC2 ZINC000067291271 571067225 /nfs/dbraw/zinc/06/72/25/571067225.db2.gz JXLMTVYWGAIIBN-AWEZNQCLSA-N -1 1 416.547 2.756 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC(=O)OC)cc2)cc1 ZINC000009338468 571249521 /nfs/dbraw/zinc/24/95/21/571249521.db2.gz RDQOGEDHGICIIQ-CQSZACIVSA-N -1 1 420.487 2.568 50 0 HFAAMM O=C(Cn1ccccc1=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000009832063 571287481 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401.488 2.945 50 0 HFAAMM Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012462422 558419351 /nfs/dbraw/zinc/41/93/51/558419351.db2.gz FSWHQLCUULSXFW-CYBMUJFWSA-N -1 1 415.471 2.642 50 0 HFAAMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012631259 558441813 /nfs/dbraw/zinc/44/18/13/558441813.db2.gz CWYKDVROGDKSCX-UHFFFAOYSA-N -1 1 402.476 2.577 50 0 HFAAMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000022903642 558519414 /nfs/dbraw/zinc/51/94/14/558519414.db2.gz YRNHYWCWNPXRFV-UHFFFAOYSA-N -1 1 414.468 2.874 50 0 HFAAMM Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(=O)[n-]3)[C@@H](c3ccco3)C2)cc1 ZINC000016046482 558770329 /nfs/dbraw/zinc/77/03/29/558770329.db2.gz QXZIBMBBXKOLTD-OAHLLOKOSA-N -1 1 409.471 2.724 50 0 HFAAMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c[nH]1 ZINC000058180275 558910122 /nfs/dbraw/zinc/91/01/22/558910122.db2.gz TZKFUKQMFNHBQX-UHFFFAOYSA-N -1 1 400.338 2.718 50 0 HFAAMM COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000023157353 559022278 /nfs/dbraw/zinc/02/22/78/559022278.db2.gz MTZGRRHKPRPMNO-HNNXBMFYSA-N -1 1 404.467 2.918 50 0 HFAAMM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205953543 559186860 /nfs/dbraw/zinc/18/68/60/559186860.db2.gz QCLQDKOTTFFKNM-CYBMUJFWSA-N -1 1 418.833 2.766 50 0 HFAAMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2n(CC)c(=O)c1=O ZINC000004884305 559197620 /nfs/dbraw/zinc/19/76/20/559197620.db2.gz NNELCSLDFVVTBE-UHFFFAOYSA-N -1 1 401.488 2.621 50 0 HFAAMM Cc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000005075794 559240874 /nfs/dbraw/zinc/24/08/74/559240874.db2.gz LYLRGMZMLDAESS-UHFFFAOYSA-N -1 1 400.909 2.989 50 0 HFAAMM COc1ccc(N2N=C(C(C)=O)[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C32)cc1 ZINC000005180602 559289638 /nfs/dbraw/zinc/28/96/38/559289638.db2.gz NBMUROVNAAZXJE-IEBWSBKVSA-N -1 1 411.845 2.980 50 0 HFAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000005294175 560562178 /nfs/dbraw/zinc/56/21/78/560562178.db2.gz ZSDYLMOSIDNVNM-QGZVFWFLSA-N -1 1 414.531 2.735 50 0 HFAAMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000005557598 560614135 /nfs/dbraw/zinc/61/41/35/560614135.db2.gz CYTYPFNVWZUELI-UHFFFAOYSA-N -1 1 402.394 2.882 50 0 HFAAMM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2[O-])C[C@H]1c1cccs1 ZINC000101456565 560795478 /nfs/dbraw/zinc/79/54/78/560795478.db2.gz PNKOQWISAVJFRN-INIZCTEOSA-N -1 1 424.482 2.607 50 0 HFAAMM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=S)n(C)c2[O-])=NN1C(=O)CC ZINC000101495273 560796381 /nfs/dbraw/zinc/79/63/81/560796381.db2.gz FZTFRAHSPGEXSF-ZDUSSCGKSA-N -1 1 402.476 2.635 50 0 HFAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)C[C@@H]1c1ccccc1 ZINC000101764941 560799470 /nfs/dbraw/zinc/79/94/70/560799470.db2.gz CWIHLKPURHDYPZ-QGZVFWFLSA-N -1 1 410.474 2.835 50 0 HFAAMM COC(=O)c1ccc([C@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102627948 560818524 /nfs/dbraw/zinc/81/85/24/560818524.db2.gz CQIPNYUTQSZYGA-CQSZACIVSA-N -1 1 400.394 2.688 50 0 HFAAMM COc1ccc(Cl)cc1N1C(=O)[C@H]2C(c3cccc(OC)c3OC)=NOC2=C1[O-] ZINC000102888594 560832774 /nfs/dbraw/zinc/83/27/74/560832774.db2.gz NKTABOJNWQMFFW-MAUKXSAKSA-N -1 1 416.817 2.658 50 0 HFAAMM CN(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000103684102 560843867 /nfs/dbraw/zinc/84/38/67/560843867.db2.gz JAHOSWLVZARMFD-NHCICSSKSA-N -1 1 421.497 2.980 50 0 HFAAMM C[C@H](Oc1ccccc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000012129636 560889901 /nfs/dbraw/zinc/88/99/01/560889901.db2.gz YZIGGOBLRUQLKJ-ZDUSSCGKSA-N -1 1 405.458 2.728 50 0 HFAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2NS(C)(=O)=O)c1 ZINC000024896219 568480184 /nfs/dbraw/zinc/48/01/84/568480184.db2.gz IHYYBGAJFGKFKF-UHFFFAOYSA-N -1 1 417.516 2.926 50 0 HFAAMM CN(Cc1cccnc1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000095461712 568620911 /nfs/dbraw/zinc/62/09/11/568620911.db2.gz XZHJVBAJOXFOOH-UHFFFAOYSA-N -1 1 422.721 2.979 50 0 HFAAMM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1C ZINC000020757056 568641413 /nfs/dbraw/zinc/64/14/13/568641413.db2.gz KDIABRVWBLQVNH-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1ccc(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1C ZINC000020757056 568641416 /nfs/dbraw/zinc/64/14/16/568641416.db2.gz KDIABRVWBLQVNH-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1 ZINC000020758950 568641794 /nfs/dbraw/zinc/64/17/94/568641794.db2.gz UWBZOTIAJMWTEI-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1cc(C)cc(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000020758950 568641798 /nfs/dbraw/zinc/64/17/98/568641798.db2.gz UWBZOTIAJMWTEI-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM C[C@H](c1ccccc1)n1c(=O)[nH]c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O ZINC000020757547 568641910 /nfs/dbraw/zinc/64/19/10/568641910.db2.gz NVQXNLLUIAOHIL-SPLOXXLWSA-N -1 1 416.481 2.910 50 0 biogenic HFAAMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012652271 568906688 /nfs/dbraw/zinc/90/66/88/568906688.db2.gz RZUVGQAJDHRNSC-UHFFFAOYSA-N -1 1 402.501 2.796 50 0 HFAAMM Cc1ccc([O-])c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1 ZINC000084146408 568940203 /nfs/dbraw/zinc/94/02/03/568940203.db2.gz XLWQZZUIBZVBCL-UHFFFAOYSA-N -1 1 420.556 2.788 50 0 HFAAMM CCN(CC)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000008130192 568975052 /nfs/dbraw/zinc/97/50/52/568975052.db2.gz YVBOXTVVXMGLSO-KRWDZBQOSA-N -1 1 416.547 2.981 50 0 HFAAMM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cc21 ZINC000015720698 568976456 /nfs/dbraw/zinc/97/64/56/568976456.db2.gz UKTDUHGCDMRVQO-UHFFFAOYSA-N -1 1 424.475 2.547 50 0 HFAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)N2CCCC2)c1 ZINC000008278384 568987173 /nfs/dbraw/zinc/98/71/73/568987173.db2.gz YKAUYEQBNBOXTP-KRWDZBQOSA-N -1 1 414.531 2.735 50 0 HFAAMM COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3ccc([O-])cc3oc1=O)CC2 ZINC000012900972 569020702 /nfs/dbraw/zinc/02/07/02/569020702.db2.gz YOPLCFZUZGEEBP-UHFFFAOYSA-N -1 1 409.438 2.952 50 0 biogenic HFAAMM CCc1ccc(S(=O)(=O)[N-]c2cnc(N(CC)CC[NH+](C)C)c(C(=O)[O-])c2)cc1 ZINC000035397476 569034911 /nfs/dbraw/zinc/03/49/11/569034911.db2.gz NUYWBQSJMYDWAC-UHFFFAOYSA-N -1 1 420.535 2.531 50 0 HFAAMM CC(=O)Oc1ccc2c(c1)occ([C@@H]1N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O ZINC000001830143 569056356 /nfs/dbraw/zinc/05/63/56/569056356.db2.gz QLPUCPGOPUIEDP-RXVVDRJESA-N -1 1 418.405 2.888 50 0 biogenic HFAAMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000054294697 569070053 /nfs/dbraw/zinc/07/00/53/569070053.db2.gz WPRABRASNYIISB-UHFFFAOYSA-N -1 1 400.250 2.886 50 0 HFAAMM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3oc2=O)no1 ZINC000064947146 569129244 /nfs/dbraw/zinc/12/92/44/569129244.db2.gz BIASERLLDYUYNP-UHFFFAOYSA-N -1 1 414.443 2.697 50 0 HFAAMM O=C([C@@H]1COc2cc(S(=O)(=O)[N-]c3ccccc3)ccc2O1)N1CCCCC1 ZINC000006914020 569179927 /nfs/dbraw/zinc/17/99/27/569179927.db2.gz BQUTXSNMAWCVHD-IBGZPJMESA-N -1 1 402.472 2.640 50 0 HFAAMM CC(=O)C(Sc1nnc(CSc2ccc(-n3nc(C)cc3C)nn2)o1)=C(C)[O-] ZINC000524732397 569212617 /nfs/dbraw/zinc/21/26/17/569212617.db2.gz YXSQCUQXUIKMGH-UHFFFAOYSA-N -1 1 418.504 2.593 50 0 HFAAMM CCOc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)c(CC)c(=O)[n-]2)cc1 ZINC000007422096 569237622 /nfs/dbraw/zinc/23/76/22/569237622.db2.gz DRHQDQWLDRAQOD-UHFFFAOYSA-N -1 1 411.462 2.551 50 0 HFAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1 ZINC000007428200 569238547 /nfs/dbraw/zinc/23/85/47/569238547.db2.gz JJXZQJHMDKFXSB-UHFFFAOYSA-N -1 1 403.485 2.656 50 0 HFAAMM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)cc1Br ZINC000170602148 569243845 /nfs/dbraw/zinc/24/38/45/569243845.db2.gz VSCQJIDUIRAVCB-UHFFFAOYSA-N -1 1 416.249 2.965 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1F ZINC000013696722 569257052 /nfs/dbraw/zinc/25/70/52/569257052.db2.gz LSOSEESYNFAMEA-LJQANCHMSA-N -1 1 420.462 2.703 50 0 HFAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000016849667 569265677 /nfs/dbraw/zinc/26/56/77/569265677.db2.gz MGEQUUTWYTWSTP-OAHLLOKOSA-N -1 1 407.518 2.951 50 0 HFAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)NCc1c(F)cccc1F ZINC000016981236 569270315 /nfs/dbraw/zinc/27/03/15/569270315.db2.gz JBWJMQXEXWCJQQ-UHFFFAOYSA-N -1 1 415.444 2.716 50 0 HFAAMM COc1ccc2[nH]c(C(=O)[O-])c(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2c1 ZINC000002208248 569297042 /nfs/dbraw/zinc/29/70/42/569297042.db2.gz VZJBHHOXDZROQU-UHFFFAOYSA-N -1 1 406.416 2.693 50 0 HFAAMM COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc(OC)c1OC ZINC000008767201 571115617 /nfs/dbraw/zinc/11/56/17/571115617.db2.gz JIKSRDUERLKWAR-CQSZACIVSA-N -1 1 407.426 2.937 50 0 HFAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccnc1-n1cncn1 ZINC000040108856 571168328 /nfs/dbraw/zinc/16/83/28/571168328.db2.gz IOSGLDLYMRDCDY-UHFFFAOYSA-N -1 1 420.454 2.715 50 0 HFAAMM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000040144800 571195026 /nfs/dbraw/zinc/19/50/26/571195026.db2.gz JZPCXLFTKAURTB-UHFFFAOYSA-N -1 1 420.535 2.997 50 0 HFAAMM CCOc1ccc(CN2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])CC2)cc1 ZINC000040145125 571195230 /nfs/dbraw/zinc/19/52/30/571195230.db2.gz KEMVTIVYZADIEE-UHFFFAOYSA-N -1 1 406.486 2.588 50 0 HFAAMM CCOc1ccc(CN2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CC2)cc1 ZINC000040145125 571195231 /nfs/dbraw/zinc/19/52/31/571195231.db2.gz KEMVTIVYZADIEE-UHFFFAOYSA-N -1 1 406.486 2.588 50 0 HFAAMM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nn1 ZINC000009650617 571276715 /nfs/dbraw/zinc/27/67/15/571276715.db2.gz DXWBNXFFCMEYJE-UHFFFAOYSA-N -1 1 421.475 2.877 50 0 HFAAMM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2C1=O ZINC000009828167 571286753 /nfs/dbraw/zinc/28/67/53/571286753.db2.gz NIISICFWQPWEDD-UHFFFAOYSA-N -1 1 411.277 2.714 50 0 HFAAMM CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000005136865 132303049 /nfs/dbraw/zinc/30/30/49/132303049.db2.gz HDDJPGGZYLLOOL-UHFFFAOYSA-N -1 1 400.909 2.853 50 0 HFAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc21 ZINC000032943743 519605469 /nfs/dbraw/zinc/60/54/69/519605469.db2.gz QWPIMPOGSSSEDO-UHFFFAOYSA-N -1 1 406.485 2.717 50 0 HFAAMM COc1ccc2cc(OCC(=O)Nn3c(=O)c4ccccc4[n-]c3=S)ccc2c1 ZINC000002789496 557759466 /nfs/dbraw/zinc/75/94/66/557759466.db2.gz OFZCIXVLGNPCRZ-UHFFFAOYSA-N -1 1 407.451 2.996 50 0 HFAAMM Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000022322964 558478215 /nfs/dbraw/zinc/47/82/15/558478215.db2.gz OHBWACRFNIBFJD-UHFFFAOYSA-N -1 1 408.907 2.937 50 0 HFAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000013006274 558502024 /nfs/dbraw/zinc/50/20/24/558502024.db2.gz UQAVIVCHCPVPKY-UHFFFAOYSA-N -1 1 424.473 2.801 50 0 HFAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCn3ccnc3)cc2)ccc1F ZINC000023238730 558544948 /nfs/dbraw/zinc/54/49/48/558544948.db2.gz GXMYOUCZVQLDIP-UHFFFAOYSA-N -1 1 416.478 2.952 50 0 HFAAMM CCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1=O ZINC000004688044 558898856 /nfs/dbraw/zinc/89/88/56/558898856.db2.gz NRUWLRGVISEMAX-UHFFFAOYSA-N -1 1 413.499 2.801 50 0 HFAAMM CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058194667 558910729 /nfs/dbraw/zinc/91/07/29/558910729.db2.gz ILWCDJDFSTUMAM-MRXNPFEDSA-N -1 1 404.492 2.571 50 0 HFAAMM COc1cccc(CSc2nc(CC(=O)Nc3nnc(C)s3)cc(=O)[n-]2)c1 ZINC000023138137 559018521 /nfs/dbraw/zinc/01/85/21/559018521.db2.gz AWHMTXZOPMXBTA-UHFFFAOYSA-N -1 1 403.489 2.824 50 0 HFAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(S(C)(=O)=O)sc3c2)cc1 ZINC000033298996 559048283 /nfs/dbraw/zinc/04/82/83/559048283.db2.gz FSBFYUNBROVDMB-UHFFFAOYSA-N -1 1 410.498 2.703 50 0 HFAAMM O=S(=O)([N-]c1cccc(N2CCCS2(=O)=O)c1)c1ccc2c(c1)CCCC2 ZINC000005075762 559240881 /nfs/dbraw/zinc/24/08/81/559240881.db2.gz OPULLYAMKOSFIP-UHFFFAOYSA-N -1 1 406.529 2.906 50 0 HFAAMM C[C@@H](NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000101045635 560767641 /nfs/dbraw/zinc/76/76/41/560767641.db2.gz XSKJOVLPHKVQIX-GFCCVEGCSA-N -1 1 417.487 2.762 50 0 HFAAMM C[C@@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000101045635 560767643 /nfs/dbraw/zinc/76/76/43/560767643.db2.gz XSKJOVLPHKVQIX-GFCCVEGCSA-N -1 1 417.487 2.762 50 0 HFAAMM O=C(c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)N1CCOCC1 ZINC000101282295 560790535 /nfs/dbraw/zinc/79/05/35/560790535.db2.gz BEEUFPXWUFDUME-UHFFFAOYSA-N -1 1 408.845 2.944 50 0 HFAAMM O=C(NC[C@H]1CCCO1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000102907995 560835171 /nfs/dbraw/zinc/83/51/71/560835171.db2.gz SFRGRYOGEDICSF-MRXNPFEDSA-N -1 1 406.417 2.867 50 0 HFAAMM Cc1cc([O-])c2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000020412545 568605687 /nfs/dbraw/zinc/60/56/87/568605687.db2.gz PFVXJWHXGXHXBK-UHFFFAOYSA-N -1 1 408.454 2.854 50 0 HFAAMM O=C(CCn1ccc2cc(Br)ccc21)Nc1nc([C@@H]2CCCO2)n[n-]1 ZINC000095472973 568628286 /nfs/dbraw/zinc/62/82/86/568628286.db2.gz ZGUNDJHBGKVGHO-AWEZNQCLSA-N -1 1 404.268 2.824 50 0 HFAAMM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c(C)c1 ZINC000020611791 568637478 /nfs/dbraw/zinc/63/74/78/568637478.db2.gz AHRLHYIXURXMKX-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1ccc(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c(C)c1 ZINC000020611791 568637479 /nfs/dbraw/zinc/63/74/79/568637479.db2.gz AHRLHYIXURXMKX-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 ZINC000020611935 568637629 /nfs/dbraw/zinc/63/76/29/568637629.db2.gz QIMRYSYVBQAQQB-FQEVSTJZSA-N -1 1 402.454 2.598 50 0 biogenic HFAAMM Cc1ccc(-n2c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000020611935 568637631 /nfs/dbraw/zinc/63/76/31/568637631.db2.gz QIMRYSYVBQAQQB-FQEVSTJZSA-N -1 1 402.454 2.598 50 0 biogenic HFAAMM O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000020935929 568652270 /nfs/dbraw/zinc/65/22/70/568652270.db2.gz SMHWFBWGAOHPRF-UHFFFAOYSA-N -1 1 411.414 2.818 50 0 HFAAMM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 ZINC000021533803 568711587 /nfs/dbraw/zinc/71/15/87/568711587.db2.gz ZMWWGEDCSOIXGU-UHFFFAOYSA-N -1 1 403.485 2.656 50 0 HFAAMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccccc1OC(F)(F)F)OCCO2 ZINC000012544757 568849676 /nfs/dbraw/zinc/84/96/76/568849676.db2.gz OMJBHGHHQHWUNX-UHFFFAOYSA-N -1 1 419.333 2.855 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000012557077 568856195 /nfs/dbraw/zinc/85/61/95/568856195.db2.gz DFHCYKKMVPCYLN-SFHVURJKSA-N -1 1 404.488 2.795 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000012557078 568856223 /nfs/dbraw/zinc/85/62/23/568856223.db2.gz DFHCYKKMVPCYLN-GOSISDBHSA-N -1 1 404.488 2.795 50 0 HFAAMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003440967 568859561 /nfs/dbraw/zinc/85/95/61/568859561.db2.gz AGOFBXAJSYOPBF-UHFFFAOYSA-N -1 1 408.423 2.757 50 0 HFAAMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000013670679 569004874 /nfs/dbraw/zinc/00/48/74/569004874.db2.gz DKBXSYYJXUBMDD-UHFFFAOYSA-N -1 1 416.499 2.821 50 0 HFAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(I)cc3)cc2o1 ZINC000006142825 569014408 /nfs/dbraw/zinc/01/44/08/569014408.db2.gz URMUEZMEGDVBMJ-UHFFFAOYSA-N -1 1 416.196 2.527 50 0 HFAAMM O=c1cc(CSc2nc3ccccc3c(=O)n2CCCO)c2ccc([O-])cc2o1 ZINC000006366354 569046058 /nfs/dbraw/zinc/04/60/58/569046058.db2.gz HANOPRNOWKICQY-UHFFFAOYSA-N -1 1 410.451 2.883 50 0 HFAAMM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2C(=O)[O-])c1 ZINC000064461931 569063145 /nfs/dbraw/zinc/06/31/45/569063145.db2.gz DTGZDZJFKZFIHJ-UHFFFAOYSA-N -1 1 403.504 2.554 50 0 HFAAMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000006604529 569070811 /nfs/dbraw/zinc/07/08/11/569070811.db2.gz HNXWEFATNIKTSK-UHFFFAOYSA-N -1 1 414.487 2.720 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1OC ZINC000064787700 569094347 /nfs/dbraw/zinc/09/43/47/569094347.db2.gz QVAHSOBBPJGVPV-UHFFFAOYSA-N -1 1 401.444 2.563 50 0 HFAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3CC)cc2oc1=O ZINC000064818846 569101593 /nfs/dbraw/zinc/10/15/93/569101593.db2.gz SSWSYZCMBRFUSI-UHFFFAOYSA-N -1 1 418.471 2.911 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3oc2=O)no1 ZINC000064946828 569128555 /nfs/dbraw/zinc/12/85/55/569128555.db2.gz QIPVZDJNSHGICC-UHFFFAOYSA-N -1 1 420.834 2.788 50 0 HFAAMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1)n(C)c(=O)c(=O)n2C ZINC000006913868 569179802 /nfs/dbraw/zinc/17/98/02/569179802.db2.gz HCZGRUJADJNNJB-UHFFFAOYSA-N -1 1 415.515 2.545 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1C ZINC000007428203 569238582 /nfs/dbraw/zinc/23/85/82/569238582.db2.gz CXGSCYQEDOQRMQ-UHFFFAOYSA-N -1 1 417.512 2.965 50 0 HFAAMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c(Cl)c1 ZINC000328593924 569415673 /nfs/dbraw/zinc/41/56/73/569415673.db2.gz ANXJLOIGCXPCKA-UHFFFAOYSA-N -1 1 424.841 2.956 50 0 HFAAMM CC[C@@H](C)NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291500 571067317 /nfs/dbraw/zinc/06/73/17/571067317.db2.gz IAQZQVNHBFKLOK-CYBMUJFWSA-N -1 1 404.511 2.886 50 0 HFAAMM C[C@@]1(c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)NC(=O)NC1=O ZINC000040081891 571156224 /nfs/dbraw/zinc/15/62/24/571156224.db2.gz PUPIBMLVYGPDBU-INIZCTEOSA-N -1 1 414.270 2.849 50 0 HFAAMM Cc1oncc1C(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000040156193 571203492 /nfs/dbraw/zinc/20/34/92/571203492.db2.gz LWYGRSSEVHTQIE-UHFFFAOYSA-N -1 1 421.457 2.866 50 0 HFAAMM O=C1N[C@H](c2ccc3ncccc3c2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000009090205 571220212 /nfs/dbraw/zinc/22/02/12/571220212.db2.gz XWXKKXXUMRPDTL-MDZRGWNJSA-N -1 1 416.359 2.734 50 0 HFAAMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000032906716 525265157 /nfs/dbraw/zinc/26/51/57/525265157.db2.gz JYRVGHIYFNRJFD-UHFFFAOYSA-N -1 1 409.485 2.932 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N[C@H](C)C(=O)N3CCOCC3)c2)cc1C ZINC000032738531 525615146 /nfs/dbraw/zinc/61/51/46/525615146.db2.gz NKWQXPZIEXBSTK-QGZVFWFLSA-N -1 1 417.531 2.763 50 0 HFAAMM O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002791208 557764073 /nfs/dbraw/zinc/76/40/73/557764073.db2.gz LWJFLMPFGWSPMW-UHFFFAOYSA-N -1 1 409.393 2.548 50 0 HFAAMM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000020738213 558408385 /nfs/dbraw/zinc/40/83/85/558408385.db2.gz LBGOTZDEJGFRCK-NRFANRHFSA-N -1 1 410.449 2.689 50 0 HFAAMM CC1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000004486841 558604037 /nfs/dbraw/zinc/60/40/37/558604037.db2.gz JBWZUOCWJWRNEP-UHFFFAOYSA-N -1 1 416.499 2.903 50 0 HFAAMM CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000004486779 558604096 /nfs/dbraw/zinc/60/40/96/558604096.db2.gz HWEIFAMAMYSHQP-OAHLLOKOSA-N -1 1 404.488 2.805 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1 ZINC000015421351 558739597 /nfs/dbraw/zinc/73/95/97/558739597.db2.gz KDHORJZPCPJNIY-UHFFFAOYSA-N -1 1 415.515 2.538 50 0 HFAAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC2(CN(C[C@@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000072480728 558984112 /nfs/dbraw/zinc/98/41/12/558984112.db2.gz IFPDYJMQMCJEQS-OAHLLOKOSA-N -1 1 412.490 2.583 50 0 HFAAMM COc1cc(/C=C2\NC(=S)[N-]C2=O)cc(Br)c1OCc1ccccn1 ZINC000033349522 559066824 /nfs/dbraw/zinc/06/68/24/559066824.db2.gz QJATVGIQQCONMF-QPEQYQDCSA-N -1 1 420.288 2.777 50 0 HFAAMM CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2oc1=O ZINC000004884235 559197605 /nfs/dbraw/zinc/19/76/05/559197605.db2.gz SPBAHRODRHCSNS-UHFFFAOYSA-N -1 1 404.444 2.575 50 0 HFAAMM O=c1[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1ccccc1Cl ZINC000100758512 559264439 /nfs/dbraw/zinc/26/44/39/559264439.db2.gz IWVPSWPFEBJCCP-SFHVURJKSA-N -1 1 408.845 2.601 50 0 biogenic HFAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H]3OC)c2)cc1 ZINC000225469141 568640664 /nfs/dbraw/zinc/64/06/64/568640664.db2.gz YGKRECFUOHGAOJ-MOPGFXCFSA-N -1 1 404.488 2.793 50 0 HFAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cc(Br)c[nH]1 ZINC000021006445 568657710 /nfs/dbraw/zinc/65/77/10/568657710.db2.gz RIDPLFHSDIPJOC-UHFFFAOYSA-N -1 1 414.281 2.520 50 0 HFAAMM Cc1nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]c(=O)c1CCO ZINC000012415034 568717572 /nfs/dbraw/zinc/71/75/72/568717572.db2.gz IFBTWZLZBULBKX-UHFFFAOYSA-N -1 1 412.393 2.974 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N(C)C ZINC000018708115 568738509 /nfs/dbraw/zinc/73/85/09/568738509.db2.gz QMVMCYPQJIWHMN-UHFFFAOYSA-N -1 1 424.544 2.625 50 0 HFAAMM O=C1N[C@H](c2ccc3ncccc3c2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000012524386 568842443 /nfs/dbraw/zinc/84/24/43/568842443.db2.gz XWXKKXXUMRPDTL-GPMSIDNRSA-N -1 1 416.359 2.734 50 0 HFAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@H](CC(N)=O)c2cc3ccccc3[nH]c2=O)cc1 ZINC000263587712 568883388 /nfs/dbraw/zinc/88/33/88/568883388.db2.gz KIPXXEQEJVBQPR-MRXNPFEDSA-N -1 1 418.453 2.564 50 0 HFAAMM COc1ccccc1-n1c(O)c2n(-c3cccc(Cl)c3C)[n-]c(C(C)=O)c-2c1=O ZINC000004281889 568959122 /nfs/dbraw/zinc/95/91/22/568959122.db2.gz CQGUKWUAXGSPKF-HKUYNNGSSA-N -1 1 411.845 2.980 50 0 HFAAMM COCCn1cc(C(=O)c2cc(OC)ccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000008217130 568983168 /nfs/dbraw/zinc/98/31/68/568983168.db2.gz NMYFCGBXJUBJFM-UHFFFAOYSA-N -1 1 419.437 2.983 50 0 HFAAMM CC(=O)Oc1ccc2c(c1)occ([C@H]1N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O ZINC000001830146 569056313 /nfs/dbraw/zinc/05/63/13/569056313.db2.gz QLPUCPGOPUIEDP-WIYYLYMNSA-N -1 1 418.405 2.888 50 0 biogenic HFAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2oc1=O ZINC000064818871 569101641 /nfs/dbraw/zinc/10/16/41/569101641.db2.gz SJZVFCRLQHLXPM-UHFFFAOYSA-N -1 1 418.471 2.965 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3oc2=O)no1 ZINC000064946847 569128496 /nfs/dbraw/zinc/12/84/96/569128496.db2.gz IEDOCGOBOJOJGO-UHFFFAOYSA-N -1 1 414.443 2.752 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3oc2=O)no1 ZINC000064946846 569128517 /nfs/dbraw/zinc/12/85/17/569128517.db2.gz JASCZBZTXGUTEG-UHFFFAOYSA-N -1 1 414.443 2.752 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3oc2=O)no1 ZINC000064947127 569129148 /nfs/dbraw/zinc/12/91/48/569129148.db2.gz RDEMGCVVKDGSGI-UHFFFAOYSA-N -1 1 414.443 2.752 50 0 HFAAMM O=C(Nc1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000064991745 569149064 /nfs/dbraw/zinc/14/90/64/569149064.db2.gz OXWBYBYEUQIVSQ-UHFFFAOYSA-N -1 1 410.427 2.547 50 0 HFAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NC[C@@H]1CCCOC1 ZINC000170649002 569292405 /nfs/dbraw/zinc/29/24/05/569292405.db2.gz LQZZHSPMXBCECF-INIZCTEOSA-N -1 1 406.479 2.712 50 0 HFAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2cccc(Cl)c2)o1 ZINC000040113597 571171542 /nfs/dbraw/zinc/17/15/42/571171542.db2.gz LJWBMISZBQMHHP-UHFFFAOYSA-N -1 1 400.884 2.819 50 0 HFAAMM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 ZINC000008977374 571198150 /nfs/dbraw/zinc/19/81/50/571198150.db2.gz ZKSDLLPQWOPSCY-UHFFFAOYSA-N -1 1 414.483 2.553 50 0 HFAAMM Cc1nnsc1C(=O)[N-]c1nnc(SCC(=O)OCc2ccccc2)s1 ZINC000070634969 571270274 /nfs/dbraw/zinc/27/02/74/571270274.db2.gz IEDPGIMKQAHKDE-UHFFFAOYSA-N -1 1 407.502 2.786 50 0 HFAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000002637571 132256063 /nfs/dbraw/zinc/25/60/63/132256063.db2.gz LIZQSHIGMOBWCQ-UHFFFAOYSA-N -1 1 409.895 2.936 50 0 HFAAMM CC(=O)c1ccc(N2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])CC2)c(F)c1 ZINC000032921993 518349510 /nfs/dbraw/zinc/34/95/10/518349510.db2.gz ZIKCRCIBGPTGDF-UHFFFAOYSA-N -1 1 408.433 2.536 50 0 HFAAMM CC(=O)c1ccc(N2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CC2)c(F)c1 ZINC000032921993 518349519 /nfs/dbraw/zinc/34/95/19/518349519.db2.gz ZIKCRCIBGPTGDF-UHFFFAOYSA-N -1 1 408.433 2.536 50 0 HFAAMM COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000040313034 525438055 /nfs/dbraw/zinc/43/80/55/525438055.db2.gz GTERNVCETCJXAC-FPOVZHCZSA-N -1 1 420.469 2.771 50 0 biogenic HFAAMM Cn1cc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1C(=O)[O-] ZINC000032765612 527290300 /nfs/dbraw/zinc/29/03/00/527290300.db2.gz WNWDQADTRVCEJK-UHFFFAOYSA-N -1 1 402.457 2.900 50 0 HFAAMM O=C1C(O)N(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)C(=O)N1C1CC1 ZINC000032932364 527493514 /nfs/dbraw/zinc/49/35/14/527493514.db2.gz JNWASZGOTQTAMS-UHFFFAOYSA-N -1 1 421.862 2.839 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000000810444 557087588 /nfs/dbraw/zinc/08/75/88/557087588.db2.gz OKZFWUSUIHGKLC-UHFFFAOYSA-N -1 1 410.517 2.589 50 0 HFAAMM CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000004999525 557623675 /nfs/dbraw/zinc/62/36/75/557623675.db2.gz ACQMJBPUSHFZBH-LBPRGKRZSA-N -1 1 401.488 2.945 50 0 HFAAMM O=C([O-])[C@@H]1CCCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C1 ZINC000020724943 558404434 /nfs/dbraw/zinc/40/44/34/558404434.db2.gz JFPIKSSAWHOXHY-OAHLLOKOSA-N -1 1 423.421 2.868 50 0 biogenic HFAAMM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccccc3Br)C2=O)c1 ZINC000012790838 558465635 /nfs/dbraw/zinc/46/56/35/558465635.db2.gz FRHGOCAGPWAUAY-GOSISDBHSA-N -1 1 418.247 2.570 50 0 HFAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000023021884 558530503 /nfs/dbraw/zinc/53/05/03/558530503.db2.gz UNQDONXPVISKDS-FQEVSTJZSA-N -1 1 416.497 2.500 50 0 HFAAMM CSc1nc(C)c(CCC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c(=O)[n-]1 ZINC000029045550 558708712 /nfs/dbraw/zinc/70/87/12/558708712.db2.gz VTUOLBXSOROXII-INIZCTEOSA-N -1 1 408.955 2.805 50 0 HFAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCC4)c2)cc1 ZINC000022959779 558757605 /nfs/dbraw/zinc/75/76/05/558757605.db2.gz URMDQEUMDXSDHF-UHFFFAOYSA-N -1 1 423.498 2.819 50 0 HFAAMM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)CC1 ZINC000033274724 558764303 /nfs/dbraw/zinc/76/43/03/558764303.db2.gz WXXKFZYPBVDVKP-UHFFFAOYSA-N -1 1 402.516 2.980 50 0 HFAAMM CCCCOCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000033028575 558852384 /nfs/dbraw/zinc/85/23/84/558852384.db2.gz SWSVPMRECGFUAZ-GFCCVEGCSA-N -1 1 411.351 2.983 50 0 HFAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 ZINC000100937746 559142092 /nfs/dbraw/zinc/14/20/92/559142092.db2.gz HNIVCONXPLZXGL-YADHBBJMSA-N -1 1 406.486 2.743 50 0 HFAAMM COc1ccc(OC)c(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000101046285 560767696 /nfs/dbraw/zinc/76/76/96/560767696.db2.gz XYQFHGWARHKVKS-UHFFFAOYSA-N -1 1 405.476 2.812 50 0 HFAAMM COc1ccc(C=CC(=O)Nc2cc(C3CC3)nn2-c2nc(C)cc(=O)[n-]2)cc1OC ZINC000012123368 560889446 /nfs/dbraw/zinc/88/94/46/560889446.db2.gz ZIVBVYXDNGLGGB-UITAMQMPSA-N -1 1 421.457 2.811 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000046073921 568426609 /nfs/dbraw/zinc/42/66/09/568426609.db2.gz RHPKIGFYCVMBJW-SNVBAGLBSA-N -1 1 412.393 2.965 50 0 HFAAMM O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000006933657 568464571 /nfs/dbraw/zinc/46/45/71/568464571.db2.gz PDQGLYSZMJFTIG-UHFFFAOYSA-N -1 1 411.454 2.874 50 0 HFAAMM CN(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000020442683 568607802 /nfs/dbraw/zinc/60/78/02/568607802.db2.gz JAHOSWLVZARMFD-IZIIKQMZSA-N -1 1 421.497 2.980 50 0 HFAAMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3ccccc3OCC)CC2)n1 ZINC000225530764 568647691 /nfs/dbraw/zinc/64/76/91/568647691.db2.gz JBXYBXXAINFJRF-UHFFFAOYSA-N -1 1 400.479 2.719 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3([S@](C)=O)CC3)cc2)cc1C ZINC000225673445 568662723 /nfs/dbraw/zinc/66/27/23/568662723.db2.gz XJYWPHJKVUJCFR-MHZLTWQESA-N -1 1 420.556 2.745 50 0 HFAAMM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1c(Br)cnn1C)CCCC3 ZINC000002778653 568808182 /nfs/dbraw/zinc/80/81/82/568808182.db2.gz ULKBLFOLLACDIF-UHFFFAOYSA-N -1 1 422.308 2.525 50 0 HFAAMM C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC000012521464 568841817 /nfs/dbraw/zinc/84/18/17/568841817.db2.gz XPJBPMZVLVNGDS-ZDUSSCGKSA-N -1 1 414.487 2.529 50 0 HFAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCOCC1 ZINC000003188712 568860393 /nfs/dbraw/zinc/86/03/93/568860393.db2.gz 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COc1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)c1 ZINC000065115099 569179263 /nfs/dbraw/zinc/17/92/63/569179263.db2.gz JJGLMLZKPNDNPL-UHFFFAOYSA-N -1 1 401.444 2.873 50 0 HFAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)C=Cc2ccc3c(c2)OCO3)[n-]c1=O ZINC000007422019 569237736 /nfs/dbraw/zinc/23/77/36/569237736.db2.gz OZKISMWWAFSXGE-SOFGYWHQSA-N -1 1 407.430 2.515 50 0 HFAAMM CCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[n-]2)CCC3)cc1OCC ZINC000007422695 569237794 /nfs/dbraw/zinc/23/77/94/569237794.db2.gz IHMRVCRNDRXYQK-UHFFFAOYSA-N -1 1 423.473 2.802 50 0 HFAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1F ZINC000016849715 569265700 /nfs/dbraw/zinc/26/57/00/569265700.db2.gz FSQNTWGSAHTGIP-UHFFFAOYSA-N -1 1 405.380 2.869 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000007709880 569301655 /nfs/dbraw/zinc/30/16/55/569301655.db2.gz CRGNTANCYREBLK-UHFFFAOYSA-N -1 1 418.924 2.790 50 0 HFAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccn3)c2C)c(Cl)c1 ZINC000078902703 569421521 /nfs/dbraw/zinc/42/15/21/569421521.db2.gz AIINASKLUANMLR-UHFFFAOYSA-N -1 1 405.867 2.988 50 0 HFAAMM Cc1ccc(S(=O)(=O)CCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000008626271 571097071 /nfs/dbraw/zinc/09/70/71/571097071.db2.gz ABPRLSDSMKOHKO-UHFFFAOYSA-N -1 1 402.424 2.714 50 0 HFAAMM CC(C)COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cn1 ZINC000040144804 571195068 /nfs/dbraw/zinc/19/50/68/571195068.db2.gz MCHLIFLVDFNROP-UHFFFAOYSA-N -1 1 419.503 2.859 50 0 HFAAMM O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1ccc2c(c1)OCCO2 ZINC000040152646 571200356 /nfs/dbraw/zinc/20/03/56/571200356.db2.gz KRAFVCMRNKUUIE-UHFFFAOYSA-N -1 1 408.439 2.968 50 0 HFAAMM CCCn1c(C)cc(C(=O)COC(=O)Cc2c(C)nc(-c3ccccn3)[n-]c2=O)c1C ZINC000040153084 571200556 /nfs/dbraw/zinc/20/05/56/571200556.db2.gz HJNCKFQVRLYPSQ-UHFFFAOYSA-N -1 1 422.485 2.937 50 0 HFAAMM COc1ccc(OC)c(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)c1 ZINC000009530170 571266825 /nfs/dbraw/zinc/26/68/25/571266825.db2.gz UIZGLOUYWKHZDE-UHFFFAOYSA-N -1 1 421.500 2.854 50 0 HFAAMM Cc1noc(C)c1CSc1ncccc1C(=O)OCC(=O)[N-]C(=O)c1ccco1 ZINC000021977753 526529571 /nfs/dbraw/zinc/52/95/71/526529571.db2.gz HJPGNMITJACAAT-UHFFFAOYSA-N -1 1 415.427 2.685 50 0 HFAAMM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC)cc2)cc1 ZINC000001144773 557207000 /nfs/dbraw/zinc/20/70/00/557207000.db2.gz ZNIICSYKPBFBSI-UHFFFAOYSA-N -1 1 407.444 2.606 50 0 HFAAMM COC(OC)c1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000005176655 557638895 /nfs/dbraw/zinc/63/88/95/557638895.db2.gz ZCGRJMKKUYGRMN-UHFFFAOYSA-N -1 1 403.382 2.811 50 0 HFAAMM CCCc1cc2c(nc(C)n([N-]C(=O)c3c(Br)c(C)nn3C)c2=O)s1 ZINC000002778984 557761217 /nfs/dbraw/zinc/76/12/17/557761217.db2.gz SKUOOMJIMITOBA-UHFFFAOYSA-N -1 1 424.324 2.907 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1C(=O)N1CCOCC1 ZINC000009526112 557845084 /nfs/dbraw/zinc/84/50/84/557845084.db2.gz VNEGMBJMNOTFOT-UHFFFAOYSA-N -1 1 422.528 2.690 50 0 HFAAMM COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013059517 558509525 /nfs/dbraw/zinc/50/95/25/558509525.db2.gz GAMVDWJOVQZYPR-UHFFFAOYSA-N -1 1 414.233 2.735 50 0 HFAAMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 ZINC000013676673 558564695 /nfs/dbraw/zinc/56/46/95/558564695.db2.gz NPRWEDTUJFDBDX-UHFFFAOYSA-N -1 1 418.471 2.519 50 0 HFAAMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1(C)C ZINC000014245878 558646859 /nfs/dbraw/zinc/64/68/59/558646859.db2.gz MNCGCCUBOBSYLI-QAPCUYQASA-N -1 1 408.520 2.590 50 0 HFAAMM O=C(Nc1nccs1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000016641498 558797394 /nfs/dbraw/zinc/79/73/94/558797394.db2.gz NFMAAYWZMDPLJD-UHFFFAOYSA-N -1 1 417.468 2.967 50 0 HFAAMM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2cccc3ncccc32)c1C ZINC000058173421 558908600 /nfs/dbraw/zinc/90/86/00/558908600.db2.gz VLVIRLJPDJFQSR-UHFFFAOYSA-N -1 1 419.528 2.903 50 0 HFAAMM CN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1 ZINC000033259889 558928650 /nfs/dbraw/zinc/92/86/50/558928650.db2.gz CTCSHJRENUJAGS-UHFFFAOYSA-N -1 1 409.895 2.591 50 0 HFAAMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000060376668 558942334 /nfs/dbraw/zinc/94/23/34/558942334.db2.gz YWHFVXYLFHPTCG-UHFFFAOYSA-N -1 1 412.244 2.673 50 0 HFAAMM O=C(NCCCO)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000005523691 560604703 /nfs/dbraw/zinc/60/47/03/560604703.db2.gz YYHCCKMUEKPHKN-UHFFFAOYSA-N -1 1 402.394 2.618 50 0 HFAAMM CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=S)n(C)c2[O-])=NN1C(=O)CC ZINC000101495274 560796400 /nfs/dbraw/zinc/79/64/00/560796400.db2.gz FZTFRAHSPGEXSF-CYBMUJFWSA-N -1 1 402.476 2.635 50 0 HFAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=NN[C@@H](c2c[nH]c3ccccc32)C1 ZINC000101763214 560800941 /nfs/dbraw/zinc/80/09/41/560800941.db2.gz IGVBCHZKDXKIIP-MRXNPFEDSA-N -1 1 421.844 2.805 50 0 HFAAMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000095474228 568629196 /nfs/dbraw/zinc/62/91/96/568629196.db2.gz CPZXLEVUNZKRCU-UHFFFAOYSA-N -1 1 423.804 2.659 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1S(N)(=O)=O ZINC000012521252 568841671 /nfs/dbraw/zinc/84/16/71/568841671.db2.gz XZQDGUYYHGHILM-UHFFFAOYSA-N -1 1 419.322 2.514 50 0 HFAAMM COc1ccccc1-n1c(O)c2n(-c3cccc(Cl)c3C)[n-]c(C(C)=O)c-2c1=O ZINC000004281890 568959008 /nfs/dbraw/zinc/95/90/08/568959008.db2.gz CQGUKWUAXGSPKF-MJGOQNOKSA-N -1 1 411.845 2.980 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc(OC)c1OC ZINC000015728394 568979221 /nfs/dbraw/zinc/97/92/21/568979221.db2.gz MUBQUXDFXXKLMI-UHFFFAOYSA-N -1 1 424.500 2.948 50 0 HFAAMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(I)cc2)n1 ZINC000011903354 568987050 /nfs/dbraw/zinc/98/70/50/568987050.db2.gz GKFDXRMBWGSUAL-UHFFFAOYSA-N -1 1 415.256 2.668 50 0 HFAAMM O=C(CSc1nncn1Cc1ccco1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000054326836 569071189 /nfs/dbraw/zinc/07/11/89/569071189.db2.gz DVFKJZVKXZANKC-UHFFFAOYSA-N -1 1 408.386 2.570 50 0 HFAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 ZINC000006729037 569102185 /nfs/dbraw/zinc/10/21/85/569102185.db2.gz BSYLZRSIAQBATL-UHFFFAOYSA-N -1 1 402.472 2.963 50 0 HFAAMM Cc1c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(C(=O)N2CCC(C)CC2)n1C ZINC000064922370 569122332 /nfs/dbraw/zinc/12/23/32/569122332.db2.gz LTJNNEMZPFCPNI-UHFFFAOYSA-N -1 1 419.503 2.735 50 0 HFAAMM COc1cc(OC)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1Br ZINC000170650703 569292382 /nfs/dbraw/zinc/29/23/82/569292382.db2.gz FXWKIWREGQGCQH-UHFFFAOYSA-N -1 1 416.249 2.965 50 0 HFAAMM CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)[C@@H](C)C1 ZINC000253417687 569367234 /nfs/dbraw/zinc/36/72/34/569367234.db2.gz AJIWWRUQQILUDT-KRWDZBQOSA-N -1 1 401.532 2.962 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C(N)=O)C(C)(C)C)cc2)cc1C ZINC000079106882 569427760 /nfs/dbraw/zinc/42/77/60/569427760.db2.gz MKQHJNWOVULOFL-GOSISDBHSA-N -1 1 417.531 2.734 50 0 HFAAMM CCCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000008844240 571124810 /nfs/dbraw/zinc/12/48/10/571124810.db2.gz OEDMIXFFTMWIAH-UHFFFAOYSA-N -1 1 401.488 2.946 50 0 HFAAMM CC(C)OC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000008844242 571124953 /nfs/dbraw/zinc/12/49/53/571124953.db2.gz JVIUONDJNUTYNE-UHFFFAOYSA-N -1 1 401.488 2.945 50 0 HFAAMM CCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000008966348 571192736 /nfs/dbraw/zinc/19/27/36/571192736.db2.gz LVHUUDCOYLHJLB-ZDUSSCGKSA-N -1 1 423.922 2.704 50 0 HFAAMM CC(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 ZINC000008977077 571197840 /nfs/dbraw/zinc/19/78/40/571197840.db2.gz PWFRSKVBNVQDMX-UHFFFAOYSA-N -1 1 416.499 2.799 50 0 HFAAMM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O ZINC000009360643 571251577 /nfs/dbraw/zinc/25/15/77/571251577.db2.gz SIMVHTLRSDORIM-OAQYLSRUSA-N -1 1 416.481 2.544 50 0 biogenic HFAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000010518238 571304180 /nfs/dbraw/zinc/30/41/80/571304180.db2.gz FSUINPDOBUBTCY-UHFFFAOYSA-N -1 1 420.434 2.947 50 0 HFAAMM CCOC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001037238 132235620 /nfs/dbraw/zinc/23/56/20/132235620.db2.gz NTKDHKPUDPXPJF-UHFFFAOYSA-N -1 1 408.451 2.640 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2cc3c(cc2C)N(C(C)=O)CCO3)cc(OC)c1 ZINC000006779597 132315839 /nfs/dbraw/zinc/31/58/39/132315839.db2.gz XSZXIXKWBRTEMW-UHFFFAOYSA-N -1 1 406.460 2.558 50 0 HFAAMM CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000020567748 521700313 /nfs/dbraw/zinc/70/03/13/521700313.db2.gz SHPNPVQDSBIOQA-JPYJTQIMSA-N -1 1 406.486 2.933 50 0 HFAAMM COc1ccc(-c2nc(CSc3nc(C)c(CCO)c(=O)[n-]3)c(C)o2)cc1OC ZINC000045924920 523213499 /nfs/dbraw/zinc/21/34/99/523213499.db2.gz VLPPSGFEFNKELY-UHFFFAOYSA-N -1 1 417.487 2.886 50 0 HFAAMM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000030694006 526579509 /nfs/dbraw/zinc/57/95/09/526579509.db2.gz JXHWQENSZNRYBZ-QGZVFWFLSA-N -1 1 405.292 2.958 50 0 HFAAMM CC1(C)Cc2nc(NC(=O)CSc3nc4c(c(=O)[n-]3)CCCC4)sc2C(=O)C1 ZINC000004999526 557623659 /nfs/dbraw/zinc/62/36/59/557623659.db2.gz DJCZATFVNWQYLK-UHFFFAOYSA-N -1 1 418.544 2.991 50 0 HFAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O ZINC000097514683 557817725 /nfs/dbraw/zinc/81/77/25/557817725.db2.gz XTNKPXKLLCKKQG-NRFANRHFSA-N -1 1 416.481 2.989 50 0 biogenic HFAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-] ZINC000097514683 557817728 /nfs/dbraw/zinc/81/77/28/557817728.db2.gz XTNKPXKLLCKKQG-NRFANRHFSA-N -1 1 416.481 2.989 50 0 biogenic HFAAMM CCCCOCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000021900424 558454796 /nfs/dbraw/zinc/45/47/96/558454796.db2.gz SWSVPMRECGFUAZ-LBPRGKRZSA-N -1 1 411.351 2.983 50 0 HFAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000014481860 558655174 /nfs/dbraw/zinc/65/51/74/558655174.db2.gz LUUUTXWALDZUJY-INIZCTEOSA-N -1 1 420.513 2.878 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000015933633 558762797 /nfs/dbraw/zinc/76/27/97/558762797.db2.gz VKPXTTGANFIIKT-GOSISDBHSA-N -1 1 404.488 2.795 50 0 HFAAMM COc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000016624674 558796890 /nfs/dbraw/zinc/79/68/90/558796890.db2.gz LZVJNLJYAUITGV-UHFFFAOYSA-N -1 1 422.528 2.690 50 0 HFAAMM COc1cccc(CSc2nc(C)c(CC(=O)NCc3ccccn3)c(=O)[n-]2)c1 ZINC000023138523 559019917 /nfs/dbraw/zinc/01/99/17/559019917.db2.gz SLAVDFNOWTXSOQ-UHFFFAOYSA-N -1 1 410.499 2.633 50 0 HFAAMM CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000004884207 559197655 /nfs/dbraw/zinc/19/76/55/559197655.db2.gz VKMIGWBHSYTPGI-UHFFFAOYSA-N -1 1 418.471 2.640 50 0 HFAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000013003420 560213591 /nfs/dbraw/zinc/21/35/91/560213591.db2.gz NKUTZMBFZKWADP-UHFFFAOYSA-N -1 1 407.492 2.823 50 0 in-vitro HFAAMM CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000206338902 560556286 /nfs/dbraw/zinc/55/62/86/560556286.db2.gz SHPNPVQDSBIOQA-MBSDFSHPSA-N -1 1 406.486 2.933 50 0 HFAAMM CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[nH]c(=O)n(CCC2=CCCCC2)c1[O-] ZINC000100930464 560763340 /nfs/dbraw/zinc/76/33/40/560763340.db2.gz LYVZYYVCZBILIN-FQEVSTJZSA-N -1 1 409.486 2.627 50 0 HFAAMM CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[nH]c(=O)n(CCC2=CCCCC2)c1[O-] ZINC000100930461 560763353 /nfs/dbraw/zinc/76/33/53/560763353.db2.gz LYVZYYVCZBILIN-HXUWFJFHSA-N -1 1 409.486 2.627 50 0 HFAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)C[C@@H]1c1cccs1 ZINC000101765056 560799422 /nfs/dbraw/zinc/79/94/22/560799422.db2.gz KEIFBXQPVKBDAT-CQSZACIVSA-N -1 1 416.503 2.897 50 0 HFAAMM O=C(NC[C@@H]1CCCO1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000102907991 560835228 /nfs/dbraw/zinc/83/52/28/560835228.db2.gz SFRGRYOGEDICSF-INIZCTEOSA-N -1 1 406.417 2.867 50 0 HFAAMM Cc1cccc(N2CCN3c4ccc(N)cc4C[C@]4(C(=O)[N-]C(=O)NC4=O)[C@H]3C2)c1C ZINC000105803598 560877323 /nfs/dbraw/zinc/87/73/23/560877323.db2.gz PJELODWSRWTXHA-LJQANCHMSA-N -1 1 419.485 2.534 50 0 HFAAMM Cc1cccc(N2CCN3c4ccc(N)cc4C[C@@]4(C(=O)[N-]C(=O)NC4=O)[C@H]3C2)c1C ZINC000105803598 560877324 /nfs/dbraw/zinc/87/73/24/560877324.db2.gz PJELODWSRWTXHA-LJQANCHMSA-N -1 1 419.485 2.534 50 0 HFAAMM COc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[n-]1 ZINC000012126274 560889598 /nfs/dbraw/zinc/88/95/98/560889598.db2.gz RVEQFYCTSBVWMZ-UHFFFAOYSA-N -1 1 423.473 2.983 50 0 HFAAMM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC000033298992 568696747 /nfs/dbraw/zinc/69/67/47/568696747.db2.gz RJUDOWHQKYETFN-UHFFFAOYSA-N -1 1 404.441 2.779 50 0 HFAAMM COc1ccccc1NC(=O)CSc1nc(-c2cccs2)nc2cc(=O)[n-]n21 ZINC000021537342 568712463 /nfs/dbraw/zinc/71/24/63/568712463.db2.gz HHGQAFYNEZOQES-UHFFFAOYSA-N -1 1 413.484 2.886 50 0 HFAAMM COCCCN1CCn2c3ccc([N-]S(=O)(=O)c4ccccc4)cc3nc2C1 ZINC000021800194 568754035 /nfs/dbraw/zinc/75/40/35/568754035.db2.gz SAAQAPARXGFSGL-UHFFFAOYSA-N -1 1 400.504 2.689 50 0 HFAAMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(Br)cc1Cl ZINC000012605792 568871124 /nfs/dbraw/zinc/87/11/24/568871124.db2.gz CIXMBVWPHWQIPS-UHFFFAOYSA-N -1 1 414.672 2.879 50 0 HFAAMM CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1[O-] ZINC000003984827 568931225 /nfs/dbraw/zinc/93/12/25/568931225.db2.gz XVXHKSUNKDKOLL-OAQYLSRUSA-N -1 1 419.481 2.651 50 0 biogenic HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc(OC)c1OC ZINC000015677295 568965161 /nfs/dbraw/zinc/96/51/61/568965161.db2.gz PZYPMAMOGWAXIC-JTQLQIEISA-N -1 1 424.500 2.946 50 0 HFAAMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000008129426 568974908 /nfs/dbraw/zinc/97/49/08/568974908.db2.gz FYKJQCILLCJLBZ-CJNGLKHVSA-N -1 1 402.520 2.637 50 0 HFAAMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1 ZINC000064472379 569063569 /nfs/dbraw/zinc/06/35/69/569063569.db2.gz AQNNUNRAUAMBST-UHFFFAOYSA-N -1 1 405.476 2.826 50 0 HFAAMM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064491166 569064384 /nfs/dbraw/zinc/06/43/84/569064384.db2.gz QCKJZIQAXULQKE-UHFFFAOYSA-N -1 1 417.531 2.863 50 0 HFAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2oc1=O ZINC000064818872 569101623 /nfs/dbraw/zinc/10/16/23/569101623.db2.gz PSOOHHCTGZLIDK-UHFFFAOYSA-N -1 1 418.471 2.965 50 0 HFAAMM Cc1c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc(C(=O)N2CCCCC2)n1C ZINC000064922278 569122234 /nfs/dbraw/zinc/12/22/34/569122234.db2.gz UEFKIAAFAQZOHO-UHFFFAOYSA-N -1 1 419.503 2.532 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3oc2=O)no1 ZINC000064946829 569128513 /nfs/dbraw/zinc/12/85/13/569128513.db2.gz VLFHCWLVADARIN-UHFFFAOYSA-N -1 1 420.834 2.788 50 0 HFAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)c1 ZINC000065115437 569179419 /nfs/dbraw/zinc/17/94/19/569179419.db2.gz YPGGZUWWJRMJIH-UHFFFAOYSA-N -1 1 415.471 2.718 50 0 HFAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCC2)O3)c1 ZINC000006914008 569179777 /nfs/dbraw/zinc/17/97/77/569179777.db2.gz MNEYEIWYYNUVFM-FQEVSTJZSA-N -1 1 416.499 2.866 50 0 HFAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000006928518 569183834 /nfs/dbraw/zinc/18/38/34/569183834.db2.gz QVGQUVHTIXMLSA-CYBMUJFWSA-N -1 1 402.472 2.962 50 0 HFAAMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2C(C)C ZINC000071288756 569252460 /nfs/dbraw/zinc/25/24/60/569252460.db2.gz GXTGGXSAKABBKO-XJKSGUPXSA-N -1 1 423.564 2.816 50 0 HFAAMM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000089821076 569266496 /nfs/dbraw/zinc/26/64/96/569266496.db2.gz PGCZXGBFUBOPFR-LBPRGKRZSA-N -1 1 414.850 2.713 50 0 HFAAMM COC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000079013517 569423658 /nfs/dbraw/zinc/42/36/58/569423658.db2.gz LZCCVGPOSFJDKH-QGZVFWFLSA-N -1 1 404.488 2.747 50 0 HFAAMM CC(C)(C)NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291604 571067156 /nfs/dbraw/zinc/06/71/56/571067156.db2.gz ZNUMXBYDDWQYAV-UHFFFAOYSA-N -1 1 404.511 2.886 50 0 HFAAMM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\NC(=O)NC2=O)cc1 ZINC000008722210 571107218 /nfs/dbraw/zinc/10/72/18/571107218.db2.gz QHVWNLRXGXIUNV-ZSOIEALJSA-N -1 1 417.215 2.907 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1F ZINC000008961644 571190202 /nfs/dbraw/zinc/19/02/02/571190202.db2.gz MCZCBZWSZWETKR-UHFFFAOYSA-N -1 1 408.451 2.880 50 0 HFAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)n1 ZINC000009058040 571216978 /nfs/dbraw/zinc/21/69/78/571216978.db2.gz HSUAHJOBDBIMFO-AWEZNQCLSA-N -1 1 402.520 2.575 50 0 HFAAMM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000009228250 571239374 /nfs/dbraw/zinc/23/93/74/571239374.db2.gz DXCCYFGLWWJYSM-UHFFFAOYSA-N -1 1 421.500 2.661 50 0 HFAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@H]1CCCO1 ZINC000009367464 571252323 /nfs/dbraw/zinc/25/23/23/571252323.db2.gz FEKQYLBTZOXBKE-GOSISDBHSA-N -1 1 418.471 2.766 50 0 HFAAMM CCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000010512649 571304037 /nfs/dbraw/zinc/30/40/37/571304037.db2.gz YTZCRYMDYKVYFG-UHFFFAOYSA-N -1 1 423.560 2.658 50 0 HFAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012227403 132357278 /nfs/dbraw/zinc/35/72/78/132357278.db2.gz QIMLYFPJTDPYIE-UHFFFAOYSA-N -1 1 410.396 2.505 50 0 HFAAMM CC(C)CCNC(=O)CSc1nc(-c2cccc(Cl)c2)nc2cc(=O)[n-]n21 ZINC000021911301 519656267 /nfs/dbraw/zinc/65/62/67/519656267.db2.gz ARSVRMPBUMOGFV-UHFFFAOYSA-N -1 1 405.911 2.992 50 0 HFAAMM COc1cc([C@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)ccc1OCc1ccc(C)cc1 ZINC000004944811 557615713 /nfs/dbraw/zinc/61/57/13/557615713.db2.gz KHXSBUDPFUOTJY-OAHLLOKOSA-N -1 1 406.442 2.722 50 0 HFAAMM COc1cc([C@@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)ccc1OCc1ccc(C)cc1 ZINC000004944810 557615771 /nfs/dbraw/zinc/61/57/71/557615771.db2.gz KHXSBUDPFUOTJY-HNNXBMFYSA-N -1 1 406.442 2.722 50 0 HFAAMM Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000012462421 558419406 /nfs/dbraw/zinc/41/94/06/558419406.db2.gz FSWHQLCUULSXFW-ZDUSSCGKSA-N -1 1 415.471 2.642 50 0 HFAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(N)=O)s1 ZINC000004346933 558427867 /nfs/dbraw/zinc/42/78/67/558427867.db2.gz XPRAJMAMFYXYRT-UHFFFAOYSA-N -1 1 409.880 2.985 50 0 HFAAMM Cc1n[n-]c(=S)n1CCNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000072304169 558756695 /nfs/dbraw/zinc/75/66/95/558756695.db2.gz ZKKVSAQNDYDAGR-UHFFFAOYSA-N -1 1 409.928 2.612 50 0 HFAAMM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000033115454 558761886 /nfs/dbraw/zinc/76/18/86/558761886.db2.gz WUFLHYBTOUZJPM-UHFFFAOYSA-N -1 1 402.516 2.898 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CC4)CC3)cc2)cc1OC ZINC000033274747 558764683 /nfs/dbraw/zinc/76/46/83/558764683.db2.gz PKKWXHBPHFTIAT-UHFFFAOYSA-N -1 1 416.499 2.815 50 0 HFAAMM CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000010633400 558833094 /nfs/dbraw/zinc/83/30/94/558833094.db2.gz CQPOJTBZMKWZPX-UHFFFAOYSA-N -1 1 402.476 2.529 50 0 HFAAMM COc1cccc(CSc2nc(C)c(CC(=O)Nc3nnc(C)s3)c(=O)[n-]2)c1 ZINC000023138544 559019904 /nfs/dbraw/zinc/01/99/04/559019904.db2.gz LPHRYBIBOTYHDW-UHFFFAOYSA-N -1 1 417.516 2.720 50 0 HFAAMM Cc1cc(C)cc(CCC(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)c1 ZINC000091656610 559072719 /nfs/dbraw/zinc/07/27/19/559072719.db2.gz LVLDFOCOTDSLBI-RTWAWAEBSA-N -1 1 402.535 2.650 50 0 HFAAMM CCCC[C@@H](Sc1nc(N)c(NC(=O)c2ccc(OCC)cc2)c(=O)[nH]1)C(=O)[O-] ZINC000005082084 559242696 /nfs/dbraw/zinc/24/26/96/559242696.db2.gz YRJTYCMRGVUIKP-CYBMUJFWSA-N -1 1 420.491 2.739 50 0 HFAAMM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000011906032 559266632 /nfs/dbraw/zinc/26/66/32/559266632.db2.gz YSHUPXMZNDILHI-UHFFFAOYSA-N -1 1 414.892 2.516 50 0 HFAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011997485 559270351 /nfs/dbraw/zinc/27/03/51/559270351.db2.gz FKMUQAPZRIQBFC-UHFFFAOYSA-N -1 1 414.892 2.516 50 0 HFAAMM COC(=O)C[C@@H](c1cccc2nccnc21)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000206253720 560555484 /nfs/dbraw/zinc/55/54/84/560555484.db2.gz OMESGOKRSSLJEP-ZDUSSCGKSA-N -1 1 410.817 2.692 50 0 HFAAMM CCOC(=O)C1=C(NC(=O)CCNC(=O)c2ccco2)[N-]c2ccccc2N=C1C ZINC000005687615 560783942 /nfs/dbraw/zinc/78/39/42/560783942.db2.gz AZLODPBJVLZDPW-UHFFFAOYSA-N -1 1 410.430 2.509 50 0 HFAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@H](c3cccc4ccccc43)C2)c1=O ZINC000101456618 560795579 /nfs/dbraw/zinc/79/55/79/560795579.db2.gz BQBTVGWKVKMPEC-IBGZPJMESA-N -1 1 420.469 2.893 50 0 HFAAMM Cc1cc(C)cc(-n2c([O-])c(C3=NN[C@@H](c4ccc(Cl)cc4)C3)c(=O)[nH]c2=O)c1 ZINC000101763015 560800789 /nfs/dbraw/zinc/80/07/89/560800789.db2.gz WDYJDQFIYBYICD-MRXNPFEDSA-N -1 1 410.861 2.940 50 0 HFAAMM O=C1N[C@H](c2ccc3ncccc3c2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000102135376 560808058 /nfs/dbraw/zinc/80/80/58/560808058.db2.gz XWXKKXXUMRPDTL-FRQCXROJSA-N -1 1 416.359 2.734 50 0 HFAAMM O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000051316695 560856468 /nfs/dbraw/zinc/85/64/68/560856468.db2.gz JMWIWIDTIVXBES-UHFFFAOYSA-N -1 1 417.494 2.786 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)OC(C)(C)C)c2)cc1 ZINC000014858034 560875602 /nfs/dbraw/zinc/87/56/02/560875602.db2.gz KWYRVOPUSPHVNS-UHFFFAOYSA-N -1 1 421.471 2.995 50 0 HFAAMM CCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])[nH]c(C)c1C(C)=O ZINC000048344988 568440927 /nfs/dbraw/zinc/44/09/27/568440927.db2.gz WKYLVBAIQWZEJG-UHFFFAOYSA-N -1 1 419.503 2.831 50 0 HFAAMM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 ZINC000020611937 568637575 /nfs/dbraw/zinc/63/75/75/568637575.db2.gz QIMRYSYVBQAQQB-HXUWFJFHSA-N -1 1 402.454 2.598 50 0 biogenic HFAAMM Cc1ccc(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000020611937 568637576 /nfs/dbraw/zinc/63/75/76/568637576.db2.gz QIMRYSYVBQAQQB-HXUWFJFHSA-N -1 1 402.454 2.598 50 0 biogenic HFAAMM C[C@H](c1ccccc1)n1c(=O)[nH]c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c1=O ZINC000020757539 568641955 /nfs/dbraw/zinc/64/19/55/568641955.db2.gz NVQXNLLUIAOHIL-SZNDQCEHSA-N -1 1 416.481 2.910 50 0 biogenic HFAAMM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020933168 568652048 /nfs/dbraw/zinc/65/20/48/568652048.db2.gz DFXCNUFTMBVBAW-UHFFFAOYSA-N -1 1 411.414 2.818 50 0 HFAAMM COc1ccc(NC(=O)NCc2ccc([Si](C)(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000241326153 568731009 /nfs/dbraw/zinc/73/10/09/568731009.db2.gz LZPWJUCPPCPOKY-UHFFFAOYSA-N -1 1 421.595 2.934 50 0 HFAAMM CC(C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021712548 568748541 /nfs/dbraw/zinc/74/85/41/568748541.db2.gz LCOSLWPXYMXIMZ-LJQANCHMSA-N -1 1 415.515 2.617 50 0 HFAAMM COc1cc(NS(=O)(=O)c2ccccc2Br)c(C(=O)[O-])cc1OC ZINC000012541863 568848716 /nfs/dbraw/zinc/84/87/16/568848716.db2.gz RTPMMDRCMQEVLB-UHFFFAOYSA-N -1 1 416.249 2.965 50 0 HFAAMM COC(=O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1Cl ZINC000012544774 568850049 /nfs/dbraw/zinc/85/00/49/568850049.db2.gz FDZRCFXUIIMPGF-UHFFFAOYSA-N -1 1 410.879 2.660 50 0 HFAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(-c4nnc5n4CCC5)c3)ccc2N1 ZINC000012544888 568850052 /nfs/dbraw/zinc/85/00/52/568850052.db2.gz IAELOEUXZSDMCL-UHFFFAOYSA-N -1 1 409.471 2.577 50 0 HFAAMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012548641 568851723 /nfs/dbraw/zinc/85/17/23/568851723.db2.gz PRBPNKRGLVNJCO-ZDUSSCGKSA-N -1 1 414.487 2.672 50 0 HFAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2cc3ccccc3[nH]c2=O)cc1 ZINC000263587711 568883316 /nfs/dbraw/zinc/88/33/16/568883316.db2.gz KIPXXEQEJVBQPR-INIZCTEOSA-N -1 1 418.453 2.564 50 0 HFAAMM O=C(NCc1ccco1)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000058157888 568893810 /nfs/dbraw/zinc/89/38/10/568893810.db2.gz MDVXLTIJAHZPFF-UHFFFAOYSA-N -1 1 407.264 2.916 50 0 HFAAMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000008129412 568974901 /nfs/dbraw/zinc/97/49/01/568974901.db2.gz FYKJQCILLCJLBZ-CZUORRHYSA-N -1 1 402.520 2.637 50 0 HFAAMM O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)o1 ZINC000035597500 569045734 /nfs/dbraw/zinc/04/57/34/569045734.db2.gz XYUQLXJFADNGFW-LLVKDONJSA-N -1 1 407.473 2.599 50 0 HFAAMM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2C(=O)[O-])cc1C ZINC000064461942 569063109 /nfs/dbraw/zinc/06/31/09/569063109.db2.gz JUBCFDZXEMRWCF-UHFFFAOYSA-N -1 1 403.504 2.554 50 0 HFAAMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3n[nH]c(-c4ccncc4)c3C)cc21 ZINC000089547779 569070079 /nfs/dbraw/zinc/07/00/79/569070079.db2.gz BGYWNEJCGGOWSO-UHFFFAOYSA-N -1 1 411.487 2.880 50 0 HFAAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000426498780 569073135 /nfs/dbraw/zinc/07/31/35/569073135.db2.gz WOYSISAONXWMSD-JOCHJYFZSA-N -1 1 402.539 2.778 50 0 HFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000006624264 569075508 /nfs/dbraw/zinc/07/55/08/569075508.db2.gz MSDKYQFFULPLDX-CVEARBPZSA-N -1 1 420.465 2.547 50 0 biogenic HFAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1 ZINC000065115473 569179340 /nfs/dbraw/zinc/17/93/40/569179340.db2.gz WFCPFOGHANXQEE-UHFFFAOYSA-N -1 1 419.434 2.549 50 0 HFAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000006928504 569183866 /nfs/dbraw/zinc/18/38/66/569183866.db2.gz QVGQUVHTIXMLSA-ZDUSSCGKSA-N -1 1 402.472 2.962 50 0 HFAAMM Cc1oc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)nc1C(=O)N1CCC(C)CC1 ZINC000065293844 569218558 /nfs/dbraw/zinc/21/85/58/569218558.db2.gz ZVGHFKQUIGRELA-UHFFFAOYSA-N -1 1 413.446 2.612 50 0 HFAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000007155554 569225884 /nfs/dbraw/zinc/22/58/84/569225884.db2.gz WGYHVZPKPCYVAB-UHFFFAOYSA-N -1 1 416.908 2.594 50 0 HFAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 ZINC000007428087 569238554 /nfs/dbraw/zinc/23/85/54/569238554.db2.gz LYGIGYVQRFKQOO-UHFFFAOYSA-N -1 1 417.512 2.910 50 0 HFAAMM CC1=NN(c2ccccc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1[O-] ZINC000013590384 569256610 /nfs/dbraw/zinc/25/66/10/569256610.db2.gz UCDKVMBDNPUDDV-WJDWOHSUSA-N -1 1 422.828 2.691 50 0 HFAAMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC3CC3)cc2)cc1 ZINC000013849875 569258021 /nfs/dbraw/zinc/25/80/21/569258021.db2.gz DGIDTQQPFRTWPT-UHFFFAOYSA-N -1 1 415.515 2.903 50 0 HFAAMM O=C(NCCOc1cccc(F)c1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000040089129 571159199 /nfs/dbraw/zinc/15/91/99/571159199.db2.gz BHAUZYNSBWBNCL-UHFFFAOYSA-N -1 1 415.446 2.830 50 0 HFAAMM CCCc1cc(=O)[n-]c(SCC(=O)NCCc2ccc(OCC)c(OCC)c2)n1 ZINC000009466172 571261059 /nfs/dbraw/zinc/26/10/59/571261059.db2.gz ZIURETTYXVHKPB-UHFFFAOYSA-N -1 1 419.547 2.971 50 0 HFAAMM O=C(NCc1ccccn1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009467937 571261251 /nfs/dbraw/zinc/26/12/51/571261251.db2.gz HLDRXUVEMMMQPP-UHFFFAOYSA-N -1 1 411.439 2.541 50 0 HFAAMM CCN(CC)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000009647064 571276606 /nfs/dbraw/zinc/27/66/06/571276606.db2.gz MWXJLLDCEUBIFE-KRWDZBQOSA-N -1 1 416.547 2.981 50 0 HFAAMM COCCN1Cc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2O[C@@H](C)C1=O ZINC000035886795 571317078 /nfs/dbraw/zinc/31/70/78/571317078.db2.gz GVXGCGSAANJJLU-ZDUSSCGKSA-N -1 1 424.906 2.897 50 0 HFAAMM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc21 ZINC000020560487 523168977 /nfs/dbraw/zinc/16/89/77/523168977.db2.gz YAOQBQIOJTVHRU-UHFFFAOYSA-N -1 1 420.512 2.716 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1Cl ZINC000004756890 557594120 /nfs/dbraw/zinc/59/41/20/557594120.db2.gz HWCFDDANNDKISZ-UHFFFAOYSA-N -1 1 404.897 2.545 50 0 HFAAMM CCOC(=O)c1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000005042729 557628827 /nfs/dbraw/zinc/62/88/27/557628827.db2.gz LMASSKVXFIWDJA-UHFFFAOYSA-N -1 1 401.366 2.696 50 0 HFAAMM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(N)cc(=O)[n-]1)CCCCC2 ZINC000006458431 557703583 /nfs/dbraw/zinc/70/35/83/557703583.db2.gz SWXVVPBJEHMIIJ-UHFFFAOYSA-N -1 1 422.532 2.590 50 0 HFAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc(N)cc(=O)[n-]1)CCCC2 ZINC000009667807 557847903 /nfs/dbraw/zinc/84/79/03/557847903.db2.gz FONNDTZGGSYGAR-SECBINFHSA-N -1 1 422.532 2.588 50 0 HFAAMM O=C([O-])[C@H]1CCCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C1 ZINC000020724946 558404419 /nfs/dbraw/zinc/40/44/19/558404419.db2.gz JFPIKSSAWHOXHY-HNNXBMFYSA-N -1 1 423.421 2.868 50 0 biogenic HFAAMM CC(C)Oc1ccc(C(=O)N(C)CCCNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000022471347 558491489 /nfs/dbraw/zinc/49/14/89/558491489.db2.gz MSAXHGSOSCWBLR-UHFFFAOYSA-N -1 1 422.485 2.602 50 0 HFAAMM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(OC)c1OC ZINC000013032777 558505504 /nfs/dbraw/zinc/50/55/04/558505504.db2.gz XMHTWVPHFIJCOE-UHFFFAOYSA-N -1 1 407.444 2.700 50 0 HFAAMM C[C@@H]1CCCN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000004486806 558603994 /nfs/dbraw/zinc/60/39/94/558603994.db2.gz FHYYMKDRGPVBGL-MRXNPFEDSA-N -1 1 416.499 2.903 50 0 HFAAMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC000072235922 558635328 /nfs/dbraw/zinc/63/53/28/558635328.db2.gz OPWKKNYJFQMZRH-HNNXBMFYSA-N -1 1 416.268 2.922 50 0 HFAAMM COc1ccc([C@@H](CNC(=O)c2ccccc2[N-]S(C)(=O)=O)N2CCCC2)cc1 ZINC000025784804 558650342 /nfs/dbraw/zinc/65/03/42/558650342.db2.gz KDBVCXVFXGTROI-HXUWFJFHSA-N -1 1 417.531 2.634 50 0 HFAAMM Cn1cnc(S(=O)(=O)[N-]CCNc2ncc(C(F)(F)F)cc2Cl)c1Cl ZINC000028057081 558690592 /nfs/dbraw/zinc/69/05/92/558690592.db2.gz AERBRJNTKBPXFP-UHFFFAOYSA-N -1 1 418.228 2.531 50 0 HFAAMM O=C(NC[C@@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000033115277 558761659 /nfs/dbraw/zinc/76/16/59/558761659.db2.gz ISQILKNPVJFHJX-SFHVURJKSA-N -1 1 400.500 2.814 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(=O)OC(C)C)c2)cc1 ZINC000016107639 558772162 /nfs/dbraw/zinc/77/21/62/558772162.db2.gz SYKVCFFWKUEDCC-UHFFFAOYSA-N -1 1 404.488 2.867 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)N1CCOCC1 ZINC000016576608 558796196 /nfs/dbraw/zinc/79/61/96/558796196.db2.gz ZFEAHISPXWXEPJ-UHFFFAOYSA-N -1 1 404.488 2.585 50 0 HFAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000016643783 558797469 /nfs/dbraw/zinc/79/74/69/558797469.db2.gz SIXAMOZTOFEXBY-UHFFFAOYSA-N -1 1 415.515 2.538 50 0 HFAAMM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCOCC1 ZINC000016647988 558797627 /nfs/dbraw/zinc/79/76/27/558797627.db2.gz XVMHJSMBFKHENP-UHFFFAOYSA-N -1 1 410.492 2.821 50 0 HFAAMM 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CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000008962436 132334177 /nfs/dbraw/zinc/33/41/77/132334177.db2.gz BRKFREKMVWBMKB-UHFFFAOYSA-N -1 1 401.488 2.991 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000810731 557087534 /nfs/dbraw/zinc/08/75/34/557087534.db2.gz PQWGVSTWFDUDHQ-UHFFFAOYSA-N -1 1 410.517 2.671 50 0 HFAAMM COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000001161247 557218452 /nfs/dbraw/zinc/21/84/52/557218452.db2.gz GDWHNHUPKLMMAJ-VGOFMYFVSA-N -1 1 402.790 2.806 50 0 HFAAMM O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000002692100 557368425 /nfs/dbraw/zinc/36/84/25/557368425.db2.gz OJYLJKNOMWNPKA-UHFFFAOYSA-N -1 1 419.459 2.885 50 0 HFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCCc1nc(-c2ccccc2)no1 ZINC000009304045 557835512 /nfs/dbraw/zinc/83/55/12/557835512.db2.gz OIOHVWKANUXBKG-UHFFFAOYSA-N -1 1 405.410 2.758 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000010059740 557854775 /nfs/dbraw/zinc/85/47/75/557854775.db2.gz STCOGPXMOHYVEE-HNNXBMFYSA-N -1 1 424.544 2.917 50 0 HFAAMM CC(C)C(=O)N(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000022471942 558491541 /nfs/dbraw/zinc/49/15/41/558491541.db2.gz GVSWBHUPVQUSRE-UHFFFAOYSA-N -1 1 406.486 2.728 50 0 HFAAMM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000012977554 558492239 /nfs/dbraw/zinc/49/22/39/558492239.db2.gz CQZVIZIZCIUFTC-UHFFFAOYSA-N -1 1 410.478 2.789 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1OC ZINC000013696932 558574901 /nfs/dbraw/zinc/57/49/01/558574901.db2.gz UFHPEKXCMTYKKE-UHFFFAOYSA-N -1 1 402.472 2.804 50 0 HFAAMM COc1ccc([C@H](CNC(=O)c2ccccc2[N-]S(C)(=O)=O)N2CCCC2)cc1 ZINC000025784805 558650339 /nfs/dbraw/zinc/65/03/39/558650339.db2.gz KDBVCXVFXGTROI-FQEVSTJZSA-N -1 1 417.531 2.634 50 0 HFAAMM CSc1nc(C)c(CCC(=O)NCc2cccnc2OC2CCCC2)c(=O)[n-]1 ZINC000029413726 558714859 /nfs/dbraw/zinc/71/48/59/558714859.db2.gz KYXMEEYPLHMWSY-UHFFFAOYSA-N -1 1 402.520 2.766 50 0 HFAAMM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3cccnc3)cc21 ZINC000033129705 558885664 /nfs/dbraw/zinc/88/56/64/558885664.db2.gz KQXXPTGHGDOIJC-UHFFFAOYSA-N -1 1 414.531 2.602 50 0 HFAAMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCO3)ccc1Br ZINC000055685659 558992471 /nfs/dbraw/zinc/99/24/71/558992471.db2.gz AFNVUICPIQANMC-UHFFFAOYSA-N -1 1 414.233 2.719 50 0 HFAAMM CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cccc(CC)c3)cc2oc1=O ZINC000004884253 559197624 /nfs/dbraw/zinc/19/76/24/559197624.db2.gz OXRIIUNUJYINAH-UHFFFAOYSA-N -1 1 404.444 2.521 50 0 HFAAMM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000011858275 559263028 /nfs/dbraw/zinc/26/30/28/559263028.db2.gz PYLGFBPZTSOJLD-UHFFFAOYSA-N -1 1 422.528 2.986 50 0 HFAAMM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cnc1Cl ZINC000079103031 560541277 /nfs/dbraw/zinc/54/12/77/560541277.db2.gz HXWIKRPDBDIBFH-UHFFFAOYSA-N -1 1 403.803 2.953 50 0 HFAAMM CC(C)NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000005294133 560562202 /nfs/dbraw/zinc/56/22/02/560562202.db2.gz AULVQHMHUZPUCZ-MRXNPFEDSA-N -1 1 402.520 2.637 50 0 HFAAMM Cc1ccc(S(=O)(=O)N2CCC(C(=O)C3=C([O-])CC(C)(C)CC3=O)CC2)cc1 ZINC000100916071 560763136 /nfs/dbraw/zinc/76/31/36/560763136.db2.gz OUILLQNXMTZECQ-UHFFFAOYSA-N -1 1 405.516 2.539 50 0 HFAAMM CCCCn1c([O-])c(C2=NN[C@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=S ZINC000101495203 560796293 /nfs/dbraw/zinc/79/62/93/560796293.db2.gz HMTOQRZNEFQBIE-LBPRGKRZSA-N -1 1 404.492 2.867 50 0 HFAAMM Cc1ccc([C@H]2CC(c3c([O-])n(-c4ccc(Cl)cc4)c(=O)[nH]c3=O)=NN2)s1 ZINC000101762742 560800675 /nfs/dbraw/zinc/80/06/75/560800675.db2.gz JFPRCLNLIRTPNG-GFCCVEGCSA-N -1 1 402.863 2.693 50 0 HFAAMM Cc1ccc([C@@H]2CC(c3c([O-])n(-c4cccc(Cl)c4)c(=O)[nH]c3=O)=NN2)s1 ZINC000101763232 560801024 /nfs/dbraw/zinc/80/10/24/560801024.db2.gz CTHHHUIIMJCECS-LBPRGKRZSA-N -1 1 402.863 2.693 50 0 HFAAMM CCOc1ccc(CN(C(=O)c2ccco2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101878120 560804254 /nfs/dbraw/zinc/80/42/54/560804254.db2.gz OTSWOKPPPSIYRE-UHFFFAOYSA-N -1 1 407.430 2.873 50 0 HFAAMM COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)NC(C)(C)C)cc1Cl ZINC000051316622 560856344 /nfs/dbraw/zinc/85/63/44/560856344.db2.gz YCJDYDKEPOSBES-UHFFFAOYSA-N -1 1 421.910 2.778 50 0 HFAAMM COC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)CC1 ZINC000010112598 560872484 /nfs/dbraw/zinc/87/24/84/560872484.db2.gz BPLMJUXTZMFOLF-UHFFFAOYSA-N -1 1 416.499 2.821 50 0 HFAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)[C@H]2COc3ccccc3O2)n1 ZINC000012126709 560889704 /nfs/dbraw/zinc/88/97/04/560889704.db2.gz HHEVRLFDFZXTOG-GOSISDBHSA-N -1 1 421.457 2.735 50 0 HFAAMM Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007989175 568487299 /nfs/dbraw/zinc/48/72/99/568487299.db2.gz XPSCPSFZARYGBH-NVMNQCDNSA-N -1 1 404.382 2.535 50 0 HFAAMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccc(Cn3cnc4ccccc43)cc1)c2=O ZINC000095456856 568618096 /nfs/dbraw/zinc/61/80/96/568618096.db2.gz NMUBJNJZTBNKGC-UHFFFAOYSA-N -1 1 412.453 2.590 50 0 HFAAMM O=C1O[C@@H](c2c(=O)[nH]c(=O)n(-c3cccc(C(F)(F)F)c3)c2[O-])c2ccccc21 ZINC000095483427 568635073 /nfs/dbraw/zinc/63/50/73/568635073.db2.gz XQUGQHXYPVLXFB-CQSZACIVSA-N -1 1 404.300 2.510 50 0 HFAAMM CCc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 ZINC000020611873 568637381 /nfs/dbraw/zinc/63/73/81/568637381.db2.gz NCTBNFAOHGPUNA-OAQYLSRUSA-N -1 1 416.481 2.852 50 0 biogenic HFAAMM CCc1ccc(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000020611873 568637384 /nfs/dbraw/zinc/63/73/84/568637384.db2.gz NCTBNFAOHGPUNA-OAQYLSRUSA-N -1 1 416.481 2.852 50 0 biogenic HFAAMM Cc1cccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1C ZINC000020611822 568637488 /nfs/dbraw/zinc/63/74/88/568637488.db2.gz VQQTVKHWFWOGHY-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1cccc(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1C ZINC000020611822 568637489 /nfs/dbraw/zinc/63/74/89/568637489.db2.gz VQQTVKHWFWOGHY-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@H]3OC)c2)cc1 ZINC000225469040 568640684 /nfs/dbraw/zinc/64/06/84/568640684.db2.gz YGKRECFUOHGAOJ-RBUKOAKNSA-N -1 1 404.488 2.793 50 0 HFAAMM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000020933162 568652179 /nfs/dbraw/zinc/65/21/79/568652179.db2.gz QFPABXGCCQRYAG-UHFFFAOYSA-N -1 1 411.414 2.818 50 0 HFAAMM COCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)ccc21 ZINC000021113116 568668536 /nfs/dbraw/zinc/66/85/36/568668536.db2.gz XJVDDNQYCYFCGC-UHFFFAOYSA-N -1 1 403.504 2.823 50 0 HFAAMM CC(C)(C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000057681433 568858235 /nfs/dbraw/zinc/85/82/35/568858235.db2.gz XGTZLTQHOPYNSH-HNNXBMFYSA-N -1 1 402.520 2.637 50 0 HFAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)c1 ZINC000084147549 568940276 /nfs/dbraw/zinc/94/02/76/568940276.db2.gz PBXQZOMQPLBREX-KRWDZBQOSA-N -1 1 402.516 2.949 50 0 HFAAMM CC(=O)NCCc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2n1C ZINC000001432607 568941216 /nfs/dbraw/zinc/94/12/16/568941216.db2.gz AWOLQXDDKNQKOW-UHFFFAOYSA-N -1 1 406.895 2.706 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1OC ZINC000004270466 568956825 /nfs/dbraw/zinc/95/68/25/568956825.db2.gz HISIRQUKYWKMLY-GFCCVEGCSA-N -1 1 402.472 2.901 50 0 HFAAMM CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O ZINC000005530089 569019619 /nfs/dbraw/zinc/01/96/19/569019619.db2.gz VHSGVUKZKKFYRZ-LDADJPATSA-N -1 1 416.437 2.654 50 0 HFAAMM CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1[O-] ZINC000005530089 569019620 /nfs/dbraw/zinc/01/96/20/569019620.db2.gz VHSGVUKZKKFYRZ-LDADJPATSA-N -1 1 416.437 2.654 50 0 HFAAMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c(Cl)cc1F ZINC000063877004 569033196 /nfs/dbraw/zinc/03/31/96/569033196.db2.gz MMKQAMAJHLLIKA-UHFFFAOYSA-N -1 1 414.842 2.815 50 0 HFAAMM O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(Br)ccc1[O-] ZINC000013006239 569049667 /nfs/dbraw/zinc/04/96/67/569049667.db2.gz IWYZMPCHAALELG-UHFFFAOYSA-N -1 1 405.292 2.917 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3oc2=O)no1 ZINC000064946850 569128504 /nfs/dbraw/zinc/12/85/04/569128504.db2.gz RBJOLWPSDBQFFH-UHFFFAOYSA-N -1 1 414.443 2.752 50 0 HFAAMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000065478704 569231562 /nfs/dbraw/zinc/23/15/62/569231562.db2.gz IMBFTCCYBYNCKI-FQEVSTJZSA-N -1 1 422.481 2.824 50 0 HFAAMM Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000007418980 569237295 /nfs/dbraw/zinc/23/72/95/569237295.db2.gz YFIVHQJEAMPQSF-UHFFFAOYSA-N -1 1 408.245 2.897 50 0 HFAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)N1CCc2ccccc2C1 ZINC000016980952 569270292 /nfs/dbraw/zinc/27/02/92/569270292.db2.gz HYCTTZPQSVGFKC-UHFFFAOYSA-N -1 1 405.502 2.707 50 0 HFAAMM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)N2CCOCC2)cc1 ZINC000040156754 571203666 /nfs/dbraw/zinc/20/36/66/571203666.db2.gz VZHYTUWTHQEVGU-INIZCTEOSA-N -1 1 414.449 2.764 50 0 HFAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC(C2OCCO2)CC1 ZINC000069200564 571212120 /nfs/dbraw/zinc/21/21/20/571212120.db2.gz FEVMLBBRTLPINT-UHFFFAOYSA-N -1 1 416.499 2.713 50 0 HFAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009153180 571231389 /nfs/dbraw/zinc/23/13/89/571231389.db2.gz QOLAIRZSNWNJBY-UHFFFAOYSA-N -1 1 407.451 2.987 50 0 HFAAMM COC(=O)CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000009220059 571238052 /nfs/dbraw/zinc/23/80/52/571238052.db2.gz XYEVDKKSEGNPLC-UHFFFAOYSA-N -1 1 410.879 2.742 50 0 HFAAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C(=O)NC4CC4)c3)ccc21 ZINC000007325569 132323888 /nfs/dbraw/zinc/32/38/88/132323888.db2.gz FTBYEVRZNSPCSY-UHFFFAOYSA-N -1 1 413.499 2.679 50 0 HFAAMM Nc1ccc2c(c1)C[C@]1(C(=O)[N-]C(=O)N(Cc3ccccc3)C1=O)[C@H]1CCCCCN21 ZINC000008995449 132334788 /nfs/dbraw/zinc/33/47/88/132334788.db2.gz LACJPBMUJNLERX-HYBUGGRVSA-N -1 1 418.497 2.839 50 0 HFAAMM CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000032072092 525177196 /nfs/dbraw/zinc/17/71/96/525177196.db2.gz FPQSZZBWDDNUCX-HXUWFJFHSA-N -1 1 413.499 2.538 50 0 HFAAMM O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)Nc1ccc(F)cc1 ZINC000002692102 557368496 /nfs/dbraw/zinc/36/84/96/557368496.db2.gz JJMMWQHZMBDGEN-UHFFFAOYSA-N -1 1 419.459 2.885 50 0 HFAAMM Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712508 557746357 /nfs/dbraw/zinc/74/63/57/557746357.db2.gz NIXFCQSMZRBPLY-UHFFFAOYSA-N -1 1 419.850 2.582 50 0 HFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(CCc2ccncc2)CC1 ZINC000020622812 558394397 /nfs/dbraw/zinc/39/43/97/558394397.db2.gz AEULKFWDYKUNLW-UHFFFAOYSA-N -1 1 421.497 2.522 50 0 HFAAMM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3ccccc3Br)C2=O)c1 ZINC000012790841 558465654 /nfs/dbraw/zinc/46/56/54/558465654.db2.gz FRHGOCAGPWAUAY-SFHVURJKSA-N -1 1 418.247 2.570 50 0 HFAAMM CSCC[C@H](NC(=O)c1ccco1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000013096643 558513404 /nfs/dbraw/zinc/51/34/04/558513404.db2.gz CJDVVSPVLWQFME-HNNXBMFYSA-N -1 1 417.439 2.687 50 0 HFAAMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC000072235921 558635305 /nfs/dbraw/zinc/63/53/05/558635305.db2.gz OPWKKNYJFQMZRH-OAHLLOKOSA-N -1 1 416.268 2.922 50 0 HFAAMM CC(C)(C)NC(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000015175796 558726955 /nfs/dbraw/zinc/72/69/55/558726955.db2.gz WQZFKTKMTQPRSL-UHFFFAOYSA-N -1 1 423.922 2.785 50 0 HFAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(CCOc2ccccc2)CC1 ZINC000016497121 558794907 /nfs/dbraw/zinc/79/49/07/558794907.db2.gz PCHMNAVGIJYVJN-UHFFFAOYSA-N -1 1 405.292 2.992 50 0 HFAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(=O)N1CCOCC1 ZINC000016626303 558797025 /nfs/dbraw/zinc/79/70/25/558797025.db2.gz RJSUCXYFWKZHDD-UHFFFAOYSA-N -1 1 406.529 2.990 50 0 HFAAMM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000097940964 558946000 /nfs/dbraw/zinc/94/60/00/558946000.db2.gz JBVFZDRYIYSQRQ-UHFFFAOYSA-N -1 1 406.439 2.928 50 0 HFAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc21 ZINC000021756806 558948273 /nfs/dbraw/zinc/94/82/73/558948273.db2.gz WKFFUSGFIZAEKT-UHFFFAOYSA-N -1 1 408.451 2.561 50 0 HFAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)s1 ZINC000014247796 559161965 /nfs/dbraw/zinc/16/19/65/559161965.db2.gz IQWRZRFYZDYUCI-INIZCTEOSA-N -1 1 402.520 2.591 50 0 HFAAMM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205953563 559186845 /nfs/dbraw/zinc/18/68/45/559186845.db2.gz QCLQDKOTTFFKNM-ZDUSSCGKSA-N -1 1 418.833 2.766 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC ZINC000004884673 559196640 /nfs/dbraw/zinc/19/66/40/559196640.db2.gz OILNFUUKLFGJDK-UHFFFAOYSA-N -1 1 402.472 2.804 50 0 HFAAMM CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2oc1=O ZINC000004884242 559197634 /nfs/dbraw/zinc/19/76/34/559197634.db2.gz VQDSTYWMNHTCDN-UHFFFAOYSA-N -1 1 418.471 2.884 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 ZINC000005075836 559241016 /nfs/dbraw/zinc/24/10/16/559241016.db2.gz CFAKRHKBGAKSHP-UHFFFAOYSA-N -1 1 400.909 2.989 50 0 HFAAMM O=C(c1cccnc1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc21 ZINC000011906508 559266755 /nfs/dbraw/zinc/26/67/55/559266755.db2.gz KFXZZWKIMKEQNY-UHFFFAOYSA-N -1 1 423.450 2.814 50 0 HFAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)NC3CC3)c2)c1 ZINC000003506561 560595877 /nfs/dbraw/zinc/59/58/77/560595877.db2.gz DQPCOPSQNRCABE-UHFFFAOYSA-N -1 1 402.472 2.540 50 0 HFAAMM CC1CCN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000004490419 560606277 /nfs/dbraw/zinc/60/62/77/560606277.db2.gz QKKZXMFUUOSKKK-UHFFFAOYSA-N -1 1 416.499 2.903 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C ZINC000005602472 560629142 /nfs/dbraw/zinc/62/91/42/560629142.db2.gz MTKPRMZCCQYDQS-UHFFFAOYSA-N -1 1 412.533 2.870 50 0 HFAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000005602635 560629367 /nfs/dbraw/zinc/62/93/67/560629367.db2.gz DWBWMUKEQIFINE-UHFFFAOYSA-N -1 1 400.909 2.925 50 0 HFAAMM COc1ccccc1-n1c(O)c2n(-c3cccc(Cl)c3C)[n-]c(C(C)=O)c-2c1=O ZINC000100942566 560763514 /nfs/dbraw/zinc/76/35/14/560763514.db2.gz CQGUKWUAXGSPKF-IEBWSBKVSA-N -1 1 411.845 2.980 50 0 HFAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000101494037 560796098 /nfs/dbraw/zinc/79/60/98/560796098.db2.gz QIFMZFVHWLHVOK-UHFFFAOYSA-N -1 1 415.497 2.997 50 0 HFAAMM CC(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2)cc1 ZINC000101762382 560800463 /nfs/dbraw/zinc/80/04/63/560800463.db2.gz XUPDPHRJMKFAEP-SFHVURJKSA-N -1 1 404.470 2.853 50 0 HFAAMM COc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000012130583 560890061 /nfs/dbraw/zinc/89/00/61/560890061.db2.gz PMZGOPNTENHSCX-UHFFFAOYSA-N -1 1 419.485 2.902 50 0 HFAAMM Cc1ccc(C)c(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1 ZINC000020757294 568641873 /nfs/dbraw/zinc/64/18/73/568641873.db2.gz DFETYLIKBIBOAP-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1ccc(C)c(-n2c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000020757294 568641877 /nfs/dbraw/zinc/64/18/77/568641877.db2.gz DFETYLIKBIBOAP-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM COC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)CC1 ZINC000012508265 568840084 /nfs/dbraw/zinc/84/00/84/568840084.db2.gz TXHKUHMWSMIYSH-UHFFFAOYSA-N -1 1 416.499 2.821 50 0 HFAAMM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C(N)=O ZINC000012535930 568845441 /nfs/dbraw/zinc/84/54/41/568845441.db2.gz ANVHHCMVROTPCL-JTQLQIEISA-N -1 1 416.377 2.537 50 0 HFAAMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000012536020 568845503 /nfs/dbraw/zinc/84/55/03/568845503.db2.gz SBYGJRUQCKZRFB-UHFFFAOYSA-N -1 1 418.496 2.714 50 0 HFAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ncc4c3nc[nH]c4=O)cc2)c(C)s1 ZINC000012544898 568850013 /nfs/dbraw/zinc/85/00/13/568850013.db2.gz PPZQQORVPXBEKB-UHFFFAOYSA-N -1 1 401.473 2.588 50 0 HFAAMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012605357 568870923 /nfs/dbraw/zinc/87/09/23/568870923.db2.gz PSVUMQIKHCFTGS-UHFFFAOYSA-N -1 1 424.479 2.767 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc(OC)c1OC ZINC000015674661 568963008 /nfs/dbraw/zinc/96/30/08/568963008.db2.gz RVYITLWGCWKNCG-UHFFFAOYSA-N -1 1 420.487 2.767 50 0 HFAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)N2CCCC2)c1 ZINC000008278375 568987103 /nfs/dbraw/zinc/98/71/03/568987103.db2.gz YKAUYEQBNBOXTP-QGZVFWFLSA-N -1 1 414.531 2.735 50 0 HFAAMM Cn1c(Cc2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)n[n-]c1=S ZINC000012984776 569047667 /nfs/dbraw/zinc/04/76/67/569047667.db2.gz DXROLMDCFYCNIK-UHFFFAOYSA-N -1 1 403.489 2.825 50 0 HFAAMM C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(Cc4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000035828117 569061539 /nfs/dbraw/zinc/06/15/39/569061539.db2.gz IMAIZNBJZMIBAU-WMZHIEFXSA-N -1 1 422.460 2.608 50 0 HFAAMM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3oc2=O)no1 ZINC000064946882 569128494 /nfs/dbraw/zinc/12/84/94/569128494.db2.gz JYMFYVYQLSFDRY-UHFFFAOYSA-N -1 1 418.406 2.528 50 0 HFAAMM CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O ZINC000006920272 569181783 /nfs/dbraw/zinc/18/17/83/569181783.db2.gz OJDSOASLISCJAK-HUUCEWRRSA-N -1 1 419.547 2.725 50 0 HFAAMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000065478701 569231627 /nfs/dbraw/zinc/23/16/27/569231627.db2.gz IMBFTCCYBYNCKI-HXUWFJFHSA-N -1 1 422.481 2.824 50 0 HFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1 ZINC000007420633 569237441 /nfs/dbraw/zinc/23/74/41/569237441.db2.gz KUPGLCDPGACURY-UHFFFAOYSA-N -1 1 405.414 2.575 50 0 HFAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 ZINC000007428122 569238598 /nfs/dbraw/zinc/23/85/98/569238598.db2.gz NVHZOWSKNUYHCM-UHFFFAOYSA-N -1 1 417.512 2.965 50 0 HFAAMM CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(F)c(F)c2)c1 ZINC000170595721 569241681 /nfs/dbraw/zinc/24/16/81/569241681.db2.gz GYMFCZSFNISMRM-MRXNPFEDSA-N -1 1 415.400 2.953 50 0 HFAAMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1SC(C)=Nc2c1c(=O)[n-]n2C(C)C ZINC000071288759 569252477 /nfs/dbraw/zinc/25/24/77/569252477.db2.gz GXTGGXSAKABBKO-BBRMVZONSA-N -1 1 423.564 2.816 50 0 HFAAMM COc1cc(OC)c(C=NN=C2NC(=O)C(CC(=O)[O-])S2)cc1Br ZINC000254398799 569254687 /nfs/dbraw/zinc/25/46/87/569254687.db2.gz QMDSPBQCRSRRAN-LLVKDONJSA-N -1 1 416.253 2.703 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1F ZINC000013696721 569257226 /nfs/dbraw/zinc/25/72/26/569257226.db2.gz LSOSEESYNFAMEA-IBGZPJMESA-N -1 1 420.462 2.703 50 0 HFAAMM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2C1 ZINC000008976957 571197862 /nfs/dbraw/zinc/19/78/62/571197862.db2.gz JNNOKFSPQISUFL-UHFFFAOYSA-N -1 1 404.488 2.799 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1F ZINC000008977380 571198308 /nfs/dbraw/zinc/19/83/08/571198308.db2.gz GWVZWXPWHYFIQB-UHFFFAOYSA-N -1 1 404.463 2.930 50 0 HFAAMM CNC(=O)[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000040156158 571203079 /nfs/dbraw/zinc/20/30/79/571203079.db2.gz CSGBGXHYCJICHN-FQEVSTJZSA-N -1 1 423.494 2.705 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc(OC)c1 ZINC000032943687 522757849 /nfs/dbraw/zinc/75/78/49/522757849.db2.gz HOLCSDCQGJGXHF-UHFFFAOYSA-N -1 1 408.501 2.963 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1OC ZINC000032943670 524695698 /nfs/dbraw/zinc/69/56/98/524695698.db2.gz PNIVOBXPYUAHGN-UHFFFAOYSA-N -1 1 408.501 2.963 50 0 HFAAMM COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000000712104 557066460 /nfs/dbraw/zinc/06/64/60/557066460.db2.gz ZCJISZKXPALHJK-VGOFMYFVSA-N -1 1 402.790 2.806 50 0 HFAAMM CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc(N)cc(=O)[n-]3)sc2c1 ZINC000004385485 557550011 /nfs/dbraw/zinc/55/00/11/557550011.db2.gz BHBJKAMCDTUMSR-LLVKDONJSA-N -1 1 405.505 2.870 50 0 HFAAMM COc1cc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)ccc1O ZINC000005670170 557667675 /nfs/dbraw/zinc/66/76/75/557667675.db2.gz YDQFNABJYNXWLR-ZDUSSCGKSA-N -1 1 407.352 2.898 50 0 HFAAMM CC(C)[C@@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-] ZINC000020426551 558362182 /nfs/dbraw/zinc/36/21/82/558362182.db2.gz MMMKHKOPUKRPLE-OAQYLSRUSA-N -1 1 411.410 2.770 50 0 biogenic HFAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000022893826 558518830 /nfs/dbraw/zinc/51/88/30/558518830.db2.gz HZBORRREJVOCEN-INIZCTEOSA-N -1 1 400.548 2.547 50 0 HFAAMM CC(C)[C@H](C)NC(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000004486781 558604067 /nfs/dbraw/zinc/60/40/67/558604067.db2.gz HWEIFAMAMYSHQP-HNNXBMFYSA-N -1 1 404.488 2.805 50 0 HFAAMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)NCc1ccco1 ZINC000004490391 558611039 /nfs/dbraw/zinc/61/10/39/558611039.db2.gz MKLMKCCMRGSESP-UHFFFAOYSA-N -1 1 414.439 2.554 50 0 HFAAMM CON(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000026319516 558659167 /nfs/dbraw/zinc/65/91/67/558659167.db2.gz YITFCRVVLYTAHC-UHFFFAOYSA-N -1 1 410.517 2.548 50 0 HFAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2C[C@H]1C ZINC000028687281 558703784 /nfs/dbraw/zinc/70/37/84/558703784.db2.gz SKRXBXZQQOHMPI-VXGBXAGGSA-N -1 1 415.471 2.504 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccnc(C(N)=O)c3)c2)cc1 ZINC000058358153 558921651 /nfs/dbraw/zinc/92/16/51/558921651.db2.gz QSNZCROYDYRAHO-UHFFFAOYSA-N -1 1 410.455 2.542 50 0 HFAAMM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000033253995 558922221 /nfs/dbraw/zinc/92/22/21/558922221.db2.gz ZNRTXXCJUAVBET-UHFFFAOYSA-N -1 1 405.520 2.882 50 0 HFAAMM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072145647 558929574 /nfs/dbraw/zinc/92/95/74/558929574.db2.gz XOINFNRUXFMKEM-INIZCTEOSA-N -1 1 423.439 2.561 50 0 HFAAMM COc1ccc(-c2csc(NC(=O)CSc3nc(OC)cc(=O)[n-]3)n2)cc1 ZINC000004632376 558944868 /nfs/dbraw/zinc/94/48/68/558944868.db2.gz HIPNZXXLEKOMLB-UHFFFAOYSA-N -1 1 404.473 2.641 50 0 HFAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(=O)Nc1ccccc1C(N)=O ZINC000023138495 559019892 /nfs/dbraw/zinc/01/98/92/559019892.db2.gz VUJIUGBEKGEWFV-UHFFFAOYSA-N -1 1 408.483 2.651 50 0 HFAAMM O=c1[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1ccccc1Cl ZINC000100758513 559264455 /nfs/dbraw/zinc/26/44/55/559264455.db2.gz IWVPSWPFEBJCCP-GOSISDBHSA-N -1 1 408.845 2.601 50 0 biogenic HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC ZINC000011906537 559266752 /nfs/dbraw/zinc/26/67/52/559266752.db2.gz CSTPMFSGSMBQPN-UHFFFAOYSA-N -1 1 402.472 2.804 50 0 HFAAMM Cc1nn2c(-c3ccc(S(=O)(=O)[N-]Cc4ccco4)o3)nnc2c2ccccc12 ZINC000005321968 560568308 /nfs/dbraw/zinc/56/83/08/560568308.db2.gz DOEHKEZKGATINK-UHFFFAOYSA-N -1 1 409.427 2.917 50 0 HFAAMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc[nH]1 ZINC000005270704 560625659 /nfs/dbraw/zinc/62/56/59/560625659.db2.gz UJQDCOPRASXRKQ-UHFFFAOYSA-N -1 1 402.403 2.994 50 0 HFAAMM COc1ccc(CN(C(C)=O)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101416593 560794645 /nfs/dbraw/zinc/79/46/45/560794645.db2.gz QRLRKEUFWYLZIS-UHFFFAOYSA-N -1 1 417.469 2.879 50 0 HFAAMM CCOC(=O)N[C@@]([N-]c1ccc(C(=O)OCC)cc1)(C(=O)OCC)C(F)(F)F ZINC000005736969 560861461 /nfs/dbraw/zinc/86/14/61/560861461.db2.gz BKZGIBVURIKADK-INIZCTEOSA-N -1 1 406.357 2.843 50 0 HFAAMM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000012129632 560889848 /nfs/dbraw/zinc/88/98/48/560889848.db2.gz YZIGGOBLRUQLKJ-CYBMUJFWSA-N -1 1 405.458 2.728 50 0 HFAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(NNc3ccccc3)nc2[O-])cc1 ZINC000008315682 568497546 /nfs/dbraw/zinc/49/75/46/568497546.db2.gz DGLSEQWHOWQAEZ-MRXNPFEDSA-N -1 1 412.471 2.807 50 0 HFAAMM O=C1O[C@H](c2c(=O)[nH]c(=O)n(-c3cccc(C(F)(F)F)c3)c2[O-])c2ccccc21 ZINC000095483428 568634917 /nfs/dbraw/zinc/63/49/17/568634917.db2.gz XQUGQHXYPVLXFB-AWEZNQCLSA-N -1 1 404.300 2.510 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccn(C)n3)cc2)cc1 ZINC000012508446 568840119 /nfs/dbraw/zinc/84/01/19/568840119.db2.gz JWMFHFAAIYALPI-UHFFFAOYSA-N -1 1 400.460 2.872 50 0 HFAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccccc1 ZINC000029893230 568846842 /nfs/dbraw/zinc/84/68/42/568846842.db2.gz SBUIIEGSAGQCKG-UHFFFAOYSA-N -1 1 422.466 2.934 50 0 HFAAMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(C2SCCS2)cc1 ZINC000012556578 568855796 /nfs/dbraw/zinc/85/57/96/568855796.db2.gz LFGDJSKWNYCICU-UHFFFAOYSA-N -1 1 400.503 2.833 50 0 HFAAMM CCc1cc2c(COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc(=O)oc2cc1[O-] ZINC000003433108 568902030 /nfs/dbraw/zinc/90/20/30/568902030.db2.gz LOGRPFVPDRQCQI-CQSZACIVSA-N -1 1 411.410 2.746 50 0 HFAAMM COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc21 ZINC000001320750 568914299 /nfs/dbraw/zinc/91/42/99/568914299.db2.gz UOWYHZGNVLCRQS-UHFFFAOYSA-N -1 1 416.411 2.774 50 0 HFAAMM COC(=O)Cc1cc(=O)[n-]c(SCc2nc3ccccc3c(C)c2C(=O)OC)n1 ZINC000012700499 568917496 /nfs/dbraw/zinc/91/74/96/568917496.db2.gz LRPLSSIRIHRWEO-UHFFFAOYSA-N -1 1 413.455 2.833 50 0 HFAAMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2sc1=O ZINC000015785766 569006096 /nfs/dbraw/zinc/00/60/96/569006096.db2.gz KQRVYJDNJQCYKG-UHFFFAOYSA-N -1 1 403.485 2.528 50 0 HFAAMM O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000006414666 569046905 /nfs/dbraw/zinc/04/69/05/569046905.db2.gz DCSWFYUELOVNEA-UHFFFAOYSA-N -1 1 411.365 2.877 50 0 HFAAMM COc1ccccc1CN(C(=O)c1ccccc1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000064791893 569095740 /nfs/dbraw/zinc/09/57/40/569095740.db2.gz XHIJHAYSHBFLSK-UHFFFAOYSA-N -1 1 403.442 2.890 50 0 HFAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2oc1=O ZINC000064818912 569101702 /nfs/dbraw/zinc/10/17/02/569101702.db2.gz NKXNVMZSZGWTIY-UHFFFAOYSA-N -1 1 404.444 2.657 50 0 HFAAMM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000006941100 569186609 /nfs/dbraw/zinc/18/66/09/569186609.db2.gz NAMCCHUYBDDSMT-UHFFFAOYSA-N -1 1 401.799 2.853 50 0 HFAAMM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nn1 ZINC000007428231 569238473 /nfs/dbraw/zinc/23/84/73/569238473.db2.gz AQLMCUQRNKZYHZ-UHFFFAOYSA-N -1 1 403.485 2.738 50 0 HFAAMM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000089821077 569266580 /nfs/dbraw/zinc/26/65/80/569266580.db2.gz PGCZXGBFUBOPFR-GFCCVEGCSA-N -1 1 414.850 2.713 50 0 HFAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016980838 569270324 /nfs/dbraw/zinc/27/03/24/569270324.db2.gz RORILSNPVVBRAM-UHFFFAOYSA-N -1 1 423.473 2.532 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1OC ZINC000007708251 569280766 /nfs/dbraw/zinc/28/07/66/569280766.db2.gz XXNHHISUAPVPHM-UHFFFAOYSA-N -1 1 406.460 2.640 50 0 HFAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2[nH]c1=O ZINC000002465099 569291899 /nfs/dbraw/zinc/29/18/99/569291899.db2.gz NEPLWADOHMETOK-UHFFFAOYSA-N -1 1 419.768 2.689 50 0 HFAAMM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1C ZINC000007728330 569303613 /nfs/dbraw/zinc/30/36/13/569303613.db2.gz CLWFVEPWEHWLLM-UHFFFAOYSA-N -1 1 404.460 2.633 50 0 HFAAMM CC(C)CCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000039516472 571132369 /nfs/dbraw/zinc/13/23/69/571132369.db2.gz OXLHZCQPBOIQNH-QGZVFWFLSA-N -1 1 416.547 2.885 50 0 HFAAMM COc1ccc(CNC(=O)c2nc3ccc(Br)cc3c(=O)[n-]2)cc1O ZINC000040151512 571199257 /nfs/dbraw/zinc/19/92/57/571199257.db2.gz SMVKWLRXPYDSRS-UHFFFAOYSA-N -1 1 404.220 2.742 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CC(=O)OC)cc2)cc1 ZINC000009338431 571249454 /nfs/dbraw/zinc/24/94/54/571249454.db2.gz GBXFJQIJTGKZCA-CQSZACIVSA-N -1 1 420.487 2.568 50 0 HFAAMM COc1ccc(NC(=O)Cc2sc(NNc3ccccc3)nc2[O-])c(OC)c1 ZINC000009751149 571284181 /nfs/dbraw/zinc/28/41/81/571284181.db2.gz GCGBUCCWYYLPQV-MRXNPFEDSA-N -1 1 400.460 2.647 50 0 HFAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cccc(F)c1 ZINC000005144768 132303230 /nfs/dbraw/zinc/30/32/30/132303230.db2.gz FBPGZTORHJJISZ-UHFFFAOYSA-N -1 1 414.462 2.920 50 0 HFAAMM COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(OC)cc1Br ZINC000032601673 522898492 /nfs/dbraw/zinc/89/84/92/522898492.db2.gz XPZPLANFFWNDFY-UHFFFAOYSA-N -1 1 416.249 2.965 50 0 HFAAMM O=C(c1cc(Cl)ccc1[O-])N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000032972143 526610221 /nfs/dbraw/zinc/61/02/21/526610221.db2.gz SLSYRJXJEAUDRE-UHFFFAOYSA-N -1 1 421.327 2.907 50 0 HFAAMM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000017010246 536562379 /nfs/dbraw/zinc/56/23/79/536562379.db2.gz BOSVLVUEMKXTEZ-UHFFFAOYSA-N -1 1 424.544 2.825 50 0 HFAAMM O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)Nc1ccccc1F ZINC000002692098 557368435 /nfs/dbraw/zinc/36/84/35/557368435.db2.gz RCWUBZJTIPMVAR-UHFFFAOYSA-N -1 1 419.459 2.885 50 0 HFAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 ZINC000002857861 557408125 /nfs/dbraw/zinc/40/81/25/557408125.db2.gz NSEDCJWOHBWSQZ-UHFFFAOYSA-N -1 1 402.497 2.966 50 0 HFAAMM CCOc1ccc2nc(NC(=O)[C@H](CC)Sc3nc(N)cc(=O)[n-]3)sc2c1 ZINC000004385484 557549995 /nfs/dbraw/zinc/54/99/95/557549995.db2.gz BHBJKAMCDTUMSR-NSHDSACASA-N -1 1 405.505 2.870 50 0 HFAAMM COCCN1CCn2c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3nc2C1 ZINC000005207482 557640148 /nfs/dbraw/zinc/64/01/48/557640148.db2.gz KRGUZBKAVSCCDB-UHFFFAOYSA-N -1 1 420.922 2.953 50 0 HFAAMM Nc1nc(SCC(=O)Nc2ccc(F)cc2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712440 557746081 /nfs/dbraw/zinc/74/60/81/557746081.db2.gz DZNKKKOWOXEVCG-UHFFFAOYSA-N -1 1 419.463 2.536 50 0 HFAAMM O=c1oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2n1CN1CCCCC1 ZINC000003028179 557782800 /nfs/dbraw/zinc/78/28/00/557782800.db2.gz JBWWDKHSXCPTSZ-UHFFFAOYSA-N -1 1 405.451 2.978 50 0 HFAAMM COC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000010112591 557855594 /nfs/dbraw/zinc/85/55/94/557855594.db2.gz SYRSIRMJZCMROF-UHFFFAOYSA-N -1 1 402.472 2.513 50 0 HFAAMM COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000025599831 558645395 /nfs/dbraw/zinc/64/53/95/558645395.db2.gz HVSSDXFWTJFXGJ-QGZVFWFLSA-N -1 1 419.503 2.581 50 0 HFAAMM CSc1nc(C)c(CCC(=O)NC[C@H](c2ccccc2Cl)N(C)C)c(=O)[n-]1 ZINC000029045547 558708809 /nfs/dbraw/zinc/70/88/09/558708809.db2.gz VTUOLBXSOROXII-MRXNPFEDSA-N -1 1 408.955 2.805 50 0 HFAAMM NC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1F ZINC000033063558 558956525 /nfs/dbraw/zinc/95/65/25/558956525.db2.gz XKEMMKPYTRLCHI-UHFFFAOYSA-N -1 1 413.430 2.978 50 0 HFAAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC2(CN(C[C@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000072480729 558984063 /nfs/dbraw/zinc/98/40/63/558984063.db2.gz IFPDYJMQMCJEQS-HNNXBMFYSA-N -1 1 412.490 2.583 50 0 HFAAMM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCN(Cc3cc(F)cc(F)c3)CC1)C2 ZINC000067562685 558987296 /nfs/dbraw/zinc/98/72/96/558987296.db2.gz KTIQAMCOKQXNIS-GOSISDBHSA-N -1 1 418.488 2.945 50 0 HFAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2s1 ZINC000033298886 559048149 /nfs/dbraw/zinc/04/81/49/559048149.db2.gz OSYKJVALETYLQY-UHFFFAOYSA-N -1 1 412.514 2.899 50 0 HFAAMM COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205976419 559198187 /nfs/dbraw/zinc/19/81/87/559198187.db2.gz CSUPJEQBEWIFDD-ZDUSSCGKSA-N -1 1 410.817 2.692 50 0 HFAAMM CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O ZINC000004928616 559208506 /nfs/dbraw/zinc/20/85/06/559208506.db2.gz AASADRYWYTZODW-UHFFFAOYSA-N -1 1 417.462 2.998 50 0 HFAAMM COC(=O)C[C@H](c1cccc2nccnc21)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000206253754 560555481 /nfs/dbraw/zinc/55/54/81/560555481.db2.gz OMESGOKRSSLJEP-CYBMUJFWSA-N -1 1 410.817 2.692 50 0 HFAAMM COc1ccc(N2N=C(C(C)=O)[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C32)cc1 ZINC000101116562 560786920 /nfs/dbraw/zinc/78/69/20/560786920.db2.gz NBMUROVNAAZXJE-PKOBYXMFSA-N -1 1 411.845 2.980 50 0 HFAAMM COC(=O)c1ccc([C@@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102627945 560818531 /nfs/dbraw/zinc/81/85/31/560818531.db2.gz CQIPNYUTQSZYGA-AWEZNQCLSA-N -1 1 400.394 2.688 50 0 HFAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000012123375 560889473 /nfs/dbraw/zinc/88/94/73/560889473.db2.gz WHOZBGHEXWHIJY-CLTKARDFSA-N -1 1 405.414 2.522 50 0 HFAAMM CCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 ZINC000012124888 560889558 /nfs/dbraw/zinc/88/95/58/560889558.db2.gz SVGNWGJMJIIQKG-UHFFFAOYSA-N -1 1 406.402 2.896 50 0 HFAAMM COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[n-]2)c(OC)c1 ZINC000012126927 560889762 /nfs/dbraw/zinc/88/97/62/560889762.db2.gz HVMVGATUCDMAIS-UHFFFAOYSA-N -1 1 409.446 2.719 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1C ZINC000085808784 568442426 /nfs/dbraw/zinc/44/24/26/568442426.db2.gz JBWDMAZKDSMFRI-UHFFFAOYSA-N -1 1 415.475 2.718 50 0 HFAAMM CN(C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)c1ccccc1 ZINC000021537213 568712280 /nfs/dbraw/zinc/71/22/80/568712280.db2.gz WXWFFJQVDLSURK-UHFFFAOYSA-N -1 1 409.446 2.979 50 0 HFAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)N(C)c3ccccc3)n2)cc1 ZINC000021537286 568712375 /nfs/dbraw/zinc/71/23/75/568712375.db2.gz KIOWGUMFSKIGBB-UHFFFAOYSA-N -1 1 421.482 2.848 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2)cc1 ZINC000025304761 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Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000079022709 569424477 /nfs/dbraw/zinc/42/44/77/569424477.db2.gz JFFGTUNBJPUMBW-UHFFFAOYSA-N -1 1 422.514 2.766 50 0 HFAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)n1 ZINC000009058041 571217018 /nfs/dbraw/zinc/21/70/18/571217018.db2.gz HSUAHJOBDBIMFO-CQSZACIVSA-N -1 1 402.520 2.575 50 0 HFAAMM CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-] ZINC000009358191 571251449 /nfs/dbraw/zinc/25/14/49/571251449.db2.gz GUTQLDFUWACKKM-IBGZPJMESA-N -1 1 422.872 2.943 50 0 biogenic HFAAMM COc1ccc(NC(=O)Cc2sc(NNc3ccccc3)nc2[O-])c(OC)c1 ZINC000009751157 571284176 /nfs/dbraw/zinc/28/41/76/571284176.db2.gz GCGBUCCWYYLPQV-INIZCTEOSA-N -1 1 400.460 2.647 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc(OC)c1OC ZINC000007323275 132323754 /nfs/dbraw/zinc/32/37/54/132323754.db2.gz ZHJPHSTWEQJHED-UHFFFAOYSA-N -1 1 420.487 2.812 50 0 HFAAMM CC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1 ZINC000032074475 519590553 /nfs/dbraw/zinc/59/05/53/519590553.db2.gz XVPIMELRCPIJFL-OAQYLSRUSA-N -1 1 420.469 2.710 50 0 HFAAMM C[C@@]1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)NC(=O)NC1=O ZINC000032818918 525891833 /nfs/dbraw/zinc/89/18/33/525891833.db2.gz XRQOJYQVZSVQSQ-INIZCTEOSA-N -1 1 414.270 2.849 50 0 HFAAMM O=C1[N-]C(=O)C2(COC(c3cc(Br)c(Br)o3)OC2)S1 ZINC000000990033 557133899 /nfs/dbraw/zinc/13/38/99/557133899.db2.gz HCQAEQFKCGHZTH-UHFFFAOYSA-N -1 1 413.043 2.572 50 0 HFAAMM O=C(Cn1nc(C(F)F)cc1C(F)F)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002791114 557764051 /nfs/dbraw/zinc/76/40/51/557764051.db2.gz IKBSQUZAWHORKH-UHFFFAOYSA-N -1 1 401.345 2.527 50 0 HFAAMM O=c1c([C@@H]2NCCc3ccccc32)c([O-])n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000020192025 558344556 /nfs/dbraw/zinc/34/45/56/558344556.db2.gz PFMLNINVFVGEML-JOCHJYFZSA-N -1 1 411.461 2.929 50 0 HFAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012975348 558491010 /nfs/dbraw/zinc/49/10/10/558491010.db2.gz VLPBNVCZXKUYPF-GASCZTMLSA-N -1 1 401.532 2.939 50 0 HFAAMM CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)C=Cc1ccc(Cl)cc1 ZINC000022471460 558491496 /nfs/dbraw/zinc/49/14/96/558491496.db2.gz OJZDTOXWIVZGLR-FMIVXFBMSA-N -1 1 424.888 2.868 50 0 HFAAMM CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)c1cccc2ccccc21 ZINC000022471581 558491554 /nfs/dbraw/zinc/49/15/54/558491554.db2.gz VOAWAQAXZOJNKX-UHFFFAOYSA-N -1 1 414.465 2.968 50 0 HFAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCN2CCCC2=O)cc1 ZINC000022626356 558503489 /nfs/dbraw/zinc/50/34/89/558503489.db2.gz IAFCIKMKOPCZAM-UHFFFAOYSA-N -1 1 417.535 2.525 50 0 HFAAMM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)cc(=O)[n-]1)CCCC2 ZINC000013894870 558600290 /nfs/dbraw/zinc/60/02/90/558600290.db2.gz UDNXYHMUVDLLRO-UHFFFAOYSA-N -1 1 407.517 2.926 50 0 HFAAMM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000024864697 558617978 /nfs/dbraw/zinc/61/79/78/558617978.db2.gz YSMRXRKZSNJLOS-UHFFFAOYSA-N -1 1 411.277 2.947 50 0 HFAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)[C@H](C)O4)cc2C[C@@H]1C ZINC000028687279 558703617 /nfs/dbraw/zinc/70/36/17/558703617.db2.gz SKRXBXZQQOHMPI-RYUDHWBXSA-N -1 1 415.471 2.504 50 0 HFAAMM COc1cc(C(Cc2c([O-])cc(C)oc2=O)Cc2c(O)cc(C)oc2=O)ccc1O ZINC000016756424 558805769 /nfs/dbraw/zinc/80/57/69/558805769.db2.gz JFKPXGXRRGGJCO-UHFFFAOYSA-N -1 1 414.410 2.904 50 0 HFAAMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3C)n2)c1F ZINC000097163908 558998278 /nfs/dbraw/zinc/99/82/78/558998278.db2.gz GQYAIENBNDYPLB-UHFFFAOYSA-N -1 1 423.397 2.588 50 0 HFAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1c(Cl)nc2ccccn21 ZINC000060760239 559057044 /nfs/dbraw/zinc/05/70/44/559057044.db2.gz PKMZCGNENRCMJT-UHFFFAOYSA-N -1 1 420.878 2.730 50 0 HFAAMM Cc1cc2cccc(C(=O)N3CC[C@H](N4CCOCC4)[C@H](CCC(=O)[O-])C3)c2o1 ZINC000091663202 559072794 /nfs/dbraw/zinc/07/27/94/559072794.db2.gz QYYVHLIJKHGMET-MJGOQNOKSA-N -1 1 400.475 2.769 50 0 HFAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1 ZINC000005153945 559254357 /nfs/dbraw/zinc/25/43/57/559254357.db2.gz KBUDPETYUZZLMO-GFCCVEGCSA-N -1 1 400.456 2.670 50 0 HFAAMM COc1ccc2nc(N3CCCCC3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000100717843 559259621 /nfs/dbraw/zinc/25/96/21/559259621.db2.gz YSUSOZARZSVROM-PDGQHHTCSA-N -1 1 410.499 2.838 50 0 HFAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2F)n1 ZINC000012006389 559270964 /nfs/dbraw/zinc/27/09/64/559270964.db2.gz QKUXYLUGVUZTGS-UHFFFAOYSA-N -1 1 409.377 2.681 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc1OC ZINC000101078680 560771310 /nfs/dbraw/zinc/77/13/10/560771310.db2.gz NIVCEOCNQGEBEV-LBPRGKRZSA-N -1 1 402.472 2.901 50 0 HFAAMM COc1ccc(CCn2c(C)cc(C(=O)CSc3nc(N)cc(=O)[n-]3)c2C)cc1 ZINC000018205552 560784265 /nfs/dbraw/zinc/78/42/65/560784265.db2.gz GGIHBWIFOBNXSB-UHFFFAOYSA-N -1 1 412.515 2.997 50 0 HFAAMM CCCCn1c([O-])c(C2=NN[C@H](c3cc(OC)ccc3OC)C2)c(=O)[nH]c1=S ZINC000101495207 560796326 /nfs/dbraw/zinc/79/63/26/560796326.db2.gz RKZNBZAOEOVIOX-ZDUSSCGKSA-N -1 1 404.492 2.867 50 0 HFAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)C[C@H]1c1ccccc1 ZINC000101764937 560799450 /nfs/dbraw/zinc/79/94/50/560799450.db2.gz CWIHLKPURHDYPZ-KRWDZBQOSA-N -1 1 410.474 2.835 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCNC(=O)C(C)C)cc2)cc1C ZINC000022384411 568484592 /nfs/dbraw/zinc/48/45/92/568484592.db2.gz MKBOZHNYFKEAGR-UHFFFAOYSA-N -1 1 417.531 2.606 50 0 HFAAMM COCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000021113131 568668617 /nfs/dbraw/zinc/66/86/17/568668617.db2.gz YPOQDAHSGIXKHB-UHFFFAOYSA-N -1 1 409.895 2.859 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000012520851 568841573 /nfs/dbraw/zinc/84/15/73/568841573.db2.gz NYGUHIPWOAMNSY-SFHVURJKSA-N -1 1 404.488 2.795 50 0 HFAAMM CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000058009272 568875188 /nfs/dbraw/zinc/87/51/88/568875188.db2.gz GVQSFYVLEOLWAB-UHFFFAOYSA-N -1 1 421.494 2.857 50 0 HFAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O ZINC000003985260 568931181 /nfs/dbraw/zinc/93/11/81/568931181.db2.gz GIUBVIVPTHIAFT-HXUWFJFHSA-N -1 1 402.454 2.680 50 0 biogenic HFAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccccc2)c1[O-] ZINC000003985260 568931184 /nfs/dbraw/zinc/93/11/84/568931184.db2.gz GIUBVIVPTHIAFT-HXUWFJFHSA-N -1 1 402.454 2.680 50 0 biogenic HFAAMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2oc1=O ZINC000015780482 569002286 /nfs/dbraw/zinc/00/22/86/569002286.db2.gz LPVBUXRXNDTIQT-UHFFFAOYSA-N -1 1 401.444 2.542 50 0 HFAAMM Cc1cc(C)[nH]c(=N[N-]C(=O)c2c(F)ccc(S(=O)(=O)C3CCCC3)c2F)n1 ZINC000253417731 569112719 /nfs/dbraw/zinc/11/27/19/569112719.db2.gz IFTBISJUMLAFFJ-UHFFFAOYSA-N -1 1 410.446 2.845 50 0 HFAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)c1 ZINC000065115464 569179361 /nfs/dbraw/zinc/17/93/61/569179361.db2.gz BUNKNKNUWCKOEL-UHFFFAOYSA-N -1 1 415.471 2.663 50 0 HFAAMM O=S(=O)(CCc1ccccc1)[N-]c1cnn(-c2ncc(N3CCCCC3)cn2)c1 ZINC000065231925 569201315 /nfs/dbraw/zinc/20/13/15/569201315.db2.gz AVJZGFJTQBXAGD-UHFFFAOYSA-N -1 1 412.519 2.637 50 0 HFAAMM COc1ccc(C=CC(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[n-]2)cc1OC ZINC000007421152 569237630 /nfs/dbraw/zinc/23/76/30/569237630.db2.gz DXRFSLRPTGSWNB-VQHVLOKHSA-N -1 1 409.446 2.550 50 0 HFAAMM CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(F)c(F)c2)c1 ZINC000170595720 569241645 /nfs/dbraw/zinc/24/16/45/569241645.db2.gz GYMFCZSFNISMRM-INIZCTEOSA-N -1 1 415.400 2.953 50 0 HFAAMM C[C@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000089929785 569268882 /nfs/dbraw/zinc/26/88/82/569268882.db2.gz ZAZJOGCWUAIUNN-INIZCTEOSA-N -1 1 416.499 2.903 50 0 HFAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)OCc1cc2c(c(Cl)c1)OCO2 ZINC000040153088 571200560 /nfs/dbraw/zinc/20/05/60/571200560.db2.gz HJJSCAGZOZOHSE-UHFFFAOYSA-N -1 1 413.817 2.808 50 0 HFAAMM COc1cccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153172 571231402 /nfs/dbraw/zinc/23/14/02/571231402.db2.gz SNKJKPKETVVRLR-UHFFFAOYSA-N -1 1 423.450 2.687 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000009444246 571259425 /nfs/dbraw/zinc/25/94/25/571259425.db2.gz VQMYIUOTICTODT-UHFFFAOYSA-N -1 1 424.544 2.979 50 0 HFAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)NC1CC1 ZINC000009631575 571274642 /nfs/dbraw/zinc/27/46/42/571274642.db2.gz HMAOWGUMJGALDI-LLVKDONJSA-N -1 1 424.425 2.590 50 0 HFAAMM COCCN1Cc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2O[C@H](C)C1=O ZINC000035886793 571317107 /nfs/dbraw/zinc/31/71/07/571317107.db2.gz GVXGCGSAANJJLU-CYBMUJFWSA-N -1 1 424.906 2.897 50 0 HFAAMM Nc1ccc2c(c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc3ccccc3)C1=O)[C@H]1CCCCCN21 ZINC000008995448 132334799 /nfs/dbraw/zinc/33/47/99/132334799.db2.gz LACJPBMUJNLERX-YKSBVNFPSA-N -1 1 418.497 2.839 50 0 HFAAMM CC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000032104784 519590190 /nfs/dbraw/zinc/59/01/90/519590190.db2.gz VFLWWCBOIWXHGP-NRFANRHFSA-N -1 1 420.469 2.710 50 0 HFAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1 ZINC000032943790 522133731 /nfs/dbraw/zinc/13/37/31/522133731.db2.gz ROJDJVJDXCVQDM-UHFFFAOYSA-N -1 1 406.485 2.733 50 0 HFAAMM COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000040313031 525277510 /nfs/dbraw/zinc/27/75/10/525277510.db2.gz GTERNVCETCJXAC-PZJWPPBQSA-N -1 1 420.469 2.771 50 0 biogenic HFAAMM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000030694011 526493229 /nfs/dbraw/zinc/49/32/29/526493229.db2.gz JXHWQENSZNRYBZ-KRWDZBQOSA-N -1 1 405.292 2.958 50 0 HFAAMM O=S(=O)([N-]CCn1c(-c2ccncc2)nc2cccnc21)c1cc(F)ccc1F ZINC000032949748 527220437 /nfs/dbraw/zinc/22/04/37/527220437.db2.gz VNXSKCJCLPOQGD-UHFFFAOYSA-N -1 1 415.425 2.750 50 0 HFAAMM COc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000005447778 557654668 /nfs/dbraw/zinc/65/46/68/557654668.db2.gz JRLDOIFFCNLULS-UHFFFAOYSA-N -1 1 413.931 2.948 50 0 HFAAMM COc1cc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)ccc1O ZINC000005670176 557667616 /nfs/dbraw/zinc/66/76/16/557667616.db2.gz YDQFNABJYNXWLR-CYBMUJFWSA-N -1 1 407.352 2.898 50 0 HFAAMM Cc1cc(C)n(Cc2cccc(C(=O)Nn3c(=O)c4ccccc4[n-]c3=S)c2)n1 ZINC000002793918 557764901 /nfs/dbraw/zinc/76/49/01/557764901.db2.gz ADWDMQHDZZJXRG-UHFFFAOYSA-N -1 1 405.483 2.931 50 0 HFAAMM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccsc3)cc2)n1 ZINC000008636586 557797740 /nfs/dbraw/zinc/79/77/40/557797740.db2.gz XFHNTJYKZUOSAD-UHFFFAOYSA-N -1 1 424.529 2.757 50 0 HFAAMM O=C1CCCC2=C1[C@@H](c1ccc(N3CCOCC3)cc1)c1c(=O)[n-]c(=S)[nH]c1N2 ZINC000001480267 558434423 /nfs/dbraw/zinc/43/44/23/558434423.db2.gz HFILRLAKIIIMFB-MRXNPFEDSA-N -1 1 410.499 2.834 50 0 HFAAMM COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000025599836 558645421 /nfs/dbraw/zinc/64/54/21/558645421.db2.gz HVSSDXFWTJFXGJ-KRWDZBQOSA-N -1 1 419.503 2.581 50 0 HFAAMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(=O)N1CCOCC1 ZINC000016624897 558796899 /nfs/dbraw/zinc/79/68/99/558796899.db2.gz UCGXWSHUYANTNX-UHFFFAOYSA-N -1 1 406.529 2.990 50 0 HFAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCOCC1 ZINC000016649807 558797811 /nfs/dbraw/zinc/79/78/11/558797811.db2.gz REHPHMRXACXFQY-UHFFFAOYSA-N -1 1 410.492 2.821 50 0 HFAAMM COc1ccc(OC)c(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[n-]2)c1 ZINC000018141627 558831961 /nfs/dbraw/zinc/83/19/61/558831961.db2.gz BGGQWMBUELJZBC-UHFFFAOYSA-N -1 1 412.471 2.767 50 0 HFAAMM CCCCN(CC)C(=O)c1c[n-]c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O ZINC000004669942 558880647 /nfs/dbraw/zinc/88/06/47/558880647.db2.gz BJXXBISJDGHEEF-UHFFFAOYSA-N -1 1 407.536 2.821 50 0 HFAAMM CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NC(C)C)c(=O)c2c1 ZINC000004687621 558898161 /nfs/dbraw/zinc/89/81/61/558898161.db2.gz IYOFMSPRGNDKLM-UHFFFAOYSA-N -1 1 413.499 2.882 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)cc1 ZINC000021756808 558948319 /nfs/dbraw/zinc/94/83/19/558948319.db2.gz ZREFSVRYZSLVRS-UHFFFAOYSA-N -1 1 404.488 2.812 50 0 HFAAMM COC(=O)C[C@H](c1ccc2nccnc2c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205976440 559198214 /nfs/dbraw/zinc/19/82/14/559198214.db2.gz CSUPJEQBEWIFDD-CYBMUJFWSA-N -1 1 410.817 2.692 50 0 HFAAMM Cc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000005075800 559241037 /nfs/dbraw/zinc/24/10/37/559241037.db2.gz GXSVNHZEOLDZHR-UHFFFAOYSA-N -1 1 400.909 2.989 50 0 HFAAMM CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O ZINC000100772664 559265276 /nfs/dbraw/zinc/26/52/76/559265276.db2.gz SIMVHTLRSDORIM-NRFANRHFSA-N -1 1 416.481 2.544 50 0 biogenic HFAAMM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000011906021 559266559 /nfs/dbraw/zinc/26/65/59/559266559.db2.gz DRUPMCBYHPGGBS-UHFFFAOYSA-N -1 1 422.528 2.986 50 0 HFAAMM CCc1ccc(-n2nc3c4cc(C(=O)N5CCOCC5)ccc4[n-]cc-3c2=O)cc1 ZINC000101827588 560802503 /nfs/dbraw/zinc/80/25/03/560802503.db2.gz KCYHXVBXYAXBTL-UHFFFAOYSA-N -1 1 402.454 2.853 50 0 HFAAMM Nc1ccc2c(c1)C[C@]1(C(=O)[N-]C(=O)N(Cc3ccccc3)C1=O)[C@@H]1CCCCCN21 ZINC000102787746 560827581 /nfs/dbraw/zinc/82/75/81/560827581.db2.gz LACJPBMUJNLERX-GBXCKJPGSA-N -1 1 418.497 2.839 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000046073918 568426569 /nfs/dbraw/zinc/42/65/69/568426569.db2.gz RHPKIGFYCVMBJW-JTQLQIEISA-N -1 1 412.393 2.965 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(Br)c1)CC(=O)N2 ZINC000046073888 568426646 /nfs/dbraw/zinc/42/66/46/568426646.db2.gz BGGAPBSCDHYOES-SNVBAGLBSA-N -1 1 423.292 2.709 50 0 HFAAMM O=C([C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)N1CCOCC1 ZINC000049421362 568450602 /nfs/dbraw/zinc/45/06/02/568450602.db2.gz VKPNJBGOQLESAS-INIZCTEOSA-N -1 1 424.526 2.727 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nnc4ccccn43)cc2)cc1 ZINC000031805303 568505368 /nfs/dbraw/zinc/50/53/68/568505368.db2.gz APQSVPLODGWQQR-UHFFFAOYSA-N -1 1 423.454 2.791 50 0 HFAAMM Cc1cccc(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1C ZINC000020611820 568637517 /nfs/dbraw/zinc/63/75/17/568637517.db2.gz VQQTVKHWFWOGHY-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1cccc(-n2c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1C ZINC000020611820 568637519 /nfs/dbraw/zinc/63/75/19/568637519.db2.gz VQQTVKHWFWOGHY-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM CC(C)Cn1c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)n(CC(C)C)c1=O ZINC000020612376 568637556 /nfs/dbraw/zinc/63/75/56/568637556.db2.gz QTGZPFITSJCCAH-FQEVSTJZSA-N -1 1 410.518 2.744 50 0 biogenic HFAAMM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1C ZINC000020757052 568641499 /nfs/dbraw/zinc/64/14/99/568641499.db2.gz KDIABRVWBLQVNH-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1ccc(-n2c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1C ZINC000020757052 568641500 /nfs/dbraw/zinc/64/15/00/568641500.db2.gz KDIABRVWBLQVNH-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)cc1OC ZINC000020923373 568651094 /nfs/dbraw/zinc/65/10/94/568651094.db2.gz HLTOJFYFGILHHA-NSHDSACASA-N -1 1 420.512 2.888 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3([S@@](C)=O)CC3)cc2)cc1C ZINC000225673420 568662737 /nfs/dbraw/zinc/66/27/37/568662737.db2.gz XJYWPHJKVUJCFR-HHHXNRCGSA-N -1 1 420.556 2.745 50 0 HFAAMM Cc1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]c(=O)c1CCO ZINC000012415033 568717594 /nfs/dbraw/zinc/71/75/94/568717594.db2.gz FGBJPNOHLAWVBY-UHFFFAOYSA-N -1 1 412.393 2.974 50 0 HFAAMM CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021712859 568748567 /nfs/dbraw/zinc/74/85/67/568748567.db2.gz VBNMEEJARLWVPL-IBGZPJMESA-N -1 1 415.515 2.618 50 0 HFAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000012637206 568883659 /nfs/dbraw/zinc/88/36/59/568883659.db2.gz IEOQBSQIKXANRG-MRXNPFEDSA-N -1 1 423.498 2.756 50 0 HFAAMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000003417398 568899281 /nfs/dbraw/zinc/89/92/81/568899281.db2.gz ACAKAUMLYRKRLM-UHFFFAOYSA-N -1 1 424.422 2.636 50 0 HFAAMM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2NC1=O ZINC000015731115 568981024 /nfs/dbraw/zinc/98/10/24/568981024.db2.gz PNDNGIASPFSBSY-NSHDSACASA-N -1 1 406.485 2.939 50 0 HFAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1 ZINC000015730833 568981398 /nfs/dbraw/zinc/98/13/98/568981398.db2.gz KFXBWYXLLNIINQ-LLVKDONJSA-N -1 1 406.485 2.954 50 0 HFAAMM CC(C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000008315532 568990030 /nfs/dbraw/zinc/99/00/30/568990030.db2.gz WGYYHOJOHFORPC-INIZCTEOSA-N -1 1 402.520 2.637 50 0 HFAAMM CNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000035480180 569038729 /nfs/dbraw/zinc/03/87/29/569038729.db2.gz YOVDDXVQNLHDAD-UHFFFAOYSA-N -1 1 410.293 2.952 50 0 HFAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013003767 569049378 /nfs/dbraw/zinc/04/93/78/569049378.db2.gz KGINRYXDLGRCHH-UHFFFAOYSA-N -1 1 419.275 2.841 50 0 HFAAMM CCOC(=S)SCC(=O)[N-]C(=O)c1ccc(I)cc1 ZINC000036108821 569093197 /nfs/dbraw/zinc/09/31/97/569093197.db2.gz CBKBJXRRCWXLGC-UHFFFAOYSA-N -1 1 409.270 2.602 50 0 HFAAMM COc1ccc(CN(C(=O)c2cccs2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000064791875 569095792 /nfs/dbraw/zinc/09/57/92/569095792.db2.gz GRIGOUGMVZCHGD-UHFFFAOYSA-N -1 1 409.471 2.952 50 0 HFAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2oc1=O ZINC000064818845 569101657 /nfs/dbraw/zinc/10/16/57/569101657.db2.gz KUKQIRDVXLLWQF-UHFFFAOYSA-N -1 1 418.471 2.965 50 0 HFAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc21 ZINC000064861805 569110503 /nfs/dbraw/zinc/11/05/03/569110503.db2.gz LBDDBKNRQZXATC-UHFFFAOYSA-N -1 1 417.487 2.741 50 0 HFAAMM O=C(c1noc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21)N1CCOCC1 ZINC000065115390 569179385 /nfs/dbraw/zinc/17/93/85/569179385.db2.gz KHQUIYWXEKSKMJ-UHFFFAOYSA-N -1 1 421.862 2.754 50 0 HFAAMM CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O ZINC000006920271 569181766 /nfs/dbraw/zinc/18/17/66/569181766.db2.gz OJDSOASLISCJAK-GJZGRUSLSA-N -1 1 419.547 2.725 50 0 HFAAMM COc1cc(C(=O)Nc2nn3c([n-]2)nc(-c2ccccc2)cc3=O)cc(OC)c1OC ZINC000010060467 569253229 /nfs/dbraw/zinc/25/32/29/569253229.db2.gz HASDFAUAGBGNMD-UHFFFAOYSA-N -1 1 421.413 2.775 50 0 HFAAMM CCCCNC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291462 571067394 /nfs/dbraw/zinc/06/73/94/571067394.db2.gz SIAIXWAVDWBTTK-UHFFFAOYSA-N -1 1 404.511 2.888 50 0 HFAAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)c2ccc(Br)s2)n1 ZINC000008753482 571112788 /nfs/dbraw/zinc/11/27/88/571112788.db2.gz QQONIZKLTFXWAD-UHFFFAOYSA-N -1 1 403.279 2.697 50 0 HFAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCCC[C@H]1C1OCCO1 ZINC000069283289 571217580 /nfs/dbraw/zinc/21/75/80/571217580.db2.gz IIDWRRLQHAYNIM-IBGZPJMESA-N -1 1 416.499 2.855 50 0 HFAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4nnc5n4CCCCC5)cc3)cc2[nH]1 ZINC000009914127 571290129 /nfs/dbraw/zinc/29/01/29/571290129.db2.gz ZFKAVWZDCHMTIO-UHFFFAOYSA-N -1 1 424.486 2.642 50 0 HFAAMM Cc1c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)oc2cc(O)cc([O-])c12 ZINC000006660266 132312624 /nfs/dbraw/zinc/31/26/24/132312624.db2.gz BRUCYAIGXIGZNL-UHFFFAOYSA-N -1 1 412.417 2.543 50 0 HFAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccccc3O)CC2)c1 ZINC000012587878 132364681 /nfs/dbraw/zinc/36/46/81/132364681.db2.gz DZIZONNXDHBWMF-UHFFFAOYSA-N -1 1 409.515 2.971 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000001127589 557196051 /nfs/dbraw/zinc/19/60/51/557196051.db2.gz MWETYYAIQGBUMS-UHFFFAOYSA-N -1 1 424.544 2.979 50 0 HFAAMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000004751805 557593105 /nfs/dbraw/zinc/59/31/05/557593105.db2.gz BHJNKXFZERABME-UHFFFAOYSA-N -1 1 408.432 2.836 50 0 HFAAMM Nc1nc(SCC(=O)Nc2ccccc2F)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712438 557746032 /nfs/dbraw/zinc/74/60/32/557746032.db2.gz AXUWTFBBNZNNIU-UHFFFAOYSA-N -1 1 419.463 2.536 50 0 HFAAMM Cc1nc(N=C2NC([O-])=C[C@H](C(=O)Nc3ccc(Cl)cc3)N2)nc2ccccc12 ZINC000009042959 557820133 /nfs/dbraw/zinc/82/01/33/557820133.db2.gz JDBPNCSZIHLCFS-MRXNPFEDSA-N -1 1 408.849 2.887 50 0 HFAAMM O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1cc(Cl)ccc1Cl ZINC000022470840 558491381 /nfs/dbraw/zinc/49/13/81/558491381.db2.gz MFGVXPBIOBOSCS-UHFFFAOYSA-N -1 1 419.268 2.780 50 0 HFAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000022893832 558518901 /nfs/dbraw/zinc/51/89/01/558518901.db2.gz HZBORRREJVOCEN-MRXNPFEDSA-N -1 1 400.548 2.547 50 0 HFAAMM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1(C)C ZINC000014245881 558646815 /nfs/dbraw/zinc/64/68/15/558646815.db2.gz MNCGCCUBOBSYLI-MAUKXSAKSA-N -1 1 408.520 2.590 50 0 HFAAMM C[C@@H](Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)N1CCOCC1 ZINC000028384612 558699824 /nfs/dbraw/zinc/69/98/24/558699824.db2.gz NKCLIYOGNIPLQS-CQSZACIVSA-N -1 1 423.922 2.800 50 0 HFAAMM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1 ZINC000033027535 558850669 /nfs/dbraw/zinc/85/06/69/558850669.db2.gz KHBHSLGDZFMQMA-UHFFFAOYSA-N -1 1 407.477 2.644 50 0 HFAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000058419146 558925675 /nfs/dbraw/zinc/92/56/75/558925675.db2.gz BJEJTUNEFFKLOQ-HXUWFJFHSA-N -1 1 424.545 2.776 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)cc1F ZINC000021756908 558948556 /nfs/dbraw/zinc/94/85/56/558948556.db2.gz ZEANFIPDTCIVBC-UHFFFAOYSA-N -1 1 422.478 2.951 50 0 HFAAMM COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c([O-])nc2ccccn2c1=O ZINC000205967687 559190262 /nfs/dbraw/zinc/19/02/62/559190262.db2.gz MPNQCNRVXKJHNF-INIZCTEOSA-N -1 1 418.409 2.677 50 0 HFAAMM CCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000004865360 559193711 /nfs/dbraw/zinc/19/37/11/559193711.db2.gz BWGDEHZOLWCWRO-UHFFFAOYSA-N -1 1 419.503 2.681 50 0 HFAAMM CC(C)NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000005294136 560562235 /nfs/dbraw/zinc/56/22/35/560562235.db2.gz AULVQHMHUZPUCZ-INIZCTEOSA-N -1 1 402.520 2.637 50 0 HFAAMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000206847737 560749321 /nfs/dbraw/zinc/74/93/21/560749321.db2.gz BSQWMEBMAURTRC-INIZCTEOSA-N -1 1 421.425 2.943 50 0 HFAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc1 ZINC000101079095 560771436 /nfs/dbraw/zinc/77/14/36/560771436.db2.gz KBUDPETYUZZLMO-LBPRGKRZSA-N -1 1 400.456 2.670 50 0 HFAAMM COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(O)=C23)cc1OC ZINC000101266938 560790864 /nfs/dbraw/zinc/79/08/64/560790864.db2.gz MKQGWNMIWYQBOC-AEFFLSMTSA-N -1 1 400.818 2.958 50 0 HFAAMM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2[O-])=NN1 ZINC000101763037 560800915 /nfs/dbraw/zinc/80/09/15/560800915.db2.gz SGPQURCRQBRBCI-KRWDZBQOSA-N -1 1 420.469 2.686 50 0 HFAAMM CCC(=O)N(Cc1ccc(Br)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101877985 560852485 /nfs/dbraw/zinc/85/24/85/560852485.db2.gz PJXAQQAEUMYREI-UHFFFAOYSA-N -1 1 404.268 2.740 50 0 HFAAMM O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000051316689 560856522 /nfs/dbraw/zinc/85/65/22/560856522.db2.gz AJBMGLFUVYJWTN-UHFFFAOYSA-N -1 1 421.438 2.568 50 0 HFAAMM CCc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1 ZINC000085808631 568442268 /nfs/dbraw/zinc/44/22/68/568442268.db2.gz OGAXAGKIKKJWLM-UHFFFAOYSA-N -1 1 415.475 2.664 50 0 HFAAMM Cc1ccc(C)c(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1 ZINC000020757300 568641741 /nfs/dbraw/zinc/64/17/41/568641741.db2.gz DFETYLIKBIBOAP-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1ccc(C)c(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000020757300 568641742 /nfs/dbraw/zinc/64/17/42/568641742.db2.gz DFETYLIKBIBOAP-OAQYLSRUSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM O=S(=O)([N-][C@H]1CCCN(c2cc(-c3ccncc3)[nH]n2)C1)c1cc(F)ccc1F ZINC000096309492 568723926 /nfs/dbraw/zinc/72/39/26/568723926.db2.gz XDPAZXBLTQMZCR-HNNXBMFYSA-N -1 1 419.457 2.697 50 0 HFAAMM Cc1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012520907 568841424 /nfs/dbraw/zinc/84/14/24/568841424.db2.gz JIJSOEYLKNOPFM-UHFFFAOYSA-N -1 1 423.454 2.613 50 0 HFAAMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)c1 ZINC000012536044 568845456 /nfs/dbraw/zinc/84/54/56/568845456.db2.gz YRUUSQLMEMNRDQ-UHFFFAOYSA-N -1 1 413.459 2.571 50 0 HFAAMM CCOC(=O)c1sc2[n-]c(COC(=O)COc3ccccc3F)nc(=O)c2c1C ZINC000003335212 568855211 /nfs/dbraw/zinc/85/52/11/568855211.db2.gz MHCXJWFTUBOEKB-UHFFFAOYSA-N -1 1 420.418 2.731 50 0 HFAAMM CCc1cc2c(COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc(=O)oc2cc1[O-] ZINC000003433105 568902003 /nfs/dbraw/zinc/90/20/03/568902003.db2.gz LOGRPFVPDRQCQI-AWEZNQCLSA-N -1 1 411.410 2.746 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)cc1Br ZINC000003447783 568904848 /nfs/dbraw/zinc/90/48/48/568904848.db2.gz ROCCEHPGYWVXCP-UHFFFAOYSA-N -1 1 424.280 2.543 50 0 HFAAMM Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000012650722 568906433 /nfs/dbraw/zinc/90/64/33/568906433.db2.gz BBYJTBDPJPIIMW-UHFFFAOYSA-N -1 1 418.500 2.784 50 0 HFAAMM CCC(=O)N(c1nnc(SCC(=O)[N-]C(=O)c2ccccc2OC)s1)C1CC1 ZINC000012676754 568907396 /nfs/dbraw/zinc/90/73/96/568907396.db2.gz UPNMSPKBHLHDSH-UHFFFAOYSA-N -1 1 420.516 2.501 50 0 HFAAMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 ZINC000003621005 568920659 /nfs/dbraw/zinc/92/06/59/568920659.db2.gz NLAMYHVGZPHQSK-UHFFFAOYSA-N -1 1 414.405 2.979 50 0 HFAAMM CCc1cc2c(COC(=O)c3ccccc3S(C)(=O)=O)cc(=O)oc2cc1[O-] ZINC000012782061 568958294 /nfs/dbraw/zinc/95/82/94/568958294.db2.gz RPLCSVAMKDCXBS-UHFFFAOYSA-N -1 1 402.424 2.822 50 0 HFAAMM CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000008129431 568975060 /nfs/dbraw/zinc/97/50/60/568975060.db2.gz FYKJQCILLCJLBZ-BBRMVZONSA-N -1 1 402.520 2.637 50 0 HFAAMM CC(C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000008315530 568990018 /nfs/dbraw/zinc/99/00/18/568990018.db2.gz WGYYHOJOHFORPC-MRXNPFEDSA-N -1 1 402.520 2.637 50 0 HFAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC(C)C)[n-]c2=O)cc1 ZINC000064591989 569069341 /nfs/dbraw/zinc/06/93/41/569069341.db2.gz GHWDAZXQNQQUDZ-UHFFFAOYSA-N -1 1 423.560 2.974 50 0 HFAAMM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4C)cc3oc2=O)no1 ZINC000064946864 569128515 /nfs/dbraw/zinc/12/85/15/569128515.db2.gz QXZANZHCLRVPBY-UHFFFAOYSA-N -1 1 418.406 2.583 50 0 HFAAMM CC(C)CNC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000036314080 569133943 /nfs/dbraw/zinc/13/39/43/569133943.db2.gz WNJFCCIKSJJJOC-UHFFFAOYSA-N -1 1 423.439 2.501 50 0 HFAAMM COc1ccc(C(c2c([O-])cc(C)oc2=O)c2c(O)cc(C)oc2=O)cc1OC ZINC000006825390 569141094 /nfs/dbraw/zinc/14/10/94/569141094.db2.gz CFWQEZWFWDZRAF-UHFFFAOYSA-N -1 1 400.383 2.818 50 0 HFAAMM COC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[n-]3)c2C)cc1 ZINC000016980821 569270288 /nfs/dbraw/zinc/27/02/88/569270288.db2.gz NTEOIWKRAOLMRF-UHFFFAOYSA-N -1 1 423.473 2.547 50 0 HFAAMM COc1ccc2[nH]c(=O)c([C@@H](CC(N)=O)c3c(Cc4ccccc4)[n-][nH]c3=O)cc2c1 ZINC000252499660 569387825 /nfs/dbraw/zinc/38/78/25/569387825.db2.gz SDRVAFBEDPZQDV-MRXNPFEDSA-N -1 1 418.453 2.976 50 0 HFAAMM CC[C@H](C)NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291503 571067258 /nfs/dbraw/zinc/06/72/58/571067258.db2.gz IAQZQVNHBFKLOK-ZDUSSCGKSA-N -1 1 404.511 2.886 50 0 HFAAMM COc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)c(OC)c1OC ZINC000008770505 571116941 /nfs/dbraw/zinc/11/69/41/571116941.db2.gz ILFBFGVSPOXMQD-CQSZACIVSA-N -1 1 407.426 2.937 50 0 HFAAMM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000040106684 571167310 /nfs/dbraw/zinc/16/73/10/571167310.db2.gz MQJDBQPDVITPLS-UHFFFAOYSA-N -1 1 406.357 2.808 50 0 HFAAMM CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000008966347 571192785 /nfs/dbraw/zinc/19/27/85/571192785.db2.gz LVHUUDCOYLHJLB-CYBMUJFWSA-N -1 1 423.922 2.704 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC(=O)OC)cc2)cc1 ZINC000009338430 571249512 /nfs/dbraw/zinc/24/95/12/571249512.db2.gz GBXFJQIJTGKZCA-AWEZNQCLSA-N -1 1 420.487 2.568 50 0 HFAAMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1nc(-c2ccncc2)no1 ZINC000070005757 571253718 /nfs/dbraw/zinc/25/37/18/571253718.db2.gz POOKQEBPGIRZDR-AWEZNQCLSA-N -1 1 416.488 2.812 50 0 HFAAMM CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2ccco2)s1 ZINC000009405036 571255428 /nfs/dbraw/zinc/25/54/28/571255428.db2.gz RRUQUIDUBNIDPU-UHFFFAOYSA-N -1 1 408.461 2.607 50 0 HFAAMM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc21 ZINC000011906554 132351892 /nfs/dbraw/zinc/35/18/92/132351892.db2.gz PNXURHFSZXUCLH-UHFFFAOYSA-N -1 1 400.456 2.905 50 0 HFAAMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2n(CC)c(=O)c1=O ZINC000032958440 523268255 /nfs/dbraw/zinc/26/82/55/523268255.db2.gz UHXGNOLPPOGBOL-UHFFFAOYSA-N -1 1 407.879 2.657 50 0 HFAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCC(O)CC2)cc1 ZINC000040160952 525003218 /nfs/dbraw/zinc/00/32/18/525003218.db2.gz XWROVOGLOPCMEI-UHFFFAOYSA-N -1 1 406.479 2.968 50 0 HFAAMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 ZINC000040286488 526305991 /nfs/dbraw/zinc/30/59/91/526305991.db2.gz KECAHVRBIXWSRZ-ICSRJNTNSA-N -1 1 408.433 2.902 50 0 HFAAMM COc1ccccc1N1CCN(C(=O)Cc2c(C)c3ccc([O-])cc3oc2=O)CC1 ZINC000009303110 537065500 /nfs/dbraw/zinc/06/55/00/537065500.db2.gz FHAVFIFIELXYEZ-UHFFFAOYSA-N -1 1 408.454 2.707 50 0 HFAAMM O=C1C[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(Cl)cc1 ZINC000009036739 557016369 /nfs/dbraw/zinc/01/63/69/557016369.db2.gz CJHSOUWJIBISJU-LLVKDONJSA-N -1 1 400.834 2.950 50 0 HFAAMM COc1ccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000001032840 557148056 /nfs/dbraw/zinc/14/80/56/557148056.db2.gz LHIYSFBTZFZVAN-VIFPVBQESA-N -1 1 412.316 2.782 50 0 HFAAMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1)N1CCOCC1 ZINC000004727594 557587720 /nfs/dbraw/zinc/58/77/20/557587720.db2.gz IKXHLZUJFPBPBC-UHFFFAOYSA-N -1 1 414.405 2.979 50 0 HFAAMM O=C(c1cccnc1)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc21 ZINC000019819334 558289696 /nfs/dbraw/zinc/28/96/96/558289696.db2.gz OJBYJDPHISESGX-UHFFFAOYSA-N -1 1 423.450 2.814 50 0 HFAAMM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/NC(=O)NC2=O)cc1 ZINC000022275907 558475647 /nfs/dbraw/zinc/47/56/47/558475647.db2.gz QHVWNLRXGXIUNV-RIYZIHGNSA-N -1 1 417.215 2.907 50 0 HFAAMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2COc2ccccc2)o1 ZINC000030644274 558734950 /nfs/dbraw/zinc/73/49/50/558734950.db2.gz OPCRLBSDDFGAED-UHFFFAOYSA-N -1 1 400.456 2.697 50 0 HFAAMM O=C(NC[C@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033115274 558761272 /nfs/dbraw/zinc/76/12/72/558761272.db2.gz QUGNYRBHAZIGQV-GOSISDBHSA-N -1 1 418.490 2.953 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C(=O)N1CCOCC1 ZINC000016576530 558796207 /nfs/dbraw/zinc/79/62/07/558796207.db2.gz ANIROGLYASALHJ-UHFFFAOYSA-N -1 1 422.528 2.690 50 0 HFAAMM O=C(c1[nH]nc2ccccc21)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097112205 558995497 /nfs/dbraw/zinc/99/54/97/558995497.db2.gz DSJQIWDOOBSBPR-UHFFFAOYSA-N -1 1 410.437 2.764 50 0 HFAAMM COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000023157356 559022268 /nfs/dbraw/zinc/02/22/68/559022268.db2.gz MTZGRRHKPRPMNO-OAHLLOKOSA-N -1 1 404.467 2.918 50 0 HFAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1 ZINC000011443313 559076336 /nfs/dbraw/zinc/07/63/36/559076336.db2.gz HONJAYKXGBIZEI-UHFFFAOYSA-N -1 1 404.883 2.687 50 0 HFAAMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000062580381 560631430 /nfs/dbraw/zinc/63/14/30/560631430.db2.gz IMHDUWYTEKPQTL-UHFFFAOYSA-N -1 1 407.474 2.859 50 0 HFAAMM Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(=O)[n-]3)[C@H](c3ccco3)C2)cc1 ZINC000018086038 560775009 /nfs/dbraw/zinc/77/50/09/560775009.db2.gz QXZIBMBBXKOLTD-HNNXBMFYSA-N -1 1 409.471 2.724 50 0 HFAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000101506321 560796671 /nfs/dbraw/zinc/79/66/71/560796671.db2.gz CQKUCWBEMDFISQ-UHFFFAOYSA-N -1 1 403.442 2.876 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000046073916 568426637 /nfs/dbraw/zinc/42/66/37/568426637.db2.gz XPYWJOZJAGSOAU-SNVBAGLBSA-N -1 1 412.393 2.965 50 0 HFAAMM CCCOC(=O)c1ccc([N-]S(=O)(=O)CCNC(=O)OCc2ccccc2)cc1 ZINC000095452402 568615199 /nfs/dbraw/zinc/61/51/99/568615199.db2.gz QBMMOJIQDXKONK-UHFFFAOYSA-N -1 1 420.487 2.922 50 0 HFAAMM CCc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 ZINC000020611871 568637563 /nfs/dbraw/zinc/63/75/63/568637563.db2.gz NCTBNFAOHGPUNA-NRFANRHFSA-N -1 1 416.481 2.852 50 0 biogenic HFAAMM CCc1ccc(-n2c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000020611871 568637565 /nfs/dbraw/zinc/63/75/65/568637565.db2.gz NCTBNFAOHGPUNA-NRFANRHFSA-N -1 1 416.481 2.852 50 0 biogenic HFAAMM CC1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)nc3cc(=O)[n-]n32)CC1 ZINC000021537261 568712522 /nfs/dbraw/zinc/71/25/22/568712522.db2.gz AHMKSHBVSUXDMP-UHFFFAOYSA-N -1 1 401.467 2.574 50 0 HFAAMM CC(C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021712546 568748516 /nfs/dbraw/zinc/74/85/16/568748516.db2.gz LCOSLWPXYMXIMZ-IBGZPJMESA-N -1 1 415.515 2.617 50 0 HFAAMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCC3)c1)c1ccc2c(c1)OCCCO2 ZINC000012544846 568850069 /nfs/dbraw/zinc/85/00/69/568850069.db2.gz DISXKNOXWZTWPW-UHFFFAOYSA-N -1 1 412.471 2.853 50 0 HFAAMM CCCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000008395414 568999345 /nfs/dbraw/zinc/99/93/45/568999345.db2.gz KVATVXKDMMBETJ-INIZCTEOSA-N -1 1 402.520 2.639 50 0 HFAAMM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1C ZINC000064580556 569068546 /nfs/dbraw/zinc/06/85/46/569068546.db2.gz MBUINYNDMQITQT-UHFFFAOYSA-N -1 1 417.531 2.863 50 0 HFAAMM COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)ccc21 ZINC000064818666 569101413 /nfs/dbraw/zinc/10/14/13/569101413.db2.gz YSFSEHASKLUBOT-UHFFFAOYSA-N -1 1 410.835 2.530 50 0 HFAAMM O=C(NCc1ccccc1)c1cnc(N2CCN(c3ccccc3Cl)CC2)[n-]c1=O ZINC000036314102 569133977 /nfs/dbraw/zinc/13/39/77/569133977.db2.gz UNGAUAOEMUKYAS-UHFFFAOYSA-N -1 1 423.904 2.680 50 0 HFAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1 ZINC000065115403 569179368 /nfs/dbraw/zinc/17/93/68/569179368.db2.gz XSQIXPLAUUEYKT-UHFFFAOYSA-N -1 1 415.471 2.718 50 0 HFAAMM CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1=O ZINC000006920270 569181761 /nfs/dbraw/zinc/18/17/61/569181761.db2.gz OJDSOASLISCJAK-GASCZTMLSA-N -1 1 419.547 2.725 50 0 HFAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)c2c(C)[nH]c3ccccc32)[n-]c1=O ZINC000007422220 569237716 /nfs/dbraw/zinc/23/77/16/569237716.db2.gz INULEBBHFCFWIN-UHFFFAOYSA-N -1 1 418.457 2.746 50 0 HFAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 ZINC000007428128 569238468 /nfs/dbraw/zinc/23/84/68/569238468.db2.gz LRAWLVKPYOTFJC-UHFFFAOYSA-N -1 1 417.512 2.965 50 0 HFAAMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1SC(C)=Nc2c1c(=O)[n-]n2C(C)C ZINC000071288758 569252497 /nfs/dbraw/zinc/25/24/97/569252497.db2.gz GXTGGXSAKABBKO-CJNGLKHVSA-N -1 1 423.564 2.816 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1 ZINC000013696703 569257120 /nfs/dbraw/zinc/25/71/20/569257120.db2.gz OMHDDYWJGNEIEY-IBGZPJMESA-N -1 1 402.472 2.564 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1OC ZINC000008977352 571198298 /nfs/dbraw/zinc/19/82/98/571198298.db2.gz GCNMCXQMKUXNIB-UHFFFAOYSA-N -1 1 416.499 2.799 50 0 HFAAMM O=S(=O)(Cc1noc2ccccc21)[N-]C[C@](O)(c1ccoc1)c1cccs1 ZINC000245039177 571212361 /nfs/dbraw/zinc/21/23/61/571212361.db2.gz OJAQGPNFTRJXEU-SFHVURJKSA-N -1 1 404.469 2.838 50 0 HFAAMM CCOc1ccc(N2C[C@@H](C[N-]S(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 ZINC000009036097 571213386 /nfs/dbraw/zinc/21/33/86/571213386.db2.gz XVXXPZCIQZYETR-CYBMUJFWSA-N -1 1 410.442 2.695 50 0 HFAAMM COc1ccc(-c2noc(CNC(=O)Cc3c(C)c4ccc([O-])cc4oc3=O)n2)cc1 ZINC000009134636 571229527 /nfs/dbraw/zinc/22/95/27/571229527.db2.gz ZPVUEYVWYGQNQX-UHFFFAOYSA-N -1 1 421.409 2.725 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1OC ZINC000009168636 571233168 /nfs/dbraw/zinc/23/31/68/571233168.db2.gz MLWLYCMVDCHZSJ-UHFFFAOYSA-N -1 1 406.460 2.862 50 0 HFAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 ZINC000009168597 571233192 /nfs/dbraw/zinc/23/31/92/571233192.db2.gz HXBJZHSWMJWDDI-UHFFFAOYSA-N -1 1 403.460 2.803 50 0 HFAAMM COc1ccc(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)c(OC)c1 ZINC000009530202 571266710 /nfs/dbraw/zinc/26/67/10/571266710.db2.gz QLIRRYVYYOQDPE-UHFFFAOYSA-N -1 1 421.500 2.854 50 0 HFAAMM COc1ccc(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)cc1OC ZINC000009530174 571266819 /nfs/dbraw/zinc/26/68/19/571266819.db2.gz OJQRVROOGDHLSB-UHFFFAOYSA-N -1 1 421.500 2.854 50 0 HFAAMM Cc1nnc2ccc(-c3cccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)c3)nn12 ZINC000009829210 571287264 /nfs/dbraw/zinc/28/72/64/571287264.db2.gz CMMBSCPCMFBKJT-UHFFFAOYSA-N -1 1 423.454 2.672 50 0 HFAAMM Cc1c(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)oc2cc(O)cc([O-])c12 ZINC000009302804 132338163 /nfs/dbraw/zinc/33/81/63/132338163.db2.gz JYXBWIOGKLFNAC-UHFFFAOYSA-N -1 1 412.417 2.543 50 0 HFAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(CC(=O)NC(C)(C)CO)cc1 ZINC000044037724 525785851 /nfs/dbraw/zinc/78/58/51/525785851.db2.gz PRZVUUZLGSTHBT-UHFFFAOYSA-N -1 1 410.923 2.879 50 0 HFAAMM O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[n-]n21)Nc1ccccc1 ZINC000021911168 527050959 /nfs/dbraw/zinc/05/09/59/527050959.db2.gz ZRSVNJYBJWEREA-UHFFFAOYSA-N -1 1 421.438 2.544 50 0 HFAAMM COC(=O)[C@]([N-]c1nc(C)cs1)(NC(=O)c1ccccc1OC)C(F)(F)F ZINC000002050498 557300904 /nfs/dbraw/zinc/30/09/04/557300904.db2.gz UKUZTEUJWUMKOE-OAHLLOKOSA-N -1 1 403.382 2.734 50 0 HFAAMM COc1cc([C@@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)ccc1OCc1ccccc1F ZINC000004944812 557615727 /nfs/dbraw/zinc/61/57/27/557615727.db2.gz ZSBWPTDCKKQIKN-ZDUSSCGKSA-N -1 1 410.405 2.553 50 0 HFAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000010562936 557677714 /nfs/dbraw/zinc/67/77/14/557677714.db2.gz KOWASWHFALOGQD-UHFFFAOYSA-N -1 1 409.394 2.981 50 0 HFAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O ZINC000097514684 557817798 /nfs/dbraw/zinc/81/77/98/557817798.db2.gz XTNKPXKLLCKKQG-OAQYLSRUSA-N -1 1 416.481 2.989 50 0 biogenic HFAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-] ZINC000097514684 557817803 /nfs/dbraw/zinc/81/78/03/557817803.db2.gz XTNKPXKLLCKKQG-OAQYLSRUSA-N -1 1 416.481 2.989 50 0 biogenic HFAAMM O=c1c([C@H]2NCCc3ccccc32)c([O-])n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000020192029 558344535 /nfs/dbraw/zinc/34/45/35/558344535.db2.gz PFMLNINVFVGEML-QFIPXVFZSA-N -1 1 411.461 2.929 50 0 HFAAMM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000020738216 558408277 /nfs/dbraw/zinc/40/82/77/558408277.db2.gz LBGOTZDEJGFRCK-OAQYLSRUSA-N -1 1 410.449 2.689 50 0 HFAAMM CN1N=C(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CCC1=O ZINC000030121345 558727250 /nfs/dbraw/zinc/72/72/50/558727250.db2.gz VZRIOLOUFWFHPT-UHFFFAOYSA-N -1 1 420.878 2.688 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000016552289 558795771 /nfs/dbraw/zinc/79/57/71/558795771.db2.gz WLJORIPEGUTHJU-UHFFFAOYSA-N -1 1 410.879 2.622 50 0 HFAAMM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000097940965 558946054 /nfs/dbraw/zinc/94/60/54/558946054.db2.gz BGAXDAZYVSVHEF-UHFFFAOYSA-N -1 1 406.439 2.928 50 0 HFAAMM CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2oc1=O ZINC000004884239 559197583 /nfs/dbraw/zinc/19/75/83/559197583.db2.gz GNRFGPQNWOGXBA-UHFFFAOYSA-N -1 1 404.444 2.575 50 0 HFAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000005017561 559228718 /nfs/dbraw/zinc/22/87/18/559228718.db2.gz MHOZOFCBCOFIIF-UHFFFAOYSA-N -1 1 411.454 2.798 50 0 HFAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc3c(c2)OCO3)[n-]c(=O)c1C ZINC000012008157 559271127 /nfs/dbraw/zinc/27/11/27/559271127.db2.gz ITRFVQWDSWZLTN-UHFFFAOYSA-N -1 1 419.397 2.813 50 0 HFAAMM CC(C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000017300684 560707445 /nfs/dbraw/zinc/70/74/45/560707445.db2.gz PGLTUNILMGXJHN-UHFFFAOYSA-N -1 1 403.435 2.606 50 0 HFAAMM COc1ccccc1-n1c(O)c2n(-c3cccc(Cl)c3C)[n-]c(C(C)=O)c-2c1=O ZINC000100942570 560763523 /nfs/dbraw/zinc/76/35/23/560763523.db2.gz CQGUKWUAXGSPKF-PKOBYXMFSA-N -1 1 411.845 2.980 50 0 HFAAMM Cc1ccc([C@@H]2CC(c3c([O-])n(-c4ccc(Cl)cc4)c(=O)[nH]c3=O)=NN2)s1 ZINC000101762738 560800681 /nfs/dbraw/zinc/80/06/81/560800681.db2.gz JFPRCLNLIRTPNG-LBPRGKRZSA-N -1 1 402.863 2.693 50 0 HFAAMM O=C(C1CC1)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 ZINC000012068214 560888241 /nfs/dbraw/zinc/88/82/41/560888241.db2.gz XELDEAJWPLSNKG-UHFFFAOYSA-N -1 1 400.456 2.558 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1Br)CC(=O)N2 ZINC000046073879 568426660 /nfs/dbraw/zinc/42/66/60/568426660.db2.gz XCNBZJACCOCSRO-QMMMGPOBSA-N -1 1 423.292 2.709 50 0 HFAAMM COCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421217 568450620 /nfs/dbraw/zinc/45/06/20/568450620.db2.gz JRTTXIWKJVCBDB-HNNXBMFYSA-N -1 1 412.515 2.631 50 0 HFAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000000810798 568491540 /nfs/dbraw/zinc/49/15/40/568491540.db2.gz RQFRHYMZSNLDSF-UHFFFAOYSA-N -1 1 400.909 2.925 50 0 HFAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000021537296 568712454 /nfs/dbraw/zinc/71/24/54/568712454.db2.gz KFDJYMQYOAATAE-UHFFFAOYSA-N -1 1 407.455 2.824 50 0 HFAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)NC1CC1 ZINC000002634624 568791691 /nfs/dbraw/zinc/79/16/91/568791691.db2.gz HMAOWGUMJGALDI-NSHDSACASA-N -1 1 424.425 2.590 50 0 HFAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC1CCCC1 ZINC000002637516 568792621 /nfs/dbraw/zinc/79/26/21/568792621.db2.gz JOSYSSUZSWXYMO-UHFFFAOYSA-N -1 1 402.472 2.703 50 0 HFAAMM Cc1cc2c(nc(C)n([N-]C(=O)c3c(Cl)c(C(F)(F)F)nn3C)c2=O)s1 ZINC000002779049 568808150 /nfs/dbraw/zinc/80/81/50/568808150.db2.gz FOUCMEHIPIGJFH-UHFFFAOYSA-N -1 1 405.789 2.864 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2)cc1 ZINC000012521236 568841532 /nfs/dbraw/zinc/84/15/32/568841532.db2.gz LGQILVMIHHFMBZ-UHFFFAOYSA-N -1 1 418.515 2.919 50 0 HFAAMM COc1ccc(C)cc1-n1nnnc1SCC(=O)[N-]C(=O)c1ccccc1Cl ZINC000003429135 568901192 /nfs/dbraw/zinc/90/11/92/568901192.db2.gz MQDVIOPCPDXLMJ-UHFFFAOYSA-N -1 1 417.878 2.681 50 0 HFAAMM CCN(CC)S(=O)(=O)c1ccc2[n-]cc(C(=O)NC3CCCCC3)c(=O)c2c1 ZINC000004654444 568924872 /nfs/dbraw/zinc/92/48/72/568924872.db2.gz RIZAJHHYYGSGIW-UHFFFAOYSA-N -1 1 405.520 2.621 50 0 HFAAMM O=C(COc1ccc2c(c1)CCC2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000006084750 568997146 /nfs/dbraw/zinc/99/71/46/568997146.db2.gz SZKOHQXRFLTCFN-UHFFFAOYSA-N -1 1 416.499 2.683 50 0 HFAAMM CC(=O)Oc1ccc2c(c1)occ([C@@H]1N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O ZINC000001830145 569056316 /nfs/dbraw/zinc/05/63/16/569056316.db2.gz QLPUCPGOPUIEDP-NQIIRXRSSA-N -1 1 418.405 2.888 50 0 biogenic HFAAMM COC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2oc1=O ZINC000064818744 569101513 /nfs/dbraw/zinc/10/15/13/569101513.db2.gz YSLSIIANNKYXKE-UHFFFAOYSA-N -1 1 404.444 2.692 50 0 HFAAMM CC[C@H](C)NC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000036314082 569133993 /nfs/dbraw/zinc/13/39/93/569133993.db2.gz QBJLVSHUMFDMHW-ZDUSSCGKSA-N -1 1 423.439 2.644 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc(OC)c1OC ZINC000006878204 569164932 /nfs/dbraw/zinc/16/49/32/569164932.db2.gz ZZBRKULKWVLEPD-LBPRGKRZSA-N -1 1 420.487 2.811 50 0 HFAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OC[C@H](C(=O)N1CCCC1)O2 ZINC000006913995 569179794 /nfs/dbraw/zinc/17/97/94/569179794.db2.gz JSERVBPYPUBIBC-HXUWFJFHSA-N -1 1 416.499 2.812 50 0 HFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C=Cc2ccc(OC)c(OC)c2)n1 ZINC000007420335 569237543 /nfs/dbraw/zinc/23/75/43/569237543.db2.gz XXILSCDRLYNIEK-CSKARUKUSA-N -1 1 423.473 2.886 50 0 HFAAMM COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000013850708 569258206 /nfs/dbraw/zinc/25/82/06/569258206.db2.gz RVUQURVIFGIWEG-UHFFFAOYSA-N -1 1 400.859 2.585 50 0 HFAAMM COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4c([O-])cc(O)cc4oc3=O)c2c1 ZINC000008877807 571130814 /nfs/dbraw/zinc/13/08/14/571130814.db2.gz GCLXFCMBADQANU-UHFFFAOYSA-N -1 1 422.437 2.904 50 0 biogenic HFAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009714872 571281545 /nfs/dbraw/zinc/28/15/45/571281545.db2.gz FSNWELGSTOUUEU-UHFFFAOYSA-N -1 1 424.544 2.632 50 0 HFAAMM CCCOc1ccc(Cl)cc1NC(=O)NCCS(=O)(=O)[N-]c1ccccn1 ZINC000072314312 571307294 /nfs/dbraw/zinc/30/72/94/571307294.db2.gz KPEGKNALFMVNOQ-UHFFFAOYSA-N -1 1 412.899 3.087 50 0 HFAAMM CCOC(=O)N1CCN(C(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000032843908 520943550 /nfs/dbraw/zinc/94/35/50/520943550.db2.gz QDZQHYUXDVWQPB-UHFFFAOYSA-N -1 1 403.508 2.607 50 0 HFAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cc(C(=O)OC)nn2)cc1 ZINC000032814716 521413033 /nfs/dbraw/zinc/41/30/33/521413033.db2.gz ISAKLFVHXYWTNA-UHFFFAOYSA-N -1 1 400.460 2.807 50 0 HFAAMM CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000020567749 521700672 /nfs/dbraw/zinc/70/06/72/521700672.db2.gz SHPNPVQDSBIOQA-WZONZLPQSA-N -1 1 406.486 2.933 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc(OC)c1OC ZINC000020578743 522757048 /nfs/dbraw/zinc/75/70/48/522757048.db2.gz VIOQSUQDHHAPDL-UHFFFAOYSA-N -1 1 406.460 2.788 50 0 HFAAMM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000032915891 526887453 /nfs/dbraw/zinc/88/74/53/526887453.db2.gz PBBVENCHTNYPPC-UHFFFAOYSA-N -1 1 415.515 2.750 50 0 HFAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000007069312 536502329 /nfs/dbraw/zinc/50/23/29/536502329.db2.gz HGAHDWKTIIFUBD-UHFFFAOYSA-N -1 1 409.515 2.965 50 0 HFAAMM Cc1sc2ncnc(SCC(=O)OCC(=O)[N-]C(=O)c3ccccc3)c2c1C ZINC000004366743 558462079 /nfs/dbraw/zinc/46/20/79/558462079.db2.gz PIWAHFUTBJCQQW-UHFFFAOYSA-N -1 1 415.496 2.900 50 0 HFAAMM CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)c1ccc2ccccc2c1 ZINC000022471585 558491528 /nfs/dbraw/zinc/49/15/28/558491528.db2.gz RZSPDGOQUGPOFA-UHFFFAOYSA-N -1 1 414.465 2.968 50 0 HFAAMM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2cccc(Cl)c2)c(OC)c1OC ZINC000013032671 558505532 /nfs/dbraw/zinc/50/55/32/558505532.db2.gz UNTXKQMVYNRDKW-UHFFFAOYSA-N -1 1 401.824 2.865 50 0 HFAAMM CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000013096642 558513118 /nfs/dbraw/zinc/51/31/18/558513118.db2.gz CJDVVSPVLWQFME-OAHLLOKOSA-N -1 1 417.439 2.687 50 0 HFAAMM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000023144582 558538134 /nfs/dbraw/zinc/53/81/34/558538134.db2.gz FAWJFUPHWHKTMB-UHFFFAOYSA-N -1 1 419.459 2.541 50 0 HFAAMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1)n(C)c(=O)n2C ZINC000046009339 558838902 /nfs/dbraw/zinc/83/89/02/558838902.db2.gz JNOWKANRPUBEMU-UHFFFAOYSA-N -1 1 410.293 2.749 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1OC ZINC000005153763 559254306 /nfs/dbraw/zinc/25/43/06/559254306.db2.gz NIVCEOCNQGEBEV-GFCCVEGCSA-N -1 1 402.472 2.901 50 0 HFAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011906020 559266543 /nfs/dbraw/zinc/26/65/43/559266543.db2.gz ILGOVINNSMVCFV-UHFFFAOYSA-N -1 1 422.528 2.733 50 0 HFAAMM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000011906541 559266718 /nfs/dbraw/zinc/26/67/18/559266718.db2.gz HYVROYXIEMYCDK-UHFFFAOYSA-N -1 1 400.456 2.558 50 0 HFAAMM CCCc1cc(=O)[n-]c(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1 ZINC000008719094 560637822 /nfs/dbraw/zinc/63/78/22/560637822.db2.gz KVBZMCCDHVHAED-UHFFFAOYSA-N -1 1 408.911 2.565 50 0 HFAAMM CCCCn1c([O-])c(C2=NN[C@H](c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=S ZINC000101495263 560796376 /nfs/dbraw/zinc/79/63/76/560796376.db2.gz WLUXSZQZWMPQRJ-ZDUSSCGKSA-N -1 1 404.492 2.867 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000046073913 568426643 /nfs/dbraw/zinc/42/66/43/568426643.db2.gz XPYWJOZJAGSOAU-JTQLQIEISA-N -1 1 412.393 2.965 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H]3OC)c2)cc1 ZINC000225469078 568640692 /nfs/dbraw/zinc/64/06/92/568640692.db2.gz YGKRECFUOHGAOJ-OALUTQOASA-N -1 1 404.488 2.793 50 0 HFAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3=O)c2)c1 ZINC000012520922 568841418 /nfs/dbraw/zinc/84/14/18/568841418.db2.gz FLMAVPWFWBZPAQ-UHFFFAOYSA-N -1 1 415.515 2.538 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N3CCCC3)c2)cc1 ZINC000003246188 568848556 /nfs/dbraw/zinc/84/85/56/568848556.db2.gz YKVJROZEUWKOJP-UHFFFAOYSA-N -1 1 416.499 2.883 50 0 HFAAMM CC(C)(C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000057681432 568858219 /nfs/dbraw/zinc/85/82/19/568858219.db2.gz XGTZLTQHOPYNSH-OAHLLOKOSA-N -1 1 402.520 2.637 50 0 HFAAMM CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1[O-] ZINC000003984825 568931127 /nfs/dbraw/zinc/93/11/27/568931127.db2.gz XVXHKSUNKDKOLL-NRFANRHFSA-N -1 1 419.481 2.651 50 0 biogenic HFAAMM O=S(=O)([N-]Cc1[nH]nc2c1CCCCC2)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000670459163 568947126 /nfs/dbraw/zinc/94/71/26/568947126.db2.gz XYAOEPCRCSFDNK-UHFFFAOYSA-N -1 1 403.464 2.678 50 0 HFAAMM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064580544 569068605 /nfs/dbraw/zinc/06/86/05/569068605.db2.gz GFXFAXSEFZGKRT-UHFFFAOYSA-N -1 1 403.504 2.554 50 0 HFAAMM COc1ccccc1C(=O)N(Cc1cccs1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000064791956 569095862 /nfs/dbraw/zinc/09/58/62/569095862.db2.gz JKJGOOGILPDJKY-UHFFFAOYSA-N -1 1 409.471 2.952 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)cc1F ZINC000065115466 569179366 /nfs/dbraw/zinc/17/93/66/569179366.db2.gz CKPNFGANBCHJRD-UHFFFAOYSA-N -1 1 419.434 2.549 50 0 HFAAMM Cc1nc(SCc2nc(-c3cccc(Br)c3)no2)[n-]c(=O)c1CCO ZINC000065321339 569224183 /nfs/dbraw/zinc/22/41/83/569224183.db2.gz SEWFVFKMWJODPA-UHFFFAOYSA-N -1 1 423.292 2.718 50 0 HFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)COc2ccc(OCC)cc2)n1 ZINC000007420397 569237454 /nfs/dbraw/zinc/23/74/54/569237454.db2.gz OSYNAGWNYFSTFZ-UHFFFAOYSA-N -1 1 411.462 2.633 50 0 HFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)COc2ccc(Cl)cc2)n1 ZINC000007420352 569237467 /nfs/dbraw/zinc/23/74/67/569237467.db2.gz UDDUZIRAMJPGLS-UHFFFAOYSA-N -1 1 401.854 2.887 50 0 HFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000007420340 569237490 /nfs/dbraw/zinc/23/74/90/569237490.db2.gz DTVMJLTTYYFCMK-SOFGYWHQSA-N -1 1 407.430 2.597 50 0 HFAAMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCC(C(N)=O)CC3)c2)sc1C ZINC000170609133 569244886 /nfs/dbraw/zinc/24/48/86/569244886.db2.gz GBYANDXHICFMAR-UHFFFAOYSA-N -1 1 407.561 2.863 50 0 HFAAMM COc1cc(C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1 ZINC000263625807 569317249 /nfs/dbraw/zinc/31/72/49/569317249.db2.gz PEJGFCSFZWSINY-KRWDZBQOSA-N -1 1 413.455 2.670 50 0 HFAAMM COc1cc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc(OC)c1OC ZINC000008767200 571115736 /nfs/dbraw/zinc/11/57/36/571115736.db2.gz JIKSRDUERLKWAR-AWEZNQCLSA-N -1 1 407.426 2.937 50 0 HFAAMM COc1cc(NC(=O)c2cc(Br)ccc2[O-])ccc1NS(C)(=O)=O ZINC000040087335 571157863 /nfs/dbraw/zinc/15/78/63/571157863.db2.gz ZYODDZAJVAKIJD-UHFFFAOYSA-N -1 1 415.265 2.787 50 0 HFAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165414 571232559 /nfs/dbraw/zinc/23/25/59/571232559.db2.gz HZUQGDJOOQPFPD-UHFFFAOYSA-N -1 1 417.487 2.827 50 0 HFAAMM COc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3cc(F)ccc3F)nn2)cc1 ZINC000010324463 571300358 /nfs/dbraw/zinc/30/03/58/571300358.db2.gz TYLDFPCBFQKPGP-UHFFFAOYSA-N -1 1 421.425 2.788 50 0 HFAAMM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000010342374 571301177 /nfs/dbraw/zinc/30/11/77/571301177.db2.gz OOIUJQFYBRPHMV-UHFFFAOYSA-N -1 1 424.422 2.684 50 0 HFAAMM COc1cc(CCNC(C)=O)c(S(=O)(=O)[N-]c2cccc(F)c2C)cc1OC ZINC000041107698 522335802 /nfs/dbraw/zinc/33/58/02/522335802.db2.gz LQGGXZIVNGHBIM-UHFFFAOYSA-N -1 1 410.467 2.631 50 0 HFAAMM CCOC(=O)CC(=O)CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000002157760 557320522 /nfs/dbraw/zinc/32/05/22/557320522.db2.gz JFHKHITVEOQMAQ-UHFFFAOYSA-N -1 1 401.416 2.683 50 0 HFAAMM Cn1c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCC3)O4)ccc2oc1=O ZINC000006661668 557712779 /nfs/dbraw/zinc/71/27/79/557712779.db2.gz BEISIAMVHAULGX-UHFFFAOYSA-N -1 1 402.428 2.974 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000010059739 557854821 /nfs/dbraw/zinc/85/48/21/557854821.db2.gz STCOGPXMOHYVEE-OAHLLOKOSA-N -1 1 424.544 2.917 50 0 HFAAMM CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)CC1 ZINC000010736261 558433315 /nfs/dbraw/zinc/43/33/15/558433315.db2.gz ZUKYSUGUHUCUEH-UHFFFAOYSA-N -1 1 415.515 2.537 50 0 HFAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)[C@H](C)O4)cc2C[C@H]1C ZINC000028687277 558703652 /nfs/dbraw/zinc/70/36/52/558703652.db2.gz SKRXBXZQQOHMPI-NEPJUHHUSA-N -1 1 415.471 2.504 50 0 HFAAMM CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000032992584 558808640 /nfs/dbraw/zinc/80/86/40/558808640.db2.gz YHDGHJIXXMBDEC-UHFFFAOYSA-N -1 1 424.906 2.591 50 0 HFAAMM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072145646 558929518 /nfs/dbraw/zinc/92/95/18/558929518.db2.gz XOINFNRUXFMKEM-MRXNPFEDSA-N -1 1 423.439 2.561 50 0 HFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1NC(C)=O ZINC000023055342 558994684 /nfs/dbraw/zinc/99/46/84/558994684.db2.gz LSDOKIIOTDOEER-UHFFFAOYSA-N -1 1 419.503 2.983 50 0 HFAAMM COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c([O-])nc2ccccn2c1=O ZINC000205967708 559190231 /nfs/dbraw/zinc/19/02/31/559190231.db2.gz MPNQCNRVXKJHNF-MRXNPFEDSA-N -1 1 418.409 2.677 50 0 HFAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 ZINC000004884500 559197758 /nfs/dbraw/zinc/19/77/58/559197758.db2.gz QQMJSWFDDCBCCM-UHFFFAOYSA-N -1 1 402.472 2.963 50 0 HFAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(F)cc2)n1 ZINC000012006392 559271046 /nfs/dbraw/zinc/27/10/46/559271046.db2.gz ONEGKKZVVCNULO-UHFFFAOYSA-N -1 1 409.377 2.681 50 0 HFAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@@H](c3cccc4ccccc43)C2)c1=O ZINC000101456621 560795557 /nfs/dbraw/zinc/79/55/57/560795557.db2.gz BQBTVGWKVKMPEC-LJQANCHMSA-N -1 1 420.469 2.893 50 0 HFAAMM CCCCn1c([O-])c(C2=NN[C@@H](c3cc(OC)ccc3OC)C2)c(=O)[nH]c1=S ZINC000101495209 560796405 /nfs/dbraw/zinc/79/64/05/560796405.db2.gz RKZNBZAOEOVIOX-CYBMUJFWSA-N -1 1 404.492 2.867 50 0 HFAAMM COc1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000012126285 560889627 /nfs/dbraw/zinc/88/96/27/560889627.db2.gz LYPFHCKAALDJRZ-UHFFFAOYSA-N -1 1 423.473 2.983 50 0 HFAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(NNc3ccccc3)nc2[O-])cc1 ZINC000008315685 568497539 /nfs/dbraw/zinc/49/75/39/568497539.db2.gz DGLSEQWHOWQAEZ-INIZCTEOSA-N -1 1 412.471 2.807 50 0 HFAAMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)ccc1O ZINC000095464661 568622516 /nfs/dbraw/zinc/62/25/16/568622516.db2.gz BFMRAONVDNTRPT-CQSZACIVSA-N -1 1 405.350 2.575 50 0 HFAAMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000095975466 568672676 /nfs/dbraw/zinc/67/26/76/568672676.db2.gz UJFSBXMOKXVUPU-UHFFFAOYSA-N -1 1 424.327 2.869 50 0 HFAAMM O=C1[C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCN1c1ccc(F)cc1 ZINC000096396283 568744896 /nfs/dbraw/zinc/74/48/96/568744896.db2.gz YTSUBZLZLOTQHR-INIZCTEOSA-N -1 1 400.834 2.843 50 0 HFAAMM O=C(c1c[nH]nc1-c1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)o1)N1CCCC1 ZINC000096400235 568749367 /nfs/dbraw/zinc/74/93/67/568749367.db2.gz PWYAFBWJRODNCO-UHFFFAOYSA-N -1 1 418.450 2.523 50 0 HFAAMM COc1ccc(OC)c(CN2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1 ZINC000082039679 568818627 /nfs/dbraw/zinc/81/86/27/568818627.db2.gz VQGRKCJXWNBRMZ-UHFFFAOYSA-N -1 1 410.470 2.834 50 0 HFAAMM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012521223 568841267 /nfs/dbraw/zinc/84/12/67/568841267.db2.gz GEMQHJQUMFRRER-UHFFFAOYSA-N -1 1 405.295 2.621 50 0 HFAAMM CCCC(=O)[N-]C(=O)c1nnn(-c2cc(Cl)ccc2OC)c1NC(=O)CCC ZINC000057509533 568847573 /nfs/dbraw/zinc/84/75/73/568847573.db2.gz OJTDHHDUKKEFAU-UHFFFAOYSA-N -1 1 407.858 2.724 50 0 HFAAMM CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)CC1 ZINC000012560914 568858324 /nfs/dbraw/zinc/85/83/24/568858324.db2.gz QWBPMLDEIYTCCZ-UHFFFAOYSA-N -1 1 415.515 2.537 50 0 HFAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000012583365 568865452 /nfs/dbraw/zinc/86/54/52/568865452.db2.gz NSDSTHIMIZLPON-UHFFFAOYSA-N -1 1 420.434 2.947 50 0 HFAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(C)C)cc1 ZINC000003421724 568900021 /nfs/dbraw/zinc/90/00/21/568900021.db2.gz KKXJTUVSMYOVCR-UHFFFAOYSA-N -1 1 404.488 2.725 50 0 HFAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)CS2 ZINC000015682433 568968698 /nfs/dbraw/zinc/96/86/98/568968698.db2.gz FNUXRHJJGGRXTL-UHFFFAOYSA-N -1 1 420.512 2.662 50 0 HFAAMM COCCCNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(OC)cc4)nc-3c2c1 ZINC000101828265 569024409 /nfs/dbraw/zinc/02/44/09/569024409.db2.gz RHGDLJHGMYFHAW-UHFFFAOYSA-N -1 1 406.442 2.594 50 0 HFAAMM Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)c1 ZINC000064580559 569068509 /nfs/dbraw/zinc/06/85/09/569068509.db2.gz DGZFHWBTNKIULC-UHFFFAOYSA-N -1 1 403.504 2.554 50 0 HFAAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000426498781 569073137 /nfs/dbraw/zinc/07/31/37/569073137.db2.gz WOYSISAONXWMSD-QFIPXVFZSA-N -1 1 402.539 2.778 50 0 HFAAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccc(SC(F)F)cc1 ZINC000007126117 569223483 /nfs/dbraw/zinc/22/34/83/569223483.db2.gz BLFKQBBAJSJVFN-GFCCVEGCSA-N -1 1 401.460 2.660 50 0 HFAAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccc(SC(F)F)cc1 ZINC000007126127 569223448 /nfs/dbraw/zinc/22/34/48/569223448.db2.gz BLFKQBBAJSJVFN-LBPRGKRZSA-N -1 1 401.460 2.660 50 0 HFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)c2c[nH]c3ccccc23)n1 ZINC000007420552 569237458 /nfs/dbraw/zinc/23/74/58/569237458.db2.gz RATYPBHHUFHWHN-UHFFFAOYSA-N -1 1 404.430 2.519 50 0 HFAAMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2C(C)C ZINC000071288754 569252526 /nfs/dbraw/zinc/25/25/26/569252526.db2.gz GXTGGXSAKABBKO-CZUORRHYSA-N -1 1 423.564 2.816 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccn(C)n3)c2)cc1 ZINC000016975002 569269912 /nfs/dbraw/zinc/26/99/12/569269912.db2.gz JDNLINBBZSOQPK-UHFFFAOYSA-N -1 1 400.460 2.872 50 0 HFAAMM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c(C)c1 ZINC000017015252 569271774 /nfs/dbraw/zinc/27/17/74/569271774.db2.gz AHRLHYIXURXMKX-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM Cc1ccc(-n2c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c(C)c1 ZINC000017015252 569271775 /nfs/dbraw/zinc/27/17/75/569271775.db2.gz AHRLHYIXURXMKX-NRFANRHFSA-N -1 1 416.481 2.907 50 0 biogenic HFAAMM CCCc1cc(=O)[n-]c(SCc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000007654090 569299113 /nfs/dbraw/zinc/29/91/13/569299113.db2.gz QXBFCJBBFBPJCK-UHFFFAOYSA-N -1 1 407.293 2.785 50 0 HFAAMM CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1C ZINC000007736830 569305083 /nfs/dbraw/zinc/30/50/83/569305083.db2.gz GHWCYGDJLDUMFF-UHFFFAOYSA-N -1 1 408.357 2.549 50 0 HFAAMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 ZINC000253429015 569368646 /nfs/dbraw/zinc/36/86/46/569368646.db2.gz MFKJBHDOMSMGDC-CQSZACIVSA-N -1 1 421.924 2.565 50 0 HFAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2CCC1=O ZINC000008840554 571123374 /nfs/dbraw/zinc/12/33/74/571123374.db2.gz UEXAALQASSGNQH-UHFFFAOYSA-N -1 1 402.472 2.948 50 0 HFAAMM Cc1nn2c(-c3ccc(S(=O)(=O)[N-]Cc4cccnc4)o3)nnc2c2ccccc12 ZINC000009187862 571235410 /nfs/dbraw/zinc/23/54/10/571235410.db2.gz QAQRQLZWIXPCDB-UHFFFAOYSA-N -1 1 420.454 2.719 50 0 HFAAMM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 ZINC000005099554 132301127 /nfs/dbraw/zinc/30/11/27/132301127.db2.gz DDMBBIMXNKRQKA-UHFFFAOYSA-N -1 1 414.483 2.948 50 0 HFAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cccc(F)c1 ZINC000005144811 132303183 /nfs/dbraw/zinc/30/31/83/132303183.db2.gz LXTFECQJEGHJPH-UHFFFAOYSA-N -1 1 414.462 2.920 50 0 HFAAMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000007059953 132322397 /nfs/dbraw/zinc/32/23/97/132322397.db2.gz UOIZJMCXZCMNGB-UHFFFAOYSA-N -1 1 410.879 2.749 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N[C@@H](C)C(=O)N3CCOCC3)c2)cc1C ZINC000032738532 525616222 /nfs/dbraw/zinc/61/62/22/525616222.db2.gz NKWQXPZIEXBSTK-KRWDZBQOSA-N -1 1 417.531 2.763 50 0 HFAAMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 ZINC000040286489 526306412 /nfs/dbraw/zinc/30/64/12/526306412.db2.gz KECAHVRBIXWSRZ-AZUAARDMSA-N -1 1 408.433 2.902 50 0 HFAAMM O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000032753585 526729432 /nfs/dbraw/zinc/72/94/32/526729432.db2.gz IVVWMYFVSYLYJM-UHFFFAOYSA-N -1 1 404.422 2.872 50 0 HFAAMM COc1cc(/C=C2/NC(=S)[N-]C2=O)cc(Br)c1OCc1ccccn1 ZINC000000683816 557057735 /nfs/dbraw/zinc/05/77/35/557057735.db2.gz QJATVGIQQCONMF-NTUHNPAUSA-N -1 1 420.288 2.777 50 0 HFAAMM CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCN(C(C)C)CC3)c(=O)[n-]2)c1 ZINC000034764505 557461451 /nfs/dbraw/zinc/46/14/51/557461451.db2.gz LNNXQZBNELELMI-UHFFFAOYSA-N -1 1 413.522 2.517 50 0 HFAAMM O=C1CCCC2=C1[C@H](c1ccc(N3CCOCC3)cc1)c1c(=O)[n-]c(=S)[nH]c1N2 ZINC000001480268 558434392 /nfs/dbraw/zinc/43/43/92/558434392.db2.gz HFILRLAKIIIMFB-INIZCTEOSA-N -1 1 410.499 2.834 50 0 HFAAMM Nc1cc(=O)[n-]c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 ZINC000012984154 558494508 /nfs/dbraw/zinc/49/45/08/558494508.db2.gz UBNWPKOOARAQHH-LLVKDONJSA-N -1 1 417.541 2.945 50 0 HFAAMM COC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013672073 558562830 /nfs/dbraw/zinc/56/28/30/558562830.db2.gz SREKPCDCAMPXIQ-UHFFFAOYSA-N -1 1 402.472 2.513 50 0 HFAAMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1 ZINC000072280286 558705347 /nfs/dbraw/zinc/70/53/47/558705347.db2.gz UWVMATBZKFIHNK-UHFFFAOYSA-N -1 1 414.233 2.735 50 0 HFAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)N1CCCC1 ZINC000016649127 558797758 /nfs/dbraw/zinc/79/77/58/558797758.db2.gz IKZJMOBXWJUSMC-UHFFFAOYSA-N -1 1 419.528 2.544 50 0 HFAAMM C[C@H](Sc1nc2c(c(=O)[n-]1)CCCC2)C(=O)Nc1ccc(Br)cn1 ZINC000018247580 558834556 /nfs/dbraw/zinc/83/45/56/558834556.db2.gz OAEVASJEOZJTPV-VIFPVBQESA-N -1 1 409.309 2.926 50 0 HFAAMM CCC[C@H](NC(N)=O)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058194665 558910742 /nfs/dbraw/zinc/91/07/42/558910742.db2.gz ILWCDJDFSTUMAM-INIZCTEOSA-N -1 1 404.492 2.571 50 0 HFAAMM CC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000020448373 558938285 /nfs/dbraw/zinc/93/82/85/558938285.db2.gz OLUIAMKUOMQKKO-UHFFFAOYSA-N -1 1 401.488 2.684 50 0 HFAAMM COc1cc2c(cc1[N-]S(C)(=O)=O)[C@H](c1cccc3nsnc31)CC(=O)N2 ZINC000065435057 558977749 /nfs/dbraw/zinc/97/77/49/558977749.db2.gz QOZIVSFQBPNVLI-JTQLQIEISA-N -1 1 404.473 2.546 50 0 HFAAMM COC(=O)C[C@H](c1ccc(O)cc1)c1c([O-])nc2ccc(Br)cn2c1=O ZINC000205960060 559186978 /nfs/dbraw/zinc/18/69/78/559186978.db2.gz VLUXGMQTNPGKRA-CYBMUJFWSA-N -1 1 419.231 2.563 50 0 HFAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2n(C)c1=O ZINC000050530532 559187297 /nfs/dbraw/zinc/18/72/97/559187297.db2.gz YLZPFLYYNZIQRL-UHFFFAOYSA-N -1 1 401.366 2.576 50 0 HFAAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)N(c2ccccc2)C2CCCCC2)n1 ZINC000005118212 559247382 /nfs/dbraw/zinc/24/73/82/559247382.db2.gz NCZYKHXDXAZULQ-UHFFFAOYSA-N -1 1 415.515 2.943 50 0 HFAAMM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000011906031 559266629 /nfs/dbraw/zinc/26/66/29/559266629.db2.gz WHWIWASPDXFTJE-UHFFFAOYSA-N -1 1 414.892 2.516 50 0 HFAAMM COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nccc(=O)[n-]3)cc2)cc1 ZINC000018202522 560783815 /nfs/dbraw/zinc/78/38/15/560783815.db2.gz VBTSRYJDEYMQFV-UHFFFAOYSA-N -1 1 410.455 2.762 50 0 HFAAMM COc1ccccc1CN(C(C)=O)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101416971 560794662 /nfs/dbraw/zinc/79/46/62/560794662.db2.gz NSRKLEGTHDHLJU-UHFFFAOYSA-N -1 1 417.469 2.879 50 0 HFAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(Cl)cc3)C2)c1=O ZINC000101764881 560801237 /nfs/dbraw/zinc/80/12/37/560801237.db2.gz GBWOAAJZYXSUNI-OAHLLOKOSA-N -1 1 418.881 2.783 50 0 HFAAMM COc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1OC ZINC000101809798 560802290 /nfs/dbraw/zinc/80/22/90/560802290.db2.gz JXAKXNAJHYKCIZ-UHFFFAOYSA-N -1 1 419.441 2.586 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1Br)CC(=O)N2 ZINC000046073882 568426599 /nfs/dbraw/zinc/42/65/99/568426599.db2.gz XCNBZJACCOCSRO-MRVPVSSYSA-N -1 1 423.292 2.709 50 0 HFAAMM CC(C)Cn1c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n(CC(C)C)c1=O ZINC000020612378 568637414 /nfs/dbraw/zinc/63/74/14/568637414.db2.gz QTGZPFITSJCCAH-HXUWFJFHSA-N -1 1 410.518 2.744 50 0 biogenic HFAAMM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)ccc21 ZINC000096399796 568749035 /nfs/dbraw/zinc/74/90/35/568749035.db2.gz CTBYVUTWADOWGD-UHFFFAOYSA-N -1 1 402.472 2.616 50 0 HFAAMM O=C(Nc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000005936130 568830487 /nfs/dbraw/zinc/83/04/87/568830487.db2.gz HBQVALHHIIKPSX-UHFFFAOYSA-N -1 1 411.439 2.906 50 0 HFAAMM CCOCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000057476497 568839512 /nfs/dbraw/zinc/83/95/12/568839512.db2.gz PQUCJJLEPDYFNB-UHFFFAOYSA-N -1 1 421.471 2.842 50 0 HFAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)nc1 ZINC000012508328 568840090 /nfs/dbraw/zinc/84/00/90/568840090.db2.gz PXDIAJMBDCLSOD-UHFFFAOYSA-N -1 1 423.454 2.613 50 0 HFAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000012520951 568841563 /nfs/dbraw/zinc/84/15/63/568841563.db2.gz IRQLVUAQNZDIMR-GOSISDBHSA-N -1 1 404.488 2.795 50 0 HFAAMM C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC000012521463 568841768 /nfs/dbraw/zinc/84/17/68/568841768.db2.gz XPJBPMZVLVNGDS-CYBMUJFWSA-N -1 1 414.487 2.529 50 0 HFAAMM CCNC(=O)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000012536208 568845438 /nfs/dbraw/zinc/84/54/38/568845438.db2.gz UOPIOIJRJYOMAW-UHFFFAOYSA-N -1 1 417.531 2.702 50 0 HFAAMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c1 ZINC000012544743 568849540 /nfs/dbraw/zinc/84/95/40/568849540.db2.gz SQWZHYDZNAARGB-UHFFFAOYSA-N -1 1 418.500 2.862 50 0 HFAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012583357 568865517 /nfs/dbraw/zinc/86/55/17/568865517.db2.gz HHSVBQGLDPSAFP-UHFFFAOYSA-N -1 1 420.434 2.947 50 0 HFAAMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1C ZINC000058009240 568875151 /nfs/dbraw/zinc/87/51/51/568875151.db2.gz PMSLJOAJPJMYSO-UHFFFAOYSA-N -1 1 403.504 2.554 50 0 HFAAMM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc3c2N(CCC3)C1=O ZINC000004270453 568956763 /nfs/dbraw/zinc/95/67/63/568956763.db2.gz DLVPJUKESWMMMW-LBPRGKRZSA-N -1 1 400.456 2.655 50 0 HFAAMM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc21 ZINC000015682438 568968732 /nfs/dbraw/zinc/96/87/32/568968732.db2.gz JHMFJXCLFULZEX-UHFFFAOYSA-N -1 1 420.512 2.716 50 0 HFAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 ZINC000015730834 568981321 /nfs/dbraw/zinc/98/13/21/568981321.db2.gz KFXBWYXLLNIINQ-NSHDSACASA-N -1 1 406.485 2.954 50 0 HFAAMM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O ZINC000005530159 569019602 /nfs/dbraw/zinc/01/96/02/569019602.db2.gz GKJGFJJPLKUNTR-PDGQHHTCSA-N -1 1 416.437 2.654 50 0 HFAAMM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2)c1[O-] ZINC000005530159 569019603 /nfs/dbraw/zinc/01/96/03/569019603.db2.gz GKJGFJJPLKUNTR-PDGQHHTCSA-N -1 1 416.437 2.654 50 0 HFAAMM Nc1cc(=O)[n-]c(SCC(=O)N(CCc2ccccc2)Cc2cccs2)n1 ZINC000012918951 569022729 /nfs/dbraw/zinc/02/27/29/569022729.db2.gz DTXQOLXJQKHMFG-UHFFFAOYSA-N -1 1 400.529 2.777 50 0 HFAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1 ZINC000012919606 569022872 /nfs/dbraw/zinc/02/28/72/569022872.db2.gz JYECMGXCVLWHRC-QGZVFWFLSA-N -1 1 416.547 2.981 50 0 HFAAMM Cc1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)c(=O)[n-]3)CC2)cc1C ZINC000035781606 569059331 /nfs/dbraw/zinc/05/93/31/569059331.db2.gz SHNOOFXPNLSLBQ-UHFFFAOYSA-N -1 1 417.513 2.643 50 0 HFAAMM CC[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000064580592 569068505 /nfs/dbraw/zinc/06/85/05/569068505.db2.gz PJLGJKXPWNBVEV-UHFFFAOYSA-N -1 1 423.922 2.981 50 0 HFAAMM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)c(C(=O)[O-])c1 ZINC000064580558 569068584 /nfs/dbraw/zinc/06/85/84/569068584.db2.gz LYYUARLZDWIQBV-UHFFFAOYSA-N -1 1 423.922 2.899 50 0 HFAAMM COc1ccc(C(=O)N(Cc2ccccc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000064791784 569095771 /nfs/dbraw/zinc/09/57/71/569095771.db2.gz AUOIHPNSGPMBOD-UHFFFAOYSA-N -1 1 403.442 2.890 50 0 HFAAMM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3oc2=O)no1 ZINC000064947135 569129212 /nfs/dbraw/zinc/12/92/12/569129212.db2.gz HLFAPWUGOYBSDU-UHFFFAOYSA-N -1 1 414.443 2.697 50 0 HFAAMM COc1cc([N-]S(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc(OC)c1OC ZINC000064980334 569141376 /nfs/dbraw/zinc/14/13/76/569141376.db2.gz DJLAUWDJBCKFNW-UHFFFAOYSA-N -1 1 405.432 2.872 50 0 HFAAMM O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000036352704 569147414 /nfs/dbraw/zinc/14/74/14/569147414.db2.gz DVEWREXLPJMVPI-HXUWFJFHSA-N -1 1 413.499 2.731 50 0 HFAAMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007050601 569211872 /nfs/dbraw/zinc/21/18/72/569211872.db2.gz LAWIIYWNAZMGIM-UHFFFAOYSA-N -1 1 406.529 2.761 50 0 HFAAMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000007052022 569213814 /nfs/dbraw/zinc/21/38/14/569213814.db2.gz AYDYEHJZDSIGIM-UHFFFAOYSA-N -1 1 402.350 2.508 50 0 HFAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)COc2ccc3ccccc3c2)n1 ZINC000007419705 569237347 /nfs/dbraw/zinc/23/73/47/569237347.db2.gz SJCBNQBKPUOSFW-UHFFFAOYSA-N -1 1 403.442 2.997 50 0 HFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)c2c(C)[nH]c3ccccc32)n1 ZINC000007420556 569237435 /nfs/dbraw/zinc/23/74/35/569237435.db2.gz KEEQXRMHKHIHOU-UHFFFAOYSA-N -1 1 418.457 2.828 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CC(C)(C)OC3=O)cc2)cc1C ZINC000089643225 569261668 /nfs/dbraw/zinc/26/16/68/569261668.db2.gz RETBERAGIFNEBS-SFHVURJKSA-N -1 1 416.499 2.928 50 0 HFAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000008851415 571127206 /nfs/dbraw/zinc/12/72/06/571127206.db2.gz RIZYVIKKGOLTIH-UHFFFAOYSA-N -1 1 412.471 2.615 50 0 HFAAMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N(C)C)cc1C ZINC000040146671 571196414 /nfs/dbraw/zinc/19/64/14/571196414.db2.gz WQNADWUCJVVFEC-UHFFFAOYSA-N -1 1 407.492 2.915 50 0 HFAAMM CNC(=O)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000040156157 571203090 /nfs/dbraw/zinc/20/30/90/571203090.db2.gz CSGBGXHYCJICHN-HXUWFJFHSA-N -1 1 423.494 2.705 50 0 HFAAMM Cc1cc(NC(=O)C(=O)NC2CCCCCC2)n(-c2nc(C(C)C)cc(=O)[n-]2)n1 ZINC000009038437 571214266 /nfs/dbraw/zinc/21/42/66/571214266.db2.gz VNBUCJAQSSMEQW-UHFFFAOYSA-N -1 1 400.483 2.577 50 0 HFAAMM O=S(=O)([N-]CCOc1ccc(-c2ccc(F)cc2)nn1)c1cc(F)ccc1F ZINC000009852882 571288332 /nfs/dbraw/zinc/28/83/32/571288332.db2.gz BEAPPYCYPKBIJH-UHFFFAOYSA-N -1 1 409.389 2.918 50 0 HFAAMM CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O ZINC000018066164 571314342 /nfs/dbraw/zinc/31/43/42/571314342.db2.gz CXIWEAROZIIIJY-PDGQHHTCSA-N -1 1 416.437 2.654 50 0 HFAAMM CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-] ZINC000018066164 571314343 /nfs/dbraw/zinc/31/43/43/571314343.db2.gz CXIWEAROZIIIJY-PDGQHHTCSA-N -1 1 416.437 2.654 50 0 HFAAMM CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000005136873 132303072 /nfs/dbraw/zinc/30/30/72/132303072.db2.gz YBYVIIUCKMGBDV-UHFFFAOYSA-N -1 1 400.909 2.853 50 0 HFAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012774475 132367045 /nfs/dbraw/zinc/36/70/45/132367045.db2.gz UNXITAOOLZSMPY-UHFFFAOYSA-N -1 1 410.396 2.505 50 0 HFAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)N(C4CC4)C(=O)C3O)c2)cc1 ZINC000032932368 524016854 /nfs/dbraw/zinc/01/68/54/524016854.db2.gz AYOHOFQZJNFTCW-UHFFFAOYSA-N -1 1 415.471 2.748 50 0 HFAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1(c2ccc(F)cc2)CC1 ZINC000044342668 527129845 /nfs/dbraw/zinc/12/98/45/527129845.db2.gz IRZBICAVSCVQFR-UHFFFAOYSA-N -1 1 404.463 2.986 50 0 HFAAMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(CC(=O)OC)C(=O)CS3)cc1 ZINC000009153230 536190112 /nfs/dbraw/zinc/19/01/12/536190112.db2.gz RZVGZQPWYJJUQQ-UHFFFAOYSA-N -1 1 420.512 2.662 50 0 HFAAMM CN(c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)S(C)(=O)=O ZINC000000665526 557045210 /nfs/dbraw/zinc/04/52/10/557045210.db2.gz LFGPXZJFRLHNEL-UHFFFAOYSA-N -1 1 419.322 2.646 50 0 HFAAMM CCCc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1)OCO2 ZINC000001080731 557175362 /nfs/dbraw/zinc/17/53/62/557175362.db2.gz CLZBIJWPWAOVTA-UHFFFAOYSA-N -1 1 404.488 2.847 50 0 HFAAMM COc1cc([C@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)ccc1OCc1ccccc1C ZINC000004944807 557615702 /nfs/dbraw/zinc/61/57/02/557615702.db2.gz RYMXWPBJLBJLOJ-OAHLLOKOSA-N -1 1 406.442 2.722 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000007505325 557744257 /nfs/dbraw/zinc/74/42/57/557744257.db2.gz YBNXGKRADRHNQM-UHFFFAOYSA-N -1 1 410.517 2.671 50 0 HFAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000020489573 558377525 /nfs/dbraw/zinc/37/75/25/558377525.db2.gz YSDLZOMSFBIHFL-UHFFFAOYSA-N -1 1 407.923 2.837 50 0 HFAAMM Cn1c2cc(S(=O)(=O)[N-]c3ccc(C(=O)c4ccncc4)cc3)ccc2oc1=O ZINC000012428025 558403641 /nfs/dbraw/zinc/40/36/41/558403641.db2.gz GLEFRKXHBSNEEM-UHFFFAOYSA-N -1 1 409.423 2.558 50 0 HFAAMM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 ZINC000020735253 558407721 /nfs/dbraw/zinc/40/77/21/558407721.db2.gz UQJRLXSASXASGA-JOCHJYFZSA-N -1 1 412.534 2.622 50 0 HFAAMM O=C([O-])C1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000020762183 558411458 /nfs/dbraw/zinc/41/14/58/558411458.db2.gz FAZUZUMGVSABPM-UHFFFAOYSA-N -1 1 423.421 2.868 50 0 biogenic HFAAMM O=C([O-])C1CCN(C(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)CC1 ZINC000020762183 558411461 /nfs/dbraw/zinc/41/14/61/558411461.db2.gz FAZUZUMGVSABPM-UHFFFAOYSA-N -1 1 423.421 2.868 50 0 biogenic HFAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 ZINC000022591406 558500249 /nfs/dbraw/zinc/50/02/49/558500249.db2.gz HNIVCONXPLZXGL-VXKWHMMOSA-N -1 1 406.486 2.743 50 0 HFAAMM CSc1nc(C)c(CCC(=O)NCc2ccc(OCC(F)(F)F)cc2)c(=O)[n-]1 ZINC000023766925 558575494 /nfs/dbraw/zinc/57/54/94/558575494.db2.gz VFHUYYOZGAQHNY-UHFFFAOYSA-N -1 1 415.437 2.990 50 0 HFAAMM O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000028201840 558692469 /nfs/dbraw/zinc/69/24/69/558692469.db2.gz RRRDJPAEZOSYHB-UHFFFAOYSA-N -1 1 402.451 2.643 50 0 HFAAMM O=C(NC[C@@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033115273 558761284 /nfs/dbraw/zinc/76/12/84/558761284.db2.gz QUGNYRBHAZIGQV-SFHVURJKSA-N -1 1 418.490 2.953 50 0 HFAAMM CCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004660956 558873669 /nfs/dbraw/zinc/87/36/69/558873669.db2.gz AUXZIOWDXVZZEA-UHFFFAOYSA-N -1 1 419.547 2.869 50 0 HFAAMM CCN(CC)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCCC[C@@H]3C)c(=O)c2c1 ZINC000004669943 558880682 /nfs/dbraw/zinc/88/06/82/558880682.db2.gz PLOUCPOLZBNCAJ-AWEZNQCLSA-N -1 1 405.520 2.573 50 0 HFAAMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000010657307 558893543 /nfs/dbraw/zinc/89/35/43/558893543.db2.gz QEXAQKBXTIKPHF-UHFFFAOYSA-N -1 1 413.459 2.653 50 0 HFAAMM COc1ccc(-c2c3sc(=O)nc-3[nH]c3c2c(=O)[n-]n3C(C)C)c(OC)c1OC ZINC000072406250 558986788 /nfs/dbraw/zinc/98/67/88/558986788.db2.gz LEIOZDOLKCUDNF-UHFFFAOYSA-N -1 1 416.459 2.901 50 0 HFAAMM CCc1n[nH]c2c1CN(C(=O)c1cnc(C34CC5CC(CC(C5)C3)C4)[n-]c1=O)CC2 ZINC000091518826 559072000 /nfs/dbraw/zinc/07/20/00/559072000.db2.gz CZRNNLCGQQLKCX-UHFFFAOYSA-N -1 1 407.518 2.722 50 0 HFAAMM CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2oc1=O ZINC000004884230 559197630 /nfs/dbraw/zinc/19/76/30/559197630.db2.gz QPCBRZJLBZTPOW-UHFFFAOYSA-N -1 1 404.444 2.575 50 0 HFAAMM COc1ccc2cc(C=C3C(=O)[N-]C(=S)N3C(C)=O)c(N3CCCCC3)nc2c1 ZINC000100769331 559265094 /nfs/dbraw/zinc/26/50/94/559265094.db2.gz FZMWPTPVQSLKBE-WQRHYEAKSA-N -1 1 410.499 2.838 50 0 HFAAMM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2[O-])C[C@@H]1c1cccs1 ZINC000101456566 560795542 /nfs/dbraw/zinc/79/55/42/560795542.db2.gz PNKOQWISAVJFRN-MRXNPFEDSA-N -1 1 424.482 2.607 50 0 HFAAMM CC(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2)cc1 ZINC000101762388 560800419 /nfs/dbraw/zinc/80/04/19/560800419.db2.gz XUPDPHRJMKFAEP-GOSISDBHSA-N -1 1 404.470 2.853 50 0 HFAAMM COc1cccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1 ZINC000051316681 560856574 /nfs/dbraw/zinc/85/65/74/560856574.db2.gz UUCLTUHQUHRYGV-UHFFFAOYSA-N -1 1 407.455 2.848 50 0 HFAAMM CS(=O)(=O)Nc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000024895188 568478911 /nfs/dbraw/zinc/47/89/11/568478911.db2.gz ZSFHFUNIRCUHNM-UHFFFAOYSA-N -1 1 409.518 2.679 50 0 HFAAMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccn3Cc3cccs3)CC2)n1 ZINC000225530850 568647618 /nfs/dbraw/zinc/64/76/18/568647618.db2.gz JBPOXNPPNSLRRZ-UHFFFAOYSA-N -1 1 413.503 2.913 50 0 HFAAMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)OC)CC3)cc1 ZINC000096103696 568691935 /nfs/dbraw/zinc/69/19/35/568691935.db2.gz USCOXZGESCZVOJ-UHFFFAOYSA-N -1 1 419.459 2.790 50 0 HFAAMM COc1ccc(C2=NOC3=C([O-])N(c4ccc(F)c(Cl)c4)C(=O)[C@H]23)cc1OC ZINC000101261433 568697528 /nfs/dbraw/zinc/69/75/28/568697528.db2.gz ZDVHEGKWROSICS-WBVHZDCISA-N -1 1 404.781 2.789 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cnn(C)c3)c2)cc1 ZINC000025311018 568763508 /nfs/dbraw/zinc/76/35/08/568763508.db2.gz XKUBKONVUBOWEG-UHFFFAOYSA-N -1 1 400.460 2.872 50 0 HFAAMM CCOc1cc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)cc(C(F)(F)F)c1 ZINC000226687696 568821218 /nfs/dbraw/zinc/82/12/18/568821218.db2.gz RADNHYGWSOBNBU-UHFFFAOYSA-N -1 1 418.393 2.769 50 0 HFAAMM O=S(=O)([N-]CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(F)ccc1F ZINC000056997627 568822752 /nfs/dbraw/zinc/82/27/52/568822752.db2.gz GQDMGMQKACOYAR-UHFFFAOYSA-N -1 1 415.893 2.719 50 0 HFAAMM CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000012548394 568851566 /nfs/dbraw/zinc/85/15/66/568851566.db2.gz APJZPCWPIJDFCT-UHFFFAOYSA-N -1 1 403.865 2.633 50 0 HFAAMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012548478 568851731 /nfs/dbraw/zinc/85/17/31/568851731.db2.gz REDPUYRWZIRPGD-UHFFFAOYSA-N -1 1 411.439 2.906 50 0 HFAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000012637198 568883744 /nfs/dbraw/zinc/88/37/44/568883744.db2.gz IEOQBSQIKXANRG-INIZCTEOSA-N -1 1 423.498 2.756 50 0 HFAAMM O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)NCCc1ccccc1 ZINC000015732611 568982824 /nfs/dbraw/zinc/98/28/24/568982824.db2.gz ZFLIIFFKQQZCLM-UHFFFAOYSA-N -1 1 423.473 2.675 50 0 HFAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1 ZINC000012919610 569022886 /nfs/dbraw/zinc/02/28/86/569022886.db2.gz JYECMGXCVLWHRC-KRWDZBQOSA-N -1 1 416.547 2.981 50 0 HFAAMM CCC(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000015940982 569024111 /nfs/dbraw/zinc/02/41/11/569024111.db2.gz WLEROVKSQYBPGI-UHFFFAOYSA-N -1 1 402.476 2.575 50 0 HFAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)ccc1Br ZINC000016282220 569030373 /nfs/dbraw/zinc/03/03/73/569030373.db2.gz HCFHMSWSNFPTRW-UHFFFAOYSA-N -1 1 410.293 2.749 50 0 HFAAMM Nc1nc([O-])c(CC(=O)Nc2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)s1 ZINC000013006068 569049658 /nfs/dbraw/zinc/04/96/58/569049658.db2.gz SHBODKOWEOBTQI-QZTJIDSGSA-N -1 1 422.510 2.779 50 0 HFAAMM CCN(CC)c1ccc(NC(=O)COC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000006561073 569066075 /nfs/dbraw/zinc/06/60/75/569066075.db2.gz JJZIJFZCNPATEV-UHFFFAOYSA-N -1 1 421.519 2.927 50 0 HFAAMM COc1ccc(CN(C(=O)c2ccccc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000064791852 569095844 /nfs/dbraw/zinc/09/58/44/569095844.db2.gz CRFHLJNBJGAUOB-UHFFFAOYSA-N -1 1 403.442 2.890 50 0 HFAAMM CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)ccc21 ZINC000064818890 569101775 /nfs/dbraw/zinc/10/17/75/569101775.db2.gz ZYEGVWACBLGSRO-UHFFFAOYSA-N -1 1 422.434 2.796 50 0 HFAAMM CN(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000006752723 569111351 /nfs/dbraw/zinc/11/13/51/569111351.db2.gz JAHOSWLVZARMFD-ZYKOEDHHSA-N -1 1 421.497 2.980 50 0 HFAAMM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ncccn4)CC3)c2c1 ZINC000036365465 569152160 /nfs/dbraw/zinc/15/21/60/569152160.db2.gz MUBLSEPPQROTFK-IBGZPJMESA-N -1 1 422.489 2.500 50 0 HFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)c(C)c1 ZINC000065115441 569179347 /nfs/dbraw/zinc/17/93/47/569179347.db2.gz XANXBRAFJIMRGG-UHFFFAOYSA-N -1 1 415.471 2.718 50 0 HFAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)c1C ZINC000065115400 569179397 /nfs/dbraw/zinc/17/93/97/569179397.db2.gz HOMDWSDYVVNWNT-UHFFFAOYSA-N -1 1 415.471 2.718 50 0 HFAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCOCC1 ZINC000013848895 569258090 /nfs/dbraw/zinc/25/80/90/569258090.db2.gz HZYXBLBOOWHKPV-UHFFFAOYSA-N -1 1 412.870 2.681 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(S[C@@H](C)C(N)=O)nc3c2)cc1 ZINC000007807376 569311865 /nfs/dbraw/zinc/31/18/65/569311865.db2.gz ATGBALCQDBSGPF-JTQLQIEISA-N -1 1 407.473 2.603 50 0 HFAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(S[C@H](C)C(N)=O)nc3c2)cc1 ZINC000007807377 569311871 /nfs/dbraw/zinc/31/18/71/569311871.db2.gz ATGBALCQDBSGPF-SNVBAGLBSA-N -1 1 407.473 2.603 50 0 HFAAMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252679127 569319851 /nfs/dbraw/zinc/31/98/51/569319851.db2.gz IGERRMFEHWOOLW-HAQNSBGRSA-N -1 1 420.395 2.979 50 0 HFAAMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc([C@H](O)c4ccccn4)ccc3C)cc12 ZINC000253424670 569368002 /nfs/dbraw/zinc/36/80/02/569368002.db2.gz JFNQIACDFVWIJV-FQEVSTJZSA-N -1 1 423.498 2.863 50 0 HFAAMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)s1 ZINC000079052801 569425735 /nfs/dbraw/zinc/42/57/35/569425735.db2.gz ZMUMHUNGNWXWCL-UHFFFAOYSA-N -1 1 400.957 2.966 50 0 HFAAMM Cc1ccc([O-])c(S(=O)(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000040155893 571202829 /nfs/dbraw/zinc/20/28/29/571202829.db2.gz OATPGJHXHURCPL-UHFFFAOYSA-N -1 1 409.895 2.892 50 0 HFAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC(=O)OC)cc2)cc1 ZINC000009338467 571249464 /nfs/dbraw/zinc/24/94/64/571249464.db2.gz RDQOGEDHGICIIQ-AWEZNQCLSA-N -1 1 420.487 2.568 50 0 HFAAMM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-] ZINC000009358196 571251434 /nfs/dbraw/zinc/25/14/34/571251434.db2.gz GUTQLDFUWACKKM-LJQANCHMSA-N -1 1 422.872 2.943 50 0 biogenic HFAAMM COc1cc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000009408886 571255616 /nfs/dbraw/zinc/25/56/16/571255616.db2.gz QIODCYBHARFFQT-XQFWAAQXSA-N -1 1 424.453 2.628 50 0 HFAAMM COc1ccc(CNC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)cc1 ZINC000009530214 571266726 /nfs/dbraw/zinc/26/67/26/571266726.db2.gz ZCMBOZQCKASXNX-UHFFFAOYSA-N -1 1 405.501 2.523 50 0 HFAAMM COC(=O)C1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000010112595 571295212 /nfs/dbraw/zinc/29/52/12/571295212.db2.gz UVAAGSITSAFLAB-UHFFFAOYSA-N -1 1 416.499 2.821 50 0 HFAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)cc1Cl ZINC000001033532 132235507 /nfs/dbraw/zinc/23/55/07/132235507.db2.gz QFRXOJHWYNANNG-UHFFFAOYSA-N -1 1 409.895 2.936 50 0 HFAAMM CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000012408365 132359611 /nfs/dbraw/zinc/35/96/11/132359611.db2.gz UFTMMAOENBFBRI-INIZCTEOSA-N -1 1 409.490 2.948 50 0 HFAAMM C[C@]1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)NC(=O)NC1=O ZINC000032818919 525318243 /nfs/dbraw/zinc/31/82/43/525318243.db2.gz XRQOJYQVZSVQSQ-MRXNPFEDSA-N -1 1 414.270 2.849 50 0 HFAAMM COc1ccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000001032839 557148120 /nfs/dbraw/zinc/14/81/20/557148120.db2.gz LHIYSFBTZFZVAN-SECBINFHSA-N -1 1 412.316 2.782 50 0 HFAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCCCC1 ZINC000003299979 557469826 /nfs/dbraw/zinc/46/98/26/557469826.db2.gz MINXRHMQKUOIKA-UHFFFAOYSA-N -1 1 402.472 2.885 50 0 HFAAMM COc1cc([C@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)ccc1OCc1ccc(F)cc1 ZINC000004944815 557615977 /nfs/dbraw/zinc/61/59/77/557615977.db2.gz YDWUPDOMXZZZPU-CQSZACIVSA-N -1 1 410.405 2.553 50 0 HFAAMM Nc1nc(SCC(=O)Nc2cccc(F)c2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712439 557746188 /nfs/dbraw/zinc/74/61/88/557746188.db2.gz OJZPMCRDZDKQFV-UHFFFAOYSA-N -1 1 419.463 2.536 50 0 HFAAMM Nc1nc(SCC(=O)Nc2cccc(Cl)c2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712506 557746323 /nfs/dbraw/zinc/74/63/23/557746323.db2.gz BCGKFOLAFAKYNH-UHFFFAOYSA-N -1 1 419.850 2.582 50 0 HFAAMM COc1cc(OC)c([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC ZINC000008738414 557803261 /nfs/dbraw/zinc/80/32/61/557803261.db2.gz DLCJBBCFQIKHEK-CQSZACIVSA-N -1 1 407.426 2.937 50 0 HFAAMM COc1ccc2c(CCNC(=O)Cc3c(C)c4c([O-])cc(O)cc4oc3=O)c[nH]c2c1 ZINC000008764500 557806130 /nfs/dbraw/zinc/80/61/30/557806130.db2.gz XKRWKVQTIIULDJ-UHFFFAOYSA-N -1 1 422.437 2.904 50 0 biogenic HFAAMM COc1cccc(OC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)c1 ZINC000021885390 558453755 /nfs/dbraw/zinc/45/37/55/558453755.db2.gz WRUCWKWOXNPZDA-UHFFFAOYSA-N -1 1 408.439 2.791 50 0 HFAAMM O=C(NCCCNC(=O)C1(c2ccccc2)CCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000022471184 558491484 /nfs/dbraw/zinc/49/14/84/558491484.db2.gz UVJUNKJWNOJEAJ-UHFFFAOYSA-N -1 1 418.497 2.671 50 0 HFAAMM O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccc2ccccc21 ZINC000022471151 558491633 /nfs/dbraw/zinc/49/16/33/558491633.db2.gz RNLLXZJDXLUNMU-UHFFFAOYSA-N -1 1 400.438 2.626 50 0 HFAAMM CCc1n[n-]c(=S)n1CCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000072297919 558750387 /nfs/dbraw/zinc/75/03/87/558750387.db2.gz UOOLSECTJRCVQW-UHFFFAOYSA-N -1 1 416.532 2.571 50 0 HFAAMM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000033253975 558922172 /nfs/dbraw/zinc/92/21/72/558922172.db2.gz NOQBHYPOFNCMIW-UHFFFAOYSA-N -1 1 421.519 2.582 50 0 HFAAMM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000033253973 558922202 /nfs/dbraw/zinc/92/22/02/558922202.db2.gz FSIZAGZMNKJNPG-UHFFFAOYSA-N -1 1 409.483 2.713 50 0 HFAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000072140567 558929342 /nfs/dbraw/zinc/92/93/42/558929342.db2.gz MGTDJYNWHOLAOA-UHFFFAOYSA-N -1 1 405.545 2.597 50 0 HFAAMM CCCc1cc(=O)[n-]c(SCc2nc(CC(=O)Nc3ccccc3OC)no2)n1 ZINC000011443464 559076324 /nfs/dbraw/zinc/07/63/24/559076324.db2.gz BEACFBCZSPDLAS-UHFFFAOYSA-N -1 1 415.475 3.000 50 0 HFAAMM CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3CC)cc2oc1=O ZINC000004884222 559197566 /nfs/dbraw/zinc/19/75/66/559197566.db2.gz YHMZTJHQRUTMNX-UHFFFAOYSA-N -1 1 404.444 2.521 50 0 HFAAMM CCc1cc2c(COC(=O)c3cccc(NS(C)(=O)=O)c3)cc(=O)oc2cc1[O-] ZINC000005601922 560629133 /nfs/dbraw/zinc/62/91/33/560629133.db2.gz MJOXSKOLCWLMJU-UHFFFAOYSA-N -1 1 417.439 2.790 50 0 HFAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000017248004 560705016 /nfs/dbraw/zinc/70/50/16/560705016.db2.gz YWYMYHWTDOWQST-UHFFFAOYSA-N -1 1 402.472 2.948 50 0 HFAAMM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 ZINC000017289009 560706056 /nfs/dbraw/zinc/70/60/56/560706056.db2.gz ZQEICYCBXWGEHJ-UHFFFAOYSA-N -1 1 401.488 2.991 50 0 HFAAMM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)C[C@H]1c1cccs1 ZINC000101456546 560795571 /nfs/dbraw/zinc/79/55/71/560795571.db2.gz BQQAYTZSMSOJLW-AWEZNQCLSA-N -1 1 402.476 2.507 50 0 HFAAMM Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[n-]1 ZINC000012123644 560889612 /nfs/dbraw/zinc/88/96/12/560889612.db2.gz ULXZJZMZYBSOSQ-UHFFFAOYSA-N -1 1 416.441 2.753 50 0 HFAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)C=Cc2ccc3c(c2)OCO3)[n-]c(=O)c1C ZINC000012127104 560889679 /nfs/dbraw/zinc/88/96/79/560889679.db2.gz WVSRDYSYQZXJDY-YWEYNIOJSA-N -1 1 419.441 2.830 50 0 HFAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(Br)c1)CC(=O)N2 ZINC000046073885 568426626 /nfs/dbraw/zinc/42/66/26/568426626.db2.gz BGGAPBSCDHYOES-JTQLQIEISA-N -1 1 423.292 2.709 50 0 HFAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)ccc1Br ZINC000012556960 568856010 /nfs/dbraw/zinc/85/60/10/568856010.db2.gz NTNBZANMDHHFRQ-UHFFFAOYSA-N -1 1 419.322 2.514 50 0 HFAAMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1C ZINC000058009266 568875071 /nfs/dbraw/zinc/87/50/71/568875071.db2.gz URSWJMHBIFKRGE-UHFFFAOYSA-N -1 1 417.531 2.863 50 0 HFAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000263587408 568882975 /nfs/dbraw/zinc/88/29/75/568882975.db2.gz GPJDEKGIWUBNAU-ZDUSSCGKSA-N -1 1 405.376 2.727 50 0 HFAAMM 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