smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(CCC(C)C)c1=O ZINC000005817265 960786433 /nfs/dbraw/zinc/78/64/33/960786433.db2.gz PEFCVSSJEWKFDO-UHFFFAOYSA-N -1 0 408.454 3.792 50 0 HHAARM Cc1csc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])n1 ZINC000044321368 967193362 /nfs/dbraw/zinc/19/33/62/967193362.db2.gz USYDGGCBXOHSGH-LJQANCHMSA-N -1 0 408.479 3.986 50 0 HHAARM Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)N1CCC(C(=O)[O-])CC1 ZINC000222160133 970101423 /nfs/dbraw/zinc/10/14/23/970101423.db2.gz AFIUSNOBPNIJCJ-FPLPWBNLSA-N -1 0 401.894 3.538 50 0 HHAARM Cc1c(C(=O)[O-])oc2c1C(N=Nc1ncnc3c1cnn3-c1ccccc1)CCC2 ZINC000254626330 970576718 /nfs/dbraw/zinc/57/67/18/970576718.db2.gz FCAFZSSIGMRGPL-UHFFFAOYSA-N -1 0 402.414 3.568 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)C)CCC2 ZINC000005136576 132302744 /nfs/dbraw/zinc/30/27/44/132302744.db2.gz MEXBHKOSKFGNBV-UHFFFAOYSA-N -1 0 402.516 3.740 50 0 HHAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023157406 132478634 /nfs/dbraw/zinc/47/86/34/132478634.db2.gz OBFKQJVSRDZUHO-LJQANCHMSA-N -1 0 423.517 3.856 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)cs1 ZINC000045961653 524245951 /nfs/dbraw/zinc/24/59/51/524245951.db2.gz BQJWOZVDPLYEHI-UHFFFAOYSA-N -1 0 414.936 3.837 50 0 HHAARM Cc1cccc(CSc2ncc(Cl)c(C(=O)N[C@H](CC(C)C)C(=O)[O-])n2)c1 ZINC000041154600 524464447 /nfs/dbraw/zinc/46/44/47/524464447.db2.gz DSBWXRSHJYTBJS-OAHLLOKOSA-N -1 0 407.923 3.960 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(N4CCOCC4)n3)cc2)s1 ZINC000032885523 525594536 /nfs/dbraw/zinc/59/45/36/525594536.db2.gz MNCLLZBEWQJZAW-UHFFFAOYSA-N -1 0 421.569 3.817 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c(Br)c1 ZINC000032097902 525618543 /nfs/dbraw/zinc/61/85/43/525618543.db2.gz JKILHXAWTICDRR-UHFFFAOYSA-N -1 0 409.309 3.884 50 0 HHAARM COc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)cc(OC)c1OC ZINC000000707051 557064623 /nfs/dbraw/zinc/06/46/23/557064623.db2.gz QECONBDPHOKWPN-JTQLQIEISA-N -1 0 405.472 3.849 50 0 HHAARM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)c2)c1 ZINC000000754836 557076621 /nfs/dbraw/zinc/07/66/21/557076621.db2.gz HKRILFDSFKMYMU-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001128724 557196976 /nfs/dbraw/zinc/19/69/76/557196976.db2.gz AOKBBEZPYGUQKT-UHFFFAOYSA-N -1 0 422.466 3.893 50 0 HHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1C ZINC000001142045 557204724 /nfs/dbraw/zinc/20/47/24/557204724.db2.gz CDEOSPHUUJJDGT-UHFFFAOYSA-N -1 0 404.271 3.898 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Cc2ccccc2)cc1 ZINC000001425363 557261422 /nfs/dbraw/zinc/26/14/22/557261422.db2.gz OHEPHJLUOGRZLF-UHFFFAOYSA-N -1 0 408.479 3.871 50 0 HHAARM CCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000001507290 557270637 /nfs/dbraw/zinc/27/06/37/557270637.db2.gz UPUKZMSYMFEDBY-GOSISDBHSA-N -1 0 410.455 3.617 50 0 HHAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccc(C)cc1)C(F)(F)F ZINC000002050310 557300654 /nfs/dbraw/zinc/30/06/54/557300654.db2.gz HXMLKZZERUWFBL-SFHVURJKSA-N -1 0 423.416 3.878 50 0 HHAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000002050506 557300933 /nfs/dbraw/zinc/30/09/33/557300933.db2.gz RWKYHDHJKASDIC-GOSISDBHSA-N -1 0 423.416 3.878 50 0 HHAARM O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccccc1[S-] ZINC000002073928 557308030 /nfs/dbraw/zinc/30/80/30/557308030.db2.gz OYJXNPCXCBCMDD-UHFFFAOYSA-N -1 0 422.300 3.883 50 0 HHAARM CC(C)(C)OC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002539220 557355269 /nfs/dbraw/zinc/35/52/69/557355269.db2.gz VZXQYACYLGRQJU-IBGZPJMESA-N -1 0 411.454 3.710 50 0 HHAARM O=C([O-])[C@H](Cc1cccc(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583029 557358335 /nfs/dbraw/zinc/35/83/35/557358335.db2.gz QTAKQPPYEQCJTJ-QFIPXVFZSA-N -1 0 403.434 3.927 50 0 HHAARM CCCOc1cccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034765366 557461874 /nfs/dbraw/zinc/46/18/74/557461874.db2.gz XIFNLBFRRYRHEI-UHFFFAOYSA-N -1 0 420.513 3.715 50 0 HHAARM CCc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000003635192 557495637 /nfs/dbraw/zinc/49/56/37/557495637.db2.gz ACCPTPOVBWUFJU-XDJZYPBNSA-N -1 0 423.468 3.884 50 0 HHAARM O=C1N[C@H](c2cccc(Cl)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000002701389 557742543 /nfs/dbraw/zinc/74/25/43/557742543.db2.gz ZDOBPFPNNQUTKL-ZOWXZIJZSA-N -1 0 404.797 3.505 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1Br ZINC000002737527 557751715 /nfs/dbraw/zinc/75/17/15/557751715.db2.gz VWEPJPPWHHQBQJ-NXEZZACHSA-N -1 0 403.070 3.817 50 0 HHAARM O=C([O-])CCCC(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Br ZINC000002764180 557756478 /nfs/dbraw/zinc/75/64/78/557756478.db2.gz OJCCOQURKDYQJA-UHFFFAOYSA-N -1 0 400.660 3.541 50 0 HHAARM Cc1c(-c2ccc(OCC(N)=O)cc2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000002769638 557760206 /nfs/dbraw/zinc/76/02/06/557760206.db2.gz NRUUJZAZQFHXGS-UHFFFAOYSA-N -1 0 415.243 3.535 50 0 HHAARM CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020289109 558353530 /nfs/dbraw/zinc/35/35/30/558353530.db2.gz VSVPDFKYNLYUFH-DYTRJAOYSA-N -1 0 416.481 3.556 50 0 HHAARM Cc1cccc(-n2c3nc(-c4ccc(F)cc4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000020605713 558387755 /nfs/dbraw/zinc/38/77/55/558387755.db2.gz PHWKUQGVNLPNKQ-UHFFFAOYSA-N -1 0 407.426 3.882 50 0 HHAARM CSc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012408161 558399236 /nfs/dbraw/zinc/39/92/36/558399236.db2.gz IVAXSOABKZVCDG-HXUWFJFHSA-N -1 0 420.494 3.894 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000020733213 558407099 /nfs/dbraw/zinc/40/70/99/558407099.db2.gz DJFAVSWKYYGECG-KRWDZBQOSA-N -1 0 400.887 3.818 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCC2CCCCC2)c1 ZINC000012631516 558442074 /nfs/dbraw/zinc/44/20/74/558442074.db2.gz MYMZGQABHXGFFW-UHFFFAOYSA-N -1 0 402.516 3.806 50 0 HHAARM O=C([O-])C[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000022229313 558468112 /nfs/dbraw/zinc/46/81/12/558468112.db2.gz HURYDRANBZDEAQ-IFRHDIGASA-N -1 0 414.461 3.790 50 0 HHAARM Cc1cc(-c2cccc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)c2)nc2ccccc12 ZINC000013317107 558529963 /nfs/dbraw/zinc/52/99/63/558529963.db2.gz UWONBJFUMBSGMF-UHFFFAOYSA-N -1 0 410.495 3.696 50 0 HHAARM Cc1ccc(NC(=S)N[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000013544888 558537833 /nfs/dbraw/zinc/53/78/33/558537833.db2.gz AYWJYEWOGJXFBY-UHFFFAOYSA-N -1 0 405.932 3.982 50 0 HHAARM COc1ccc(-c2cc(C(=O)[O-])n3nc4nc(C(F)(F)F)cc(C)c4c3n2)cc1 ZINC000013645100 558556451 /nfs/dbraw/zinc/55/64/51/558556451.db2.gz LQZNLPIYKBMBCK-UHFFFAOYSA-N -1 0 402.332 3.979 50 0 HHAARM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013679954 558565953 /nfs/dbraw/zinc/56/59/53/558565953.db2.gz SQQFTRXULBXBQG-UHFFFAOYSA-N -1 0 416.524 3.830 50 0 HHAARM CCOc1ccc(COc2ccc([C@H]3N[C@H](C(=O)[O-])CS3)cc2)cc1OCC ZINC000013961497 558609150 /nfs/dbraw/zinc/60/91/50/558609150.db2.gz PROCNAZBPOOCPM-PXNSSMCTSA-N -1 0 403.500 3.851 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3ccc(Br)cc3)nc2)no1 ZINC000024990654 558625878 /nfs/dbraw/zinc/62/58/78/558625878.db2.gz DGIYZPVYBMAPGD-UHFFFAOYSA-N -1 0 410.249 3.734 50 0 HHAARM COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004549994 558673911 /nfs/dbraw/zinc/67/39/11/558673911.db2.gz YLZTWNDSCCJXGQ-HUBLWGQQSA-N -1 0 402.274 3.605 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000015797329 558753727 /nfs/dbraw/zinc/75/37/27/558753727.db2.gz DJGKXTBGNPPUMA-WMLDXEAASA-N -1 0 420.506 3.944 50 0 HHAARM Cc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015979707 558765150 /nfs/dbraw/zinc/76/51/50/558765150.db2.gz HEUIHLYFEGDAKW-UHFFFAOYSA-N -1 0 401.875 3.631 50 0 HHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000016301996 558784709 /nfs/dbraw/zinc/78/47/09/558784709.db2.gz LSXOCZOLTHLHGQ-UHFFFAOYSA-N -1 0 421.394 3.881 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@@H]2CCCO2)c(C)c1 ZINC000016955918 558809991 /nfs/dbraw/zinc/80/99/91/558809991.db2.gz IWMBNOLOQBKALF-INIZCTEOSA-N -1 0 412.515 3.638 50 0 HHAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081993 558813908 /nfs/dbraw/zinc/81/39/08/558813908.db2.gz JWLSNJKUNIOSFV-LSDHHAIUSA-N -1 0 400.500 3.960 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@H](C(=O)[O-])C1 ZINC000017082481 558814604 /nfs/dbraw/zinc/81/46/04/558814604.db2.gz HMUFGBIGWBOOGP-LSDHHAIUSA-N -1 0 402.516 3.515 50 0 HHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)c1 ZINC000097938033 558820796 /nfs/dbraw/zinc/82/07/96/558820796.db2.gz VDCPZABQQLSTQT-UHFFFAOYSA-N -1 0 400.460 3.562 50 0 HHAARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCc2ccccc2-3)[C@H](C(=O)[O-])C1 ZINC000017093974 558822346 /nfs/dbraw/zinc/82/23/46/558822346.db2.gz YTFMKSKHTNCQDV-IAGOWNOFSA-N -1 0 424.522 3.998 50 0 HHAARM CCOC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325922 558862657 /nfs/dbraw/zinc/86/26/57/558862657.db2.gz HDFGZKULBIFXOH-CYBMUJFWSA-N -1 0 415.829 3.701 50 0 biogenic HHAARM CCCn1c2ccccc2nc1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000010652835 558885391 /nfs/dbraw/zinc/88/53/91/558885391.db2.gz MNUUQYAXXJXPMG-UHFFFAOYSA-N -1 0 407.499 3.848 50 0 HHAARM COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2 ZINC000004671789 558885885 /nfs/dbraw/zinc/88/58/85/558885885.db2.gz LPVHYCYSSVJVKH-UHFFFAOYSA-N -1 0 402.472 3.691 50 0 HHAARM COc1ccccc1S(=O)(=O)[N-]c1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000058017327 558895671 /nfs/dbraw/zinc/89/56/71/558895671.db2.gz QQSFHIQOHIOBRO-UHFFFAOYSA-N -1 0 406.504 3.863 50 0 HHAARM O=C([O-])c1n[nH]cc1CN1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067741623 558992118 /nfs/dbraw/zinc/99/21/18/558992118.db2.gz SKKGLEUPBDGDCQ-UHFFFAOYSA-N -1 0 413.481 3.570 50 0 HHAARM CCOc1ccc(-c2ccnc(NCc3cn4cc(C)ccc4n3)n2)cc1C(=O)[O-] ZINC000077288109 559000646 /nfs/dbraw/zinc/00/06/46/559000646.db2.gz WLULPWRXPKKYHN-UHFFFAOYSA-N -1 0 403.442 3.809 50 0 HHAARM Cc1ccc(-n2c(C)nc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3c2=O)cc1 ZINC000023143951 559020978 /nfs/dbraw/zinc/02/09/78/559020978.db2.gz YLRCWJDRZOKIRL-UHFFFAOYSA-N -1 0 423.469 3.942 50 0 HHAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)c(C)c1 ZINC000098087044 559126845 /nfs/dbraw/zinc/12/68/45/559126845.db2.gz CLMQWNHIFRMIMT-YVLHZVERSA-N -1 0 410.451 3.677 50 0 HHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c1=O ZINC000100543170 559136250 /nfs/dbraw/zinc/13/62/50/559136250.db2.gz UUWWWQCCYUXVRW-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM O=C([O-])CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000004863065 559193303 /nfs/dbraw/zinc/19/33/03/559193303.db2.gz MWYATKSUDJGVFA-OAHLLOKOSA-N -1 0 405.248 3.975 50 0 HHAARM O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2ccccc2O)c(Cl)c1=O)C3 ZINC000004912694 559204039 /nfs/dbraw/zinc/20/40/39/559204039.db2.gz MMGZLGKPZVRPCP-DJCZSRRASA-N -1 0 415.877 3.582 50 0 HHAARM O=C([O-])CCNC(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000004942594 559214166 /nfs/dbraw/zinc/21/41/66/559214166.db2.gz ZQJQXPSNHOOMCS-UHFFFAOYSA-N -1 0 401.875 3.633 50 0 HHAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238881758 559271555 /nfs/dbraw/zinc/27/15/55/559271555.db2.gz BFYMPCVNAMZPLB-MGPQQGTHSA-N -1 0 421.877 3.529 50 0 biogenic HHAARM C[C@H](NC(=O)c1cc(Br)cc(Br)c1[O-])c1ccncc1 ZINC000005226852 560546181 /nfs/dbraw/zinc/54/61/81/560546181.db2.gz HOCSGZICPRCWCC-QMMMGPOBSA-N -1 0 400.070 3.803 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1N1CCCCC1=O ZINC000005330210 560565711 /nfs/dbraw/zinc/56/57/11/560565711.db2.gz CGWDSUJOYGVASD-UHFFFAOYSA-N -1 0 400.909 3.728 50 0 HHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)C)CCC2 ZINC000005136583 560624381 /nfs/dbraw/zinc/62/43/81/560624381.db2.gz IMPYHDYCQDALCQ-UHFFFAOYSA-N -1 0 406.479 3.570 50 0 HHAARM OC(c1ccccc1)=C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000169680865 560765442 /nfs/dbraw/zinc/76/54/42/560765442.db2.gz KVPDPAYJXWEZAU-ZQIUZPCESA-N -1 0 414.836 3.609 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1C ZINC000101168235 560787519 /nfs/dbraw/zinc/78/75/19/560787519.db2.gz HCLUIKNGMWNWIZ-DLBZAZTESA-N -1 0 402.376 3.816 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCCC4=CCCCC4)c3=O)c2c1 ZINC000101497625 560796500 /nfs/dbraw/zinc/79/65/00/560796500.db2.gz JUUANDCLAXMHKA-UHFFFAOYSA-N -1 0 412.515 3.556 50 0 HHAARM CCc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(OC)c3)c2=O)c1 ZINC000101722239 560798719 /nfs/dbraw/zinc/79/87/19/560798719.db2.gz BCNYKVVZKPSNBW-UHFFFAOYSA-N -1 0 415.449 3.915 50 0 HHAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)cc1F ZINC000101722757 560799003 /nfs/dbraw/zinc/79/90/03/560799003.db2.gz OCIXMETWFPTUTO-UHFFFAOYSA-N -1 0 419.412 3.550 50 0 HHAARM Cc1cc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)ccc1F ZINC000101723022 560799186 /nfs/dbraw/zinc/79/91/86/560799186.db2.gz JKNLQYCRIKTULQ-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(F)cc1F ZINC000101835575 560803328 /nfs/dbraw/zinc/80/33/28/560803328.db2.gz HQPQPCHFHKSIEU-SFHVURJKSA-N -1 0 410.380 3.705 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000101836288 560803508 /nfs/dbraw/zinc/80/35/08/560803508.db2.gz KAVGZWGZNAQVDF-SFHVURJKSA-N -1 0 424.844 3.781 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(Cl)cc1 ZINC000101836243 560803529 /nfs/dbraw/zinc/80/35/29/560803529.db2.gz MRHLAMNBMKCLBI-QGZVFWFLSA-N -1 0 424.844 3.781 50 0 HHAARM COc1ccc([C@H]2c3c(=O)nc4[n-]c(C)nn4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102326322 560809854 /nfs/dbraw/zinc/80/98/54/560809854.db2.gz GEDGXFNMPOXPGG-MRXNPFEDSA-N -1 0 405.458 3.997 50 0 HHAARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000103561195 560843238 /nfs/dbraw/zinc/84/32/38/560843238.db2.gz PQIFHYRZSUYMNW-FDFHNCONSA-N -1 0 415.449 3.531 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914325 560879151 /nfs/dbraw/zinc/87/91/51/560879151.db2.gz QYXRZSCSIYIESH-UHFFFAOYSA-N -1 0 410.455 3.931 50 0 HHAARM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nc(C)n1 ZINC000012226334 560894600 /nfs/dbraw/zinc/89/46/00/560894600.db2.gz GZWCMJBRFAQVOV-UHFFFAOYSA-N -1 0 402.451 3.867 50 0 HHAARM CC(=O)c1nn(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3)c(O)c12 ZINC000018022677 568417895 /nfs/dbraw/zinc/41/78/95/568417895.db2.gz GTYSYUNTCAFDQD-FUHWJXTLSA-N -1 0 416.264 3.625 50 0 HHAARM COc1cccc2c(C)cc(-n3nc(C)cc3[N-]S(=O)(=O)c3ccccc3)nc12 ZINC000012251436 568456237 /nfs/dbraw/zinc/45/62/37/568456237.db2.gz LEBCTTPIOMMLER-UHFFFAOYSA-N -1 0 408.483 3.847 50 0 HHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000094992900 568593356 /nfs/dbraw/zinc/59/33/56/568593356.db2.gz WYYCUXZUXHVWDV-IBGZPJMESA-N -1 0 405.479 3.646 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487318 568613360 /nfs/dbraw/zinc/61/33/60/568613360.db2.gz SXCALUYBGPRWAP-UHFFFAOYSA-N -1 0 418.515 3.539 50 0 HHAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000020618518 568638245 /nfs/dbraw/zinc/63/82/45/568638245.db2.gz ZPHBLCMZCICJNU-UHFFFAOYSA-N -1 0 415.559 3.511 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)s2)on1 ZINC000020994765 568656403 /nfs/dbraw/zinc/65/64/03/568656403.db2.gz FBIALKAPUVVCTN-UHFFFAOYSA-N -1 0 414.411 3.659 50 0 HHAARM CCc1nc([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)no1 ZINC000225606727 568656413 /nfs/dbraw/zinc/65/64/13/568656413.db2.gz BJLMADNCWXVVNT-UHFFFAOYSA-N -1 0 401.069 3.502 50 0 HHAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)OCC)ccc1C ZINC000225617726 568657601 /nfs/dbraw/zinc/65/76/01/568657601.db2.gz GHXWNZZNXWXXLX-UHFFFAOYSA-N -1 0 419.499 3.865 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)n1C ZINC000021030221 568659226 /nfs/dbraw/zinc/65/92/26/568659226.db2.gz MHMPHYQMDLMDRQ-UHFFFAOYSA-N -1 0 417.575 3.932 50 0 HHAARM O=S1(=O)[N-]C(SCc2ccc(Br)cc2F)=Nc2ccccc21 ZINC000021117370 568669240 /nfs/dbraw/zinc/66/92/40/568669240.db2.gz BPGOMBIYFBCZGK-UHFFFAOYSA-N -1 0 401.282 3.992 50 0 HHAARM Cn1c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc2cc(C(F)(F)F)ccc21 ZINC000095969924 568671310 /nfs/dbraw/zinc/67/13/10/568671310.db2.gz RCDSRQQUCNBCPV-SFHVURJKSA-N -1 0 402.372 3.849 50 0 HHAARM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000095970656 568671472 /nfs/dbraw/zinc/67/14/72/568671472.db2.gz NWGGZEKYZKPMRD-KBPBESRZSA-N -1 0 402.516 3.500 50 0 HHAARM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000095970657 568671549 /nfs/dbraw/zinc/67/15/49/568671549.db2.gz NWGGZEKYZKPMRD-ZIAGYGMSSA-N -1 0 402.516 3.500 50 0 HHAARM CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118179 568697886 /nfs/dbraw/zinc/69/78/86/568697886.db2.gz NCUWQEGFHQDSOK-ZBFHGGJFSA-N -1 0 401.488 3.891 50 0 HHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000058190389 568699238 /nfs/dbraw/zinc/69/92/38/568699238.db2.gz KJPVLUBDCDMGJH-UHFFFAOYSA-N -1 0 419.728 3.978 50 0 HHAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229881559 568715716 /nfs/dbraw/zinc/71/57/16/568715716.db2.gz JYJQMKATQMDTHU-BHDDXSALSA-N -1 0 400.434 3.746 50 0 HHAARM O=C([O-])[C@@H]1CS[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000003013674 568726955 /nfs/dbraw/zinc/72/69/55/568726955.db2.gz MUWVWLDETLYPGV-GOEBONIOSA-N -1 0 412.280 3.955 50 0 HHAARM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nnc(C(F)(F)F)n3n2)c1 ZINC000239352611 568729016 /nfs/dbraw/zinc/72/90/16/568729016.db2.gz ACQDAWFGLNVAGR-UHFFFAOYSA-N -1 0 419.816 3.721 50 0 HHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000096361135 568738958 /nfs/dbraw/zinc/73/89/58/568738958.db2.gz CQWVWPFGQIVPIF-UHFFFAOYSA-N -1 0 402.451 3.527 50 0 HHAARM COc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CCC4)o3)c2C)c1 ZINC000096379509 568740912 /nfs/dbraw/zinc/74/09/12/568740912.db2.gz NEEWDFIUNBNFBY-UHFFFAOYSA-N -1 0 402.476 3.758 50 0 HHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Br)c3)c2)no1 ZINC000021702160 568741848 /nfs/dbraw/zinc/74/18/48/568741848.db2.gz LEEJXSSRVCPOPQ-UHFFFAOYSA-N -1 0 414.306 3.924 50 0 HHAARM COc1ccc(Cl)cc1NC(=O)Cc1c(C)[n-]n(-c2nc(C)c(C)s2)c1=O ZINC000021802341 568754218 /nfs/dbraw/zinc/75/42/18/568754218.db2.gz IQUCZOODWSPDAI-UHFFFAOYSA-N -1 0 406.895 3.803 50 0 HHAARM CC1=CC[C@H](C(=O)[O-])[C@@H](C(=O)Nc2ccc(CN3OCC(C)(C)C3=O)c(Cl)c2)C1 ZINC000096592272 568763112 /nfs/dbraw/zinc/76/31/12/568763112.db2.gz XCVTUDHJHCRBJL-HOTGVXAUSA-N -1 0 420.893 3.636 50 0 HHAARM COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001156264 568775045 /nfs/dbraw/zinc/77/50/45/568775045.db2.gz BLORUYUWRJDNNF-KGENOOAVSA-N -1 0 416.433 3.803 50 0 HHAARM Cc1nn(C)cc1-c1cc(-c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)no1 ZINC000002731268 568804937 /nfs/dbraw/zinc/80/49/37/568804937.db2.gz PQPIANUDZGIKJT-UHFFFAOYSA-N -1 0 418.486 3.890 50 0 HHAARM Cc1cc(C)n([N-]C(=O)c2ccc(COc3ccc(Br)cc3)o2)c(=O)c1 ZINC000002790920 568809621 /nfs/dbraw/zinc/80/96/21/568809621.db2.gz KGEVBNJAFBFQQP-UHFFFAOYSA-N -1 0 417.259 3.784 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2n[nH]c3ccccc32)c1 ZINC000012540150 568847255 /nfs/dbraw/zinc/84/72/55/568847255.db2.gz ZVSCMHAXVXBVMK-UHFFFAOYSA-N -1 0 422.466 3.625 50 0 HHAARM COc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C)c2C)cc1OC ZINC000012551999 568853763 /nfs/dbraw/zinc/85/37/63/568853763.db2.gz OYMHPMLKHWBBTD-UHFFFAOYSA-N -1 0 400.294 3.884 50 0 HHAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2F)c(C(F)(F)F)c1)C1CC1 ZINC000012583689 568865733 /nfs/dbraw/zinc/86/57/33/568865733.db2.gz JNDVEITYULFRHW-UHFFFAOYSA-N -1 0 402.369 3.994 50 0 HHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000012604514 568870641 /nfs/dbraw/zinc/87/06/41/568870641.db2.gz VPHBGALYINDDLX-UHFFFAOYSA-N -1 0 420.288 3.716 50 0 HHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000012604648 568870858 /nfs/dbraw/zinc/87/08/58/568870858.db2.gz JFLQPWJGLZUCEM-UHFFFAOYSA-N -1 0 417.512 3.704 50 0 HHAARM CCn1c(C)nc2cc(C(=O)n3cc(C(=O)c4cc(Cl)ccc4[O-])cn3)ccc21 ZINC000003316011 568879298 /nfs/dbraw/zinc/87/92/98/568879298.db2.gz YXLNUZMPVVHALX-UHFFFAOYSA-N -1 0 408.845 3.840 50 0 HHAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1 ZINC000003333219 568882478 /nfs/dbraw/zinc/88/24/78/568882478.db2.gz GVNQKYRDSIWKLG-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000003635203 568921526 /nfs/dbraw/zinc/92/15/26/568921526.db2.gz MWBHOWLAZNJVJF-FPAXGFGJSA-N -1 0 423.468 3.884 50 0 HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)s1 ZINC000003991778 568931494 /nfs/dbraw/zinc/93/14/94/568931494.db2.gz SATXCTLNVLIYHO-UHFFFAOYSA-N -1 0 419.557 3.710 50 0 HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCCCC(=O)[O-])c(C)c2oc1=O ZINC000004064718 568937580 /nfs/dbraw/zinc/93/75/80/568937580.db2.gz NTANGUZPCJVHRW-UHFFFAOYSA-N -1 0 417.502 3.892 50 0 biogenic HHAARM NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004180072 568949208 /nfs/dbraw/zinc/94/92/08/568949208.db2.gz DIKJZBPRGIMLAY-CHWSQXEVSA-N -1 0 404.875 3.773 50 0 HHAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1ccc(F)c(Cl)c1 ZINC000004317404 568962622 /nfs/dbraw/zinc/96/26/22/568962622.db2.gz GWWZHGPGBUFAOO-UHFFFAOYSA-N -1 0 404.854 3.691 50 0 HHAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1ccc(F)cc1F ZINC000015731513 568982060 /nfs/dbraw/zinc/98/20/60/568982060.db2.gz JWMFAPHMQFYICI-UHFFFAOYSA-N -1 0 418.421 3.632 50 0 HHAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1C ZINC000035397342 569034888 /nfs/dbraw/zinc/03/48/88/569034888.db2.gz WWYOMXPLYWSMDX-UHFFFAOYSA-N -1 0 417.531 3.742 50 0 HHAARM Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397594 569034965 /nfs/dbraw/zinc/03/49/65/569034965.db2.gz NWMKZCLVRFHJKY-UHFFFAOYSA-N -1 0 417.531 3.968 50 0 HHAARM COc1ccc(N=C2S/C(=C\c3cn(CC(=O)[O-])c4ccccc34)C(=O)N2C)cc1 ZINC000252639839 569061051 /nfs/dbraw/zinc/06/10/51/569061051.db2.gz YOBTYTTUXUCLTN-KHUUNVOJSA-N -1 0 421.478 3.968 50 0 HHAARM CC1(C)c2sc(=O)[nH]c2S[C@@H](C(=O)[O-])[C@H]1C(=O)c1ccc2c(c1)CCCC2 ZINC000006550529 569064991 /nfs/dbraw/zinc/06/49/91/569064991.db2.gz UCXBMFCDQGUMNO-UKRRQHHQSA-N -1 0 403.525 3.651 50 0 HHAARM CC(C)C(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC000064589702 569069045 /nfs/dbraw/zinc/06/90/45/569069045.db2.gz WAAXEAVQCSBFOM-UHFFFAOYSA-N -1 0 401.894 3.959 50 0 HHAARM CC(C)C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC000064589688 569069054 /nfs/dbraw/zinc/06/90/54/569069054.db2.gz NWXCUOGVUAHLNA-UHFFFAOYSA-N -1 0 401.894 3.959 50 0 HHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2Br)c1Cl ZINC000089587173 569070758 /nfs/dbraw/zinc/07/07/58/569070758.db2.gz FUMZZOIKAXNZNJ-UHFFFAOYSA-N -1 0 404.669 3.910 50 0 HHAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c21 ZINC000006624164 569075495 /nfs/dbraw/zinc/07/54/95/569075495.db2.gz LQAGGMRIHPDTGX-INIZCTEOSA-N -1 0 413.470 3.931 50 0 biogenic HHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000064774861 569093401 /nfs/dbraw/zinc/09/34/01/569093401.db2.gz TWOKTILEJUKJMU-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM Cc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000006778371 569118829 /nfs/dbraw/zinc/11/88/29/569118829.db2.gz PEQQNMMCCVMEGU-UHFFFAOYSA-N -1 0 408.892 3.553 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001725479 569144950 /nfs/dbraw/zinc/14/49/50/569144950.db2.gz ZAPUUYNFQUEIBP-UHFFFAOYSA-N -1 0 417.508 3.872 50 0 HHAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(F)cc21 ZINC000036360190 569151337 /nfs/dbraw/zinc/15/13/37/569151337.db2.gz BFFGBOWMKVWSGO-HSZRJFAPSA-N -1 0 424.472 3.945 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc(OC)c1 ZINC000065008973 569153327 /nfs/dbraw/zinc/15/33/27/569153327.db2.gz TYQIDBKMMAOVIT-UHFFFAOYSA-N -1 0 407.517 3.583 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1 ZINC000065031237 569157379 /nfs/dbraw/zinc/15/73/79/569157379.db2.gz ZVYNZCJHPGXTRQ-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000006887831 569171409 /nfs/dbraw/zinc/17/14/09/569171409.db2.gz ZJIDRTSBTUTJKS-UHFFFAOYSA-N -1 0 416.455 3.539 50 0 HHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)c1 ZINC000065196281 569194548 /nfs/dbraw/zinc/19/45/48/569194548.db2.gz QRABXONIOJORSO-UHFFFAOYSA-N -1 0 404.557 3.851 50 0 HHAARM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2C1 ZINC000065196237 569194572 /nfs/dbraw/zinc/19/45/72/569194572.db2.gz RIKLUBZTZUHXOW-UHFFFAOYSA-N -1 0 414.911 3.636 50 0 HHAARM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592139 569240977 /nfs/dbraw/zinc/24/09/77/569240977.db2.gz JIZKAMZBWRZLAV-FQEVSTJZSA-N -1 0 421.428 3.625 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(Cl)c3)C2)c(OC)c1 ZINC000170612576 569246537 /nfs/dbraw/zinc/24/65/37/569246537.db2.gz ODMRTXLQISHVTQ-GOSISDBHSA-N -1 0 416.861 3.900 50 0 HHAARM O=C([O-])C1(CNC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCC3)CCCC1 ZINC000089780877 569264150 /nfs/dbraw/zinc/26/41/50/569264150.db2.gz RRXIVZAKNHOZOP-UHFFFAOYSA-N -1 0 421.419 3.755 50 0 HHAARM COc1ccccc1NC(=O)CCc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000016848386 569265453 /nfs/dbraw/zinc/26/54/53/569265453.db2.gz VMIGAJUZNBDROD-UHFFFAOYSA-N -1 0 417.512 3.524 50 0 HHAARM O=C([O-])c1csc(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1 ZINC000089807650 569266256 /nfs/dbraw/zinc/26/62/56/569266256.db2.gz YDSXMIJPNFCSMN-UHFFFAOYSA-N -1 0 401.412 3.777 50 0 HHAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2OC)cc1 ZINC000017056262 569272811 /nfs/dbraw/zinc/27/28/11/569272811.db2.gz BIDXGKKCLCIHJZ-OAHLLOKOSA-N -1 0 404.532 3.833 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1Cl ZINC000001058467 569277073 /nfs/dbraw/zinc/27/70/73/569277073.db2.gz MLIOJEWAHBLPMN-UHFFFAOYSA-N -1 0 420.874 3.672 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](CCCC)C(=O)[O-])ccc12 ZINC000002156511 569290380 /nfs/dbraw/zinc/29/03/80/569290380.db2.gz QFGAYCFKFXEBLG-CRAIPNDOSA-N -1 0 417.502 3.971 50 0 biogenic HHAARM COc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470706 569381086 /nfs/dbraw/zinc/38/10/86/569381086.db2.gz AISGMWORNUOCDF-KRWDZBQOSA-N -1 0 423.421 3.552 50 0 HHAARM CCOc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Cl)c1O ZINC000009053896 569391321 /nfs/dbraw/zinc/39/13/21/569391321.db2.gz UDPINHRVERRFPF-KPKJPENVSA-N -1 0 412.829 3.797 50 0 HHAARM COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000002396919 569394516 /nfs/dbraw/zinc/39/45/16/569394516.db2.gz IQCWNKSLDUSIFD-LKBVRNOZSA-N -1 0 415.423 3.551 50 0 HHAARM O=C([N-]c1ccc(F)cc1F)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012958167 569405341 /nfs/dbraw/zinc/40/53/41/569405341.db2.gz AVVVJRQEVCGIME-UHFFFAOYSA-N -1 0 415.830 3.555 50 0 HHAARM Cc1nc(-c2ccc(CNS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2)cs1 ZINC000013248882 569410324 /nfs/dbraw/zinc/41/03/24/569410324.db2.gz GUBQRAWGMSZRFW-UHFFFAOYSA-N -1 0 416.524 3.912 50 0 HHAARM O=C(CCn1ccc2c1cccc2Br)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238924075 571046515 /nfs/dbraw/zinc/04/65/15/571046515.db2.gz QTILUDNOMCAHMY-HDJSIYSDSA-N -1 0 407.308 3.801 50 0 HHAARM CCOCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2[n-]c1=S ZINC000334158860 571050402 /nfs/dbraw/zinc/05/04/02/571050402.db2.gz VBVOZXRIKNTSEU-HDMKZQKVSA-N -1 0 417.575 3.666 50 0 HHAARM CC[C@@H](C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008480162 571053759 /nfs/dbraw/zinc/05/37/59/571053759.db2.gz BOPYJAZVGBWPOQ-SJLPKXTDSA-N -1 0 418.534 3.571 50 0 HHAARM O=C(CSC1=NC(=O)C(C/C=C/c2ccccc2)C([O-])=N1)Nc1cccc(F)c1 ZINC000008606287 571092339 /nfs/dbraw/zinc/09/23/39/571092339.db2.gz XTXISQHVGXKCQH-XBXARRHUSA-N -1 0 411.458 3.601 50 0 HHAARM O=C([O-])c1ccc(-c2nc(O)c3c4ccccc4c(=O)n(Cc4ccccc4)n23)cc1 ZINC000008939170 571166375 /nfs/dbraw/zinc/16/63/75/571166375.db2.gz UXLNIILIZUQPNN-UHFFFAOYSA-N -1 0 411.417 3.768 50 0 HHAARM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000040140082 571191132 /nfs/dbraw/zinc/19/11/32/571191132.db2.gz MUPZVYXOYYFTLU-UHFFFAOYSA-N -1 0 424.526 3.972 50 0 HHAARM CCOC(=O)C1=C(C)N(c2ccc(CC(=O)[O-])cc2)C(=O)N[C@@H]1c1ccccc1F ZINC000040152337 571200126 /nfs/dbraw/zinc/20/01/26/571200126.db2.gz UEUUKECBXUWROR-HXUWFJFHSA-N -1 0 412.417 3.561 50 0 HHAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000009009291 571210051 /nfs/dbraw/zinc/21/00/51/571210051.db2.gz LGHMONXAAYXZFH-UHFFFAOYSA-N -1 0 406.895 3.532 50 0 HHAARM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)n1 ZINC000009572458 571269088 /nfs/dbraw/zinc/26/90/88/571269088.db2.gz VKEBAANSSXOFPV-UHFFFAOYSA-N -1 0 401.467 3.900 50 0 HHAARM CCOc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828714 571286958 /nfs/dbraw/zinc/28/69/58/571286958.db2.gz SMIUELOZAOIOBC-UHFFFAOYSA-N -1 0 417.512 3.524 50 0 HHAARM COC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000010009692 571294086 /nfs/dbraw/zinc/29/40/86/571294086.db2.gz ZBZHLFKAWMNPCO-UHFFFAOYSA-N -1 0 416.480 3.588 50 0 HHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1cccc2ncccc21 ZINC000013722426 571306595 /nfs/dbraw/zinc/30/65/95/571306595.db2.gz LJRAMOQSKIZRSK-UHFFFAOYSA-N -1 0 424.507 3.673 50 0 HHAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000005894436 960799059 /nfs/dbraw/zinc/79/90/59/960799059.db2.gz ZMXFTPHGXCCPGQ-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM O=C(NCc1ccccc1F)c1ccc2c(=O)n(Cc3ccco3)c(=S)[n-]c2c1 ZINC000006657391 960940956 /nfs/dbraw/zinc/94/09/56/960940956.db2.gz NTUMUVDTLYLBTI-UHFFFAOYSA-N -1 0 409.442 3.769 50 0 HHAARM Cc1ccc(-c2csc3ncn(N=Cc4ccc(OCC(=O)[O-])cc4)c(=O)c23)cc1 ZINC000254382925 970571052 /nfs/dbraw/zinc/57/10/52/970571052.db2.gz IMWPHKALSSYIKN-UHFFFAOYSA-N -1 0 419.462 3.779 50 0 HHAARM Cc1cccc(N2CCN(c3ccc(NC(=O)[C@@H]4CC=CC[C@H]4C(=O)[O-])cc3)CC2)c1 ZINC000000627079 132229213 /nfs/dbraw/zinc/22/92/13/132229213.db2.gz HQXNNJIISHPTSI-DHIUTWEWSA-N -1 0 419.525 3.927 50 0 HHAARM CSc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)c1 ZINC000006779713 132315871 /nfs/dbraw/zinc/31/58/71/132315871.db2.gz GTINMPVIJXZZRM-UHFFFAOYSA-N -1 0 412.920 3.608 50 0 HHAARM COC(=O)C1=C(C)N(c2cccc(C(=O)[O-])c2)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000007948395 132326408 /nfs/dbraw/zinc/32/64/08/132326408.db2.gz FDLUCGFEQPVMPI-KRWDZBQOSA-N -1 0 400.818 3.756 50 0 HHAARM O=C([O-])COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000008703997 132332236 /nfs/dbraw/zinc/33/22/36/132332236.db2.gz RYLQVXVASCJIAM-QFIPXVFZSA-N -1 0 418.405 3.650 50 0 HHAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)CC(C)C)c(C(=O)[O-])c3)CC2)cc1 ZINC000045967695 518353118 /nfs/dbraw/zinc/35/31/18/518353118.db2.gz DFEWDVSBXAZRRJ-UHFFFAOYSA-N -1 0 423.513 3.899 50 0 HHAARM CC(C)(C)c1ccc(-c2nnc(SCc3nc(=O)c4sccc4[n-]3)n2N)cc1 ZINC000032666533 519010966 /nfs/dbraw/zinc/01/09/66/519010966.db2.gz RMWQWJZSCYHQHA-UHFFFAOYSA-N -1 0 412.544 3.547 50 0 HHAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc21 ZINC000040450217 519630392 /nfs/dbraw/zinc/63/03/92/519630392.db2.gz QQLFBWSKSLRRNU-UHFFFAOYSA-N -1 0 423.332 3.776 50 0 HHAARM CCCN1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)c3cccc(c23)C1=O ZINC000041125268 519865377 /nfs/dbraw/zinc/86/53/77/519865377.db2.gz ALMGGRVJQGDVHH-UHFFFAOYSA-N -1 0 410.451 3.709 50 0 HHAARM COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000032095213 523250272 /nfs/dbraw/zinc/25/02/72/523250272.db2.gz JGJUNHBZLSALJY-QGZVFWFLSA-N -1 0 420.425 3.737 50 0 HHAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000020580757 523306515 /nfs/dbraw/zinc/30/65/15/523306515.db2.gz CBTNBHVVEJAOBI-UHFFFAOYSA-N -1 0 415.471 3.726 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1 ZINC000031891562 524648906 /nfs/dbraw/zinc/64/89/06/524648906.db2.gz MRHDOTOJVGHSFO-UHFFFAOYSA-N -1 0 424.478 3.683 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2cnn(COc3ccc(F)cc3Cl)c2)cc1 ZINC000032610650 525088936 /nfs/dbraw/zinc/08/89/36/525088936.db2.gz LYYALIVHQPLDKB-UHFFFAOYSA-N -1 0 411.842 3.522 50 0 HHAARM O=C([O-])[C@H](NC(=O)CCn1ccc2c1cccc2Br)c1ccccc1 ZINC000040310357 526308307 /nfs/dbraw/zinc/30/83/07/526308307.db2.gz OMHCYLGOEBVBDV-GOSISDBHSA-N -1 0 401.260 3.736 50 0 biogenic HHAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000004324564 534989274 /nfs/dbraw/zinc/98/92/74/534989274.db2.gz IBRWMHFNYZKSPW-UHFFFAOYSA-N -1 0 423.435 3.793 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000000631276 557026823 /nfs/dbraw/zinc/02/68/23/557026823.db2.gz XTACMHCGIJAXOA-UHFFFAOYSA-N -1 0 405.863 3.998 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000000652124 557039010 /nfs/dbraw/zinc/03/90/10/557039010.db2.gz ISRWWUNLTRKPCC-UHFFFAOYSA-N -1 0 416.890 3.800 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000000657530 557041882 /nfs/dbraw/zinc/04/18/82/557041882.db2.gz BENNFCUCAJUHSD-UHFFFAOYSA-N -1 0 422.441 3.822 50 0 HHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000000898192 557113711 /nfs/dbraw/zinc/11/37/11/557113711.db2.gz AXWOLXLXPNGBOH-UHFFFAOYSA-N -1 0 422.506 3.672 50 0 HHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)n1 ZINC000000917618 557117812 /nfs/dbraw/zinc/11/78/12/557117812.db2.gz PYSLSHYZMGMNRC-OAHLLOKOSA-N -1 0 410.499 3.718 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nc(C)n1 ZINC000000921141 557119263 /nfs/dbraw/zinc/11/92/63/557119263.db2.gz UXYZOIUVWARQHQ-UHFFFAOYSA-N -1 0 410.499 3.763 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)c1C ZINC000001021594 557144171 /nfs/dbraw/zinc/14/41/71/557144171.db2.gz NIPNNQPEQBIOHO-JXMROGBWSA-N -1 0 403.485 3.806 50 0 HHAARM O=S(=O)([N-]NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000001047310 557156984 /nfs/dbraw/zinc/15/69/84/557156984.db2.gz CZFWXIGVDJPSIU-UHFFFAOYSA-N -1 0 409.842 3.539 50 0 HHAARM COc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001119664 557189775 /nfs/dbraw/zinc/18/97/75/557189775.db2.gz XQPCXHXYUKPYMZ-UHFFFAOYSA-N -1 0 420.421 3.663 50 0 HHAARM CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000001156076 557213700 /nfs/dbraw/zinc/21/37/00/557213700.db2.gz ALOBHKZKIFYQSA-UBFBPUDLSA-N -1 0 409.441 3.956 50 0 HHAARM COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001212771 557244281 /nfs/dbraw/zinc/24/42/81/557244281.db2.gz SHHVSGFYPPMMQD-HMMYKYKNSA-N -1 0 416.433 3.803 50 0 biogenic HHAARM O=C([O-])[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000001432314 557262676 /nfs/dbraw/zinc/26/26/76/557262676.db2.gz SJPXJSANXSAHSU-GOSISDBHSA-N -1 0 413.426 3.699 50 0 HHAARM Cc1ccc2c(c1CCC(=O)[O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000001484651 557270210 /nfs/dbraw/zinc/27/02/10/557270210.db2.gz HWEOXFSBSQIWSY-INIZCTEOSA-N -1 0 407.919 3.501 50 0 HHAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccccc2)N1C(=S)Nc1ccc(Cl)cc1 ZINC000022628230 557271475 /nfs/dbraw/zinc/27/14/75/557271475.db2.gz DRMSYIXZHMSHRM-FUHWJXTLSA-N -1 0 412.902 3.861 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000002757079 557380357 /nfs/dbraw/zinc/38/03/57/557380357.db2.gz UPNCJAGKAHYGAH-YADHBBJMSA-N -1 0 404.510 3.587 50 0 HHAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1nc2ccccc2s1 ZINC000002875038 557416561 /nfs/dbraw/zinc/41/65/61/557416561.db2.gz CJAMUMMWKMJRPG-UHFFFAOYSA-N -1 0 424.507 3.587 50 0 HHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764962 557461620 /nfs/dbraw/zinc/46/16/20/557461620.db2.gz FTXZIBRBHJKLLK-MRXNPFEDSA-N -1 0 406.486 3.671 50 0 HHAARM CCCOc1cccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765244 557461893 /nfs/dbraw/zinc/46/18/93/557461893.db2.gz MNCKXPIUPTZXCK-MRXNPFEDSA-N -1 0 406.486 3.843 50 0 HHAARM Cc1cccc(CNC(=O)CCc2nnc(-c3ccc(C(F)(F)F)cc3)[n-]c2=O)c1 ZINC000034768157 557462976 /nfs/dbraw/zinc/46/29/76/557462976.db2.gz QZSOXUNTKSKKDA-UHFFFAOYSA-N -1 0 416.403 3.820 50 0 HHAARM CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-] ZINC000003792417 557498784 /nfs/dbraw/zinc/49/87/84/557498784.db2.gz PYNXFZCZUAOOQC-UTKZUKDTSA-N -1 0 411.498 3.835 50 0 fda HHAARM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000004411729 557552751 /nfs/dbraw/zinc/55/27/51/557552751.db2.gz KQDZPCWIFLSWTB-GOSISDBHSA-N -1 0 415.471 3.580 50 0 HHAARM O=C1N[C@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000004452602 557555841 /nfs/dbraw/zinc/55/58/41/557555841.db2.gz UUDKPQFCUQYSAV-KRWDZBQOSA-N -1 0 406.389 3.719 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3ccccc3C2)cc1 ZINC000004757013 557594598 /nfs/dbraw/zinc/59/45/98/557594598.db2.gz JOORXRSFIXZVFG-UHFFFAOYSA-N -1 0 406.507 3.994 50 0 HHAARM CCC[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000005104798 557636777 /nfs/dbraw/zinc/63/67/77/557636777.db2.gz IZKHTHXRBXJFPH-DYGKOUCMSA-N -1 0 414.889 3.789 50 0 HHAARM O=C([O-])CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006505310 557705873 /nfs/dbraw/zinc/70/58/73/557705873.db2.gz QBYXZHSYJVXKMA-UHFFFAOYSA-N -1 0 408.690 3.922 50 0 HHAARM O=C([O-])/C=C\C(=O)Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000008438888 557789380 /nfs/dbraw/zinc/78/93/80/557789380.db2.gz BERIQWPSVUXCII-FPLPWBNLSA-N -1 0 420.296 3.899 50 0 HHAARM O=C1N[C@H](c2c(F)cccc2Cl)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000008915363 557814255 /nfs/dbraw/zinc/81/42/55/557814255.db2.gz BFDBJKZLOJVEMP-ZOWXZIJZSA-N -1 0 422.787 3.645 50 0 HHAARM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851962 557839527 /nfs/dbraw/zinc/83/95/27/557839527.db2.gz OYAKVGXCTVVIBC-HNNXBMFYSA-N -1 0 416.890 3.831 50 0 HHAARM [O-]c1c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851964 557839562 /nfs/dbraw/zinc/83/95/62/557839562.db2.gz OYAKVGXCTVVIBC-OAHLLOKOSA-N -1 0 416.890 3.831 50 0 HHAARM CCc1nc2sc([C@H](c3ccco3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854596 557842006 /nfs/dbraw/zinc/84/20/06/557842006.db2.gz XXGOKTJCFNQMQN-SFHVURJKSA-N -1 0 409.515 3.563 50 0 HHAARM CCn1ccc(-c2cc(C(=O)[O-])n3nc4nc(C(F)(F)F)cc(C5CC5)c4c3n2)n1 ZINC000020615724 558392747 /nfs/dbraw/zinc/39/27/47/558392747.db2.gz VJPFVDSYKPSLDL-UHFFFAOYSA-N -1 0 416.363 3.755 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020744562 558409180 /nfs/dbraw/zinc/40/91/80/558409180.db2.gz WQFUSGIUMUFUQU-OAQYLSRUSA-N -1 0 408.454 3.669 50 0 HHAARM CCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004354633 558439994 /nfs/dbraw/zinc/43/99/94/558439994.db2.gz SQTSIUNTNHMYKZ-NDENLUEZSA-N -1 0 420.444 3.681 50 0 HHAARM CC(C)c1ccc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1 ZINC000013574235 558543077 /nfs/dbraw/zinc/54/30/77/558543077.db2.gz XVGDAKOMSHARJJ-JLMFCZBYSA-N -1 0 424.888 3.540 50 0 HHAARM CCOc1ccc(COc2cccc([C@H]3N[C@H](C(=O)[O-])CS3)c2)cc1OCC ZINC000013961501 558609258 /nfs/dbraw/zinc/60/92/58/558609258.db2.gz XRVAGDXCLQTBOR-PXNSSMCTSA-N -1 0 403.500 3.851 50 0 HHAARM O=C([O-])c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 ZINC000014009718 558613140 /nfs/dbraw/zinc/61/31/40/558613140.db2.gz BACDMNWGHOEOCU-WOJGMQOQSA-N -1 0 406.369 3.877 50 0 HHAARM C[C@](CC(=O)Nc1cccc(NC(=O)c2ccncc2)c1)(C(=O)[O-])c1ccccc1 ZINC000027057118 558669043 /nfs/dbraw/zinc/66/90/43/558669043.db2.gz NNZHPUIPZQFMMB-HSZRJFAPSA-N -1 0 403.438 3.705 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000028813623 558705000 /nfs/dbraw/zinc/70/50/00/558705000.db2.gz IUMOKGOAPYOPNC-UHFFFAOYSA-N -1 0 404.271 3.754 50 0 HHAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1cccc2ccccc21 ZINC000004556449 558726177 /nfs/dbraw/zinc/72/61/77/558726177.db2.gz BHKCSEDVWIUVCH-FXAWDEMLSA-N -1 0 409.463 3.856 50 0 HHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1CSc1nc2ccccc2o1 ZINC000004577205 558752033 /nfs/dbraw/zinc/75/20/33/558752033.db2.gz HHJMIFAGHMJTAL-WMLDXEAASA-N -1 0 402.497 3.917 50 0 HHAARM CCc1c([O-])nc(SCC(=O)Nc2c(C)cccc2C)n(-c2ccccc2)c1=O ZINC000015837511 558756161 /nfs/dbraw/zinc/75/61/61/558756161.db2.gz WIOFCPIXQZFSPL-UHFFFAOYSA-N -1 0 409.511 3.848 50 0 HHAARM C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000016122259 558772859 /nfs/dbraw/zinc/77/28/59/558772859.db2.gz QILGDVBYUVAHSX-ZIAGYGMSSA-N -1 0 414.574 3.501 50 0 HHAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016129094 558773149 /nfs/dbraw/zinc/77/31/49/558773149.db2.gz GSZONTUKMGEDPZ-UHFFFAOYSA-N -1 0 412.311 3.624 50 0 HHAARM COc1ccccc1Oc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000036293794 558798935 /nfs/dbraw/zinc/79/89/35/558798935.db2.gz XATZWHDKMQOVQQ-UHFFFAOYSA-N -1 0 405.472 3.553 50 0 HHAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081940 558813937 /nfs/dbraw/zinc/81/39/37/558813937.db2.gz QCQKJJPWRYUPBD-LSDHHAIUSA-N -1 0 400.500 3.960 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017088516 558817340 /nfs/dbraw/zinc/81/73/40/558817340.db2.gz HGKGBDROGUSSSG-CVEARBPZSA-N -1 0 410.495 3.913 50 0 HHAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000017089157 558817757 /nfs/dbraw/zinc/81/77/57/558817757.db2.gz NBCMBGKHRJMGEP-HOTGVXAUSA-N -1 0 412.467 3.809 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017090009 558818571 /nfs/dbraw/zinc/81/85/71/558818571.db2.gz IMIPKKPWGSZJMY-CQSZACIVSA-N -1 0 414.527 3.996 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000017090754 558819435 /nfs/dbraw/zinc/81/94/35/558819435.db2.gz ATMJZYCOALUMSX-GJZGRUSLSA-N -1 0 416.543 3.905 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094012 558822351 /nfs/dbraw/zinc/82/23/51/558822351.db2.gz NWDRGFDDZIYMNZ-HZPDHXFCSA-N -1 0 424.522 3.772 50 0 HHAARM Cc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000032999875 558826424 /nfs/dbraw/zinc/82/64/24/558826424.db2.gz FAOHDQFUOOACNA-UHFFFAOYSA-N -1 0 417.512 3.660 50 0 HHAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007346 558828066 /nfs/dbraw/zinc/82/80/66/558828066.db2.gz AZSMGGBSAAQGLG-HNNXBMFYSA-N -1 0 402.516 3.984 50 0 HHAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc1 ZINC000072312970 558838334 /nfs/dbraw/zinc/83/83/34/558838334.db2.gz FIIHDVSUFSJIGN-UHFFFAOYSA-N -1 0 411.439 3.641 50 0 HHAARM CCCCCNC(=O)CCCn1c(=O)c2cc(OCC)c(OCC)cc2[n-]c1=S ZINC000004657955 558872112 /nfs/dbraw/zinc/87/21/12/558872112.db2.gz BZMFNHZENWRTSO-UHFFFAOYSA-N -1 0 421.563 3.943 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)nc2)c(Cl)c1 ZINC000058159177 558904338 /nfs/dbraw/zinc/90/43/38/558904338.db2.gz CVLFRALNGDKAGF-UHFFFAOYSA-N -1 0 417.874 3.735 50 0 HHAARM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]c3ccccc3C(C)=O)cc2c1C ZINC000058245580 558914462 /nfs/dbraw/zinc/91/44/62/558914462.db2.gz FYCUCBJMDIUKDW-UHFFFAOYSA-N -1 0 418.496 3.785 50 0 HHAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000033253920 558921945 /nfs/dbraw/zinc/92/19/45/558921945.db2.gz BXYCJIXOARYJOG-UHFFFAOYSA-N -1 0 406.504 3.821 50 0 HHAARM O=C1N(C2CCCCC2)C(c2ccccc2)=N[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000064370011 558962855 /nfs/dbraw/zinc/96/28/55/558962855.db2.gz IQMJCNQRAJWRLN-LJQANCHMSA-N -1 0 403.408 3.769 50 0 HHAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000033307971 559052221 /nfs/dbraw/zinc/05/22/21/559052221.db2.gz LYGJTABYJNKYSL-UHFFFAOYSA-N -1 0 423.473 3.886 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)nc(C)n1 ZINC000005259464 559163532 /nfs/dbraw/zinc/16/35/32/559163532.db2.gz DMOHRMLGADHLJF-MDWZMJQESA-N -1 0 408.483 3.546 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3ccc(C)cc3)cs2)cc1 ZINC000011693244 559187505 /nfs/dbraw/zinc/18/75/05/559187505.db2.gz ZXIMOFLWEXWNMX-UHFFFAOYSA-N -1 0 403.485 3.513 50 0 HHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CC(C)C)s2)c1=O ZINC000100512714 559214738 /nfs/dbraw/zinc/21/47/38/559214738.db2.gz VUJYMCFOOMRFBC-UHFFFAOYSA-N -1 0 400.504 3.810 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866798 559264369 /nfs/dbraw/zinc/26/43/69/559264369.db2.gz DJTNPIMWQHAAEA-AFBRZQFHSA-N -1 0 417.502 3.827 50 0 HHAARM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)n[nH]1 ZINC000079103093 560541229 /nfs/dbraw/zinc/54/12/29/560541229.db2.gz ZYMGSZJWMWZHFN-UHFFFAOYSA-N -1 0 409.471 3.556 50 0 HHAARM COc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OC(F)F ZINC000095950348 560558657 /nfs/dbraw/zinc/55/86/57/560558657.db2.gz ZHBHNVPZYJJMEZ-WQLSENKSSA-N -1 0 414.364 3.649 50 0 HHAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000005390725 560581964 /nfs/dbraw/zinc/58/19/64/560581964.db2.gz BOPYJAZVGBWPOQ-AEFFLSMTSA-N -1 0 418.534 3.571 50 0 HHAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3OC)c2)nn1 ZINC000017286377 560705668 /nfs/dbraw/zinc/70/56/68/560705668.db2.gz SDOYFELVBSTWDF-UHFFFAOYSA-N -1 0 417.462 3.881 50 0 HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000101260504 560789754 /nfs/dbraw/zinc/78/97/54/560789754.db2.gz MTUIJAMFYCPSIU-IRXDYDNUSA-N -1 0 413.275 3.818 50 0 HHAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 ZINC000101298379 560791163 /nfs/dbraw/zinc/79/11/63/560791163.db2.gz MQQYTTHVHCCLJB-HXUWFJFHSA-N -1 0 418.453 3.744 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cc(F)cc(F)c3)c([O-])c3cccnc32)c1 ZINC000101722187 560798723 /nfs/dbraw/zinc/79/87/23/560798723.db2.gz ZCCYTQXOTUFHPJ-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM Cc1ccc(F)cc1NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722780 560799029 /nfs/dbraw/zinc/79/90/29/560799029.db2.gz AAWLLYUGURJTGE-UHFFFAOYSA-N -1 0 403.413 3.850 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1F ZINC000101723046 560799163 /nfs/dbraw/zinc/79/91/63/560799163.db2.gz KJVBHVMHTPAUKF-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(C)c3)c([O-])c3cccnc32)cc1 ZINC000101723361 560799221 /nfs/dbraw/zinc/79/92/21/560799221.db2.gz BDZMFFBADXIPSL-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM Cn1c(=O)c(-c2nc(-c3ccc(F)c(Br)c3)no2)c([O-])c2ccccc21 ZINC000101725593 560800008 /nfs/dbraw/zinc/80/00/08/560800008.db2.gz SXSXDCUCFIWPIM-UHFFFAOYSA-N -1 0 416.206 3.863 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@@H](c2cccc(Cl)c2)C1 ZINC000101835527 560803283 /nfs/dbraw/zinc/80/32/83/560803283.db2.gz FPRUKFNCAJOUGU-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2cccs2)C1 ZINC000101835702 560803354 /nfs/dbraw/zinc/80/33/54/560803354.db2.gz APBVONMYHWCHSI-AWEZNQCLSA-N -1 0 400.847 3.834 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(Cl)cc1 ZINC000101836247 560803557 /nfs/dbraw/zinc/80/35/57/560803557.db2.gz MRHLAMNBMKCLBI-KRWDZBQOSA-N -1 0 424.844 3.781 50 0 HHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000101983647 560806241 /nfs/dbraw/zinc/80/62/41/560806241.db2.gz DQNDHWLAGUMRRD-CQSZACIVSA-N -1 0 418.478 3.852 50 0 HHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)cc1C ZINC000102901275 560834947 /nfs/dbraw/zinc/83/49/47/560834947.db2.gz GIELAGJCIDFKOF-LJQANCHMSA-N -1 0 406.417 3.875 50 0 HHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(Br)cc1F)CC3 ZINC000014136176 560838808 /nfs/dbraw/zinc/83/88/08/560838808.db2.gz QRXDFONYFLWOLB-XFFZJAGNSA-N -1 0 415.218 3.941 50 0 HHAARM CCc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)[N-]C(=O)C(F)(F)F)cc1 ZINC000005717294 560842464 /nfs/dbraw/zinc/84/24/64/560842464.db2.gz CHWZAKRTENTIIM-HNNXBMFYSA-N -1 0 408.376 3.726 50 0 HHAARM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)nc(C)n1 ZINC000012226240 560894978 /nfs/dbraw/zinc/89/49/78/560894978.db2.gz UIJUIBMSOGLOMJ-UHFFFAOYSA-N -1 0 406.414 3.616 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000046053625 568425361 /nfs/dbraw/zinc/42/53/61/568425361.db2.gz JJUYMTPFIWHTRP-UHFFFAOYSA-N -1 0 420.513 3.975 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1 ZINC000046053389 568425391 /nfs/dbraw/zinc/42/53/91/568425391.db2.gz ALYQQKBMULMLRQ-UHFFFAOYSA-N -1 0 410.470 3.725 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053626 568425394 /nfs/dbraw/zinc/42/53/94/568425394.db2.gz IHDYCAPKQBZLSQ-UHFFFAOYSA-N -1 0 420.513 3.975 50 0 HHAARM O=C(NCCc1ccccc1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409610 568449706 /nfs/dbraw/zinc/44/97/06/568449706.db2.gz AZIDNVRJPPDAJT-UHFFFAOYSA-N -1 0 404.491 3.789 50 0 HHAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000005684007 568453700 /nfs/dbraw/zinc/45/37/00/568453700.db2.gz CJXOAGXWEGLPEC-UHFFFAOYSA-N -1 0 402.472 3.771 50 0 HHAARM COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000657823 568459672 /nfs/dbraw/zinc/45/96/72/568459672.db2.gz OSMCMVUCBQXDRB-RCCKNPSSSA-N -1 0 416.433 3.803 50 0 HHAARM O=C([O-])[C@@H](CNC(=O)c1ccccc1Cn1cccn1)Cc1ccc2ccccc2c1 ZINC000095463928 568622361 /nfs/dbraw/zinc/62/23/61/568622361.db2.gz XEKHCWHAIXFKEN-JOCHJYFZSA-N -1 0 413.477 3.758 50 0 HHAARM O=C(CCc1ccc(Cl)cc1Cl)N[C@@H](c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000225584237 568654447 /nfs/dbraw/zinc/65/44/47/568654447.db2.gz HVXBLIXOXAUDHJ-MRXNPFEDSA-N -1 0 412.227 3.623 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)n1C ZINC000020989981 568655609 /nfs/dbraw/zinc/65/56/09/568655609.db2.gz XFPXJKFUABQYQP-UHFFFAOYSA-N -1 0 403.548 3.767 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)n1C ZINC000021030321 568659343 /nfs/dbraw/zinc/65/93/43/568659343.db2.gz VHWPHCIQJHRDFR-UHFFFAOYSA-N -1 0 417.575 3.932 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)n1C ZINC000021030374 568659374 /nfs/dbraw/zinc/65/93/74/568659374.db2.gz MIYNTMGLFCWFBX-UHFFFAOYSA-N -1 0 417.575 3.932 50 0 HHAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccccc1C(F)(F)F ZINC000021117344 568669353 /nfs/dbraw/zinc/66/93/53/568669353.db2.gz KLEXARHAFNKTFY-UHFFFAOYSA-N -1 0 415.418 3.548 50 0 HHAARM CCOC(=O)c1cc(C)cc(Br)c1[N-]S(=O)(=O)c1cccs1 ZINC000095960861 568670105 /nfs/dbraw/zinc/67/01/05/568670105.db2.gz DFBKXPGQDZZIAP-UHFFFAOYSA-N -1 0 404.307 3.797 50 0 HHAARM Cn1cc(-c2nc(C(=O)Nc3cccc(CSCCC(=O)[O-])c3)cs2)cn1 ZINC000095970660 568671536 /nfs/dbraw/zinc/67/15/36/568671536.db2.gz HZVSUWFZWRIINN-UHFFFAOYSA-N -1 0 402.501 3.504 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)n1C ZINC000021154183 568673111 /nfs/dbraw/zinc/67/31/11/568673111.db2.gz QSBITSWUZBORDP-UHFFFAOYSA-N -1 0 407.511 3.516 50 0 HHAARM COc1cc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1SCC(=O)[O-] ZINC000096314563 568673677 /nfs/dbraw/zinc/67/36/77/568673677.db2.gz FWANKBDGFYFHMY-ALCCZGGFSA-N -1 0 418.467 3.794 50 0 HHAARM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000225855969 568681044 /nfs/dbraw/zinc/68/10/44/568681044.db2.gz JJVUXGHXBREIMD-UHFFFAOYSA-N -1 0 422.236 3.983 50 0 HHAARM COc1ccc(Cn2c(=O)cc3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2C)cc1 ZINC000012389357 568691328 /nfs/dbraw/zinc/69/13/28/568691328.db2.gz KZABBMUHNRFHGR-UHFFFAOYSA-N -1 0 418.478 3.819 50 0 HHAARM CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118181 568697943 /nfs/dbraw/zinc/69/79/43/568697943.db2.gz NCUWQEGFHQDSOK-GDBMZVCRSA-N -1 0 401.488 3.891 50 0 HHAARM Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]1c1ccncc1 ZINC000238950269 568727289 /nfs/dbraw/zinc/72/72/89/568727289.db2.gz XJZAFMJCRHXMSW-HBMCJLEFSA-N -1 0 403.413 3.580 50 0 HHAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(C)cc1F ZINC000096361016 568738749 /nfs/dbraw/zinc/73/87/49/568738749.db2.gz MDZAXPRZTFSZHB-UHFFFAOYSA-N -1 0 402.451 3.527 50 0 HHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)c1 ZINC000096379647 568741245 /nfs/dbraw/zinc/74/12/45/568741245.db2.gz SKVCVPFGADVIDR-UHFFFAOYSA-N -1 0 400.460 3.562 50 0 HHAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(C)o2)n[nH]1 ZINC000096386737 568743348 /nfs/dbraw/zinc/74/33/48/568743348.db2.gz XPDZTEYAGOYLAQ-UHFFFAOYSA-N -1 0 401.366 3.986 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 ZINC000000915940 568750420 /nfs/dbraw/zinc/75/04/20/568750420.db2.gz LVFLAQWNCZHCGE-UXHICEINSA-N -1 0 418.449 3.873 50 0 HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000000944842 568754377 /nfs/dbraw/zinc/75/43/77/568754377.db2.gz QFXPTYLQQOGKNS-UHFFFAOYSA-N -1 0 416.528 3.770 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)n1 ZINC000000945098 568754501 /nfs/dbraw/zinc/75/45/01/568754501.db2.gz GMJXPDIHBNUNJW-UHFFFAOYSA-N -1 0 422.919 3.861 50 0 HHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000021882676 568757848 /nfs/dbraw/zinc/75/78/48/568757848.db2.gz OEXAULPLVWFRSK-CYBMUJFWSA-N -1 0 423.498 3.630 50 0 HHAARM COC(=O)c1ccc(CSc2nnc(-c3cc(C)ccc3NC(C)=O)c(=O)[n-]2)cc1 ZINC000021882645 568757861 /nfs/dbraw/zinc/75/78/61/568757861.db2.gz UPJRECNEGSZQGK-UHFFFAOYSA-N -1 0 424.482 3.590 50 0 HHAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000096909120 568765012 /nfs/dbraw/zinc/76/50/12/568765012.db2.gz RHCPKKNRWFXMAT-OOILFEONSA-N -1 0 406.563 3.657 50 0 HHAARM O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccco1 ZINC000001095257 568769502 /nfs/dbraw/zinc/76/95/02/568769502.db2.gz XAJVDBGDAIBATR-UHFFFAOYSA-N -1 0 420.082 3.637 50 0 HHAARM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022609304 568771691 /nfs/dbraw/zinc/77/16/91/568771691.db2.gz AMAUOCFOYSGVFB-LJQANCHMSA-N -1 0 423.517 3.856 50 0 HHAARM [O-]c1c([C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022609197 568771746 /nfs/dbraw/zinc/77/17/46/568771746.db2.gz JQZCEUXHGHWPOA-SFHVURJKSA-N -1 0 409.490 3.547 50 0 HHAARM CC(C)CCNC(=O)c1cc(C(=O)c2cc(F)ccc2[O-])cn(CCC(C)C)c1=O ZINC000002647117 568795364 /nfs/dbraw/zinc/79/53/64/568795364.db2.gz WOZKGPLALVPQRJ-UHFFFAOYSA-N -1 0 416.493 3.746 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)[O-])o3)c2C)cc1 ZINC000226353393 568806857 /nfs/dbraw/zinc/80/68/57/568806857.db2.gz DPPFDTMQZLZNCH-UHFFFAOYSA-N -1 0 414.439 3.712 50 0 HHAARM COc1ccc2c([O-])c(Oc3ccc(I)cc3)c(=O)oc2c1 ZINC000005960400 568832490 /nfs/dbraw/zinc/83/24/90/568832490.db2.gz CJVWOJZSTHPYME-UHFFFAOYSA-N -1 0 410.163 3.904 50 0 biogenic HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccs2)c1 ZINC000012536318 568845862 /nfs/dbraw/zinc/84/58/62/568845862.db2.gz OETGXGRLTJGZRN-UHFFFAOYSA-N -1 0 416.524 3.830 50 0 HHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc3ccccc3c2)cc1OC ZINC000003622919 568864360 /nfs/dbraw/zinc/86/43/60/568864360.db2.gz SZQXQHPFXQKHLB-FQEVSTJZSA-N -1 0 423.465 3.958 50 0 HHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)ccc1F ZINC000012585018 568866180 /nfs/dbraw/zinc/86/61/80/568866180.db2.gz YUEHFBQFYOYVAH-UHFFFAOYSA-N -1 0 421.475 3.535 50 0 HHAARM CC(=O)c1ccc(NC(=O)CSc2ncc(C(=O)[O-])n2-c2ccc(F)cc2)cc1 ZINC000003325225 568881148 /nfs/dbraw/zinc/88/11/48/568881148.db2.gz QQMKOJZDEXOWGJ-UHFFFAOYSA-N -1 0 413.430 3.643 50 0 HHAARM C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000001271099 568909738 /nfs/dbraw/zinc/90/97/38/568909738.db2.gz BMGPUVPHABQBAF-QGZVFWFLSA-N -1 0 409.467 3.531 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)(C)C)ccc2OC)cc1 ZINC000012740184 568927024 /nfs/dbraw/zinc/92/70/24/568927024.db2.gz IAZKLRWOATZAHJ-UHFFFAOYSA-N -1 0 406.504 3.879 50 0 HHAARM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ncc(-c2ccco2)s1 ZINC000001414967 568933815 /nfs/dbraw/zinc/93/38/15/568933815.db2.gz XUQYGPLAZOPCCS-UHFFFAOYSA-N -1 0 417.390 3.932 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000012770635 568951455 /nfs/dbraw/zinc/95/14/55/568951455.db2.gz PZJZOYVYALRYAP-UHFFFAOYSA-N -1 0 416.499 3.887 50 0 HHAARM COc1ccc(CN(C(=O)CSCCC(=O)[O-])[C@@H](C)Cc2cccs2)cc1 ZINC000012779008 568956514 /nfs/dbraw/zinc/95/65/14/568956514.db2.gz KNYALBTYHFIEBQ-HNNXBMFYSA-N -1 0 407.557 3.924 50 0 HHAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCCC2)cc1 ZINC000008162716 568979312 /nfs/dbraw/zinc/97/93/12/568979312.db2.gz XPWWYWJOHHYLKN-UHFFFAOYSA-N -1 0 421.950 3.881 50 0 HHAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@H](C)C(=O)[O-])c(C)c4cc32)cc1 ZINC000006088165 568998629 /nfs/dbraw/zinc/99/86/29/568998629.db2.gz TVPMVMKMEIGGDH-CQSZACIVSA-N -1 0 419.433 3.955 50 0 HHAARM O=C([O-])C[C@@H]1Sc2nnc(COc3ccc(Cl)cc3)n2N=C1c1ccccc1 ZINC000008394144 568998831 /nfs/dbraw/zinc/99/88/31/568998831.db2.gz UPQVDRMVPYQRAQ-HNNXBMFYSA-N -1 0 414.874 3.712 50 0 HHAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000006116489 569005021 /nfs/dbraw/zinc/00/50/21/569005021.db2.gz PTAIOKLOMSETNJ-HZPDHXFCSA-N -1 0 421.885 3.588 50 0 HHAARM O=C(Nc1cccc(C(F)(F)F)c1)c1cnc([N-]S(=O)(=O)c2ccccc2)nc1 ZINC000006270619 569009390 /nfs/dbraw/zinc/00/93/90/569009390.db2.gz VXGCGAFNFTUPKZ-UHFFFAOYSA-N -1 0 422.388 3.549 50 0 HHAARM CC(=O)c1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000015864783 569016624 /nfs/dbraw/zinc/01/66/24/569016624.db2.gz UJYYXPTXCJEQIO-UHFFFAOYSA-N -1 0 423.494 3.954 50 0 HHAARM Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccsc2C(=O)[O-])cs1 ZINC000012916219 569022592 /nfs/dbraw/zinc/02/25/92/569022592.db2.gz WBJXUAXOZSOCQG-UHFFFAOYSA-N -1 0 406.510 3.630 50 0 HHAARM CCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(C3CCCCC3)cc1)c2=O ZINC000015942103 569024211 /nfs/dbraw/zinc/02/42/11/569024211.db2.gz LOATZOJWSNRBQN-UHFFFAOYSA-N -1 0 415.519 3.549 50 0 HHAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000035397443 569034874 /nfs/dbraw/zinc/03/48/74/569034874.db2.gz CCCUEFUNQLENIO-UHFFFAOYSA-N -1 0 417.531 3.886 50 0 HHAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1)N1CCCC1 ZINC000035405107 569035787 /nfs/dbraw/zinc/03/57/87/569035787.db2.gz JLUKOAFDVPAQFE-UHFFFAOYSA-N -1 0 404.435 3.804 50 0 HHAARM COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000035511719 569043120 /nfs/dbraw/zinc/04/31/20/569043120.db2.gz CNCOYWNYXMXLTC-UHFFFAOYSA-N -1 0 423.450 3.919 50 0 HHAARM O=C(Nc1cccnc1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)o1 ZINC000035597472 569045725 /nfs/dbraw/zinc/04/57/25/569045725.db2.gz PWAJAJBEXQEDNC-UHFFFAOYSA-N -1 0 411.361 3.747 50 0 HHAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000035618526 569046455 /nfs/dbraw/zinc/04/64/55/569046455.db2.gz MLQBKKDOVITPQI-FGZHOGPDSA-N -1 0 417.417 3.994 50 0 HHAARM COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000239254601 569054068 /nfs/dbraw/zinc/05/40/68/569054068.db2.gz YLZTWNDSCCJXGQ-ZOWXZIJZSA-N -1 0 402.274 3.605 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588759 569068930 /nfs/dbraw/zinc/06/89/30/569068930.db2.gz SXGRJADWVFVJKX-HNNXBMFYSA-N -1 0 414.433 3.556 50 0 HHAARM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)n1 ZINC000064801756 569097937 /nfs/dbraw/zinc/09/79/37/569097937.db2.gz RVNINFVCYRLVHD-UHFFFAOYSA-N -1 0 401.467 3.900 50 0 HHAARM O=C([O-])c1ccc(N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000006831340 569147537 /nfs/dbraw/zinc/14/75/37/569147537.db2.gz ZJVYJNNVNPRCCY-HXUWFJFHSA-N -1 0 402.406 3.921 50 0 HHAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000006887696 569171178 /nfs/dbraw/zinc/17/11/78/569171178.db2.gz KYPDCJAPSNPDCU-UHFFFAOYSA-N -1 0 400.456 3.970 50 0 HHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000065115977 569179659 /nfs/dbraw/zinc/17/96/59/569179659.db2.gz IBCUXAICDTWYSK-UHFFFAOYSA-N -1 0 415.471 3.726 50 0 HHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000065116238 569179675 /nfs/dbraw/zinc/17/96/75/569179675.db2.gz JKMMWCHOOAZZEZ-UHFFFAOYSA-N -1 0 415.471 3.672 50 0 HHAARM COc1cc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCCC4)cc(OC)c1 ZINC000065150567 569184968 /nfs/dbraw/zinc/18/49/68/569184968.db2.gz ZISVRRUCOYKSNR-UHFFFAOYSA-N -1 0 414.483 3.834 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935340 569186076 /nfs/dbraw/zinc/18/60/76/569186076.db2.gz SRLZEYYOCYHDBG-AWEZNQCLSA-N -1 0 400.500 3.574 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)n2C)o1 ZINC000065186519 569192054 /nfs/dbraw/zinc/19/20/54/569192054.db2.gz CZWHOQBESZCYPB-UHFFFAOYSA-N -1 0 412.874 3.848 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc1F ZINC000065246483 569205509 /nfs/dbraw/zinc/20/55/09/569205509.db2.gz ZNCXUQQAWDQLCQ-UHFFFAOYSA-N -1 0 407.423 3.936 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)c(OC)c1 ZINC000065246484 569205581 /nfs/dbraw/zinc/20/55/81/569205581.db2.gz GTPJOYLXPWKCKC-UHFFFAOYSA-N -1 0 419.459 3.805 50 0 HHAARM COCCCn1c2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617197 569208084 /nfs/dbraw/zinc/20/80/84/569208084.db2.gz UVXLOAXDRCGTBK-UHFFFAOYSA-N -1 0 405.863 3.509 50 0 HHAARM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000007054518 569214305 /nfs/dbraw/zinc/21/43/05/569214305.db2.gz AYAHAVOIURRFOL-UHFFFAOYSA-N -1 0 416.952 3.561 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000007056582 569214555 /nfs/dbraw/zinc/21/45/55/569214555.db2.gz COFHIUXLAXXXTK-UHFFFAOYSA-N -1 0 400.300 3.929 50 0 HHAARM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCC(=O)[O-])c(Cl)c3)cc2)n1 ZINC000170592133 569240971 /nfs/dbraw/zinc/24/09/71/569240971.db2.gz CJAPOAKRYZGSMO-UHFFFAOYSA-N -1 0 413.861 3.917 50 0 HHAARM O=S(=O)([N-]c1nnc(-c2ccc3c(c2)OCO3)o1)c1c(Cl)cccc1Cl ZINC000170609128 569244896 /nfs/dbraw/zinc/24/48/96/569244896.db2.gz GEXVDDZDEGWLJJ-UHFFFAOYSA-N -1 0 414.226 3.573 50 0 HHAARM CCn1nc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c2cc3ccc(C)cc3nc21 ZINC000017015706 569271738 /nfs/dbraw/zinc/27/17/38/569271738.db2.gz RUQWUWOGVFFKNG-UHFFFAOYSA-N -1 0 408.483 3.916 50 0 HHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1C ZINC000002148534 569289794 /nfs/dbraw/zinc/28/97/94/569289794.db2.gz ULHYGMZXQGMTIZ-JOCHJYFZSA-N -1 0 419.433 3.949 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](CCCC)C(=O)[O-])ccc12 ZINC000002156509 569290376 /nfs/dbraw/zinc/29/03/76/569290376.db2.gz QFGAYCFKFXEBLG-MAUKXSAKSA-N -1 0 417.502 3.971 50 0 biogenic HHAARM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)o1 ZINC000170672718 569297853 /nfs/dbraw/zinc/29/78/53/569297853.db2.gz VRCWFFKZJGIMTG-YWZLYKJASA-N -1 0 424.497 3.911 50 0 HHAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000007728400 569303691 /nfs/dbraw/zinc/30/36/91/569303691.db2.gz FBBIAIMDVSBBDU-SFHVURJKSA-N -1 0 410.495 3.549 50 0 HHAARM COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000027528051 569364130 /nfs/dbraw/zinc/36/41/30/569364130.db2.gz UEJSEOUNGLSOKD-UHFFFAOYSA-N -1 0 419.412 3.604 50 0 HHAARM COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cc2c(cc1O)OCO2 ZINC000253398009 569365262 /nfs/dbraw/zinc/36/52/62/569365262.db2.gz BUZGTNQPAJYLJK-HNNXBMFYSA-N -1 0 410.378 3.774 50 0 biogenic HHAARM Cc1nc(-c2ccc(S(=O)(=O)N3CCc4cccc(C(=O)[O-])c43)s2)cs1 ZINC000253397905 569365267 /nfs/dbraw/zinc/36/52/67/569365267.db2.gz GZHVSUCWIAHOHE-UHFFFAOYSA-N -1 0 406.510 3.630 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccc(F)cc1F)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000002306315 569372518 /nfs/dbraw/zinc/37/25/18/569372518.db2.gz YDARRRHOODDGAW-KRWDZBQOSA-N -1 0 420.309 3.768 50 0 HHAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002426202 569398603 /nfs/dbraw/zinc/39/86/03/569398603.db2.gz UXBYXUNMWXRYES-KBXCAEBGSA-N -1 0 415.486 3.507 50 0 HHAARM CCOc1ccccc1NC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348716 569411028 /nfs/dbraw/zinc/41/10/28/569411028.db2.gz VCSBDIFDEZNPCP-UHFFFAOYSA-N -1 0 406.489 3.711 50 0 HHAARM CC[C@H](C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008481401 571055253 /nfs/dbraw/zinc/05/52/53/571055253.db2.gz BOPYJAZVGBWPOQ-FUHWJXTLSA-N -1 0 418.534 3.571 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c1 ZINC000008608293 571093097 /nfs/dbraw/zinc/09/30/97/571093097.db2.gz SGIFRHLSYPSQQJ-UHFFFAOYSA-N -1 0 416.455 3.636 50 0 HHAARM O=C([O-])Cc1sc(Cc2nnc3n2CCCCC3)nc1-c1ccc(Cl)cc1 ZINC000008718154 571105796 /nfs/dbraw/zinc/10/57/96/571105796.db2.gz OSWDQZHWWIZUEH-UHFFFAOYSA-N -1 0 402.907 3.999 50 0 HHAARM CCCCc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)s1 ZINC000040145336 571195487 /nfs/dbraw/zinc/19/54/87/571195487.db2.gz UFYAYRZSDVSYDO-UHFFFAOYSA-N -1 0 422.557 3.995 50 0 HHAARM COc1ccc(CN2CNc3c(c(=O)[n-]c(=S)n3-c3cccc(Cl)c3)C2)cc1 ZINC000008974920 571197855 /nfs/dbraw/zinc/19/78/55/571197855.db2.gz YOWJHBBNMZTZHJ-UHFFFAOYSA-N -1 0 414.918 3.568 50 0 HHAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1C(=O)N1CCCC1 ZINC000040156793 571203642 /nfs/dbraw/zinc/20/36/42/571203642.db2.gz XBVKZPOQBUTVML-UHFFFAOYSA-N -1 0 423.332 3.794 50 0 HHAARM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000040157189 571203897 /nfs/dbraw/zinc/20/38/97/571203897.db2.gz YBXFAIVTKWIBJX-UHFFFAOYSA-N -1 0 412.511 3.800 50 0 HHAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1OC ZINC000040158013 571204633 /nfs/dbraw/zinc/20/46/33/571204633.db2.gz XMXREPHIBOHXIS-UHFFFAOYSA-N -1 0 406.435 3.916 50 0 HHAARM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000008993801 571207987 /nfs/dbraw/zinc/20/79/87/571207987.db2.gz ZXVAJERGMFEIBF-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009170142 571233698 /nfs/dbraw/zinc/23/36/98/571233698.db2.gz ZJDFWZGWHCDDIP-UHFFFAOYSA-N -1 0 418.515 3.576 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)on1 ZINC000009688874 571280135 /nfs/dbraw/zinc/28/01/35/571280135.db2.gz FKFCGCMTOQPACZ-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)on1 ZINC000009688851 571280236 /nfs/dbraw/zinc/28/02/36/571280236.db2.gz YGECVILLKXOXAI-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)on1 ZINC000009688859 571280250 /nfs/dbraw/zinc/28/02/50/571280250.db2.gz YTWVLNSYGLHIQZ-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM O=S(=O)([N-]CC1CCN(c2nc3ccccc3s2)CC1)c1c(F)cccc1F ZINC000070923600 571281990 /nfs/dbraw/zinc/28/19/90/571281990.db2.gz RANUOEXGWKFSOQ-UHFFFAOYSA-N -1 0 423.510 3.769 50 0 HHAARM Cc1cccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)c1C ZINC000009761960 571284531 /nfs/dbraw/zinc/28/45/31/571284531.db2.gz AWBXRGHATISCEG-UHFFFAOYSA-N -1 0 409.920 3.799 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NC3CCCCCC3)cs2)cc1 ZINC000009828565 571286858 /nfs/dbraw/zinc/28/68/58/571286858.db2.gz GDLMWAIERARQPJ-UHFFFAOYSA-N -1 0 407.561 3.634 50 0 HHAARM Cc1ccc(C[C@H](CC(=O)Nc2ccccc2I)C(=O)[O-])cc1 ZINC000071405171 571293835 /nfs/dbraw/zinc/29/38/35/571293835.db2.gz OMGXEVYNGFUIBD-CQSZACIVSA-N -1 0 423.250 3.872 50 0 HHAARM Cc1cc(S(=O)(=O)N2CCCc3cc(Br)ccc32)sc1C(=O)[O-] ZINC000071818275 571302097 /nfs/dbraw/zinc/30/20/97/571302097.db2.gz ROWURZZFRLXCLH-UHFFFAOYSA-N -1 0 416.318 3.659 50 0 HHAARM O=S(=O)([N-]c1ccccn1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000064473369 571308158 /nfs/dbraw/zinc/30/81/58/571308158.db2.gz NWJLIOFIWAMCAL-UHFFFAOYSA-N -1 0 412.858 4.253 50 0 HHAARM CCc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000022735379 571309927 /nfs/dbraw/zinc/30/99/27/571309927.db2.gz IMZULQPLHPTGGT-UHFFFAOYSA-N -1 0 415.540 3.996 50 0 HHAARM C=CCCN1C(=O)NC(=Cc2c(Cc3cccs3)[n-]n(-c3ccccc3)c2=O)C1=O ZINC000016534198 571313758 /nfs/dbraw/zinc/31/37/58/571313758.db2.gz XDSVGSFVGUFJHH-RGEXLXHISA-N -1 0 420.494 3.699 50 0 HHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cc(Br)cs1)CC3 ZINC000105743821 969261184 /nfs/dbraw/zinc/26/11/84/969261184.db2.gz RXJFEFIAMBXRSQ-UITAMQMPSA-N -1 0 403.257 3.863 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2 ZINC000006779544 132315603 /nfs/dbraw/zinc/31/56/03/132315603.db2.gz NWQBOKYTPFYROP-CYBMUJFWSA-N -1 0 406.529 3.733 50 0 HHAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc21 ZINC000040454603 519630633 /nfs/dbraw/zinc/63/06/33/519630633.db2.gz CJNMWAQIENRZLF-UHFFFAOYSA-N -1 0 423.332 3.776 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000253483615 521260758 /nfs/dbraw/zinc/26/07/58/521260758.db2.gz DJTNPIMWQHAAEA-WAWZGNHOSA-N -1 0 417.502 3.827 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCS3)cc1Cl ZINC000032943662 522813889 /nfs/dbraw/zinc/81/38/89/522813889.db2.gz NNYLNBSVKSTLCV-UHFFFAOYSA-N -1 0 414.936 3.700 50 0 HHAARM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(OC)cc1Br ZINC000032601939 522898097 /nfs/dbraw/zinc/89/80/97/522898097.db2.gz CVGFLBZBTBTYNR-UHFFFAOYSA-N -1 0 400.294 3.884 50 0 HHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Cl)cc21 ZINC000006893128 534802471 /nfs/dbraw/zinc/80/24/71/534802471.db2.gz GRWRWDWNZYVPEX-UHFFFAOYSA-N -1 0 401.271 3.540 50 0 HHAARM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032088169 526315346 /nfs/dbraw/zinc/31/53/46/526315346.db2.gz QKXOANAQAZFPKJ-IBGZPJMESA-N -1 0 410.474 3.865 50 0 HHAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCc1cccc(F)c1 ZINC000040426176 526661525 /nfs/dbraw/zinc/66/15/25/526661525.db2.gz OGGXTXFOAQKIAJ-UHFFFAOYSA-N -1 0 420.366 3.651 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCC1 ZINC000032895489 526807083 /nfs/dbraw/zinc/80/70/83/526807083.db2.gz AHYRYNLQFPXZQY-UHFFFAOYSA-N -1 0 414.405 3.622 50 0 HHAARM O=C([O-])[C@@H](Cc1cccc(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000021986534 527648203 /nfs/dbraw/zinc/64/82/03/527648203.db2.gz QTAKQPPYEQCJTJ-JOCHJYFZSA-N -1 0 403.434 3.927 50 0 HHAARM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 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FKKRPTKOHUIYKN-UHFFFAOYSA-N -1 0 424.478 3.797 50 0 HHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002272656 557333287 /nfs/dbraw/zinc/33/32/87/557333287.db2.gz WQRNWHAQOXBYKH-UHFFFAOYSA-N -1 0 420.450 3.903 50 0 aggregator HHAARM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002828759 557397370 /nfs/dbraw/zinc/39/73/70/557397370.db2.gz AAJATLNKJWMJHN-UHFFFAOYSA-N -1 0 419.553 3.816 50 0 HHAARM CCCCOc1cccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000034764884 557461660 /nfs/dbraw/zinc/46/16/60/557461660.db2.gz WQWZRPXYSHYQSI-UHFFFAOYSA-N -1 0 424.476 3.811 50 0 HHAARM COc1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2cccs2)cc1OC ZINC000004832591 557604091 /nfs/dbraw/zinc/60/40/91/557604091.db2.gz IRGSIVROBFWWBL-UHFFFAOYSA-N -1 0 400.456 3.635 50 0 HHAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005101179 557635488 /nfs/dbraw/zinc/63/54/88/557635488.db2.gz MOTMVXLFBMXYGN-KBPBESRZSA-N -1 0 403.431 3.946 50 0 HHAARM COCCCNC(=O)CCCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000002686841 557740367 /nfs/dbraw/zinc/74/03/67/557740367.db2.gz YVNAWRWKZSFKRC-UHFFFAOYSA-N -1 0 405.545 3.597 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1Br ZINC000002737528 557751761 /nfs/dbraw/zinc/75/17/61/557751761.db2.gz VWEPJPPWHHQBQJ-UWVGGRQHSA-N -1 0 403.070 3.817 50 0 HHAARM CCn1ncc(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)c1C ZINC000002804736 557763602 /nfs/dbraw/zinc/76/36/02/557763602.db2.gz RBCXLGOJBZLRAN-UHFFFAOYSA-N -1 0 414.318 3.564 50 0 HHAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCC1=CCCCC1 ZINC000002975244 557776744 /nfs/dbraw/zinc/77/67/44/557776744.db2.gz OVIMMXGLZUCBAQ-UHFFFAOYSA-N -1 0 415.515 3.575 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008448196 557790510 /nfs/dbraw/zinc/79/05/10/557790510.db2.gz LETMSSKQFGRAKI-XNOWSJKESA-N -1 0 423.468 3.575 50 0 HHAARM CC(C)[C@]12CC[C@](C)(O1)[C@@H](Oc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC000013401084 558531542 /nfs/dbraw/zinc/53/15/42/558531542.db2.gz YVYOHLNJGLJXES-RCJJNBIHSA-N -1 0 421.921 3.792 50 0 HHAARM Cc1c(-c2cc(C(=O)[O-])n3nc4nc(C(F)(F)F)cc(C5CC5)c4c3n2)cnn1C ZINC000013645069 558556449 /nfs/dbraw/zinc/55/64/49/558556449.db2.gz VKMRZYGXFNSAGW-UHFFFAOYSA-N -1 0 416.363 3.581 50 0 HHAARM Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cc2ccccc2o1 ZINC000072191564 558563068 /nfs/dbraw/zinc/56/30/68/558563068.db2.gz LTMJHPDUYYWFRD-UHFFFAOYSA-N -1 0 408.439 3.657 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1C ZINC000004483783 558603139 /nfs/dbraw/zinc/60/31/39/558603139.db2.gz HCLUIKNGMWNWIZ-IAGOWNOFSA-N -1 0 402.376 3.816 50 0 HHAARM CCOc1ccc(COc2cccc([C@@H]3N[C@@H](C(=O)[O-])CS3)c2)cc1OCC ZINC000013961498 558609284 /nfs/dbraw/zinc/60/92/84/558609284.db2.gz XRVAGDXCLQTBOR-YLJYHZDGSA-N -1 0 403.500 3.851 50 0 HHAARM Cc1cccc2sc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccco4)C3=O)c(Cl)c21 ZINC000024834138 558615729 /nfs/dbraw/zinc/61/57/29/558615729.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H]2CCCO2)c(C)c1 ZINC000016955920 558810165 /nfs/dbraw/zinc/81/01/65/558810165.db2.gz IWMBNOLOQBKALF-MRXNPFEDSA-N -1 0 412.515 3.638 50 0 HHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082908 558815341 /nfs/dbraw/zinc/81/53/41/558815341.db2.gz OLISTOKEPCXXGI-UONOGXRCSA-N -1 0 404.532 3.739 50 0 HHAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017087456 558816290 /nfs/dbraw/zinc/81/62/90/558816290.db2.gz LWFKQWUVZLKPQW-LBPRGKRZSA-N -1 0 406.548 3.985 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)[C@H](C(=O)[O-])C1 ZINC000017089204 558817702 /nfs/dbraw/zinc/81/77/02/558817702.db2.gz OMEPNOWTLKSYRM-DLBZAZTESA-N -1 0 412.511 3.824 50 0 HHAARM Cc1ccc(CNC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCC3)cc1 ZINC000017089986 558818444 /nfs/dbraw/zinc/81/84/44/558818444.db2.gz BYIPSCSKWUAGRA-CQSZACIVSA-N -1 0 414.527 3.915 50 0 HHAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C)C3)cc1 ZINC000017090018 558818556 /nfs/dbraw/zinc/81/85/56/558818556.db2.gz YKWZASSGWLHIPS-CQSZACIVSA-N -1 0 414.527 3.915 50 0 HHAARM CCOc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000017090582 558819118 /nfs/dbraw/zinc/81/91/18/558819118.db2.gz BAAWZPRIILUOCG-UHFFFAOYSA-N -1 0 416.459 3.827 50 0 HHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017090654 558819334 /nfs/dbraw/zinc/81/93/34/558819334.db2.gz GTUFFAQCMFLGQJ-ZIAGYGMSSA-N -1 0 416.499 3.589 50 0 HHAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007146 558827824 /nfs/dbraw/zinc/82/78/24/558827824.db2.gz NLHRPSGJSBXNSG-UHFFFAOYSA-N -1 0 404.488 3.575 50 0 HHAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2C)n(-c2ccc(C)cc2)c1=O ZINC000013775271 558868206 /nfs/dbraw/zinc/86/82/06/558868206.db2.gz IOPILYRYYXRIFF-UHFFFAOYSA-N -1 0 409.511 3.848 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCC1 ZINC000033077449 558868661 /nfs/dbraw/zinc/86/86/61/558868661.db2.gz KOGQJJCGKWXCNE-UHFFFAOYSA-N -1 0 414.527 3.884 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)ccc1Cl ZINC000010657299 558892260 /nfs/dbraw/zinc/89/22/60/558892260.db2.gz GGWYAGRKZFUCLC-UHFFFAOYSA-N -1 0 410.286 3.783 50 0 HHAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000071708012 558907251 /nfs/dbraw/zinc/90/72/51/558907251.db2.gz SJNUPEVEYIHCSI-UHFFFAOYSA-N -1 0 419.499 3.634 50 0 HHAARM COc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(OC)cc1Br ZINC000072414245 558977983 /nfs/dbraw/zinc/97/79/83/558977983.db2.gz HOZMSPPSSIOMKH-UHFFFAOYSA-N -1 0 423.288 3.815 50 0 HHAARM CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000043736846 558991780 /nfs/dbraw/zinc/99/17/80/558991780.db2.gz NMRMMCZURGCYED-WFPMFETHSA-N -1 0 403.519 3.727 50 0 HHAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)c1 ZINC000023157941 559022499 /nfs/dbraw/zinc/02/24/99/559022499.db2.gz GLJNIMKVGYZRBZ-IBGZPJMESA-N -1 0 406.511 3.961 50 0 HHAARM C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)C(=O)[O-] ZINC000004811786 559069312 /nfs/dbraw/zinc/06/93/12/559069312.db2.gz XIBPAALIVVVJHR-NSHDSACASA-N -1 0 416.524 3.864 50 0 HHAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC)c2=O)cc1 ZINC000100551167 559136368 /nfs/dbraw/zinc/13/63/68/559136368.db2.gz ZKASUPWOHUOQDS-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(Br)cc1F)CC3 ZINC000102964511 559153871 /nfs/dbraw/zinc/15/38/71/559153871.db2.gz QRXDFONYFLWOLB-YRNVUSSQSA-N -1 0 415.218 3.941 50 0 HHAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000004928419 559208481 /nfs/dbraw/zinc/20/84/81/559208481.db2.gz QLDVYFYGXPIVHC-MBWAJUJLSA-N -1 0 413.905 3.889 50 0 HHAARM O=C([O-])C[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2)CC(c2ccc(F)cc2)=NO1 ZINC000005488621 560597657 /nfs/dbraw/zinc/59/76/57/560597657.db2.gz AWRBONGKXBQRBN-SFHVURJKSA-N -1 0 410.323 3.821 50 0 HHAARM CCOC(=O)CSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000005644446 560636212 /nfs/dbraw/zinc/63/62/12/560636212.db2.gz JUSJLWABANWLQM-UHFFFAOYSA-N -1 0 410.499 3.520 50 0 HHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)ccc21 ZINC000017248126 560704963 /nfs/dbraw/zinc/70/49/63/560704963.db2.gz HQDPPGCPAYVWCF-UHFFFAOYSA-N -1 0 402.516 3.802 50 0 HHAARM Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167903 560787380 /nfs/dbraw/zinc/78/73/80/560787380.db2.gz ZGHJFBMZWCYOQK-NRFANRHFSA-N -1 0 410.433 3.951 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(F)c3)c([O-])c3cccnc32)c1 ZINC000101722192 560798762 /nfs/dbraw/zinc/79/87/62/560798762.db2.gz OVQKYFBTWWCJPW-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM COc1ccccc1NCc1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000101803081 560802273 /nfs/dbraw/zinc/80/22/73/560802273.db2.gz IGLKANLOWMVIJT-UHFFFAOYSA-N -1 0 409.877 3.591 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2OC)cc1 ZINC000101835750 560803346 /nfs/dbraw/zinc/80/33/46/560803346.db2.gz VIXBBPZASPOMST-IBGZPJMESA-N -1 0 418.453 3.690 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2ccc(F)cc2)C1 ZINC000101836182 560803521 /nfs/dbraw/zinc/80/35/21/560803521.db2.gz WKIIYHAOXCZUIF-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM CCc1ccc(CN(C(=O)C2CCCCC2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877941 560804228 /nfs/dbraw/zinc/80/42/28/560804228.db2.gz YHUJXGNSXVRFTR-UHFFFAOYSA-N -1 0 407.518 3.710 50 0 HHAARM COc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1Cl ZINC000013346026 560804820 /nfs/dbraw/zinc/80/48/20/560804820.db2.gz XJJCFTSQJWGHQU-UHFFFAOYSA-N -1 0 420.668 3.610 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)cc1 ZINC000102820836 560829571 /nfs/dbraw/zinc/82/95/71/560829571.db2.gz YDFZNLTWLXHSLJ-JEJOPICUSA-N -1 0 416.437 3.793 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(F)cc1 ZINC000102901490 560834998 /nfs/dbraw/zinc/83/49/98/560834998.db2.gz NLFKUEDKPDIDEB-LJQANCHMSA-N -1 0 406.417 3.820 50 0 HHAARM C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000024579700 560860235 /nfs/dbraw/zinc/86/02/35/560860235.db2.gz VMICHFNEQOWSTE-HNNXBMFYSA-N -1 0 406.935 3.833 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])C1 ZINC000046053322 568425259 /nfs/dbraw/zinc/42/52/59/568425259.db2.gz XSNUXUCEPVTWCW-QGZVFWFLSA-N -1 0 410.470 3.725 50 0 HHAARM CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1cccc(F)c1 ZINC000000662284 568460232 /nfs/dbraw/zinc/46/02/32/568460232.db2.gz CIINWOTUKGZUTK-INIZCTEOSA-N -1 0 415.446 3.504 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N[C@H](C)c4ccccc4)c3=O)c2c1 ZINC000020330306 568599406 /nfs/dbraw/zinc/59/94/06/568599406.db2.gz VOSWJAMWQKCICG-CYBMUJFWSA-N -1 0 422.510 3.816 50 0 HHAARM O=C([O-])C[C@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cccs1 ZINC000095350699 568601066 /nfs/dbraw/zinc/60/10/66/568601066.db2.gz FVVRBWCJGVYLGA-HNNXBMFYSA-N -1 0 414.508 3.685 50 0 HHAARM COC(=O)C[C@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccc(Cl)cc1Cl ZINC000095482136 568634182 /nfs/dbraw/zinc/63/41/82/568634182.db2.gz UTNLLUNXXDFETP-HNNXBMFYSA-N -1 0 400.258 3.669 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000095945317 568663285 /nfs/dbraw/zinc/66/32/85/568663285.db2.gz ASTMBIDSOBFOJH-LJQANCHMSA-N -1 0 414.433 3.776 50 0 HHAARM CCc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000021154170 568672979 /nfs/dbraw/zinc/67/29/79/568672979.db2.gz PADKUIODXPQDRO-UHFFFAOYSA-N -1 0 403.548 3.631 50 0 HHAARM COc1cc(OC)cc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000225781256 568674427 /nfs/dbraw/zinc/67/44/27/568674427.db2.gz MHMZHUHJOALGFH-KRWDZBQOSA-N -1 0 402.472 3.698 50 0 HHAARM Cc1c2c(cc(=O)n1Cc1ccc(F)cc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012389658 568692390 /nfs/dbraw/zinc/69/23/90/568692390.db2.gz QSOCAIDYMMDKHB-UHFFFAOYSA-N -1 0 406.442 3.950 50 0 HHAARM COC(=O)C[C@@H](c1cccnc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116013 568695511 /nfs/dbraw/zinc/69/55/11/568695511.db2.gz GMVRIJJLAPPBCU-INIZCTEOSA-N -1 0 417.417 3.961 50 0 biogenic HHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)cc(OC)c1OC ZINC000096323600 568732152 /nfs/dbraw/zinc/73/21/52/568732152.db2.gz CLOIZSQEECEENK-UHFFFAOYSA-N -1 0 410.473 3.538 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C2CC2)o1 ZINC000096379659 568741113 /nfs/dbraw/zinc/74/11/13/568741113.db2.gz ZJMIWGPINXLKLK-UHFFFAOYSA-N -1 0 402.476 3.677 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)[C@H](C(=O)[O-])C1 ZINC000000915933 568750412 /nfs/dbraw/zinc/75/04/12/568750412.db2.gz LVFLAQWNCZHCGE-VQTJNVASSA-N -1 0 418.449 3.873 50 0 HHAARM O=C([O-])c1cccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)c1 ZINC000096577897 568761343 /nfs/dbraw/zinc/76/13/43/568761343.db2.gz MLRCWASKARVTTR-AQTBWJFISA-N -1 0 409.401 3.577 50 0 HHAARM CCN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022577391 568770133 /nfs/dbraw/zinc/77/01/33/568770133.db2.gz OYXUZXKAXDOPTP-GOSISDBHSA-N -1 0 423.542 3.792 50 0 HHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc([N+](=O)[O-])ccc1Br ZINC000254700469 568808771 /nfs/dbraw/zinc/80/87/71/568808771.db2.gz AMPVQSRQIMEIDP-UHFFFAOYSA-N -1 0 402.208 3.548 50 0 HHAARM O=S(=O)([N-]c1ccn(Cc2cccc(F)c2)n1)c1ccc(Br)s1 ZINC000002804040 568811346 /nfs/dbraw/zinc/81/13/46/568811346.db2.gz RGGSDCFFWWGJGI-UHFFFAOYSA-N -1 0 416.297 3.695 50 0 HHAARM O=S(=O)([N-]c1ncn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)cc1 ZINC000002803832 568811399 /nfs/dbraw/zinc/81/13/99/568811399.db2.gz AVMOQEZIOSTDHY-UHFFFAOYSA-N -1 0 401.250 3.573 50 0 HHAARM CC(NCc1ccccc1C(F)(F)F)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005884681 568828060 /nfs/dbraw/zinc/82/80/60/568828060.db2.gz RVOKODATJFWVHC-GHRIWEEISA-N -1 0 417.387 3.660 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C)ccc1C ZINC000012526219 568843056 /nfs/dbraw/zinc/84/30/56/568843056.db2.gz GODKFZPREMCEFC-INIZCTEOSA-N -1 0 402.516 3.819 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000003206548 568846379 /nfs/dbraw/zinc/84/63/79/568846379.db2.gz GGNJRELFQBINOO-UHFFFAOYSA-N -1 0 423.281 3.837 50 0 HHAARM COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=S)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000012557478 568856333 /nfs/dbraw/zinc/85/63/33/568856333.db2.gz FUHRMCJXUNAIGV-KRWDZBQOSA-N -1 0 416.886 3.921 50 0 HHAARM CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000004026860 568878074 /nfs/dbraw/zinc/87/80/74/568878074.db2.gz HVFXWBGSLISKKU-AYSMAOOMSA-N -1 0 423.465 3.843 50 0 biogenic HHAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NCc4ccco4)cc3[n-]c2=S)cc1 ZINC000003632259 568921287 /nfs/dbraw/zinc/92/12/87/568921287.db2.gz UVPPATYMRBNKJN-UHFFFAOYSA-N -1 0 421.478 3.639 50 0 HHAARM CCc1cc(-c2n[nH]c(CCC(=O)[O-])c2-c2nc3ccccc3n2C)c(O)cc1O ZINC000004136297 568945485 /nfs/dbraw/zinc/94/54/85/568945485.db2.gz VGOGVFHWIJPDAN-UHFFFAOYSA-N -1 0 406.442 3.621 50 0 HHAARM O=C([O-])c1cccc(CN2C(=O)S[C@@H](Nc3ccc(Br)cc3)C2=O)c1 ZINC000004164517 568947798 /nfs/dbraw/zinc/94/77/98/568947798.db2.gz MGXFEKPLNRRXGL-CQSZACIVSA-N -1 0 421.272 3.781 50 0 HHAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1 ZINC000012774559 568953494 /nfs/dbraw/zinc/95/34/94/568953494.db2.gz ZXZSNVGTWXFAFN-IBGZPJMESA-N -1 0 404.470 3.869 50 0 HHAARM CC(=O)Nc1nc(SCc2cccc(C)c2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000004248925 568953935 /nfs/dbraw/zinc/95/39/35/568953935.db2.gz ZVPKMUMLNPMKRP-UHFFFAOYSA-N -1 0 414.512 3.643 50 0 HHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000008231776 568984333 /nfs/dbraw/zinc/98/43/33/568984333.db2.gz KDTOCNUEAFGCBB-UHFFFAOYSA-N -1 0 410.451 3.556 50 0 HHAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000006116488 569005065 /nfs/dbraw/zinc/00/50/65/569005065.db2.gz PTAIOKLOMSETNJ-CVEARBPZSA-N -1 0 421.885 3.588 50 0 HHAARM CN(C)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146364 569014526 /nfs/dbraw/zinc/01/45/26/569014526.db2.gz WDFSJCCYWHBFMJ-UHFFFAOYSA-N -1 0 413.474 3.945 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000035377903 569034432 /nfs/dbraw/zinc/03/44/32/569034432.db2.gz SCNHPQQAELWMLT-ZDUSSCGKSA-N -1 0 423.498 3.630 50 0 HHAARM CCN(CC)c1ncc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000035397660 569034919 /nfs/dbraw/zinc/03/49/19/569034919.db2.gz KQMXNJVGLDAAFK-UHFFFAOYSA-N -1 0 405.520 3.625 50 0 HHAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)c1 ZINC000006456967 569053671 /nfs/dbraw/zinc/05/36/71/569053671.db2.gz XYEOIILDNWNXSU-UHFFFAOYSA-N -1 0 408.479 3.620 50 0 HHAARM COc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000006471406 569058054 /nfs/dbraw/zinc/05/80/54/569058054.db2.gz ZYTHCXVEIMHMTJ-MRXNPFEDSA-N -1 0 410.495 3.987 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)nc(C)n1 ZINC000006623344 569075036 /nfs/dbraw/zinc/07/50/36/569075036.db2.gz KFIGQZAHEGMBDU-UHFFFAOYSA-N -1 0 415.450 3.677 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)CC1 ZINC000064820291 569102592 /nfs/dbraw/zinc/10/25/92/569102592.db2.gz VQQVTXLECMUOLS-UHFFFAOYSA-N -1 0 410.470 3.725 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2C)C1 ZINC000064820467 569102689 /nfs/dbraw/zinc/10/26/89/569102689.db2.gz UFDHVISMKBMXSP-QGZVFWFLSA-N -1 0 410.470 3.725 50 0 HHAARM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3C)s2)cc1C ZINC000006778389 569118832 /nfs/dbraw/zinc/11/88/32/569118832.db2.gz CNOAUUKOSWDDHE-UHFFFAOYSA-N -1 0 402.501 3.516 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1 ZINC000064979451 569140457 /nfs/dbraw/zinc/14/04/57/569140457.db2.gz LBKJLXZLSIHKEC-UHFFFAOYSA-N -1 0 416.455 3.636 50 0 HHAARM O=C([O-])c1ccc(CNC(=O)CCn2ccc3ccc(Br)cc32)cc1 ZINC000036359245 569150654 /nfs/dbraw/zinc/15/06/54/569150654.db2.gz GSPMNCQOWWPPKN-UHFFFAOYSA-N -1 0 401.260 3.809 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1OC ZINC000006887697 569171230 /nfs/dbraw/zinc/17/12/30/569171230.db2.gz PPJZLVINZGRDAK-UHFFFAOYSA-N -1 0 418.471 3.785 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1C ZINC000065115884 569179740 /nfs/dbraw/zinc/17/97/40/569179740.db2.gz AMJWIPZKTDEHHO-UHFFFAOYSA-N -1 0 415.471 3.726 50 0 HHAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1cccc(Cl)c1 ZINC000006974083 569193013 /nfs/dbraw/zinc/19/30/13/569193013.db2.gz IJZDQVHYCKYRDH-UHFFFAOYSA-N -1 0 402.859 3.699 50 0 HHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2C1 ZINC000065196180 569194487 /nfs/dbraw/zinc/19/44/87/569194487.db2.gz FWLISFPELOLTJR-UHFFFAOYSA-N -1 0 402.900 3.636 50 0 HHAARM O=C(Cc1ccsc1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260871 569209650 /nfs/dbraw/zinc/20/96/50/569209650.db2.gz FBLAMOMGEFHPOY-UHFFFAOYSA-N -1 0 424.913 3.532 50 0 HHAARM O=S(=O)([N-]c1cccn2nc(C3CCC3)nc12)c1ccc(Br)cc1 ZINC000065284034 569216485 /nfs/dbraw/zinc/21/64/85/569216485.db2.gz GQGKQHDBGUTVJO-UHFFFAOYSA-N -1 0 407.293 3.560 50 0 HHAARM [O-]C(c1cccs1)=C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170623512 569249806 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/nfs/dbraw/zinc/53/89/64/558538964.db2.gz ROXOYINZIZVKAX-UHFFFAOYSA-N -1 0 416.890 3.716 50 0 HHAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 ZINC000013645400 558556400 /nfs/dbraw/zinc/55/64/00/558556400.db2.gz CLCPAMUTJOIAGW-UHFFFAOYSA-N -1 0 416.363 3.581 50 0 HHAARM CCOc1ccc(NC(=O)C[C@H]2N=C(Nc3cc(Cl)cc(Cl)c3)N=C2[O-])cc1 ZINC000013729299 558585815 /nfs/dbraw/zinc/58/58/15/558585815.db2.gz IPEVKWHSPKOGDI-MRXNPFEDSA-N -1 0 421.284 3.687 50 0 HHAARM O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2cccc(O)c2)c(Cl)c1=O)C3 ZINC000013813933 558595994 /nfs/dbraw/zinc/59/59/94/558595994.db2.gz KDAMRHZWGVHROA-MDSTYGKASA-N -1 0 415.877 3.582 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1 ZINC000024992165 558626350 /nfs/dbraw/zinc/62/63/50/558626350.db2.gz BAAIKDBJTAJRPF-UHFFFAOYSA-N -1 0 406.357 3.526 50 0 HHAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)oc1ccccc12 ZINC000014849752 558674849 /nfs/dbraw/zinc/67/48/49/558674849.db2.gz 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O=C([O-])/C=C\C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000033330681 558766828 /nfs/dbraw/zinc/76/68/28/558766828.db2.gz ZTFNPQPPGDZZBL-HJWRWDBZSA-N -1 0 420.296 3.899 50 0 HHAARM Cc1cc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)ccc1NC(=O)c1cccs1 ZINC000001140448 558775579 /nfs/dbraw/zinc/77/55/79/558775579.db2.gz SHRMXZGYXSEUKZ-UHFFFAOYSA-N -1 0 406.419 3.808 50 0 HHAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017081943 558813964 /nfs/dbraw/zinc/81/39/64/558813964.db2.gz HKZSZXYNSCHOAP-UHFFFAOYSA-N -1 0 400.500 3.669 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000017082842 558815071 /nfs/dbraw/zinc/81/50/71/558815071.db2.gz KOIKYZDLGHOXRA-UHFFFAOYSA-N -1 0 404.451 3.683 50 0 HHAARM CCc1cc2c([nH]c(=S)n([N-]C(=O)c3cc(Br)cs3)c2=O)s1 ZINC000017090517 558819140 /nfs/dbraw/zinc/81/91/40/558819140.db2.gz PABCUORBNYGLDG-UHFFFAOYSA-N -1 0 416.347 3.891 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000017090753 558819430 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418.515 3.821 50 0 HHAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1 ZINC000033253912 558921951 /nfs/dbraw/zinc/92/19/51/558921951.db2.gz LXQXWRYRUOKLPF-UHFFFAOYSA-N -1 0 414.458 3.961 50 0 HHAARM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000033253963 558922299 /nfs/dbraw/zinc/92/22/99/558922299.db2.gz IUFSWYMSGJZZDL-HNNXBMFYSA-N -1 0 402.516 3.984 50 0 HHAARM COc1ccc(CN2CNc3c(c(=O)[n-]c(=S)n3-c3ccccc3Cl)C2)cc1 ZINC000097956959 558986861 /nfs/dbraw/zinc/98/68/61/558986861.db2.gz ZVYZANLDGVYOMM-UHFFFAOYSA-N -1 0 414.918 3.942 50 0 HHAARM O=C([O-])c1cc(NC(=O)CSc2nnc(-c3cccnc3)s2)ccc1Cl ZINC000004769871 559055600 /nfs/dbraw/zinc/05/56/00/559055600.db2.gz MNYSBKVDPKVJDU-UHFFFAOYSA-N -1 0 406.876 3.683 50 0 HHAARM O=C([O-])[C@H]1[C@@H]2CCC(=O)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095743156 559088452 /nfs/dbraw/zinc/08/84/52/559088452.db2.gz NIRUKWHZKOUGIS-VKIFBMEASA-N -1 0 405.450 3.690 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)cc1NC(C)=O 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WMJKCNCZXGVMAG-UHFFFAOYSA-N -1 0 402.516 3.938 50 0 HHAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc21 ZINC000017247920 560704831 /nfs/dbraw/zinc/70/48/31/560704831.db2.gz QMCMJEAAUNCRGY-UHFFFAOYSA-N -1 0 402.516 3.802 50 0 HHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Br)O[C@@H](C)C2 ZINC000017520624 560717685 /nfs/dbraw/zinc/71/76/85/560717685.db2.gz AMGFQKNFLAYLHP-NSHDSACASA-N -1 0 412.305 3.972 50 0 HHAARM CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[n-]1 ZINC000017782518 560728259 /nfs/dbraw/zinc/72/82/59/560728259.db2.gz PUQTXJRFLBMLCT-UHFFFAOYSA-N -1 0 423.541 3.559 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000011693248 560773587 /nfs/dbraw/zinc/77/35/87/560773587.db2.gz ATHVGDUIERLHGW-UHFFFAOYSA-N -1 0 423.903 3.858 50 0 HHAARM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(C)c2[O-])=Nc2ccccc2S1 ZINC000101495235 560796225 /nfs/dbraw/zinc/79/62/25/560796225.db2.gz JDYZJWBGYJVPPW-SFHVURJKSA-N -1 0 423.494 3.536 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(C)c3)c([O-])c3cccnc32)c1 ZINC000101722141 560798736 /nfs/dbraw/zinc/79/87/36/560798736.db2.gz PQGPGMSFKOZXJR-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM Cc1cc(F)ccc1NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722784 560799014 /nfs/dbraw/zinc/79/90/14/560799014.db2.gz XIFORDLPDSXEHE-UHFFFAOYSA-N -1 0 403.413 3.850 50 0 HHAARM CCOc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723149 560799156 /nfs/dbraw/zinc/79/91/56/560799156.db2.gz AQVZNNLHUOJEDQ-UHFFFAOYSA-N -1 0 419.412 3.881 50 0 HHAARM Cc1cc(F)ccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723039 560799158 /nfs/dbraw/zinc/79/91/58/560799158.db2.gz ZOUPLNGFYUDCHP-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)N[C@@H](C)c3ccccc3)c([O-])c3cccnc32)cc1 ZINC000101723277 560799208 /nfs/dbraw/zinc/79/92/08/560799208.db2.gz GCPFVQUUPHENLS-HNNXBMFYSA-N -1 0 415.449 3.591 50 0 HHAARM CCOc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)cc1 ZINC000101833311 560803148 /nfs/dbraw/zinc/80/31/48/560803148.db2.gz PGMZHIZCZXRJPF-UHFFFAOYSA-N -1 0 400.504 3.930 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000101836276 560803552 /nfs/dbraw/zinc/80/35/52/560803552.db2.gz LCBNHTLXSKNJBA-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM C[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@H]1C ZINC000103869500 560844778 /nfs/dbraw/zinc/84/47/78/560844778.db2.gz WVLBZGJIXNDCCS-OWCLPIDISA-N -1 0 405.564 3.756 50 0 HHAARM O=C1N[C@H](c2cccc(Cl)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213456 560886444 /nfs/dbraw/zinc/88/64/44/560886444.db2.gz ZDOBPFPNNQUTKL-YWPYICTPSA-N -1 0 404.797 3.505 50 0 HHAARM Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005207297 568417467 /nfs/dbraw/zinc/41/74/67/568417467.db2.gz UWPHGGUWZISWLU-SFHVURJKSA-N -1 0 408.458 3.519 50 0 HHAARM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O ZINC000048333878 568439529 /nfs/dbraw/zinc/43/95/29/568439529.db2.gz OEFHPJCBAIWILH-MRVPVSSYSA-N -1 0 420.796 3.879 50 0 HHAARM Cc1cc2c(nc(C)n([N-]C(=O)c3ccc(COc4ccc(F)cc4)o3)c2=O)s1 ZINC000000651340 568458273 /nfs/dbraw/zinc/45/82/73/568458273.db2.gz RGAPGZBCDBIWCA-UHFFFAOYSA-N -1 0 413.430 3.770 50 0 HHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4[nH]c3=O)C2)cc1 ZINC000000808240 568487321 /nfs/dbraw/zinc/48/73/21/568487321.db2.gz DGGFBSCNBQLMPX-FQEVSTJZSA-N -1 0 417.465 3.687 50 0 HHAARM O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000032999874 568510639 /nfs/dbraw/zinc/51/06/39/568510639.db2.gz SBLUWRAWZZOWAM-UHFFFAOYSA-N -1 0 423.903 3.615 50 0 HHAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2cccs2)s1 ZINC000033306453 568514049 /nfs/dbraw/zinc/51/40/49/568514049.db2.gz NVJUYFGEWVGPJW-FNORWQNLSA-N -1 0 423.541 3.713 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccccc2C)c(C)n1C ZINC000021030304 568659323 /nfs/dbraw/zinc/65/93/23/568659323.db2.gz TZQOHKYCVOTJCA-UHFFFAOYSA-N -1 0 403.548 3.623 50 0 HHAARM COC(=O)C[C@@H](c1ccncc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115289 568694952 /nfs/dbraw/zinc/69/49/52/568694952.db2.gz BNDAHCHWXBLUNI-INIZCTEOSA-N -1 0 417.417 3.961 50 0 biogenic HHAARM O=C([O-])[C@@H]1[C@H]([C@H]2CCCO2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685939989 568722303 /nfs/dbraw/zinc/72/23/03/568722303.db2.gz WEDKHZZJEKIRCR-NNWRFLSQSA-N -1 0 407.466 3.890 50 0 HHAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000005790720 568733568 /nfs/dbraw/zinc/73/35/68/568733568.db2.gz YEPCTOWQIFOACV-UHFFFAOYSA-N -1 0 406.435 3.602 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C2CCC2)o1 ZINC000096379735 568741463 /nfs/dbraw/zinc/74/14/63/568741463.db2.gz YOADQXCMODEZOB-UHFFFAOYSA-N -1 0 402.476 3.758 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000021881015 568757114 /nfs/dbraw/zinc/75/71/14/568757114.db2.gz PXSHAEJGIOYAMW-UHFFFAOYSA-N -1 0 404.488 3.560 50 0 HHAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2)[n-]c1=O ZINC000021882747 568757809 /nfs/dbraw/zinc/75/78/09/568757809.db2.gz DJZPAELEXFTUOY-UHFFFAOYSA-N -1 0 423.498 3.632 50 0 HHAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000647431 568761095 /nfs/dbraw/zinc/76/10/95/568761095.db2.gz GEMCHDVGKFFCJL-UHFFFAOYSA-N -1 0 403.485 3.595 50 0 HHAARM Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)[O-])c4)cc3C2=O)c1 ZINC000001066906 568766719 /nfs/dbraw/zinc/76/67/19/568766719.db2.gz DDNZQPFRIHIQTP-UHFFFAOYSA-N -1 0 400.390 3.746 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)nc(C)n1 ZINC000001088118 568768874 /nfs/dbraw/zinc/76/88/74/568768874.db2.gz FNVFSMBZIPQTMP-WOJBJXKFSA-N -1 0 422.510 3.636 50 0 HHAARM [O-]c1c([C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022610211 568771923 /nfs/dbraw/zinc/77/19/23/568771923.db2.gz NCKMJKIFJIFSPB-MRXNPFEDSA-N -1 0 415.519 3.609 50 0 HHAARM Cc1cc(S(=O)(=O)N(C)c2ccc(Br)cc2C)sc1C(=O)[O-] ZINC000057123959 568824364 /nfs/dbraw/zinc/82/43/64/568824364.db2.gz AECXORHIAXHUNY-UHFFFAOYSA-N -1 0 404.307 3.651 50 0 HHAARM O=C1NCc2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c21 ZINC000012604832 568870818 /nfs/dbraw/zinc/87/08/18/568870818.db2.gz UKKYKUUEHRQGJN-UHFFFAOYSA-N -1 0 424.322 3.768 50 0 HHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000003310297 568877866 /nfs/dbraw/zinc/87/78/66/568877866.db2.gz HMHUOOLQVYHAOG-UHFFFAOYSA-N -1 0 419.919 3.740 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000003448294 568904820 /nfs/dbraw/zinc/90/48/20/568904820.db2.gz HTDUXQNURADVIO-UHFFFAOYSA-N -1 0 424.522 3.859 50 0 HHAARM O=C(NCc1ccc(F)cc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630436 568921269 /nfs/dbraw/zinc/92/12/69/568921269.db2.gz JWWAFLDQGLYDOD-UHFFFAOYSA-N -1 0 419.481 3.803 50 0 HHAARM O=C(NCc1ccco1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631189 568921456 /nfs/dbraw/zinc/92/14/56/568921456.db2.gz XLYKYCYWLNJITQ-UHFFFAOYSA-N -1 0 405.479 3.825 50 0 HHAARM CC(NCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000001407362 568928357 /nfs/dbraw/zinc/92/83/57/568928357.db2.gz QXPSBVGHYAXEAR-LFIBNONCSA-N -1 0 404.253 3.640 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](CSc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000004085222 568940103 /nfs/dbraw/zinc/94/01/03/568940103.db2.gz CQGQEOXVHCLQIO-VIFPVBQESA-N -1 0 400.806 3.824 50 0 HHAARM CCc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004110759 568943955 /nfs/dbraw/zinc/94/39/55/568943955.db2.gz ICZCTDDCGJMPKU-IBGZPJMESA-N -1 0 410.470 3.809 50 0 HHAARM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000004270518 568956759 /nfs/dbraw/zinc/95/67/59/568956759.db2.gz KSFHYCACWGFYCL-UHFFFAOYSA-N -1 0 410.499 3.763 50 0 HHAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1 ZINC000085664603 569006475 /nfs/dbraw/zinc/00/64/75/569006475.db2.gz ROGMJMIMTXAZPY-UHFFFAOYSA-N -1 0 403.407 3.966 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)nc(C)n1 ZINC000006213887 569033225 /nfs/dbraw/zinc/03/32/25/569033225.db2.gz RBKFLJFDTAOFGO-UHFFFAOYSA-N -1 0 419.576 3.513 50 0 HHAARM CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000035361354 569033644 /nfs/dbraw/zinc/03/36/44/569033644.db2.gz NMRMMCZURGCYED-PJZJAIENSA-N -1 0 403.519 3.727 50 0 biogenic HHAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000035378026 569034492 /nfs/dbraw/zinc/03/44/92/569034492.db2.gz AMSOCJWIMVXDSC-ZDUSSCGKSA-N -1 0 423.498 3.712 50 0 HHAARM Cc1cc(C)cc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397621 569034915 /nfs/dbraw/zinc/03/49/15/569034915.db2.gz FATROPSLCBYLDB-UHFFFAOYSA-N -1 0 417.531 3.968 50 0 HHAARM O=C([O-])c1cccc(-c2ccc(C=C3N[C@H](NN=Cc4ccccc4)SC3=O)o2)c1 ZINC000252602161 569060692 /nfs/dbraw/zinc/06/06/92/569060692.db2.gz FGBQCRJLGVYACL-AJZIILSRSA-N -1 0 419.462 3.756 50 0 HHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000006581126 569067569 /nfs/dbraw/zinc/06/75/69/569067569.db2.gz PQLZERSOYKTJNY-UHFFFAOYSA-N -1 0 414.414 3.608 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000064580634 569068526 /nfs/dbraw/zinc/06/85/26/569068526.db2.gz XABZQEQBCKLDSQ-HNNXBMFYSA-N -1 0 418.515 3.821 50 0 HHAARM CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064590001 569069129 /nfs/dbraw/zinc/06/91/29/569069129.db2.gz DQQZJYHYPSWQIB-UHFFFAOYSA-N -1 0 413.493 3.831 50 0 HHAARM CCCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006596882 569069276 /nfs/dbraw/zinc/06/92/76/569069276.db2.gz NJYSJLWXAIVDBW-MYZSEDEFSA-N -1 0 405.560 3.977 50 0 HHAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(CCC(C)C)c1=O ZINC000100701476 569069826 /nfs/dbraw/zinc/06/98/26/569069826.db2.gz YXEIGYSPKLZFIZ-UHFFFAOYSA-N -1 0 408.454 3.792 50 0 biogenic HHAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[n-]c1=O ZINC000064774563 569093304 /nfs/dbraw/zinc/09/33/04/569093304.db2.gz YLNUXXQFCRYVNF-UHFFFAOYSA-N -1 0 423.498 3.570 50 0 HHAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000064837430 569104578 /nfs/dbraw/zinc/10/45/78/569104578.db2.gz SQUKTRXJZAFFLG-UHFFFAOYSA-N -1 0 415.471 3.726 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1OC ZINC000064837334 569105154 /nfs/dbraw/zinc/10/51/54/569105154.db2.gz LMXHFHAQJIKZNT-UHFFFAOYSA-N -1 0 418.471 3.785 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952123 569132658 /nfs/dbraw/zinc/13/26/58/569132658.db2.gz GLDQNECBCPMVCW-UHFFFAOYSA-N -1 0 406.529 3.735 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000036357074 569148678 /nfs/dbraw/zinc/14/86/78/569148678.db2.gz BQDPWAWVTVTPNQ-KRWDZBQOSA-N -1 0 400.887 3.818 50 0 HHAARM O=C([O-])c1sc2c(c1-c1ccccc1F)NC(=O)C[C@@]21C(=O)Nc2ccccc21 ZINC000036357531 569148909 /nfs/dbraw/zinc/14/89/09/569148909.db2.gz PLBUTBWIGOPQQC-NRFANRHFSA-N -1 0 408.410 3.833 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)n1C ZINC000065194172 569192717 /nfs/dbraw/zinc/19/27/17/569192717.db2.gz KYXFHQHHKHSBIK-UHFFFAOYSA-N -1 0 400.504 3.987 50 0 HHAARM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc2C1 ZINC000065196253 569194586 /nfs/dbraw/zinc/19/45/86/569194586.db2.gz LKNZSYFXABKHEK-UHFFFAOYSA-N -1 0 414.911 3.636 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1 ZINC000065196272 569194637 /nfs/dbraw/zinc/19/46/37/569194637.db2.gz FZGDKNOVZQAORI-UHFFFAOYSA-N -1 0 420.556 3.632 50 0 HHAARM CCOc1ccc(-c2noc(-c3c([O-])c4cnn(-c5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256942 569208580 /nfs/dbraw/zinc/20/85/80/569208580.db2.gz ORIOVBWANUEJDC-UHFFFAOYSA-N -1 0 415.409 3.535 50 0 HHAARM O=C([O-])c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000010079039 569253157 /nfs/dbraw/zinc/25/31/57/569253157.db2.gz PUVQOOYLKVCYSF-UNOMPAQXSA-N -1 0 421.840 3.922 50 0 HHAARM Cc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000017042245 569272386 /nfs/dbraw/zinc/27/23/86/569272386.db2.gz HDIRKBJHBOETFQ-UHFFFAOYSA-N -1 0 401.513 3.742 50 0 HHAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc2oc1=O ZINC000002100107 569281254 /nfs/dbraw/zinc/28/12/54/569281254.db2.gz XIYMXSVLSYROPW-GJZGRUSLSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)o1 ZINC000170672725 569297777 /nfs/dbraw/zinc/29/77/77/569297777.db2.gz VRCWFFKZJGIMTG-MGPUTAFESA-N -1 0 424.497 3.911 50 0 HHAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000007729040 569303481 /nfs/dbraw/zinc/30/34/81/569303481.db2.gz KKOGIWHRVXQMOE-UHFFFAOYSA-N -1 0 409.389 3.895 50 0 HHAARM C[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)C(=O)[O-] ZINC000002229680 569317570 /nfs/dbraw/zinc/31/75/70/569317570.db2.gz OGHJGDRWQAWQJZ-LBPRGKRZSA-N -1 0 400.525 3.950 50 0 HHAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1ccc2ccccc2c1 ZINC000002240570 569323644 /nfs/dbraw/zinc/32/36/44/569323644.db2.gz QSOBJWRDYRXQKH-UHFFFAOYSA-N -1 0 419.444 3.826 50 0 HHAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000007927843 569327389 /nfs/dbraw/zinc/32/73/89/569327389.db2.gz HYDTVMRNTSBMEL-UHFFFAOYSA-N -1 0 414.405 3.790 50 0 HHAARM CCOC(=O)[C@@]([N-]c1ccccc1F)(NC(=O)OCc1ccccc1)C(F)(F)F ZINC000002322935 569375243 /nfs/dbraw/zinc/37/52/43/569375243.db2.gz UYNCYADEHUHSIK-GOSISDBHSA-N -1 0 414.355 3.986 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C)cc3)cc2)c1C ZINC000011990516 569399285 /nfs/dbraw/zinc/39/92/85/569399285.db2.gz AVSHHTCGUQJMCR-UHFFFAOYSA-N -1 0 413.499 3.972 50 0 HHAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000079045928 569425210 /nfs/dbraw/zinc/42/52/10/569425210.db2.gz KHYDEYBQEAEKFK-CQSZACIVSA-N -1 0 422.460 3.865 50 0 HHAARM O=C1OCCN1c1ccccc1[N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000079106681 569427752 /nfs/dbraw/zinc/42/77/52/569427752.db2.gz GZULZYVUCIWNRI-UHFFFAOYSA-N -1 0 409.876 3.707 50 0 HHAARM O=C([O-])[C@@H]1[C@@H]2CCC(=O)C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000242574899 571042798 /nfs/dbraw/zinc/04/27/98/571042798.db2.gz NIRUKWHZKOUGIS-PGKMIFDNSA-N -1 0 405.450 3.690 50 0 HHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1)NCc1cccs1 ZINC000038678506 571060959 /nfs/dbraw/zinc/06/09/59/571060959.db2.gz HMVOPJPOFVHJAL-UHFFFAOYSA-N -1 0 422.478 3.686 50 0 HHAARM Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2n1 ZINC000008798016 571120469 /nfs/dbraw/zinc/12/04/69/571120469.db2.gz HHLGBCLNATYGHR-UHFFFAOYSA-N -1 0 414.468 3.646 50 0 HHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000008840597 571123792 /nfs/dbraw/zinc/12/37/92/571123792.db2.gz ZWDXAWQVVINSDX-UHFFFAOYSA-N -1 0 408.907 3.839 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000069510523 571228688 /nfs/dbraw/zinc/22/86/88/571228688.db2.gz KCVMVMJOXDHZQM-UHFFFAOYSA-N -1 0 420.487 3.569 50 0 HHAARM Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000009315024 571247455 /nfs/dbraw/zinc/24/74/55/571247455.db2.gz LBBFXFBIUQABFY-UHFFFAOYSA-N -1 0 417.512 3.660 50 0 HHAARM COc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000009349119 571250486 /nfs/dbraw/zinc/25/04/86/571250486.db2.gz BDBFINZEZJPFLW-UHFFFAOYSA-N -1 0 421.478 3.639 50 0 HHAARM N=c1occ(C(=O)c2cc(Br)ccc2[O-])cc1C(=O)NC1CCCCC1 ZINC000009440762 571259127 /nfs/dbraw/zinc/25/91/27/571259127.db2.gz BQFVNSDQIJRBJQ-UHFFFAOYSA-N -1 0 419.275 3.521 50 0 HHAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000009526178 571265777 /nfs/dbraw/zinc/26/57/77/571265777.db2.gz GDWHKLAPPXNTKC-UHFFFAOYSA-N -1 0 420.450 3.956 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CC2)c1 ZINC000009646034 571276404 /nfs/dbraw/zinc/27/64/04/571276404.db2.gz RNWOUENLWGOVPS-LBPRGKRZSA-N -1 0 408.907 3.678 50 0 HHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000009646361 571276481 /nfs/dbraw/zinc/27/64/81/571276481.db2.gz YUTXVWIIYIVCGJ-UHFFFAOYSA-N -1 0 407.469 3.506 50 0 HHAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(C)n1C ZINC000009684748 571279589 /nfs/dbraw/zinc/27/95/89/571279589.db2.gz HIJJIMWLXIZHQB-UHFFFAOYSA-N -1 0 409.939 3.641 50 0 HHAARM CCc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684973 571279647 /nfs/dbraw/zinc/27/96/47/571279647.db2.gz BOILLIOBKPHYAO-UHFFFAOYSA-N -1 0 403.548 3.631 50 0 HHAARM CSc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000009685068 571279696 /nfs/dbraw/zinc/27/96/96/571279696.db2.gz RZOBEMCVALSPFX-UHFFFAOYSA-N -1 0 421.588 3.791 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)n1C ZINC000009684963 571279700 /nfs/dbraw/zinc/27/97/00/571279700.db2.gz KRPIYLWWGRJSHM-UHFFFAOYSA-N -1 0 403.548 3.686 50 0 HHAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)cc1 ZINC000009972503 571293409 /nfs/dbraw/zinc/29/34/09/571293409.db2.gz UNPIACCNXXJNHJ-DHDCSXOGSA-N -1 0 416.842 3.713 50 0 HHAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737580 960465176 /nfs/dbraw/zinc/46/51/76/960465176.db2.gz STJZBTOOLUFIJY-QRWLVFNGSA-N -1 0 423.465 3.987 50 0 HHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000005736234 960773279 /nfs/dbraw/zinc/77/32/79/960773279.db2.gz LOOZVQKQTJLEDY-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM Cc1ccc(NC(=O)c2cc(NC(=O)/C=C\C(=O)[O-])ccc2N2CCCCC2)cc1 ZINC000032666873 966306511 /nfs/dbraw/zinc/30/65/11/966306511.db2.gz AKSHIOJALZTQLT-QXMHVHEDSA-N -1 0 407.470 3.817 50 0 HHAARM CCOC(=O)/C(C#N)=C(/C=C\c1ccc(C(=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000096298646 969043375 /nfs/dbraw/zinc/04/33/75/969043375.db2.gz OQYUMLALNKXVPK-QKCMGFJZSA-N -1 0 407.422 3.956 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccc(OC(F)(F)F)cc2)c1 ZINC000096875830 969053950 /nfs/dbraw/zinc/05/39/50/969053950.db2.gz ASSAQSZFQGWBJM-YHYXMXQVSA-N -1 0 415.389 3.736 50 0 HHAARM Cc1ccc(Cl)cc1N1CCN([C@@H](CC(=O)[O-])C(=O)c2ccc(F)cc2)CC1 ZINC000003324917 132264590 /nfs/dbraw/zinc/26/45/90/132264590.db2.gz ZLJOCBUAPFWSHJ-IBGZPJMESA-N -1 0 404.869 3.636 50 0 HHAARM CCOc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1OCC ZINC000004385751 132276263 /nfs/dbraw/zinc/27/62/63/132276263.db2.gz KOQOLCZRLBVGIS-UHFFFAOYSA-N -1 0 400.475 3.631 50 0 HHAARM O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000005136517 132302577 /nfs/dbraw/zinc/30/25/77/132302577.db2.gz PBUMSEQCJADALK-UHFFFAOYSA-N -1 0 400.431 3.813 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)cs1 ZINC000045961679 521553054 /nfs/dbraw/zinc/55/30/54/521553054.db2.gz IRAIBDIQWGPVDJ-UHFFFAOYSA-N -1 0 408.545 3.820 50 0 HHAARM CCc1cc(Br)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783066 523744857 /nfs/dbraw/zinc/74/48/57/523744857.db2.gz OZNGIWZHNULOJX-KBPBESRZSA-N -1 0 414.296 3.853 50 0 HHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1OC ZINC000040267817 525236933 /nfs/dbraw/zinc/23/69/33/525236933.db2.gz PDAVTFSDVFPEMO-HNNXBMFYSA-N -1 0 410.401 3.806 50 0 HHAARM Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020602650 526291134 /nfs/dbraw/zinc/29/11/34/526291134.db2.gz VDWRNHMRRGXABF-UHFFFAOYSA-N -1 0 422.272 3.539 50 0 HHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2F)c(Br)s1 ZINC000032588138 526355262 /nfs/dbraw/zinc/35/52/62/526355262.db2.gz BZRSHYIZRUQGNO-UHFFFAOYSA-N -1 0 414.661 3.802 50 0 HHAARM CCCC[C@H](CC)COCCCNC(C)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000006620826 535011819 /nfs/dbraw/zinc/01/18/19/535011819.db2.gz WSRPGHIURGDXKD-CIJMEZBMSA-N -1 0 415.534 3.756 50 0 HHAARM O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000682388 557056552 /nfs/dbraw/zinc/05/65/52/557056552.db2.gz RCPMEXXSCKURJV-UHFFFAOYSA-N -1 0 401.513 3.905 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000000784276 557079802 /nfs/dbraw/zinc/07/98/02/557079802.db2.gz FXLQVBPHQPIBOV-UHFFFAOYSA-N -1 0 408.526 3.658 50 0 HHAARM Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)c1 ZINC000000786429 557080410 /nfs/dbraw/zinc/08/04/10/557080410.db2.gz JCHICBRDGFCIOY-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM Cc1c(Cc2ccccc2)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000000794214 557082508 /nfs/dbraw/zinc/08/25/08/557082508.db2.gz BANHQLBNKVOICA-CABCVRRESA-N -1 0 400.500 3.576 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1 ZINC000001033891 557148679 /nfs/dbraw/zinc/14/86/79/557148679.db2.gz FLUIKMYBZKLQAN-UHFFFAOYSA-N -1 0 404.879 3.559 50 0 HHAARM CSc1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1C ZINC000001038333 557151709 /nfs/dbraw/zinc/15/17/09/557151709.db2.gz ILYMRQXXILPUEF-UHFFFAOYSA-N -1 0 400.938 3.720 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)no1 ZINC000001044821 557155854 /nfs/dbraw/zinc/15/58/54/557155854.db2.gz PMJXBTJMSRMXMX-UHFFFAOYSA-N -1 0 406.464 3.732 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)c1C ZINC000001088123 557176825 /nfs/dbraw/zinc/17/68/25/557176825.db2.gz RCBKTSYZYLPKRP-OALUTQOASA-N -1 0 411.483 3.834 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)c(Cl)c1Cl ZINC000001127588 557196025 /nfs/dbraw/zinc/19/60/25/557196025.db2.gz LDZCQSXXYRXXQW-UHFFFAOYSA-N -1 0 417.314 3.941 50 0 HHAARM COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1Br ZINC000001156670 557214750 /nfs/dbraw/zinc/21/47/50/557214750.db2.gz HFDCYXFYURNTDO-UHFFFAOYSA-N -1 0 423.288 3.591 50 0 HHAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000001796541 557288602 /nfs/dbraw/zinc/28/86/02/557288602.db2.gz UCLZSNNMQPRJBJ-DHDCSXOGSA-N -1 0 416.842 3.713 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000002888847 557423156 /nfs/dbraw/zinc/42/31/56/557423156.db2.gz ZQFGWUUKRZRGBT-UHFFFAOYSA-N -1 0 404.271 3.590 50 0 HHAARM CCOC(=O)N[C@]([N-]c1ccccc1C(F)(F)F)(C(=O)OCC)C(F)(F)F ZINC000003138064 557450428 /nfs/dbraw/zinc/45/04/28/557450428.db2.gz HJIQCUIRMMATET-CYBMUJFWSA-N -1 0 402.291 3.685 50 0 HHAARM CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O ZINC000034763088 557460441 /nfs/dbraw/zinc/46/04/41/557460441.db2.gz XMYWQFAHZUVHMJ-HNNXBMFYSA-N -1 0 424.476 3.810 50 0 HHAARM Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000003635178 557495731 /nfs/dbraw/zinc/49/57/31/557495731.db2.gz LDDJBMPSZLFYJZ-LMGFAJPXSA-N -1 0 409.441 3.630 50 0 HHAARM CCc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000003635196 557495784 /nfs/dbraw/zinc/49/57/84/557495784.db2.gz ACCPTPOVBWUFJU-FPAXGFGJSA-N -1 0 423.468 3.884 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCSCc2c(C)cc(C)cc2C)cc1 ZINC000004390602 557550878 /nfs/dbraw/zinc/55/08/78/557550878.db2.gz BBMYDBQXWWENPD-UHFFFAOYSA-N -1 0 406.573 3.842 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccccc3F)n2)cc1 ZINC000004499995 557560447 /nfs/dbraw/zinc/56/04/47/557560447.db2.gz DFHLVTUJDQUUTG-VOTSOKGWSA-N -1 0 412.446 3.545 50 0 HHAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000004694634 557582178 /nfs/dbraw/zinc/58/21/78/557582178.db2.gz NWSVGISNYOCWGI-LICLKQGHSA-N -1 0 410.451 3.677 50 0 HHAARM Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000005421166 557652835 /nfs/dbraw/zinc/65/28/35/557652835.db2.gz HCFUKLASXKIGGT-UHFFFAOYSA-N -1 0 400.390 3.746 50 0 HHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(CC)ccc3OC)ccc21 ZINC000022666450 557719977 /nfs/dbraw/zinc/71/99/77/557719977.db2.gz CXHBXRPZLCTSPM-UHFFFAOYSA-N -1 0 402.516 3.748 50 0 HHAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ccn(Cc2ccc(Cl)cc2)n1 ZINC000002804850 557763586 /nfs/dbraw/zinc/76/35/86/557763586.db2.gz IJDPIYOQJQILPG-UHFFFAOYSA-N -1 0 415.853 3.594 50 0 HHAARM Cc1ccc(OCc2ccc(C(=O)[N-]n3c(=O)c4ccccc4[nH]c3=S)o2)c(C)c1 ZINC000002792567 557764613 /nfs/dbraw/zinc/76/46/13/557764613.db2.gz CUUVSULSOWGUKR-UHFFFAOYSA-N -1 0 421.478 3.858 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000008746701 557805208 /nfs/dbraw/zinc/80/52/08/557805208.db2.gz HSDZIGAHVBMJES-UHFFFAOYSA-N -1 0 416.480 3.838 50 0 HHAARM CCCCC(=O)N[C@]([N-]c1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F ZINC000009012548 557819094 /nfs/dbraw/zinc/81/90/94/557819094.db2.gz MLLWGBQNDAHYFA-INIZCTEOSA-N -1 0 403.426 3.836 50 0 HHAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)c([O-])n2n1 ZINC000022854289 557840135 /nfs/dbraw/zinc/84/01/35/557840135.db2.gz CTTQLPDLCHFVJG-CQSZACIVSA-N -1 0 413.330 3.787 50 0 HHAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Br)c3ccccc32)cc1O ZINC000011635079 558264846 /nfs/dbraw/zinc/26/48/46/558264846.db2.gz SPSQFFULTQDCRE-UHFFFAOYSA-N -1 0 422.256 3.807 50 0 HHAARM CC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)cc1 ZINC000020722152 558403483 /nfs/dbraw/zinc/40/34/83/558403483.db2.gz ZTQFWMUPWPFVKA-NRFANRHFSA-N -1 0 411.889 3.972 50 0 HHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Sc1nncn1C ZINC000012789685 558464724 /nfs/dbraw/zinc/46/47/24/558464724.db2.gz RPPYBRPDKNGDAG-UHFFFAOYSA-N -1 0 412.899 3.868 50 0 HHAARM C[C@H](SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)C(=O)Nc1cccc(Cl)c1 ZINC000012868345 558482082 /nfs/dbraw/zinc/48/20/82/558482082.db2.gz CECFKIGPQZTEMT-LBPRGKRZSA-N -1 0 415.902 3.839 50 0 HHAARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000109656172 558782851 /nfs/dbraw/zinc/78/28/51/558782851.db2.gz CESIRSTWILZTFW-GJZGRUSLSA-N -1 0 409.825 3.725 50 0 HHAARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@H](C(=O)[O-])C1 ZINC000017082480 558814552 /nfs/dbraw/zinc/81/45/52/558814552.db2.gz HMUFGBIGWBOOGP-HUUCEWRRSA-N -1 0 402.516 3.515 50 0 HHAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017082867 558815223 /nfs/dbraw/zinc/81/52/23/558815223.db2.gz KDJSMHNUTKJPSF-LBPRGKRZSA-N -1 0 404.488 3.589 50 0 HHAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017089223 558817898 /nfs/dbraw/zinc/81/78/98/558817898.db2.gz PVFSCEJMKFTQQV-CVEARBPZSA-N -1 0 412.511 3.990 50 0 HHAARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S ZINC000069978745 558890283 /nfs/dbraw/zinc/89/02/83/558890283.db2.gz BAIWQOSBNRAJOY-XFFZJAGNSA-N -1 0 404.282 3.654 50 0 HHAARM Cc1nc(C(F)(F)F)nc(N2CCC(C[C@@H]3CCCCO3)(C(=O)[O-])CC2)c1C ZINC000071776573 558911684 /nfs/dbraw/zinc/91/16/84/558911684.db2.gz AJHHXEDHVONQPT-AWEZNQCLSA-N -1 0 401.429 3.743 50 0 HHAARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000033253443 558921531 /nfs/dbraw/zinc/92/15/31/558921531.db2.gz GCIYMSBGKMCEEL-UHFFFAOYSA-N -1 0 406.479 3.869 50 0 HHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263931 558969118 /nfs/dbraw/zinc/96/91/18/558969118.db2.gz KHXOVSJMSVGYJU-UHFFFAOYSA-N -1 0 415.349 3.713 50 0 HHAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263922 558969159 /nfs/dbraw/zinc/96/91/59/558969159.db2.gz WASAGDCWOLLBSX-UHFFFAOYSA-N -1 0 416.333 3.525 50 0 HHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263934 558969387 /nfs/dbraw/zinc/96/93/87/558969387.db2.gz LBPJDQCGNASQGX-UHFFFAOYSA-N -1 0 416.333 3.541 50 0 HHAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(I)cc1 ZINC000072414262 558977903 /nfs/dbraw/zinc/97/79/03/558977903.db2.gz KLLVQHGHBFIBTE-UHFFFAOYSA-N -1 0 410.236 3.640 50 0 HHAARM [O-]c1c([C@@H](c2cccc(F)c2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031256 558985496 /nfs/dbraw/zinc/98/54/96/558985496.db2.gz IZYUABCODVDGLV-LJQANCHMSA-N -1 0 423.517 3.543 50 0 HHAARM O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cccc(F)c1)CC2 ZINC000067790594 558992932 /nfs/dbraw/zinc/99/29/32/558992932.db2.gz AARZUJSMXSXDSR-UHFFFAOYSA-N -1 0 407.445 3.552 50 0 HHAARM O=C(Nc1cc(F)cc(F)c1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097124291 558995851 /nfs/dbraw/zinc/99/58/51/558995851.db2.gz ITHOZLOAHVBEQT-UHFFFAOYSA-N -1 0 421.407 3.558 50 0 HHAARM O=C(c1ccccc1Cl)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097137791 558996546 /nfs/dbraw/zinc/99/65/46/558996546.db2.gz JJUVWHIIJDLYOE-UHFFFAOYSA-N -1 0 404.857 3.542 50 0 HHAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)c1 ZINC000023157938 559022482 /nfs/dbraw/zinc/02/24/82/559022482.db2.gz GLJNIMKVGYZRBZ-LJQANCHMSA-N -1 0 406.511 3.961 50 0 HHAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCc4ccccc4Cl)c(=O)n1c23 ZINC000100663077 559137586 /nfs/dbraw/zinc/13/75/86/559137586.db2.gz PZEVZXWJGSJMAL-LLVKDONJSA-N -1 0 400.837 3.937 50 0 HHAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCc4ccccc4Cl)c(=O)n1c23 ZINC000100663073 559137587 /nfs/dbraw/zinc/13/75/87/559137587.db2.gz PZEVZXWJGSJMAL-NSHDSACASA-N -1 0 400.837 3.937 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000014224707 559158296 /nfs/dbraw/zinc/15/82/96/559158296.db2.gz RFNXEXPWXMCNNP-UHFFFAOYSA-N -1 0 412.515 3.616 50 0 HHAARM O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100326488 559194163 /nfs/dbraw/zinc/19/41/63/559194163.db2.gz XTJVRXCUQFBXTL-UHFFFAOYSA-N -1 0 410.298 3.601 50 0 HHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)c1 ZINC000004937368 559212186 /nfs/dbraw/zinc/21/21/86/559212186.db2.gz XQWGCTCMTJZRHI-UHFFFAOYSA-N -1 0 409.467 3.819 50 0 HHAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)c2)nn1 ZINC000005150726 559253623 /nfs/dbraw/zinc/25/36/23/559253623.db2.gz RMLFFOSUUCYSHI-UHFFFAOYSA-N -1 0 413.499 3.969 50 0 HHAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 ZINC000248072230 559275096 /nfs/dbraw/zinc/27/50/96/559275096.db2.gz ACJMSTQVVQYGQW-RDPSFJRHSA-N -1 0 403.482 3.570 50 0 HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000974226 560180218 /nfs/dbraw/zinc/18/02/18/560180218.db2.gz QEPKJDWRLSGDDS-GJZGRUSLSA-N -1 0 410.392 3.701 50 0 biogenic,in-vitro HHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1OC ZINC000061721151 560537024 /nfs/dbraw/zinc/53/70/24/560537024.db2.gz WMPRWXQBXZCNBG-ZDUSSCGKSA-N -1 0 410.401 3.806 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CCCC)C(=O)[O-])ccc12 ZINC000002104694 560559031 /nfs/dbraw/zinc/55/90/31/560559031.db2.gz UHSRJKCFZQLKAL-QGZVFWFLSA-N -1 0 403.475 3.582 50 0 biogenic HHAARM C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)C(=O)[O-] ZINC000002229682 560559417 /nfs/dbraw/zinc/55/94/17/560559417.db2.gz OGHJGDRWQAWQJZ-GFCCVEGCSA-N -1 0 400.525 3.950 50 0 HHAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000008977158 560640470 /nfs/dbraw/zinc/64/04/70/560640470.db2.gz VUNWUIWEIJFUFN-UHFFFAOYSA-N -1 0 416.886 3.932 50 0 HHAARM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)/C=C/c1ccccc1 ZINC000002830842 560732375 /nfs/dbraw/zinc/73/23/75/560732375.db2.gz QULKIENXDUQOBF-RMKNXTFCSA-N -1 0 405.273 3.674 50 0 HHAARM O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101053463 560767869 /nfs/dbraw/zinc/76/78/69/560767869.db2.gz IPOZLQDLACFQCJ-HIFRSBDPSA-N -1 0 423.625 3.534 50 0 HHAARM CCOc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1 ZINC000101722369 560798822 /nfs/dbraw/zinc/79/88/22/560798822.db2.gz CYSZTACJPPHBCT-UHFFFAOYSA-N -1 0 419.412 3.881 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3C)c([O-])c3cccnc32)cc1 ZINC000101723459 560799201 /nfs/dbraw/zinc/79/92/01/560799201.db2.gz QUPLKNHOMONGEO-UHFFFAOYSA-N -1 0 401.422 3.661 50 0 HHAARM CCc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(OC)cc3)c2=O)c1 ZINC000101723446 560799206 /nfs/dbraw/zinc/79/92/06/560799206.db2.gz LOMHZKAPSQIKTG-UHFFFAOYSA-N -1 0 415.449 3.915 50 0 HHAARM O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000101797434 560801858 /nfs/dbraw/zinc/80/18/58/560801858.db2.gz YMVFPCQPSARHRW-SFHVURJKSA-N -1 0 421.432 3.667 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000101835512 560803308 /nfs/dbraw/zinc/80/33/08/560803308.db2.gz KPJLLHSFIWIDPQ-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 ZINC000101836591 560803699 /nfs/dbraw/zinc/80/36/99/560803699.db2.gz CCXCXVNVQVFDST-GOSISDBHSA-N -1 0 404.426 3.518 50 0 HHAARM COc1cccc(CNC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c1 ZINC000102621906 560818289 /nfs/dbraw/zinc/81/82/89/560818289.db2.gz UEBWQBZBUWESKP-UHFFFAOYSA-N -1 0 400.434 3.635 50 0 HHAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Cl)c1 ZINC000102810708 560829318 /nfs/dbraw/zinc/82/93/18/560829318.db2.gz SCKUWCSYDRLBOY-GOSISDBHSA-N -1 0 424.844 3.781 50 0 HHAARM O=C(NCc1cccc(Cl)c1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301801 560851409 /nfs/dbraw/zinc/85/14/09/560851409.db2.gz RNBQHSCMGLIAAS-UHFFFAOYSA-N -1 0 405.841 3.675 50 0 HHAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2ccccc2OC)CC(=O)N3)c1 ZINC000049543367 568451108 /nfs/dbraw/zinc/45/11/08/568451108.db2.gz BUNWJASJYIEWHO-HNNXBMFYSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM O=C([O-])[C@H](CSCc1ccccc1)NC(=O)CCn1ccc2ccc(F)cc21 ZINC000012324920 568471914 /nfs/dbraw/zinc/47/19/14/568471914.db2.gz DRYNBEFDMJQSRZ-SFHVURJKSA-N -1 0 400.475 3.673 50 0 HHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(Cl)ccc1Cl ZINC000000790598 568478805 /nfs/dbraw/zinc/47/88/05/568478805.db2.gz DSSSFKJOBYPZBF-MRXNPFEDSA-N -1 0 407.253 3.666 50 0 biogenic HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000020215757 568594777 /nfs/dbraw/zinc/59/47/77/568594777.db2.gz NMURZSRHNBTVLE-IAGOWNOFSA-N -1 0 402.376 3.761 50 0 HHAARM O=C([O-])[C@H](CNC(=O)c1ccccc1Cn1cccn1)Cc1ccc2ccccc2c1 ZINC000095463927 568622358 /nfs/dbraw/zinc/62/23/58/568622358.db2.gz XEKHCWHAIXFKEN-QFIPXVFZSA-N -1 0 413.477 3.758 50 0 HHAARM COC(=O)C[C@@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(C)[nH][nH]c1=O ZINC000095475430 568629723 /nfs/dbraw/zinc/62/97/23/568629723.db2.gz YBXOUTMYXRFZOM-LBPRGKRZSA-N -1 0 404.806 3.730 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225504334 568644177 /nfs/dbraw/zinc/64/41/77/568644177.db2.gz KLPSZSPNNKVWNO-LJQANCHMSA-N -1 0 408.845 3.826 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)s2)on1 ZINC000020994768 568656447 /nfs/dbraw/zinc/65/64/47/568656447.db2.gz XIIUZYUXPJQZHX-UHFFFAOYSA-N -1 0 420.468 3.583 50 0 HHAARM O=C([O-])[C@@H](CNC(=O)CCc1nc(C2CCCC2)no1)Cc1ccc2ccccc2c1 ZINC000095989525 568677621 /nfs/dbraw/zinc/67/76/21/568677621.db2.gz HDYXNYLMQVVURT-HXUWFJFHSA-N -1 0 421.497 3.873 50 0 HHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)o1 ZINC000096379578 568741127 /nfs/dbraw/zinc/74/11/27/568741127.db2.gz ZTFXFDIJZPEHDT-UHFFFAOYSA-N -1 0 416.381 3.689 50 0 HHAARM Cc1cc(=O)n2nc(CN(C(=O)CCc3ccccc3)c3ccc(Cl)cc3)[n-]c2n1 ZINC000086066760 568755235 /nfs/dbraw/zinc/75/52/35/568755235.db2.gz FZHYHSLVUGYRSJ-UHFFFAOYSA-N -1 0 421.888 3.545 50 0 HHAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022609714 568771648 /nfs/dbraw/zinc/77/16/48/568771648.db2.gz IETXUKOOJJHCNP-GOSISDBHSA-N -1 0 409.490 3.547 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C)n2)ccc1C ZINC000028194862 568781977 /nfs/dbraw/zinc/78/19/77/568781977.db2.gz GJWDBJIQLHMHPB-UHFFFAOYSA-N -1 0 411.483 3.760 50 0 HHAARM O=C([O-])/C=C/c1cccc(NC(=S)NC(=O)c2ccc(Br)cc2)c1 ZINC000226323141 568805560 /nfs/dbraw/zinc/80/55/60/568805560.db2.gz RGLRTDCLXJQYTK-RUDMXATFSA-N -1 0 405.273 3.674 50 0 HHAARM COc1ccccc1CNC(=O)CCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925494 568817362 /nfs/dbraw/zinc/81/73/62/568817362.db2.gz KQNKMYUHYKMPFS-UHFFFAOYSA-N -1 0 403.529 3.616 50 0 HHAARM CC(C)C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002948520 568820296 /nfs/dbraw/zinc/82/02/96/568820296.db2.gz MAORSCWMXCIWTC-CWDSQJGSSA-N -1 0 414.889 3.726 50 0 HHAARM CC(C)c1ccc(CN(C(=O)c2cccc(-n3[n-]c(=O)ccc3=O)c2)C2CC2)cc1 ZINC000057265193 568825186 /nfs/dbraw/zinc/82/51/86/568825186.db2.gz MMCGAGFXBGFBCH-UHFFFAOYSA-N -1 0 403.482 3.866 50 0 HHAARM Nc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)[n-]c1=O ZINC000006017233 568835465 /nfs/dbraw/zinc/83/54/65/568835465.db2.gz SXXAFTCPUMINGO-UHFFFAOYSA-N -1 0 422.297 3.864 50 0 HHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)c1C ZINC000012539047 568846543 /nfs/dbraw/zinc/84/65/43/568846543.db2.gz DCSYBMLMSKRLGJ-UHFFFAOYSA-N -1 0 417.512 3.687 50 0 HHAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000057531286 568852162 /nfs/dbraw/zinc/85/21/62/568852162.db2.gz VWMSGKXXLKFYFK-JMSVASOKSA-N -1 0 404.797 3.505 50 0 HHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c(OC)c1 ZINC000003368303 568857522 /nfs/dbraw/zinc/85/75/22/568857522.db2.gz UACOJRAYRSZNGT-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc3ccccc3c2)cc1OC ZINC000003622917 568864437 /nfs/dbraw/zinc/86/44/37/568864437.db2.gz SZQXQHPFXQKHLB-HXUWFJFHSA-N -1 0 423.465 3.958 50 0 HHAARM COc1ccc(C(=O)N2CCCC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012605215 568870951 /nfs/dbraw/zinc/87/09/51/568870951.db2.gz LKXWOJPVALDATR-INIZCTEOSA-N -1 0 402.516 3.819 50 0 HHAARM COc1ccc(C(=O)N2CCCC[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012605217 568871051 /nfs/dbraw/zinc/87/10/51/568871051.db2.gz LKXWOJPVALDATR-MRXNPFEDSA-N -1 0 402.516 3.819 50 0 HHAARM COc1ccc(N2C(=O)C[C@H](c3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)C2=O)cc1 ZINC000299804146 568876888 /nfs/dbraw/zinc/87/68/88/568876888.db2.gz CLMRRTRHVAXITA-QGZVFWFLSA-N -1 0 411.845 3.595 50 0 HHAARM O=C(Nc1ccc(F)c(F)c1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000012627887 568881391 /nfs/dbraw/zinc/88/13/91/568881391.db2.gz CEUOVTKOWCZSJC-UHFFFAOYSA-N -1 0 401.441 3.536 50 0 HHAARM COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1c([O-])c2ccccc2oc1=O ZINC000217829411 568914735 /nfs/dbraw/zinc/91/47/35/568914735.db2.gz RGTOSLBSCPJQAN-GFCCVEGCSA-N -1 0 402.786 3.576 50 0 biogenic HHAARM Cc1cc(Br)c([O-])c(C(=O)NCc2ccnc(N3CCCCC3)c2)c1 ZINC000084074630 568935666 /nfs/dbraw/zinc/93/56/66/568935666.db2.gz RLTWVNHWOIEUDK-UHFFFAOYSA-N -1 0 404.308 3.778 50 0 HHAARM O=C([O-])[C@H](CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1 ZINC000012774563 568953809 /nfs/dbraw/zinc/95/38/09/568953809.db2.gz ZXZSNVGTWXFAFN-LJQANCHMSA-N -1 0 404.470 3.869 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000015728429 568979240 /nfs/dbraw/zinc/97/92/40/568979240.db2.gz BPZRRTOEVIDMAB-UHFFFAOYSA-N -1 0 422.528 3.719 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730487 568981015 /nfs/dbraw/zinc/98/10/15/568981015.db2.gz GEUXTPXJZYSEJT-JTQLQIEISA-N -1 0 412.920 3.972 50 0 HHAARM Cc1ccc(C[C@H](CC(=O)[O-])C(=O)Nc2ccccc2I)cc1 ZINC000008398042 568999534 /nfs/dbraw/zinc/99/95/34/568999534.db2.gz VPBLKFOYKFKRIT-CQSZACIVSA-N -1 0 423.250 3.872 50 0 HHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccccc1Cl)CC2 ZINC000015781936 569002865 /nfs/dbraw/zinc/00/28/65/569002865.db2.gz VWTSKKBXCGNKMC-MRXNPFEDSA-N -1 0 404.850 3.963 50 0 HHAARM Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC000012857110 569011099 /nfs/dbraw/zinc/01/10/99/569011099.db2.gz PSKLLFKVGZNHNH-UHFFFAOYSA-N -1 0 400.481 3.568 50 0 HHAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000261340538 569039384 /nfs/dbraw/zinc/03/93/84/569039384.db2.gz RHCPKKNRWFXMAT-YVFKTTGMSA-N -1 0 406.563 3.657 50 0 HHAARM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000229686271 569040601 /nfs/dbraw/zinc/04/06/01/569040601.db2.gz JKPNAPSLYBTZHJ-IERDGZPVSA-N -1 0 408.454 3.669 50 0 HHAARM CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 ZINC000035507676 569040947 /nfs/dbraw/zinc/04/09/47/569040947.db2.gz FMYMIJHMORLRQV-QGZVFWFLSA-N -1 0 409.833 3.557 50 0 HHAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000001737564 569041675 /nfs/dbraw/zinc/04/16/75/569041675.db2.gz KWYQARXQKGXRPM-INIZCTEOSA-N -1 0 423.465 3.989 50 0 biogenic HHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000006364542 569045999 /nfs/dbraw/zinc/04/59/99/569045999.db2.gz LGGNDHFDPUAKIK-UHFFFAOYSA-N -1 0 409.463 3.765 50 0 HHAARM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1cccs1 ZINC000013006501 569049701 /nfs/dbraw/zinc/04/97/01/569049701.db2.gz DYSBADLWEHYUPP-UHFFFAOYSA-N -1 0 410.471 3.812 50 0 HHAARM CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c([O-])c1C ZINC000013373334 569052018 /nfs/dbraw/zinc/05/20/18/569052018.db2.gz ZOIAPLVBZQQHCG-UHFFFAOYSA-N -1 0 402.443 3.635 50 0 HHAARM CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737572 569060372 /nfs/dbraw/zinc/06/03/72/569060372.db2.gz LWRDLHJGJHYCHO-FOIQADDNSA-N -1 0 423.465 3.843 50 0 biogenic HHAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000006510483 569062098 /nfs/dbraw/zinc/06/20/98/569062098.db2.gz VTQUXUZWWVIEBR-UHFFFAOYSA-N -1 0 402.422 3.696 50 0 HHAARM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000006553278 569065532 /nfs/dbraw/zinc/06/55/32/569065532.db2.gz ASBIEBLNDKICPK-UHFFFAOYSA-N -1 0 417.512 3.578 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000064580635 569068540 /nfs/dbraw/zinc/06/85/40/569068540.db2.gz XABZQEQBCKLDSQ-OAHLLOKOSA-N -1 0 418.515 3.821 50 0 HHAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])c1 ZINC000064589629 569069071 /nfs/dbraw/zinc/06/90/71/569069071.db2.gz QXOLBEKZCMYQFL-UHFFFAOYSA-N -1 0 416.481 3.667 50 0 HHAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Br)s1 ZINC000016689830 569070539 /nfs/dbraw/zinc/07/05/39/569070539.db2.gz RHBLMKARYLMXBW-UHFFFAOYSA-N -1 0 417.306 3.937 50 0 HHAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cc1Cl ZINC000005626411 569072013 /nfs/dbraw/zinc/07/20/13/569072013.db2.gz LADHZATZQXXRDS-UHFFFAOYSA-N -1 0 407.282 3.870 50 0 HHAARM Cc1cc2oc(=O)c(CC(=O)N[C@@H](C)C(=O)[O-])c(C)c2c2occ(-c3ccccc3)c21 ZINC000006623985 569075418 /nfs/dbraw/zinc/07/54/18/569075418.db2.gz JEATWHXZNQZZJP-AWEZNQCLSA-N -1 0 419.433 3.955 50 0 biogenic HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2cccc(F)c2)c1 ZINC000006646444 569079246 /nfs/dbraw/zinc/07/92/46/569079246.db2.gz STJVUWDDMNODAY-UHFFFAOYSA-N -1 0 414.458 3.816 50 0 HHAARM O=C([O-])c1sc2c(c1-c1ccccc1F)NC(=O)C[C@]21C(=O)Nc2ccccc21 ZINC000036357530 569148918 /nfs/dbraw/zinc/14/89/18/569148918.db2.gz PLBUTBWIGOPQQC-OAQYLSRUSA-N -1 0 408.410 3.833 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc(OC)c1 ZINC000065060182 569163949 /nfs/dbraw/zinc/16/39/49/569163949.db2.gz SGZAZZXYPZZNMZ-UHFFFAOYSA-N -1 0 420.512 3.945 50 0 HHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000065115952 569179694 /nfs/dbraw/zinc/17/96/94/569179694.db2.gz KFTLFGIMOXKUFR-UHFFFAOYSA-N -1 0 419.434 3.557 50 0 HHAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)n1 ZINC000065194573 569192799 /nfs/dbraw/zinc/19/27/99/569192799.db2.gz NQWSZBRVHWCYJQ-UHFFFAOYSA-N -1 0 412.874 3.848 50 0 HHAARM O=S(=O)([N-]c1ccc(Br)c(O)c1)c1cc(Cl)cc2c1OCC2 ZINC000170617696 569247843 /nfs/dbraw/zinc/24/78/43/569247843.db2.gz YJBAGTAVKTUZSW-UHFFFAOYSA-N -1 0 404.669 3.544 50 0 HHAARM CCCCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c([O-])c2ccccc21 ZINC000170624622 569249505 /nfs/dbraw/zinc/24/95/05/569249505.db2.gz XLBBGIJNICFGPA-UHFFFAOYSA-N -1 0 414.483 3.998 50 0 HHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCC[C@H]4C(=O)[O-])c(C)c3cc2c1C ZINC000002155196 569290259 /nfs/dbraw/zinc/29/02/59/569290259.db2.gz KNLJETCZJCLZFT-SFHVURJKSA-N -1 0 411.454 3.863 50 0 biogenic HHAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002156156 569290371 /nfs/dbraw/zinc/29/03/71/569290371.db2.gz HTBWBIHOCOVAKE-DGIBIBHMSA-N -1 0 413.470 3.931 50 0 biogenic HHAARM Cc1cc2ccccc2n1CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000170672608 569297808 /nfs/dbraw/zinc/29/78/08/569297808.db2.gz SGQOMVQKRRKECF-NRFANRHFSA-N -1 0 419.481 3.668 50 0 HHAARM O=C([O-])CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 ZINC000002270843 569326503 /nfs/dbraw/zinc/32/65/03/569326503.db2.gz HUWPFIVTOQXZNA-UHFFFAOYSA-N -1 0 400.525 3.952 50 0 HHAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(OCCC(C)C)cc2)cc1 ZINC000002272241 569327530 /nfs/dbraw/zinc/32/75/30/569327530.db2.gz OUGXRQXMRLELMB-FQEVSTJZSA-N -1 0 405.516 3.914 50 0 HHAARM COC(=O)c1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253411923 569366658 /nfs/dbraw/zinc/36/66/58/569366658.db2.gz PHNCUILOSDPKJN-SFHVURJKSA-N -1 0 402.402 3.851 50 0 biogenic HHAARM COc1ccc([C@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471523 569381057 /nfs/dbraw/zinc/38/10/57/569381057.db2.gz URJPQDLQUQBJLY-INIZCTEOSA-N -1 0 413.401 3.668 50 0 HHAARM CC(=O)c1cccc(NC(=O)Nc2ccc3sc([N-]S(C)(=O)=O)nc3c2)c1 ZINC000013347403 569410666 /nfs/dbraw/zinc/41/06/66/569410666.db2.gz AICGWJJLCKYWLB-UHFFFAOYSA-N -1 0 404.473 3.514 50 0 HHAARM CC(C)CNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361436 569411819 /nfs/dbraw/zinc/41/18/19/569411819.db2.gz GXLPSKKDPNBOAK-UHFFFAOYSA-N -1 0 404.517 3.875 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000067245491 571054002 /nfs/dbraw/zinc/05/40/02/571054002.db2.gz SSOCSOYASQBXIL-UHFFFAOYSA-N -1 0 424.404 3.790 50 0 HHAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1cc(F)ccc1F ZINC000008673187 571100755 /nfs/dbraw/zinc/10/07/55/571100755.db2.gz HSNUAJXCUMQCTA-UHFFFAOYSA-N -1 0 418.421 3.632 50 0 HHAARM [O-]C(c1cccs1)=C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000008763665 571114656 /nfs/dbraw/zinc/11/46/56/571114656.db2.gz AKEUCVWDCLRVMV-SLEUVZQESA-N -1 0 420.865 3.670 50 0 HHAARM C[C@H](Cc1ccccc1Cl)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000040112101 571170160 /nfs/dbraw/zinc/17/01/60/571170160.db2.gz NEXWTFASXPZEPW-CYBMUJFWSA-N -1 0 401.919 3.850 50 0 HHAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)OC(C)C)C(F)(F)F ZINC000008974820 571197848 /nfs/dbraw/zinc/19/78/48/571197848.db2.gz FEZKLEQGWRYKGZ-HNNXBMFYSA-N -1 0 405.398 3.665 50 0 HHAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)NCCc1ccccc1 ZINC000008978879 571198190 /nfs/dbraw/zinc/19/81/90/571198190.db2.gz XIDGITDPDRXJEA-UHFFFAOYSA-N -1 0 415.540 3.533 50 0 HHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165874 571232506 /nfs/dbraw/zinc/23/25/06/571232506.db2.gz KLOXUGZIBVFGSY-UHFFFAOYSA-N -1 0 424.906 3.531 50 0 HHAARM CCN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2OCC(C)(C)C1=O ZINC000009166326 571232727 /nfs/dbraw/zinc/23/27/27/571232727.db2.gz FYQIGZBMFXCAKL-UHFFFAOYSA-N -1 0 414.936 3.974 50 0 HHAARM CCCN1c2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2OCC(C)(C)C1=O ZINC000009171741 571233851 /nfs/dbraw/zinc/23/38/51/571233851.db2.gz WDZQSVORDBVSGE-UHFFFAOYSA-N -1 0 424.469 3.927 50 0 HHAARM CC(C)CN1c2cc([N-]S(=O)(=O)c3cccs3)ccc2OCC(C)(C)C1=O ZINC000009172415 571234104 /nfs/dbraw/zinc/23/41/04/571234104.db2.gz UCSWOPSXNQBSTG-UHFFFAOYSA-N -1 0 408.545 3.957 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009419057 571256559 /nfs/dbraw/zinc/25/65/59/571256559.db2.gz VYRZMBUOQAWYHN-SFHVURJKSA-N -1 0 409.511 3.881 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2OC)cc1 ZINC000009511925 571264179 /nfs/dbraw/zinc/26/41/79/571264179.db2.gz HLIMXZQWBBJUIH-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000009518178 571265488 /nfs/dbraw/zinc/26/54/88/571265488.db2.gz UIBYTLXGSOAIFL-UHFFFAOYSA-N -1 0 424.526 3.912 50 0 HHAARM COc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1Cl ZINC000009529604 571266660 /nfs/dbraw/zinc/26/66/60/571266660.db2.gz IIXJOQDXQHMWGZ-LBPRGKRZSA-N -1 0 421.906 3.726 50 0 HHAARM COc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(O)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000009597275 571272456 /nfs/dbraw/zinc/27/24/56/571272456.db2.gz IXRJRHLXYDDGGR-UHFFFAOYSA-N -1 0 421.409 3.722 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)on1 ZINC000009637936 571275300 /nfs/dbraw/zinc/27/53/00/571275300.db2.gz KCQLVVVOGBIUCA-UHFFFAOYSA-N -1 0 416.455 3.636 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)s2)on1 ZINC000009688880 571280186 /nfs/dbraw/zinc/28/01/86/571280186.db2.gz VHEZYILZATZYKW-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM CC(=O)Nc1nc(SCc2ccccc2C)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000009704243 571280706 /nfs/dbraw/zinc/28/07/06/571280706.db2.gz WVPMHFDOZLFKGV-UHFFFAOYSA-N -1 0 414.512 3.643 50 0 HHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1 ZINC000009828709 571287041 /nfs/dbraw/zinc/28/70/41/571287041.db2.gz WKZSPLVRXOJIMI-UHFFFAOYSA-N -1 0 407.904 3.779 50 0 HHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000021664278 571315018 /nfs/dbraw/zinc/31/50/18/571315018.db2.gz CFINFCQIQUSYCD-UHFFFAOYSA-N -1 0 410.499 3.764 50 0 HHAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000009455058 132340084 /nfs/dbraw/zinc/34/00/84/132340084.db2.gz PHIDWNJHIBEKBV-WJDWOHSUSA-N -1 0 419.359 3.683 50 0 HHAARM O=C([O-])COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000012549176 132362938 /nfs/dbraw/zinc/36/29/38/132362938.db2.gz IBIQGFDTXGUXKK-QFIPXVFZSA-N -1 0 418.405 3.650 50 0 HHAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c3)CC2)cc1 ZINC000045967713 518350604 /nfs/dbraw/zinc/35/06/04/518350604.db2.gz UIQNUFBDUBBKQA-UHFFFAOYSA-N -1 0 423.513 3.899 50 0 HHAARM CC(=O)c1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000032448986 518364205 /nfs/dbraw/zinc/36/42/05/518364205.db2.gz MRCKADJHICHNHS-UHFFFAOYSA-N -1 0 414.508 3.933 50 0 HHAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])CC1 ZINC000032962072 521043821 /nfs/dbraw/zinc/04/38/21/521043821.db2.gz TZTDTRBNNJKTSQ-UHFFFAOYSA-N -1 0 410.442 3.700 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)NCCSc2ccc(C)c(C)c2)c1 ZINC000032889561 521690198 /nfs/dbraw/zinc/69/01/98/521690198.db2.gz OCQPGTMIBPYBHV-UHFFFAOYSA-N -1 0 408.545 3.716 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(C)cs2)cc1 ZINC000032904483 525089606 /nfs/dbraw/zinc/08/96/06/525089606.db2.gz XVTUADUAKLVULC-UHFFFAOYSA-N -1 0 403.485 3.513 50 0 HHAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nccc(C(F)(F)F)n3)c12 ZINC000032903562 525667672 /nfs/dbraw/zinc/66/76/72/525667672.db2.gz NGWHWZHWTDPHQC-UHFFFAOYSA-N -1 0 401.391 3.697 50 0 HHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000032776751 526170271 /nfs/dbraw/zinc/17/02/71/526170271.db2.gz MZDCWXGLYARLIN-UHFFFAOYSA-N -1 0 423.416 3.636 50 0 HHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)c(Br)s1 ZINC000032586126 526355324 /nfs/dbraw/zinc/35/53/24/526355324.db2.gz FCBUJAQLLDKERQ-UHFFFAOYSA-N -1 0 414.661 3.802 50 0 HHAARM O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000040267625 527038127 /nfs/dbraw/zinc/03/81/27/527038127.db2.gz HHZQABCGNKLLEA-HXUWFJFHSA-N -1 0 411.387 3.636 50 0 HHAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000002532712 536946453 /nfs/dbraw/zinc/94/64/53/536946453.db2.gz MLQBKKDOVITPQI-VXKWHMMOSA-N -1 0 417.417 3.994 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000000682273 557056203 /nfs/dbraw/zinc/05/62/03/557056203.db2.gz HGHSHWYLTBCYRB-UHFFFAOYSA-N -1 0 410.499 3.763 50 0 HHAARM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000888838 557111728 /nfs/dbraw/zinc/11/17/28/557111728.db2.gz WBIJONNKUYWERW-UHFFFAOYSA-N -1 0 417.512 3.983 50 0 HHAARM COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000001021635 557144180 /nfs/dbraw/zinc/14/41/80/557144180.db2.gz NVVGDKYJERSVKV-XSFVSMFZSA-N -1 0 416.433 3.803 50 0 biogenic HHAARM O=C([O-])CC1(CC(=O)Nc2ccc(I)cc2F)CCCC1 ZINC000001041530 557153771 /nfs/dbraw/zinc/15/37/71/557153771.db2.gz QCHMHFSXDIHRGG-UHFFFAOYSA-N -1 0 405.207 3.794 50 0 HHAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC2(CC1)OCCO2 ZINC000001081432 557175760 /nfs/dbraw/zinc/17/57/60/557175760.db2.gz JACJNSRYTDVVMR-UHFFFAOYSA-N -1 0 423.465 3.666 50 0 HHAARM CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000001156079 557213713 /nfs/dbraw/zinc/21/37/13/557213713.db2.gz ALOBHKZKIFYQSA-OLJONYEBSA-N -1 0 409.441 3.956 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000001167133 557221851 /nfs/dbraw/zinc/22/18/51/557221851.db2.gz JULDJLOQXHJMIX-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM CCOc1ccc(NC(=S)N2[C@@H](C(=O)[O-])Cc3[nH]cnc3[C@H]2c2ccccc2)cc1 ZINC000022628251 557271470 /nfs/dbraw/zinc/27/14/70/557271470.db2.gz XZAMAKCMQACMRJ-UYAOXDASSA-N -1 0 422.510 3.606 50 0 HHAARM CCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002215841 557327502 /nfs/dbraw/zinc/32/75/02/557327502.db2.gz QLKGXNSCFITYSM-UHFFFAOYSA-N -1 0 414.516 3.647 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)[O-] ZINC000002562519 557356766 /nfs/dbraw/zinc/35/67/66/557356766.db2.gz FATGZMFSCKUQGO-HNNXBMFYSA-N -1 0 404.463 3.945 50 0 HHAARM Nc1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])ccc1O ZINC000002582999 557358372 /nfs/dbraw/zinc/35/83/72/557358372.db2.gz DNIZNEVDYHGUPY-NRFANRHFSA-N -1 0 418.449 3.509 50 0 HHAARM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000002765633 557382446 /nfs/dbraw/zinc/38/24/46/557382446.db2.gz ICUGHPCUONNOFJ-UHFFFAOYSA-N -1 0 418.405 3.676 50 0 HHAARM Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000003635181 557495711 /nfs/dbraw/zinc/49/57/11/557495711.db2.gz LDDJBMPSZLFYJZ-OLJONYEBSA-N -1 0 409.441 3.630 50 0 HHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2cccc(Br)c2)C1=O ZINC000004371636 557548066 /nfs/dbraw/zinc/54/80/66/557548066.db2.gz DSAMXEIKHRKNID-AWEZNQCLSA-N -1 0 406.257 3.572 50 0 HHAARM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NC1CCCC1 ZINC000002973734 557775863 /nfs/dbraw/zinc/77/58/63/557775863.db2.gz BDONZFOJXXDCAN-UHFFFAOYSA-N -1 0 410.337 3.661 50 0 HHAARM CCOc1cc2c(cc1/C=C1\CCn3c1nc1cc(C(=O)[O-])ccc1c3=O)O[C@@H](C)C2 ZINC000008718147 557801805 /nfs/dbraw/zinc/80/18/05/557801805.db2.gz MVTRBRDZDRKGSV-FYQHACEVSA-N -1 0 418.449 3.761 50 0 HHAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000008901280 557813419 /nfs/dbraw/zinc/81/34/19/557813419.db2.gz GVOZMWNOSSHCPH-UHFFFAOYSA-N -1 0 417.268 3.663 50 0 HHAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CSc1ncccn1 ZINC000009087999 557822607 /nfs/dbraw/zinc/82/26/07/557822607.db2.gz HMRLWRBYAKKORT-UHFFFAOYSA-N -1 0 408.443 3.620 50 0 HHAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1ccc2ccccc2c1 ZINC000013479656 558534203 /nfs/dbraw/zinc/53/42/03/558534203.db2.gz DXFZJHNJWHVVRX-UHFFFAOYSA-N -1 0 417.490 3.950 50 0 HHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)c1 ZINC000023371473 558552942 /nfs/dbraw/zinc/55/29/42/558552942.db2.gz VHOQGZXECOBBCK-UHFFFAOYSA-N -1 0 421.478 3.867 50 0 HHAARM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000023394179 558556426 /nfs/dbraw/zinc/55/64/26/558556426.db2.gz BOYOLXPIYKUODD-UHFFFAOYSA-N -1 0 402.394 3.981 50 0 HHAARM CCCCc1c([O-])nc(SCC(=O)N2CCCCC2)n(-c2ccccc2C)c1=O ZINC000013775064 558592256 /nfs/dbraw/zinc/59/22/56/558592256.db2.gz DLZRHCAFXKOMMT-UHFFFAOYSA-N -1 0 415.559 3.694 50 0 HHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)c1 ZINC000024375517 558596426 /nfs/dbraw/zinc/59/64/26/558596426.db2.gz OAILHSGPERIANO-UHFFFAOYSA-N -1 0 411.512 3.624 50 0 HHAARM Cc1cnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)s1 ZINC000024926749 558621030 /nfs/dbraw/zinc/62/10/30/558621030.db2.gz LLPZBFQMAPUJFL-UHFFFAOYSA-N -1 0 405.476 3.952 50 0 HHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000025525008 558642668 /nfs/dbraw/zinc/64/26/68/558642668.db2.gz ZGFDTKJYIKITOM-LBPRGKRZSA-N -1 0 416.421 3.914 50 0 HHAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002501110 558776519 /nfs/dbraw/zinc/77/65/19/558776519.db2.gz YTLSLXBJQVQBSF-WMLDXEAASA-N -1 0 424.316 3.825 50 0 HHAARM COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)cc1 ZINC000016777165 558806384 /nfs/dbraw/zinc/80/63/84/558806384.db2.gz LCEGJGXUDLAFCT-UHFFFAOYSA-N -1 0 416.890 3.561 50 0 HHAARM CC(C)(C)c1ccc(C(=O)Nc2cc(=O)nc3[n-]c(Cc4ccccc4)nn32)cc1 ZINC000016995699 558811322 /nfs/dbraw/zinc/81/13/22/558811322.db2.gz PRZSZGNOYQZYBR-UHFFFAOYSA-N -1 0 401.470 3.971 50 0 HHAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017081942 558813961 /nfs/dbraw/zinc/81/39/61/558813961.db2.gz RVILCFUXZKBGNF-ZDUSSCGKSA-N -1 0 400.500 3.606 50 0 HHAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081990 558813965 /nfs/dbraw/zinc/81/39/65/558813965.db2.gz JWLSNJKUNIOSFV-CABCVRRESA-N -1 0 400.500 3.960 50 0 HHAARM COc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCC2 ZINC000017082400 558814462 /nfs/dbraw/zinc/81/44/62/558814462.db2.gz LGTSQQQWKRVXFA-UHFFFAOYSA-N -1 0 402.472 3.691 50 0 HHAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1nc2c(s1)C[C@@H](C)CC2 ZINC000017082529 558814675 /nfs/dbraw/zinc/81/46/75/558814675.db2.gz XRXCAWYLSKTQPA-LBPRGKRZSA-N -1 0 402.545 3.871 50 0 HHAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@H](C)C2 ZINC000017087442 558816305 /nfs/dbraw/zinc/81/63/05/558816305.db2.gz FVNWFVJGTYFRCU-QWHCGFSZSA-N -1 0 406.548 3.985 50 0 HHAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017089226 558817912 /nfs/dbraw/zinc/81/79/12/558817912.db2.gz PVFSCEJMKFTQQV-JKSUJKDBSA-N -1 0 412.511 3.990 50 0 HHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000017091530 558820109 /nfs/dbraw/zinc/82/01/09/558820109.db2.gz VLLUAGVDCRMXJZ-MVWHDRDWSA-N -1 0 418.559 3.828 50 0 HHAARM Cc1c2c(cc(=O)n1CCc1ccccc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000018116424 558831493 /nfs/dbraw/zinc/83/14/93/558831493.db2.gz CWLBYWBQCRLXAZ-UHFFFAOYSA-N -1 0 402.479 3.641 50 0 HHAARM CCc1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1 ZINC000000980619 558835753 /nfs/dbraw/zinc/83/57/53/558835753.db2.gz OYJLZPUKDQWXDT-XMHGGMMESA-N -1 0 418.474 3.991 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)c1 ZINC000033086423 558870989 /nfs/dbraw/zinc/87/09/89/558870989.db2.gz GEJAYDCLJCDQIB-UHFFFAOYSA-N -1 0 417.487 3.952 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)N3CCCC3)c(=O)c2cc1OCC ZINC000004657975 558872117 /nfs/dbraw/zinc/87/21/17/558872117.db2.gz LVIPZDATKHJGJH-UHFFFAOYSA-N -1 0 419.547 3.649 50 0 HHAARM CCCn1c(=O)oc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000033048761 558885839 /nfs/dbraw/zinc/88/58/39/558885839.db2.gz QXRMFZQBLVVVCT-UHFFFAOYSA-N -1 0 417.306 3.629 50 0 HHAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000097940935 558945866 /nfs/dbraw/zinc/94/58/66/558945866.db2.gz NSXCRVFUKXXMKE-UHFFFAOYSA-N -1 0 416.503 3.604 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C\c3ccccc3F)n2)cc1 ZINC000033424010 559190697 /nfs/dbraw/zinc/19/06/97/559190697.db2.gz DFHLVTUJDQUUTG-SREVYHEPSA-N -1 0 412.446 3.545 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2nccnc2c1 ZINC000408525646 559215517 /nfs/dbraw/zinc/21/55/17/559215517.db2.gz NMFYAWOAPSUDPT-IBGZPJMESA-N -1 0 408.845 3.826 50 0 HHAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cc(F)ccc1F ZINC000005144801 559252347 /nfs/dbraw/zinc/25/23/47/559252347.db2.gz PPMCZHLFZLHHIX-UHFFFAOYSA-N -1 0 416.453 3.823 50 0 HHAARM Cc1nc2scc(-c3cccc([N-]S(=O)(=O)c4cccs4)c3)n2c(=O)c1C ZINC000011791569 559259427 /nfs/dbraw/zinc/25/94/27/559259427.db2.gz FPOHPVFIYZQBKU-UHFFFAOYSA-N -1 0 417.537 3.902 50 0 HHAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866795 559264354 /nfs/dbraw/zinc/26/43/54/559264354.db2.gz TWXJEQAZBVNJCP-CKNLXJGOSA-N -1 0 403.475 3.518 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3ncnc4ccccc43)cc2)n1 ZINC000011990856 559269943 /nfs/dbraw/zinc/26/99/43/559269943.db2.gz NHYIZCSYQMTWFU-UHFFFAOYSA-N -1 0 406.471 3.581 50 0 HHAARM O=S(=O)([N-]c1ccc(Cl)nn1)c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000011990855 559269955 /nfs/dbraw/zinc/26/99/55/559269955.db2.gz GVFACWIQFRYUFN-UHFFFAOYSA-N -1 0 412.862 3.618 50 0 HHAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2)c1 ZINC000000855978 559289594 /nfs/dbraw/zinc/28/95/94/559289594.db2.gz LYSOTVNORGSQLL-UHFFFAOYSA-N -1 0 403.390 3.677 50 0 HHAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)c1OC ZINC000061719203 559293497 /nfs/dbraw/zinc/29/34/97/559293497.db2.gz IMTKGYHZNWAYOX-CYBMUJFWSA-N -1 0 410.401 3.806 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1C ZINC000101168231 560787520 /nfs/dbraw/zinc/78/75/20/560787520.db2.gz HCLUIKNGMWNWIZ-SJORKVTESA-N -1 0 402.376 3.816 50 0 HHAARM Cc1cccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(Cl)cc2)c1 ZINC000101583221 560797234 /nfs/dbraw/zinc/79/72/34/560797234.db2.gz NRRJTCIMIOJDNZ-UHFFFAOYSA-N -1 0 407.861 3.535 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(C)cc3F)c([O-])c3cccnc32)c1 ZINC000101722160 560798746 /nfs/dbraw/zinc/79/87/46/560798746.db2.gz ZTPADOXFYIWAEU-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM O=C(Nc1ccc(F)c(F)c1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722339 560798826 /nfs/dbraw/zinc/79/88/26/560798826.db2.gz VFWLNFJXRFXTBV-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM O=C(NCc1ccccc1Cl)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722734 560798907 /nfs/dbraw/zinc/79/89/07/560798907.db2.gz GEVAYIJEFBSYND-UHFFFAOYSA-N -1 0 419.868 3.734 50 0 HHAARM O=C(NCc1ccccc1Cl)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722613 560798917 /nfs/dbraw/zinc/79/89/17/560798917.db2.gz IEQRNDBSWVJVMU-UHFFFAOYSA-N -1 0 423.831 3.814 50 0 HHAARM Cn1c(=O)c(-c2nc(-c3ccccc3Br)no2)c([O-])c2cc(F)ccc21 ZINC000101725124 560799002 /nfs/dbraw/zinc/79/90/02/560799002.db2.gz RNJDQCHRDJXZRZ-UHFFFAOYSA-N -1 0 416.206 3.863 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c(F)c1 ZINC000101723053 560799183 /nfs/dbraw/zinc/79/91/83/560799183.db2.gz SWGFZOIPJCPVJU-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2cccs2)C1 ZINC000101835699 560803358 /nfs/dbraw/zinc/80/33/58/560803358.db2.gz APBVONMYHWCHSI-CQSZACIVSA-N -1 0 400.847 3.834 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccs2)cc1 ZINC000101835726 560803365 /nfs/dbraw/zinc/80/33/65/560803365.db2.gz SUBYBDYXXAQACK-INIZCTEOSA-N -1 0 410.455 3.579 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1cccc(Cl)c1 ZINC000101836617 560803706 /nfs/dbraw/zinc/80/37/06/560803706.db2.gz VPDPTNKQAUYXHJ-KRWDZBQOSA-N -1 0 424.844 3.781 50 0 HHAARM COc1cc(OC)c([C@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)cc1OC ZINC000102750739 560825454 /nfs/dbraw/zinc/82/54/54/560825454.db2.gz UEAVOVVROVZQEM-QGZVFWFLSA-N -1 0 400.435 3.967 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccccc1OC ZINC000102810604 560829325 /nfs/dbraw/zinc/82/93/25/560829325.db2.gz UPBNIBIVQFFWKL-LJQANCHMSA-N -1 0 418.453 3.690 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)cc1 ZINC000102820672 560829537 /nfs/dbraw/zinc/82/95/37/560829537.db2.gz NPHIZEDVLBTFSS-LJQANCHMSA-N -1 0 406.417 3.820 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)cc1 ZINC000102820673 560829557 /nfs/dbraw/zinc/82/95/57/560829557.db2.gz NPHIZEDVLBTFSS-IBGZPJMESA-N -1 0 406.417 3.820 50 0 HHAARM CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(C2CCCCCC2)C1=O ZINC000104815293 560855105 /nfs/dbraw/zinc/85/51/05/560855105.db2.gz BCNADYINQWWMAK-XUTLUUPISA-N -1 0 422.529 3.765 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2c(C)noc2C)c1 ZINC000005883370 568454249 /nfs/dbraw/zinc/45/42/49/568454249.db2.gz OLJREQFAAHUBIM-UHFFFAOYSA-N -1 0 415.471 3.662 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccs3)C2)cc1OC ZINC000000801918 568484891 /nfs/dbraw/zinc/48/48/91/568484891.db2.gz RNELQDMAUDCFJA-OAHLLOKOSA-N -1 0 402.472 3.698 50 0 HHAARM C[C@H](CN(Cc1ccccc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)[O-] ZINC000095424401 568607535 /nfs/dbraw/zinc/60/75/35/568607535.db2.gz JEYMMWMGBCCEFT-QGZVFWFLSA-N -1 0 421.497 3.794 50 0 HHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)c(C)cc21 ZINC000020509725 568620640 /nfs/dbraw/zinc/62/06/40/568620640.db2.gz FKWXIHQRLOSUFI-UHFFFAOYSA-N -1 0 414.405 3.560 50 0 HHAARM CCc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000020532769 568628559 /nfs/dbraw/zinc/62/85/59/568628559.db2.gz GEJVIKYEDCDOML-UHFFFAOYSA-N -1 0 411.483 3.706 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cnc2ccccc2n1 ZINC000225504368 568644204 /nfs/dbraw/zinc/64/42/04/568644204.db2.gz KLPSZSPNNKVWNO-IBGZPJMESA-N -1 0 408.845 3.826 50 0 HHAARM Cc1c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])sc2nc(C3CC3)nc(C)c12 ZINC000095969919 568671231 /nfs/dbraw/zinc/67/12/31/568671231.db2.gz QSWURTXOGOEHHI-MRXNPFEDSA-N -1 0 407.495 3.837 50 0 HHAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000095969905 568671236 /nfs/dbraw/zinc/67/12/36/568671236.db2.gz ARCYYXSJVYYCAW-OAQYLSRUSA-N -1 0 419.456 3.542 50 0 HHAARM CCc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c1 ZINC000021155859 568673563 /nfs/dbraw/zinc/67/35/63/568673563.db2.gz UJEZMRLDFISFPQ-UHFFFAOYSA-N -1 0 417.575 3.877 50 0 HHAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(CCc2nc3ccccc3n2C)c1 ZINC000021357331 568688317 /nfs/dbraw/zinc/68/83/17/568688317.db2.gz FKBPDIYIVJDVRN-UHFFFAOYSA-N -1 0 423.542 3.510 50 0 HHAARM Cc1c2c(cc(=O)n1CCc1ccc(O)cc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012389818 568690458 /nfs/dbraw/zinc/69/04/58/568690458.db2.gz SWOWEYDIUDINKS-UHFFFAOYSA-N -1 0 418.478 3.711 50 0 HHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c32)cc1 ZINC000096117856 568697436 /nfs/dbraw/zinc/69/74/36/568697436.db2.gz YBAWDEYVTMIGNM-INIZCTEOSA-N -1 0 402.385 3.732 50 0 HHAARM COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Br ZINC000058425470 568699727 /nfs/dbraw/zinc/69/97/27/568699727.db2.gz ABAIQYYLFQAVPR-UHFFFAOYSA-N -1 0 420.668 3.610 50 0 HHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000012414322 568717005 /nfs/dbraw/zinc/71/70/05/568717005.db2.gz UFORGULEAQZKSX-UHFFFAOYSA-N -1 0 401.387 3.906 50 0 HHAARM CC(C)c1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000096361184 568739128 /nfs/dbraw/zinc/73/91/28/568739128.db2.gz WVWLNWPNZUMNPP-UHFFFAOYSA-N -1 0 402.451 3.725 50 0 HHAARM CCOc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096361220 568739159 /nfs/dbraw/zinc/73/91/59/568739159.db2.gz REKQULSKISBQKT-UHFFFAOYSA-N -1 0 420.878 3.515 50 0 HHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2)o1 ZINC000096379549 568741180 /nfs/dbraw/zinc/74/11/80/568741180.db2.gz KFFRKKWEGWMPIQ-UHFFFAOYSA-N -1 0 411.281 3.553 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)cc1F ZINC000096379670 568741417 /nfs/dbraw/zinc/74/14/17/568741417.db2.gz RTEOQOCEJDZHQE-UHFFFAOYSA-N -1 0 406.439 3.507 50 0 HHAARM Cc1nc2sc([C@H](c3ccccc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022458776 568768060 /nfs/dbraw/zinc/76/80/60/568768060.db2.gz VJYUKFONJUTOSH-FQEVSTJZSA-N -1 0 419.554 3.712 50 0 HHAARM O=C(c1ccccc1Cl)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097161234 568768883 /nfs/dbraw/zinc/76/88/83/568768883.db2.gz ZVMLKPPJMHWBNJ-UHFFFAOYSA-N -1 0 404.857 3.542 50 0 HHAARM [O-]c1c([C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022610207 568771957 /nfs/dbraw/zinc/77/19/57/568771957.db2.gz NCKMJKIFJIFSPB-INIZCTEOSA-N -1 0 415.519 3.609 50 0 HHAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NCCSCc1ccccc1 ZINC000002971800 568831964 /nfs/dbraw/zinc/83/19/64/568831964.db2.gz GTAXXQNOGWRKIL-UHFFFAOYSA-N -1 0 413.568 3.889 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2Cl)cc1 ZINC000006023963 568835570 /nfs/dbraw/zinc/83/55/70/568835570.db2.gz QZTPSAIJJIQQQL-UHFFFAOYSA-N -1 0 406.847 3.995 50 0 HHAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000006036215 568836206 /nfs/dbraw/zinc/83/62/06/568836206.db2.gz MIHNUBCEFJLAGN-DMMBONCOSA-N -1 0 406.563 3.657 50 0 endogenous,in-man HHAARM CCOc1ccc(Nc2nnc(SCC(=O)[O-])n2-c2ccc(OCC)cc2)cc1 ZINC000003012910 568838046 /nfs/dbraw/zinc/83/80/46/568838046.db2.gz DMJZSMUEMNROBQ-UHFFFAOYSA-N -1 0 414.487 3.985 50 0 HHAARM CC(=O)Nc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)ccc1[O-] ZINC000012563205 568859242 /nfs/dbraw/zinc/85/92/42/568859242.db2.gz HRDDOGVEDWLSCG-UHFFFAOYSA-N -1 0 408.483 3.784 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000003245528 568867051 /nfs/dbraw/zinc/86/70/51/568867051.db2.gz WDWQHHYTNXKOGO-UHFFFAOYSA-N -1 0 422.388 3.549 50 0 HHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000015782018 568922470 /nfs/dbraw/zinc/92/24/70/568922470.db2.gz IXQYXWZZAMHOSL-INIZCTEOSA-N -1 0 406.385 3.588 50 0 HHAARM COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000003865010 568927907 /nfs/dbraw/zinc/92/79/07/568927907.db2.gz QWOGXVWZEPZNIX-HXUWFJFHSA-N -1 0 410.470 3.945 50 0 HHAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000004082607 568939351 /nfs/dbraw/zinc/93/93/51/568939351.db2.gz XRPWVMQFDFZZGL-AEFFLSMTSA-N -1 0 418.534 3.571 50 0 biogenic HHAARM COc1ccc(C)cc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)[n-]1 ZINC000004317400 568962616 /nfs/dbraw/zinc/96/26/16/568962616.db2.gz WIBBVAURYODWPU-UHFFFAOYSA-N -1 0 410.499 3.524 50 0 HHAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000004317378 568962653 /nfs/dbraw/zinc/96/26/53/568962653.db2.gz XMQZTRYWPUWMDI-UHFFFAOYSA-N -1 0 410.499 3.524 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2OC)cc1 ZINC000008033633 568969503 /nfs/dbraw/zinc/96/95/03/568969503.db2.gz KKMHHHAXEDECHR-UHFFFAOYSA-N -1 0 404.488 3.633 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000015730782 568981407 /nfs/dbraw/zinc/98/14/07/568981407.db2.gz ZMRCTEGKBXHMDT-JTQLQIEISA-N -1 0 412.920 3.830 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(Br)c1 ZINC000085344969 568982699 /nfs/dbraw/zinc/98/26/99/568982699.db2.gz YVYJMYZIPOMZMT-KRWDZBQOSA-N -1 0 401.260 3.992 50 0 HHAARM CC(=O)Nc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)ccc1[O-] ZINC000008324720 568991221 /nfs/dbraw/zinc/99/12/21/568991221.db2.gz HYDDTZSMFXJANF-UHFFFAOYSA-N -1 0 408.483 3.784 50 0 HHAARM COc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)cc1)[C@H](CC(=O)[O-])S2 ZINC000008391858 568998492 /nfs/dbraw/zinc/99/84/92/568998492.db2.gz GRCVXPOLCLXSEU-HNNXBMFYSA-N -1 0 414.874 3.809 50 0 HHAARM CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)[O-] ZINC000008466462 569004299 /nfs/dbraw/zinc/00/42/99/569004299.db2.gz KXXOTNJWCWBKIT-UHFFFAOYSA-N -1 0 410.426 3.555 50 0 biogenic HHAARM CCc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397607 569034937 /nfs/dbraw/zinc/03/49/37/569034937.db2.gz SPUWJEIGYMXBSA-UHFFFAOYSA-N -1 0 417.531 3.914 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239174504 569054018 /nfs/dbraw/zinc/05/40/18/569054018.db2.gz QDVGFMMSWZDTEO-BPLDGKMQSA-N -1 0 404.532 3.748 50 0 HHAARM CCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000016567375 569059200 /nfs/dbraw/zinc/05/92/00/569059200.db2.gz WIJNMPBZOOWPPY-ODLFYWEKSA-N -1 0 424.407 3.511 50 0 HHAARM Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000006502380 569061658 /nfs/dbraw/zinc/06/16/58/569061658.db2.gz XWMHGQSEGFIQCO-UHFFFAOYSA-N -1 0 406.305 3.803 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000064472973 569063710 /nfs/dbraw/zinc/06/37/10/569063710.db2.gz QKIRGYXAKNZQBC-UHFFFAOYSA-N -1 0 421.906 3.961 50 0 HHAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)C[C@H](C)O1 ZINC000016689774 569070482 /nfs/dbraw/zinc/07/04/82/569070482.db2.gz QQQJVYRIRIPWQN-VBQJREDUSA-N -1 0 410.499 3.955 50 0 HHAARM Cc1ccc(-n2ccnc2SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(C)c1 ZINC000006650738 569082141 /nfs/dbraw/zinc/08/21/41/569082141.db2.gz PROPKJNFYRLMMX-HXUWFJFHSA-N -1 0 421.522 3.619 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000064820457 569102666 /nfs/dbraw/zinc/10/26/66/569102666.db2.gz XWWIEMDRUJNBGE-UHFFFAOYSA-N -1 0 424.476 3.805 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000006729927 569102786 /nfs/dbraw/zinc/10/27/86/569102786.db2.gz QHOSXGKEASMDSC-CQSZACIVSA-N -1 0 418.515 3.582 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)cc1OC ZINC000064920386 569121167 /nfs/dbraw/zinc/12/11/67/569121167.db2.gz UYOJBTOZJASWQT-UHFFFAOYSA-N -1 0 421.500 3.884 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc(OC)c1 ZINC000064947010 569129199 /nfs/dbraw/zinc/12/91/99/569129199.db2.gz HLMSYVRJPXPOBX-UHFFFAOYSA-N -1 0 401.488 3.616 50 0 HHAARM CCc1cc2c(nc(SCc3nc(=O)c4sccc4[n-]3)n(CC)c2=O)s1 ZINC000006908046 569178620 /nfs/dbraw/zinc/17/86/20/569178620.db2.gz XBTMLCHWBNYARZ-UHFFFAOYSA-N -1 0 404.542 3.631 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(OC)c3)c(C)n2CC)o1 ZINC000065186585 569192171 /nfs/dbraw/zinc/19/21/71/569192171.db2.gz CBXPDBBZDJXHBI-UHFFFAOYSA-N -1 0 404.492 3.547 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)n2CC)o1 ZINC000065186604 569192201 /nfs/dbraw/zinc/19/22/01/569192201.db2.gz GNRIRWAHCPOOMS-UHFFFAOYSA-N -1 0 406.483 3.986 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c(C)n2CC)o1 ZINC000065186607 569192217 /nfs/dbraw/zinc/19/22/17/569192217.db2.gz FNEYMCYCKUSUKA-UHFFFAOYSA-N -1 0 410.446 3.816 50 0 HHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196212 569194612 /nfs/dbraw/zinc/19/46/12/569194612.db2.gz VXPLMAOZLSCEPG-UHFFFAOYSA-N -1 0 410.948 3.805 50 0 HHAARM O=C(NCc1ccc(F)cc1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215666 569197575 /nfs/dbraw/zinc/19/75/75/569197575.db2.gz HJOXLXOAKGRCBA-UHFFFAOYSA-N -1 0 408.454 3.886 50 0 HHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CC3)s1 ZINC000013696600 569257082 /nfs/dbraw/zinc/25/70/82/569257082.db2.gz ZLUBUJVXCUIDAN-UHFFFAOYSA-N -1 0 402.497 3.907 50 0 HHAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002104994 569282130 /nfs/dbraw/zinc/28/21/30/569282130.db2.gz RANJUXTYOUZTER-UHFFFAOYSA-N -1 0 411.454 3.558 50 0 biogenic HHAARM Cc1cc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002114873 569284511 /nfs/dbraw/zinc/28/45/11/569284511.db2.gz QOENJMDYUFRMLO-OAHLLOKOSA-N -1 0 415.486 3.509 50 0 biogenic HHAARM COc1cc2c(O)cc(C(=O)[O-])c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000001672459 569287871 /nfs/dbraw/zinc/28/78/71/569287871.db2.gz VZTKXOGSLJCWDJ-UHFFFAOYSA-N -1 0 414.410 3.954 50 0 HHAARM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000010330525 569291337 /nfs/dbraw/zinc/29/13/37/569291337.db2.gz WUIJSHQDSFKAGN-UHFFFAOYSA-N -1 0 401.513 3.824 50 0 HHAARM COC(=O)c1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253411922 569366520 /nfs/dbraw/zinc/36/65/20/569366520.db2.gz PHNCUILOSDPKJN-GOSISDBHSA-N -1 0 402.402 3.851 50 0 biogenic HHAARM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2noc(-c3ccccc3F)n2)c1 ZINC000328594010 569415620 /nfs/dbraw/zinc/41/56/20/569415620.db2.gz HZGMFDHNIKUEMP-UHFFFAOYSA-N -1 0 409.826 3.923 50 0 HHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000008604886 571091634 /nfs/dbraw/zinc/09/16/34/571091634.db2.gz VWFZNDAFBUMLTE-UHFFFAOYSA-N -1 0 408.476 3.694 50 0 HHAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2C1 ZINC000008977190 571198134 /nfs/dbraw/zinc/19/81/34/571198134.db2.gz APRUBSXQQRNINS-UHFFFAOYSA-N -1 0 418.421 3.557 50 0 HHAARM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1 ZINC000040152459 571200038 /nfs/dbraw/zinc/20/00/38/571200038.db2.gz NCXBBGNYMBNBIF-UHFFFAOYSA-N -1 0 409.829 3.958 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3CC)s2)on1 ZINC000009688797 571280145 /nfs/dbraw/zinc/28/01/45/571280145.db2.gz ZLAJJIFCSZFVOZ-UHFFFAOYSA-N -1 0 406.485 3.943 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)on1 ZINC000009688785 571280252 /nfs/dbraw/zinc/28/02/52/571280252.db2.gz HUVIWEJZORWVEV-UHFFFAOYSA-N -1 0 414.411 3.659 50 0 HHAARM [O-]C(c1cccs1)=C1[C@@H](c2ccccc2Cl)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000009833271 571287501 /nfs/dbraw/zinc/28/75/01/571287501.db2.gz KKZCBLLRQNFTEP-ZOWXZIJZSA-N -1 0 420.865 3.670 50 0 HHAARM O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)C1CCCC1 ZINC000035482731 571316773 /nfs/dbraw/zinc/31/67/73/571316773.db2.gz WWPHPGQHAPQECE-UHFFFAOYSA-N -1 0 411.477 3.979 50 0 HHAARM Cc1cc([O-])c(C2=NCCS[C@@H](c3cc(Br)ccc3O)C2)c(=O)o1 ZINC000005441543 960724858 /nfs/dbraw/zinc/72/48/58/960724858.db2.gz WREQRAUXIXVJPV-OAHLLOKOSA-N -1 0 410.289 3.789 50 0 HHAARM COc1cc(/C=C2/CCCCn3c(=O)c4ccc(C(=O)[O-])cc4nc32)cc(OC)c1 ZINC000033528062 966409758 /nfs/dbraw/zinc/40/97/58/966409758.db2.gz ZEFCUCSOXCKLDV-DHDCSXOGSA-N -1 0 406.438 3.836 50 0 HHAARM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1nc2ccc(Br)cn2n1 ZINC000097164867 969098755 /nfs/dbraw/zinc/09/87/55/969098755.db2.gz NZHBUCUCKOEALN-BQYQJAHWSA-N -1 0 413.684 3.558 50 0 HHAARM O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000237942374 970401133 /nfs/dbraw/zinc/40/11/33/970401133.db2.gz FXGBYTZDAGMNCE-UHFFFAOYSA-N -1 0 402.450 3.539 50 0 HHAARM Cc1nc(COc2ccc(/C=C/C(=O)N3CCCC[C@H]3CC(=O)[O-])cc2)cs1 ZINC000170593186 970492231 /nfs/dbraw/zinc/49/22/31/970492231.db2.gz XZBXWMKJGSRIIT-HKMNZKMDSA-N -1 0 400.500 3.900 50 0 HHAARM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4cccnc4)c3)nn2)CC1 ZINC000005144754 132303149 /nfs/dbraw/zinc/30/31/49/132303149.db2.gz ZCLMFNLIUFUEPF-UHFFFAOYSA-N -1 0 409.515 3.576 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2 ZINC000006779542 132315636 /nfs/dbraw/zinc/31/56/36/132315636.db2.gz NWQBOKYTPFYROP-ZDUSSCGKSA-N -1 0 406.529 3.733 50 0 HHAARM O=C([O-])COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000008703996 132332285 /nfs/dbraw/zinc/33/22/85/132332285.db2.gz RYLQVXVASCJIAM-JOCHJYFZSA-N -1 0 418.405 3.650 50 0 HHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000008768727 132333297 /nfs/dbraw/zinc/33/32/97/132333297.db2.gz AWGKGCFANAYBNC-UHFFFAOYSA-N -1 0 423.332 3.939 50 0 HHAARM Cc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023156822 132478603 /nfs/dbraw/zinc/47/86/03/132478603.db2.gz UBTBTGDZIGJSJE-IBGZPJMESA-N -1 0 423.517 3.856 50 0 HHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000044803217 519702055 /nfs/dbraw/zinc/70/20/55/519702055.db2.gz WPCSLNOQYYKHGR-CYBMUJFWSA-N -1 0 423.498 3.630 50 0 HHAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000032947207 519913781 /nfs/dbraw/zinc/91/37/81/519913781.db2.gz JELNXGXLHUPBQD-UHFFFAOYSA-N -1 0 413.493 3.975 50 0 HHAARM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000032906705 525478377 /nfs/dbraw/zinc/47/83/77/525478377.db2.gz JWMVLTCNYCVAHS-UHFFFAOYSA-N -1 0 417.508 3.992 50 0 HHAARM CSCC[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)[O-] ZINC000040268522 525588804 /nfs/dbraw/zinc/58/88/04/525588804.db2.gz YXZOWCWVXAKHCF-IBGZPJMESA-N -1 0 412.511 3.543 50 0 HHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1c(F)cccc1F ZINC000012852185 535589902 /nfs/dbraw/zinc/58/99/02/535589902.db2.gz BIOGQTGASMOGBJ-SFHVURJKSA-N -1 0 416.380 3.771 50 0 HHAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622042 557019482 /nfs/dbraw/zinc/01/94/82/557019482.db2.gz SWZCTMTWRHEBIN-JOCHJYFZSA-N -1 0 403.434 3.927 50 0 HHAARM COc1ccc(C(=O)NC([N-]c2nnc(C)s2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000000721245 557070665 /nfs/dbraw/zinc/07/06/65/557070665.db2.gz HOFMLJNCXJSELR-UHFFFAOYSA-N -1 0 414.331 3.518 50 0 HHAARM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000794216 557082434 /nfs/dbraw/zinc/08/24/34/557082434.db2.gz XGARXXGSCHFMAG-UHFFFAOYSA-N -1 0 417.512 3.524 50 0 HHAARM COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)COCC(=O)[O-] ZINC000001029744 557146611 /nfs/dbraw/zinc/14/66/11/557146611.db2.gz RSAHPIXHTKIIIO-UHFFFAOYSA-N -1 0 405.472 3.539 50 0 HHAARM CC(C)(CC(=O)[O-])CC(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029941 557146617 /nfs/dbraw/zinc/14/66/17/557146617.db2.gz FCQMWIXMDJSZFW-UHFFFAOYSA-N -1 0 409.939 3.879 50 0 HHAARM Cc1c2ccc(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001057200 557161868 /nfs/dbraw/zinc/16/18/68/557161868.db2.gz LRYAVBQVSBOBIG-UHFFFAOYSA-N -1 0 422.466 3.893 50 0 HHAARM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000001173093 557225477 /nfs/dbraw/zinc/22/54/77/557225477.db2.gz VHEYJVVYTBIHEG-UHFFFAOYSA-N -1 0 424.478 3.603 50 0 HHAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)NC1CCCCC1 ZINC000001196284 557237946 /nfs/dbraw/zinc/23/79/46/557237946.db2.gz ATJOLBPWZKCXCL-UHFFFAOYSA-N -1 0 416.499 3.557 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000001211612 557243395 /nfs/dbraw/zinc/24/33/95/557243395.db2.gz WIVHFTSJDBFRDA-OAQYLSRUSA-N -1 0 402.450 3.673 50 0 biogenic HHAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000002576798 557357742 /nfs/dbraw/zinc/35/77/42/557357742.db2.gz VEVIIGJEOXYKAV-GOSISDBHSA-N -1 0 414.458 3.956 50 0 HHAARM C[C@H](SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)C(=O)Nc1ccc(Cl)cc1 ZINC000002745830 557376972 /nfs/dbraw/zinc/37/69/72/557376972.db2.gz KYALURAKTUIPDM-LBPRGKRZSA-N -1 0 415.902 3.839 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000002757077 557380403 /nfs/dbraw/zinc/38/04/03/557380403.db2.gz UPNCJAGKAHYGAH-FGZHOGPDSA-N -1 0 404.510 3.587 50 0 HHAARM CCCCOc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764854 557461728 /nfs/dbraw/zinc/46/17/28/557461728.db2.gz BXCVNYAXJLAYBU-UHFFFAOYSA-N -1 0 420.513 3.715 50 0 HHAARM Cc1ccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)cc1Cl ZINC000034767837 557462789 /nfs/dbraw/zinc/46/27/89/557462789.db2.gz PCUUHUURFSNQIE-UHFFFAOYSA-N -1 0 400.841 3.594 50 0 HHAARM O=C(CCc1nnc(-c2cccc(F)c2)[n-]c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000034768578 557463212 /nfs/dbraw/zinc/46/32/12/557463212.db2.gz GLSFLMDSMKAFIH-UHFFFAOYSA-N -1 0 420.366 3.651 50 0 HHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004179244 557525366 /nfs/dbraw/zinc/52/53/66/557525366.db2.gz XPQRTZDIRPPNBW-VXKWHMMOSA-N -1 0 406.526 3.811 50 0 HHAARM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000004195045 557527709 /nfs/dbraw/zinc/52/77/09/557527709.db2.gz WKBREAHLDIKPDY-SLEUVZQESA-N -1 0 404.797 3.505 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397590 557534321 /nfs/dbraw/zinc/53/43/21/557534321.db2.gz FNQOTUWCWLOUTL-UHFFFAOYSA-N -1 0 403.504 3.660 50 0 HHAARM O=C([O-])C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1I ZINC000004801896 557598773 /nfs/dbraw/zinc/59/87/73/557598773.db2.gz AFOJNOGSISSXTJ-ZDUSSCGKSA-N -1 0 409.223 3.563 50 0 HHAARM CC(C)C[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000005092057 557634730 /nfs/dbraw/zinc/63/47/30/557634730.db2.gz MAORSCWMXCIWTC-HJDVLLJCSA-N -1 0 414.889 3.726 50 0 HHAARM CCCC[C@H](CC)CNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002975299 557776868 /nfs/dbraw/zinc/77/68/68/557776868.db2.gz FFBYRCNHWHMOTI-ZDUSSCGKSA-N -1 0 405.520 3.510 50 0 HHAARM CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O ZINC000009260874 557833227 /nfs/dbraw/zinc/83/32/27/557833227.db2.gz KFAKCPKMNKUKJZ-BJMVGYQFSA-N -1 0 420.668 3.622 50 0 HHAARM O=C([O-])c1cccc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000009467718 557843887 /nfs/dbraw/zinc/84/38/87/557843887.db2.gz SFGGWMFIHPUWJM-FQEVSTJZSA-N -1 0 420.490 3.977 50 0 HHAARM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000009859193 557850474 /nfs/dbraw/zinc/85/04/74/557850474.db2.gz BZOHZBOHUUVBEL-UHFFFAOYSA-N -1 0 415.496 3.760 50 0 HHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2Br)cc1OC ZINC000012412058 558401184 /nfs/dbraw/zinc/40/11/84/558401184.db2.gz SOPTYSZFMMDVKH-HNNXBMFYSA-N -1 0 422.275 3.802 50 0 HHAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000022077353 558462830 /nfs/dbraw/zinc/46/28/30/558462830.db2.gz HHQWHJAGGUEADD-BQYQJAHWSA-N -1 0 406.232 3.573 50 0 HHAARM CN(CC(=O)Nc1ccccc1Cl)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000013055768 558508356 /nfs/dbraw/zinc/50/83/56/558508356.db2.gz VFLLXLCGUGHBRM-UHFFFAOYSA-N -1 0 407.253 3.876 50 0 HHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000013235092 558527617 /nfs/dbraw/zinc/52/76/17/558527617.db2.gz CTGICVWJRUYMID-QGZVFWFLSA-N -1 0 406.269 3.970 50 0 HHAARM CC[C@@H](C)[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000013591576 558546149 /nfs/dbraw/zinc/54/61/49/558546149.db2.gz CJVYTXQTAVGNHZ-NQIIRXRSSA-N -1 0 409.530 3.603 50 0 HHAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(C)c21 ZINC000013654986 558558592 /nfs/dbraw/zinc/55/85/92/558558592.db2.gz OIYUDWXXFPXHMM-OAHLLOKOSA-N -1 0 411.454 3.639 50 0 HHAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c21 ZINC000013654988 558558698 /nfs/dbraw/zinc/55/86/98/558558698.db2.gz OIYUDWXXFPXHMM-HNNXBMFYSA-N -1 0 411.454 3.639 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(Br)c1 ZINC000072304014 558756661 /nfs/dbraw/zinc/75/66/61/558756661.db2.gz NBRINHNEEHLSSB-UHFFFAOYSA-N -1 0 404.669 3.910 50 0 HHAARM COc1ccc(OC)c(NC(=O)N[C@H](Cc2ccccc2)c2n[n-]c(=S)o2)c1 ZINC000016039011 558769842 /nfs/dbraw/zinc/76/98/42/558769842.db2.gz QNFWHYRIPFPIOY-OAHLLOKOSA-N -1 0 400.460 3.855 50 0 HHAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081937 558813791 /nfs/dbraw/zinc/81/37/91/558813791.db2.gz QCQKJJPWRYUPBD-CABCVRRESA-N -1 0 400.500 3.960 50 0 HHAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081991 558813950 /nfs/dbraw/zinc/81/39/50/558813950.db2.gz JWLSNJKUNIOSFV-GJZGRUSLSA-N -1 0 400.500 3.960 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017082926 558815322 /nfs/dbraw/zinc/81/53/22/558815322.db2.gz IPGQQYQCIHVJOH-CVEARBPZSA-N -1 0 404.532 3.897 50 0 HHAARM CCc1c(C)sc(NC(=O)COCC(=O)[O-])c1C(=O)Nc1cccc(Cl)c1 ZINC000017088689 558817483 /nfs/dbraw/zinc/81/74/83/558817483.db2.gz FOAIZJOCFNRFJS-UHFFFAOYSA-N -1 0 410.879 3.564 50 0 HHAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017089224 558817896 /nfs/dbraw/zinc/81/78/96/558817896.db2.gz PVFSCEJMKFTQQV-HOTGVXAUSA-N -1 0 412.511 3.990 50 0 HHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017090760 558819445 /nfs/dbraw/zinc/81/94/45/558819445.db2.gz ODVHRKNQCBTSEO-UADMCSNRSA-N -1 0 416.543 3.595 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc4ccccc43)n2)cc1OC ZINC000017093599 558822055 /nfs/dbraw/zinc/82/20/55/558822055.db2.gz TUFHMGOOWGNJRQ-UHFFFAOYSA-N -1 0 423.494 3.903 50 0 HHAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696570 558856271 /nfs/dbraw/zinc/85/62/71/558856271.db2.gz AEQDLFSCGXTHAF-UHFFFAOYSA-N -1 0 402.859 3.937 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NC3CCCC3)c(=O)c2cc1OCC ZINC000004657956 558872205 /nfs/dbraw/zinc/87/22/05/558872205.db2.gz FBAJYQXPSARIIH-UHFFFAOYSA-N -1 0 419.547 3.695 50 0 HHAARM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000722394427 558886418 /nfs/dbraw/zinc/88/64/18/558886418.db2.gz GGHYBJQTJUXCAO-CQSZACIVSA-N -1 0 403.438 3.735 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000023125726 559013780 /nfs/dbraw/zinc/01/37/80/559013780.db2.gz WUCLKLRJAOLQEK-HZPDHXFCSA-N -1 0 417.238 3.703 50 0 HHAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023156824 559022680 /nfs/dbraw/zinc/02/26/80/559022680.db2.gz UBTBTGDZIGJSJE-LJQANCHMSA-N -1 0 423.517 3.856 50 0 HHAARM CCCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000033275367 559035089 /nfs/dbraw/zinc/03/50/89/559035089.db2.gz TVJHIVVIGSEHKP-UHFFFAOYSA-N -1 0 409.515 3.755 50 0 HHAARM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000096191816 559101156 /nfs/dbraw/zinc/10/11/56/559101156.db2.gz MYAJVPNKBNZSJR-UHFFFAOYSA-N -1 0 413.830 3.883 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C ZINC000004863403 559193443 /nfs/dbraw/zinc/19/34/43/559193443.db2.gz VFUQTHVFXSUIAI-HZPDHXFCSA-N -1 0 416.543 3.923 50 0 HHAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(I)cc1 ZINC000226360937 559273703 /nfs/dbraw/zinc/27/37/03/559273703.db2.gz FKTWOCULBUAMBU-WEVVVXLNSA-N -1 0 410.207 3.977 50 0 HHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)c(OC)c1 ZINC000061718953 559293378 /nfs/dbraw/zinc/29/33/78/559293378.db2.gz SYKIBZLGRFVPEX-CQSZACIVSA-N -1 0 410.401 3.806 50 0 HHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000005602217 560629134 /nfs/dbraw/zinc/62/91/34/560629134.db2.gz GWNKKNLOTSBFMF-UHFFFAOYSA-N -1 0 416.293 3.666 50 0 HHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000005602289 560629181 /nfs/dbraw/zinc/62/91/81/560629181.db2.gz RQFLZQMWYVJANG-UHFFFAOYSA-N -1 0 408.838 3.803 50 0 HHAARM COc1ccc(NC(=O)c2cccs2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005653006 560637185 /nfs/dbraw/zinc/63/71/85/560637185.db2.gz GTKAPUZPUGDRNA-UHFFFAOYSA-N -1 0 406.460 3.949 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000001158672 560727438 /nfs/dbraw/zinc/72/74/38/560727438.db2.gz OIAMBJLQLNHUPA-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cccc(C)c3)c([O-])c3cccnc32)c1 ZINC000101722252 560798756 /nfs/dbraw/zinc/79/87/56/560798756.db2.gz UUDGIKLQPIRSJI-UHFFFAOYSA-N -1 0 401.422 3.661 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1F ZINC000101722295 560798830 /nfs/dbraw/zinc/79/88/30/560798830.db2.gz GXSFOUBYCRLNGP-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM C[C@@H](NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O)c1ccc(F)cc1 ZINC000101722698 560798919 /nfs/dbraw/zinc/79/89/19/560798919.db2.gz SZVMRCMZUXIJKG-OAHLLOKOSA-N -1 0 417.440 3.781 50 0 HHAARM CCOc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000101723144 560799152 /nfs/dbraw/zinc/79/91/52/560799152.db2.gz KFEFBZVEDMZGNV-UHFFFAOYSA-N -1 0 419.412 3.881 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)c([O-])c3cccnc32)cc1 ZINC000101723451 560799215 /nfs/dbraw/zinc/79/92/15/560799215.db2.gz ZJRAKPRAQJMVBL-UHFFFAOYSA-N -1 0 415.449 3.969 50 0 HHAARM CCCOc1ccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)cc1OC ZINC000101725652 560800014 /nfs/dbraw/zinc/80/00/14/560800014.db2.gz CWERCJLCWIEWGC-UHFFFAOYSA-N -1 0 407.426 3.759 50 0 HHAARM CC(C)(C)NC(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000101733475 560800027 /nfs/dbraw/zinc/80/00/27/560800027.db2.gz GFERTSKEMVTVIC-UHFFFAOYSA-N -1 0 423.538 3.536 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@@H](/C=C/c2ccccc2)C1 ZINC000101835500 560803297 /nfs/dbraw/zinc/80/32/97/560803297.db2.gz IFZRBYSXYMUILD-FVNWOWOISA-N -1 0 404.401 3.923 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3F)cnn2[C@H](/C=C/c2ccccc2)C1 ZINC000101835903 560803489 /nfs/dbraw/zinc/80/34/89/560803489.db2.gz UWSAUCCZQKSHEP-AUECHBEKSA-N -1 0 404.401 3.923 50 0 HHAARM CCc1ccc(CN(C(=O)c2ccc(C)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877880 560804224 /nfs/dbraw/zinc/80/42/24/560804224.db2.gz SEWUYEPZUWQGSE-UHFFFAOYSA-N -1 0 415.497 3.752 50 0 HHAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102479199 560811758 /nfs/dbraw/zinc/81/17/58/560811758.db2.gz SQSQDDNIRROMKL-ZWKOTPCHSA-N -1 0 421.844 3.797 50 0 HHAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)c1 ZINC000102810720 560829311 /nfs/dbraw/zinc/82/93/11/560829311.db2.gz HLPJQGAKUYOPQS-SXSDINLZSA-N -1 0 416.437 3.793 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@H](c2ccc(F)cc2F)C1 ZINC000102810791 560829389 /nfs/dbraw/zinc/82/93/89/560829389.db2.gz OFBNJFNOTSFEBC-KRWDZBQOSA-N -1 0 414.343 3.536 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(C)cc2)cc1 ZINC000102820851 560829579 /nfs/dbraw/zinc/82/95/79/560829579.db2.gz GOAPDSPHBFLOPH-HXUWFJFHSA-N -1 0 402.454 3.990 50 0 HHAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cc(C)cc(C)c3)cnn21 ZINC000102820883 560829685 /nfs/dbraw/zinc/82/96/85/560829685.db2.gz GBTGZTURZVBGRL-LJQANCHMSA-N -1 0 418.453 3.744 50 0 HHAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)c1 ZINC000102820959 560829689 /nfs/dbraw/zinc/82/96/89/560829689.db2.gz URQCKMQIWXHBEY-LJQANCHMSA-N -1 0 406.417 3.875 50 0 HHAARM Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)c1 ZINC000005747860 560869351 /nfs/dbraw/zinc/86/93/51/560869351.db2.gz SMGXEZAJSUAQJF-UBFBPUDLSA-N -1 0 409.441 3.630 50 0 HHAARM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000105981010 560877952 /nfs/dbraw/zinc/87/79/52/560877952.db2.gz FIOBGKKSNWAJDF-XNTDXEJSSA-N -1 0 400.232 3.866 50 0 HHAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213468 560886550 /nfs/dbraw/zinc/88/65/50/560886550.db2.gz VWMSGKXXLKFYFK-YWPYICTPSA-N -1 0 404.797 3.505 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000046053623 568425381 /nfs/dbraw/zinc/42/53/81/568425381.db2.gz NYENIWUDSNAMQK-UHFFFAOYSA-N -1 0 424.476 3.805 50 0 HHAARM O=C(Nc1ccc2c(c1)OCO2)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409598 568449701 /nfs/dbraw/zinc/44/97/01/568449701.db2.gz BMGNRIODPXRPAL-UHFFFAOYSA-N -1 0 420.446 3.798 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NCc4ccc(C)cc4)c3=O)c2c1 ZINC000020330361 568599462 /nfs/dbraw/zinc/59/94/62/568599462.db2.gz MBCXEALRGYGSQV-UHFFFAOYSA-N -1 0 422.510 3.564 50 0 HHAARM C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)C1CCCCC1 ZINC000095451159 568614517 /nfs/dbraw/zinc/61/45/17/568614517.db2.gz YKAVENRLVOGLTF-ZDUSSCGKSA-N -1 0 408.549 3.884 50 0 HHAARM CCc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000095532122 568635301 /nfs/dbraw/zinc/63/53/01/568635301.db2.gz CCVJZRFQMDWFBH-NRFANRHFSA-N -1 0 410.470 3.809 50 0 HHAARM O=S(=O)([N-]c1nccc(Oc2ccccc2)n1)c1ccc(F)cc1Br ZINC000225743467 568670341 /nfs/dbraw/zinc/67/03/41/568670341.db2.gz ISWNTZIGTUUBNH-UHFFFAOYSA-N -1 0 424.251 3.971 50 0 HHAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)s2)on1 ZINC000021540601 568713776 /nfs/dbraw/zinc/71/37/76/568713776.db2.gz UTOINWYRKXWILD-UHFFFAOYSA-N -1 0 412.876 3.952 50 0 HHAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(c4cc(Cl)ccc4C)CC3)c12 ZINC000021651063 568729093 /nfs/dbraw/zinc/72/90/93/568729093.db2.gz XFXKTJAUBVEGKT-UHFFFAOYSA-N -1 0 402.907 3.986 50 0 HHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000096361132 568738934 /nfs/dbraw/zinc/73/89/34/568738934.db2.gz VNHHRQGCCOUCSS-UHFFFAOYSA-N -1 0 422.869 3.872 50 0 HHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000096361129 568738963 /nfs/dbraw/zinc/73/89/63/568738963.db2.gz CZQXUYNYGBOBQW-UHFFFAOYSA-N -1 0 404.879 3.733 50 0 HHAARM Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022609306 568771794 /nfs/dbraw/zinc/77/17/94/568771794.db2.gz AMAUOCFOYSGVFB-IBGZPJMESA-N -1 0 423.517 3.856 50 0 HHAARM CC1(C)Cc2nc([N-]S(=O)(=O)c3ccc(Br)cc3)sc2C(=O)C1 ZINC000001132827 568773759 /nfs/dbraw/zinc/77/37/59/568773759.db2.gz XUILNAFKETVWTE-UHFFFAOYSA-N -1 0 415.334 3.862 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@H](C)CC)c(=O)c2cc1OCC ZINC000003010282 568837652 /nfs/dbraw/zinc/83/76/52/568837652.db2.gz ZCUPBVHZFHCOEQ-CYBMUJFWSA-N -1 0 407.536 3.551 50 0 HHAARM Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1Br ZINC000012525977 568843029 /nfs/dbraw/zinc/84/30/29/568843029.db2.gz OVRHDAYPHLNOQN-UHFFFAOYSA-N -1 0 404.669 3.910 50 0 HHAARM CCOc1ccc2nc(C)cc(SC[C@@H](NC(=O)c3ccccc3)C(=O)[O-])c2c1 ZINC000012526587 568843299 /nfs/dbraw/zinc/84/32/99/568843299.db2.gz HXIDZGHLHNCDBU-LJQANCHMSA-N -1 0 410.495 3.917 50 0 HHAARM CCN(CC)S(=O)(=O)c1ccc2oc(Nc3cc(C(=O)[O-])ccc3Cl)nc2c1 ZINC000003300936 568852902 /nfs/dbraw/zinc/85/29/02/568852902.db2.gz CWUITXGCXBTVNX-UHFFFAOYSA-N -1 0 423.878 3.954 50 0 HHAARM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000012609153 568871465 /nfs/dbraw/zinc/87/14/65/568871465.db2.gz IBCMECKMPXBOEL-UHFFFAOYSA-N -1 0 407.417 3.736 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2)c(OC)cc1Cl ZINC000003334877 568882667 /nfs/dbraw/zinc/88/26/67/568882667.db2.gz JCJWNGURLQRLHQ-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3ccccc32)cc1 ZINC000012754881 568942507 /nfs/dbraw/zinc/94/25/07/568942507.db2.gz HFHFOSMTAMQLDO-UHFFFAOYSA-N -1 0 408.479 3.699 50 0 HHAARM Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000004317336 568962646 /nfs/dbraw/zinc/96/26/46/568962646.db2.gz KULGKRDCOGHLLW-UHFFFAOYSA-N -1 0 400.891 3.861 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 ZINC000008033390 568969510 /nfs/dbraw/zinc/96/95/10/568969510.db2.gz JNHYFFMGOGKTIT-UHFFFAOYSA-N -1 0 402.516 3.949 50 0 HHAARM COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000011990954 568987392 /nfs/dbraw/zinc/98/73/92/568987392.db2.gz XGZQQOZUXVLYIL-UHFFFAOYSA-N -1 0 416.890 3.533 50 0 HHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000015782014 569002907 /nfs/dbraw/zinc/00/29/07/569002907.db2.gz AFOYOLOWMZNQLT-KRWDZBQOSA-N -1 0 402.422 3.757 50 0 HHAARM Cc1ccc(S(=O)(=O)n2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cn2)cc1 ZINC000012820589 569004796 /nfs/dbraw/zinc/00/47/96/569004796.db2.gz SPVZFAWNUFHLMH-UHFFFAOYSA-N -1 0 411.266 3.672 50 0 HHAARM CC(CNS(=O)(=O)c1ccsc1C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000012821849 569006001 /nfs/dbraw/zinc/00/60/01/569006001.db2.gz FIEOTZCBKMIQRR-UHFFFAOYSA-N -1 0 401.509 3.731 50 0 HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)s1 ZINC000001515671 569009936 /nfs/dbraw/zinc/00/99/36/569009936.db2.gz YGGHGSRBEXIBSP-UHFFFAOYSA-N -1 0 422.919 3.807 50 0 HHAARM CCCn1c(=O)cc([O-])nc1SCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000012947659 569029328 /nfs/dbraw/zinc/02/93/28/569029328.db2.gz FLXDANLTWUSIPH-UHFFFAOYSA-N -1 0 411.483 3.882 50 0 HHAARM CCc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397434 569034838 /nfs/dbraw/zinc/03/48/38/569034838.db2.gz SNQHPOSUHNOLTB-UHFFFAOYSA-N -1 0 403.504 3.523 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000006454830 569053531 /nfs/dbraw/zinc/05/35/31/569053531.db2.gz MTZXLPHTNLPWIY-UHFFFAOYSA-N -1 0 410.470 3.825 50 0 HHAARM O=C(NC(=C([O-])c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000026771191 569056591 /nfs/dbraw/zinc/05/65/91/569056591.db2.gz UQRLIBWHJJEPNA-OAQYLSRUSA-N -1 0 413.882 3.753 50 0 HHAARM COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000002121662 569060481 /nfs/dbraw/zinc/06/04/81/569060481.db2.gz GTMGXOZRLJBWTE-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 biogenic HHAARM CC1(C)c2sc(=O)[nH]c2S[C@H](C(=O)[O-])[C@@H]1C(=O)c1ccc2c(c1)CCCC2 ZINC000006550523 569064943 /nfs/dbraw/zinc/06/49/43/569064943.db2.gz UCXBMFCDQGUMNO-ZFWWWQNUSA-N -1 0 403.525 3.651 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588757 569068950 /nfs/dbraw/zinc/06/89/50/569068950.db2.gz SXGRJADWVFVJKX-OAHLLOKOSA-N -1 0 414.433 3.556 50 0 HHAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690143 569070602 /nfs/dbraw/zinc/07/06/02/569070602.db2.gz STBBWQDWOLTAKK-MKBNYLNASA-N -1 0 406.939 3.911 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C)c2)C1 ZINC000064820510 569102662 /nfs/dbraw/zinc/10/26/62/569102662.db2.gz NYDRJGQOCOWIRY-GOSISDBHSA-N -1 0 410.470 3.725 50 0 HHAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)C1 ZINC000036354961 569148213 /nfs/dbraw/zinc/14/82/13/569148213.db2.gz OCRNSKWMOCXEJY-IUUKEHGRSA-N -1 0 423.307 3.592 50 0 HHAARM O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCSCC1)cn2Cc1ccccc1 ZINC000036360484 569151515 /nfs/dbraw/zinc/15/15/15/569151515.db2.gz RQZZNJRKCNYJQU-FQEVSTJZSA-N -1 0 410.495 3.562 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021347 569154390 /nfs/dbraw/zinc/15/43/90/569154390.db2.gz KTGBVMYIKMBEQD-UHFFFAOYSA-N -1 0 400.500 3.530 50 0 HHAARM Cc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)c1C ZINC000065196269 569194633 /nfs/dbraw/zinc/19/46/33/569194633.db2.gz PZNGYAMUTKHLBJ-UHFFFAOYSA-N -1 0 404.557 3.851 50 0 HHAARM O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccc([O-])c(Cl)c1 ZINC000007000003 569196976 /nfs/dbraw/zinc/19/69/76/569196976.db2.gz FXQCODRARYDXNS-YBEGLDIGSA-N -1 0 402.859 3.512 50 0 HHAARM O=C(c1ccsc1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260875 569209636 /nfs/dbraw/zinc/20/96/36/569209636.db2.gz VVUCZWROMIOIMJ-UHFFFAOYSA-N -1 0 410.886 3.603 50 0 HHAARM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000170594911 569241594 /nfs/dbraw/zinc/24/15/94/569241594.db2.gz ASLMHQCBUYMHKO-SNVBAGLBSA-N -1 0 405.369 3.909 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)c1 ZINC000170615613 569247379 /nfs/dbraw/zinc/24/73/79/569247379.db2.gz ACSQOWMOZCFZBW-LJQANCHMSA-N -1 0 416.861 3.900 50 0 HHAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)N2c3ccccc3C[C@H]2C)cc1)C(=O)[O-] ZINC000013579144 569256355 /nfs/dbraw/zinc/25/63/55/569256355.db2.gz HWPJCCUFGCCRMK-ATGUSINASA-N -1 0 410.495 3.726 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000017051058 569272515 /nfs/dbraw/zinc/27/25/15/569272515.db2.gz IUXVAARPKVFQBG-UHFFFAOYSA-N -1 0 401.513 3.742 50 0 HHAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002107237 569283118 /nfs/dbraw/zinc/28/31/18/569283118.db2.gz WVCRJIXAIPQALC-KRWDZBQOSA-N -1 0 411.454 3.638 50 0 biogenic HHAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc12 ZINC000002107374 569283255 /nfs/dbraw/zinc/28/32/55/569283255.db2.gz JYZALRBARZHHKP-UHFFFAOYSA-N -1 0 419.433 3.956 50 0 biogenic HHAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c4cc32)cc1 ZINC000002131850 569287256 /nfs/dbraw/zinc/28/72/56/569287256.db2.gz RHOQQTBLUWVIFI-UHFFFAOYSA-N -1 0 405.406 3.566 50 0 biogenic HHAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002153157 569290104 /nfs/dbraw/zinc/29/01/04/569290104.db2.gz YASBAMVISYUCQH-QGZVFWFLSA-N -1 0 411.454 3.557 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)NCCC(=O)[O-])c(C)c2oc1=O ZINC000002157104 569290362 /nfs/dbraw/zinc/29/03/62/569290362.db2.gz UZELSAQNJDZJPL-MRXNPFEDSA-N -1 0 417.502 3.891 50 0 biogenic HHAARM CCOC(=O)c1c(C)n(C)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c21 ZINC000002197276 569294600 /nfs/dbraw/zinc/29/46/00/569294600.db2.gz DYGOAGPNPUFHIP-UHFFFAOYSA-N -1 0 420.462 3.612 50 0 HHAARM CC(C)Cc1cc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)n[nH]1 ZINC000170672296 569297776 /nfs/dbraw/zinc/29/77/76/569297776.db2.gz TVCLWSOIQITVED-UHFFFAOYSA-N -1 0 421.379 3.763 50 0 HHAARM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OCCC(C)C)cc2)cc1 ZINC000002272242 569327448 /nfs/dbraw/zinc/32/74/48/569327448.db2.gz OUGXRQXMRLELMB-HXUWFJFHSA-N -1 0 405.516 3.914 50 0 HHAARM CCCCOC(=O)c1c(N)n(-c2cccc(C(=O)[O-])c2)c2nc3ccccc3nc21 ZINC000002347472 569379442 /nfs/dbraw/zinc/37/94/42/569379442.db2.gz PSWQESDZNIHBKN-UHFFFAOYSA-N -1 0 404.426 3.811 50 0 HHAARM COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470707 569381046 /nfs/dbraw/zinc/38/10/46/569381046.db2.gz AISGMWORNUOCDF-QGZVFWFLSA-N -1 0 423.421 3.552 50 0 HHAARM COc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471524 569381053 /nfs/dbraw/zinc/38/10/53/569381053.db2.gz URJPQDLQUQBJLY-MRXNPFEDSA-N -1 0 413.401 3.668 50 0 HHAARM O=C(N[C@H]1CCOc2ccccc21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040144032 571194426 /nfs/dbraw/zinc/19/44/26/571194426.db2.gz VITPKFUYGALQTA-KRWDZBQOSA-N -1 0 414.508 3.803 50 0 HHAARM CC(NN1CCCC[C@H]1c1cccnc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008997181 571209203 /nfs/dbraw/zinc/20/92/03/571209203.db2.gz IZPXVWQQOKUJLO-YTVAGWOFSA-N -1 0 419.485 3.506 50 0 biogenic HHAARM O=C(Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1)c1ccccc1F ZINC000009129617 571227359 /nfs/dbraw/zinc/22/73/59/571227359.db2.gz ZLMBFIOVFLONGQ-UHFFFAOYSA-N -1 0 411.867 3.557 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C3CC3)ccc2Cl)cc1 ZINC000009467886 571261245 /nfs/dbraw/zinc/26/12/45/571261245.db2.gz ZVBGDRBVDYOMBS-GFCCVEGCSA-N -1 0 408.907 3.678 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)c1 ZINC000009646579 571276497 /nfs/dbraw/zinc/27/64/97/571276497.db2.gz DNSIWTJLRCVTAS-UHFFFAOYSA-N -1 0 419.480 3.665 50 0 HHAARM CCc1ccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)cc1 ZINC000009761964 571284518 /nfs/dbraw/zinc/28/45/18/571284518.db2.gz KIMBSHZZCJPUPM-UHFFFAOYSA-N -1 0 409.920 3.745 50 0 HHAARM COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000009963632 571293100 /nfs/dbraw/zinc/29/31/00/571293100.db2.gz KUAHKYDGQJYROH-UHFFFAOYSA-N -1 0 424.478 3.951 50 0 HHAARM O=C([O-])CCCN1C(=O)/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000101416681 571314203 /nfs/dbraw/zinc/31/42/03/571314203.db2.gz KAYIOGUDZRKROW-YGOOLXEZSA-N -1 0 412.876 3.784 50 0 HHAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000016043060 939031043 /nfs/dbraw/zinc/03/10/43/939031043.db2.gz NLMPUGILDMHFAV-YCRPNKLZSA-N -1 0 423.465 3.763 50 0 HHAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000016043061 939031403 /nfs/dbraw/zinc/03/14/03/939031403.db2.gz NLMPUGILDMHFAV-QVKFZJNVSA-N -1 0 423.465 3.763 50 0 HHAARM COc1cc([C@@H]2Cc3c(C(=O)[O-])c(=O)cc(C)n3-c3ccccc3S2)ccc1O ZINC000000755553 960457430 /nfs/dbraw/zinc/45/74/30/960457430.db2.gz FWCNOZKILZANNI-FQEVSTJZSA-N -1 0 409.463 3.948 50 0 HHAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)cc1 ZINC000005791040 960780817 /nfs/dbraw/zinc/78/08/17/960780817.db2.gz VREFAQPMDHRIGK-UHFFFAOYSA-N -1 0 408.454 3.792 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c1 ZINC000014170758 962439352 /nfs/dbraw/zinc/43/93/52/962439352.db2.gz ASSAQSZFQGWBJM-BJMVGYQFSA-N -1 0 415.389 3.736 50 0 HHAARM O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000016115008 962951049 /nfs/dbraw/zinc/95/10/49/962951049.db2.gz GTLCBWDHKXYFHP-UHFFFAOYSA-N -1 0 423.281 3.837 50 0 HHAARM Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1CCC(C(=O)[O-])CC1 ZINC000095956874 969041049 /nfs/dbraw/zinc/04/10/49/969041049.db2.gz AFIUSNOBPNIJCJ-BQYQJAHWSA-N -1 0 401.894 3.538 50 0 HHAARM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000170592068 970492303 /nfs/dbraw/zinc/49/23/03/970492303.db2.gz KGVMFRXLHIABJU-TXUZILRVSA-N -1 0 410.445 3.947 50 0 HHAARM CCCC[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)[O-] ZINC000002999490 291249528 /nfs/dbraw/zinc/24/95/28/291249528.db2.gz MIFKRJOXBSFIMR-SFHVURJKSA-N -1 0 424.526 3.786 50 0 biogenic,in-vitro HHAARM C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)[O-])c1)c1cc(Br)ccc1O2 ZINC000004313324 132274995 /nfs/dbraw/zinc/27/49/95/132274995.db2.gz QIGOPTFSXXLNFF-RDTXWAMCSA-N -1 0 403.232 3.917 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239173991 518944147 /nfs/dbraw/zinc/94/41/47/518944147.db2.gz PBOVIXZMMDUONI-FRRDWIJNSA-N -1 0 406.548 3.828 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)C1 ZINC000017090746 520840703 /nfs/dbraw/zinc/84/07/03/520840703.db2.gz BUMRHLINJSWVEU-CVEARBPZSA-N -1 0 416.543 3.905 50 0 HHAARM CC[C@@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948522 522168587 /nfs/dbraw/zinc/16/85/87/522168587.db2.gz XULKLGOEXBNQOD-SNVBAGLBSA-N -1 0 406.558 3.512 50 0 HHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1C(=O)[O-] ZINC000045946704 524325641 /nfs/dbraw/zinc/32/56/41/524325641.db2.gz QOXXGIFCHYERHM-UHFFFAOYSA-N -1 0 404.488 3.787 50 0 HHAARM Cc1cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)ccc1Br ZINC000042783096 525384545 /nfs/dbraw/zinc/38/45/45/525384545.db2.gz FGTUZHYOSRKMGX-JSGCOSHPSA-N -1 0 400.269 3.599 50 0 HHAARM O=C([O-])[C@H]1CCCN(C(=O)CCn2ccc3cc(OCc4ccccc4)ccc32)C1 ZINC000040309378 526321071 /nfs/dbraw/zinc/32/10/71/526321071.db2.gz FYZYSEWVLYUENI-FQEVSTJZSA-N -1 0 406.482 3.934 50 0 biogenic HHAARM Cn1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc2sccc21 ZINC000040798654 527044634 /nfs/dbraw/zinc/04/46/34/527044634.db2.gz NWKIFEZEPNJAEO-UHFFFAOYSA-N -1 0 418.525 3.749 50 0 HHAARM O=C([O-])CCCNC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000041154694 527587752 /nfs/dbraw/zinc/58/77/52/527587752.db2.gz FJAVQVZDYRPOKE-UHFFFAOYSA-N -1 0 400.287 3.670 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000627392 557023550 /nfs/dbraw/zinc/02/35/50/557023550.db2.gz NWIWDICBYPXQKP-KBPBESRZSA-N -1 0 400.381 3.823 50 0 HHAARM COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)o2)cc1OC ZINC000000667382 557046602 /nfs/dbraw/zinc/04/66/02/557046602.db2.gz GLNLFXURHGUFJD-SFHVURJKSA-N -1 0 409.438 3.698 50 0 biogenic HHAARM COc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)cc(OC)c1OC ZINC000000707052 557064657 /nfs/dbraw/zinc/06/46/57/557064657.db2.gz QECONBDPHOKWPN-SNVBAGLBSA-N -1 0 405.472 3.849 50 0 HHAARM COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3N2)cc1OC ZINC000000867083 557106318 /nfs/dbraw/zinc/10/63/18/557106318.db2.gz JJDPPMCQLFWVDK-LDYMZIIASA-N -1 0 405.760 3.912 50 0 HHAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627655 557113649 /nfs/dbraw/zinc/11/36/49/557113649.db2.gz WMKNCEJDYDSPGL-AWEZNQCLSA-N -1 0 413.330 3.658 50 0 HHAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 ZINC000001159174 557216917 /nfs/dbraw/zinc/21/69/17/557216917.db2.gz XFXPIGSKCDPCJK-UHFFFAOYSA-N -1 0 410.904 3.652 50 0 HHAARM CSCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000001795996 557288617 /nfs/dbraw/zinc/28/86/17/557288617.db2.gz VVLBKESFOSFQRN-OAHLLOKOSA-N -1 0 415.920 3.617 50 0 HHAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002351822 557339655 /nfs/dbraw/zinc/33/96/55/557339655.db2.gz FZBQTVSRGZGASM-UHFFFAOYSA-N -1 0 406.895 3.532 50 0 HHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000002779985 557386513 /nfs/dbraw/zinc/38/65/13/557386513.db2.gz FMSVHPVANMSUPO-UHFFFAOYSA-N -1 0 408.888 3.632 50 0 HHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)c(=O)[n-]2)c1 ZINC000034765132 557461903 /nfs/dbraw/zinc/46/19/03/557461903.db2.gz ZJJHTNLFWKBWOL-OAHLLOKOSA-N -1 0 424.476 3.810 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(N)ccc2Cl)cc1Br ZINC000003885686 557502477 /nfs/dbraw/zinc/50/24/77/557502477.db2.gz CYVQTNHQRHRCMM-UHFFFAOYSA-N -1 0 405.701 3.884 50 0 HHAARM COc1ccc(CCN2C(=O)CC[C@H](C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000004759737 557595418 /nfs/dbraw/zinc/59/54/18/557595418.db2.gz UCMMELSTVMGLSK-UWJYYQICSA-N -1 0 417.889 3.964 50 0 HHAARM O=C([O-])c1ccc(OCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000004786536 557597966 /nfs/dbraw/zinc/59/79/66/557597966.db2.gz MWMUMGRQBDPWQD-UHFFFAOYSA-N -1 0 411.435 3.642 50 0 HHAARM CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)c1 ZINC000005198081 557639792 /nfs/dbraw/zinc/63/97/92/557639792.db2.gz DMAGQVFLTXQPPF-UHFFFAOYSA-N -1 0 413.385 3.619 50 0 HHAARM CC1=C(C)C[C@H](C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)[C@H](C(=O)[O-])C1 ZINC000005500215 557658346 /nfs/dbraw/zinc/65/83/46/557658346.db2.gz IYHMWAPEEGFFEQ-JKSUJKDBSA-N -1 0 408.901 3.571 50 0 HHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)n1 ZINC000002709435 557744785 /nfs/dbraw/zinc/74/47/85/557744785.db2.gz DABJYUANHRFBRK-UHFFFAOYSA-N -1 0 422.510 3.717 50 0 HHAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000002804200 557763291 /nfs/dbraw/zinc/76/32/91/557763291.db2.gz ITQLGMPEVQQFBN-UHFFFAOYSA-N -1 0 423.489 3.866 50 0 HHAARM CCn1ncc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1C ZINC000002804905 557763742 /nfs/dbraw/zinc/76/37/42/557763742.db2.gz PLBRNAFSWCIMDD-UHFFFAOYSA-N -1 0 407.927 3.527 50 0 HHAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000002804896 557763777 /nfs/dbraw/zinc/76/37/77/557763777.db2.gz KBGZXMIONMIHDM-UHFFFAOYSA-N -1 0 415.853 3.594 50 0 HHAARM O=C1N[C@H](c2c(F)cccc2Cl)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000008915361 557814026 /nfs/dbraw/zinc/81/40/26/557814026.db2.gz BFDBJKZLOJVEMP-JMSVASOKSA-N -1 0 422.787 3.645 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1)c1cccs1 ZINC000009010483 557818936 /nfs/dbraw/zinc/81/89/36/557818936.db2.gz QSRIOYWAKRGBET-UHFFFAOYSA-N -1 0 424.507 3.987 50 0 HHAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1C)C(F)(F)F ZINC000009111598 557824235 /nfs/dbraw/zinc/82/42/35/557824235.db2.gz WUVMDOTXWZTAOT-GOSISDBHSA-N -1 0 423.416 3.878 50 0 HHAARM [O-]c1c([C@@H](c2cccc(Cl)c2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851907 557839533 /nfs/dbraw/zinc/83/95/33/557839533.db2.gz WOZMYVHYAVKMKB-OAHLLOKOSA-N -1 0 416.890 3.831 50 0 HHAARM CCCOc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Br ZINC000011614002 558264526 /nfs/dbraw/zinc/26/45/26/558264526.db2.gz MZVNNOWMTIXXPM-UHFFFAOYSA-N -1 0 414.277 3.737 50 0 HHAARM CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000012137549 558334231 /nfs/dbraw/zinc/33/42/31/558334231.db2.gz KHTQZQYZOQJDHO-UHFFFAOYSA-N -1 0 403.485 3.595 50 0 HHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1Cl ZINC000012466269 558420414 /nfs/dbraw/zinc/42/04/14/558420414.db2.gz AIMMAPQLGGGYDB-UHFFFAOYSA-N -1 0 413.680 3.928 50 0 HHAARM CCCCN1C(=O)NC(=Cc2c(Cc3ccccc3)[n-]n(-c3ccccc3)c2=O)C1=O ZINC000004346912 558427793 /nfs/dbraw/zinc/42/77/93/558427793.db2.gz XXZBNKSJXBYDAW-PGMHBOJBSA-N -1 0 416.481 3.862 50 0 HHAARM COc1cccc(-c2nc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)cs2)c1 ZINC000012630430 558441642 /nfs/dbraw/zinc/44/16/42/558441642.db2.gz XNJJUESLZORUGB-UHFFFAOYSA-N -1 0 418.496 3.547 50 0 HHAARM O=C([O-])CC1=C(c2cccs2)Nn2c(COc3ccc(Cl)cc3)nnc2S1 ZINC000013182316 558525460 /nfs/dbraw/zinc/52/54/60/558525460.db2.gz ATWHIIASSJKESR-ZDUSSCGKSA-N -1 0 420.903 3.773 50 0 HHAARM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000013607322 558548058 /nfs/dbraw/zinc/54/80/58/558548058.db2.gz XKQFDGCITNPJKH-UHFFFAOYSA-N -1 0 414.270 3.531 50 0 HHAARM COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013940798 558604471 /nfs/dbraw/zinc/60/44/71/558604471.db2.gz HPLNRHLVSOJNDN-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM O=C([O-])c1cc(NC(=O)Cc2cccs2)cc(NC(=O)Cc2cccs2)c1 ZINC000004512091 558625752 /nfs/dbraw/zinc/62/57/52/558625752.db2.gz ZIJGTAOSZYPLFO-UHFFFAOYSA-N -1 0 400.481 3.870 50 0 HHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000028901301 558706925 /nfs/dbraw/zinc/70/69/25/558706925.db2.gz SFKCJFRWHRCCRW-UHFFFAOYSA-N -1 0 424.906 3.970 50 0 HHAARM CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccc(Br)s2)CC1 ZINC000016123836 558772902 /nfs/dbraw/zinc/77/29/02/558772902.db2.gz HFEBOIDJFKSHSJ-CYBMUJFWSA-N -1 0 419.341 3.579 50 0 HHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1Cl ZINC000016192747 558777425 /nfs/dbraw/zinc/77/74/25/558777425.db2.gz KPUZADSCFGLABI-UHFFFAOYSA-N -1 0 413.680 3.928 50 0 HHAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000016777147 558806390 /nfs/dbraw/zinc/80/63/90/558806390.db2.gz BIMSQQPZPRUFDO-UHFFFAOYSA-N -1 0 420.416 3.918 50 0 HHAARM COc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000016777233 558806519 /nfs/dbraw/zinc/80/65/19/558806519.db2.gz ZTWMHMNFAGGYMX-UHFFFAOYSA-N -1 0 416.890 3.561 50 0 HHAARM CSc1ncccc1C(=O)[N-]n1cnc2sc(C)c(-c3ccccc3)c2c1=O ZINC000032988053 558808075 /nfs/dbraw/zinc/80/80/75/558808075.db2.gz ABLNWMLCRSHENI-UHFFFAOYSA-N -1 0 408.508 3.934 50 0 HHAARM Cc1cc2c([nH]c(=S)n([N-]C(=O)c3cc(Br)cs3)c2=O)s1 ZINC000017082328 558814296 /nfs/dbraw/zinc/81/42/96/558814296.db2.gz MZLGMWKSTXJZEB-UHFFFAOYSA-N -1 0 402.320 3.637 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)C1 ZINC000017082478 558814587 /nfs/dbraw/zinc/81/45/87/558814587.db2.gz HMUFGBIGWBOOGP-CABCVRRESA-N -1 0 402.516 3.515 50 0 HHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017087455 558816346 /nfs/dbraw/zinc/81/63/46/558816346.db2.gz LWFKQWUVZLKPQW-GFCCVEGCSA-N -1 0 406.548 3.985 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017090768 558819462 /nfs/dbraw/zinc/81/94/62/558819462.db2.gz CDAQZPATSIGLSB-CABCVRRESA-N -1 0 416.543 3.905 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017091458 558820005 /nfs/dbraw/zinc/82/00/05/558820005.db2.gz TUPDNGQXVURGFM-CYBMUJFWSA-N -1 0 418.515 3.979 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(-c2noc(CC)n2)c1 ZINC000033013357 558832997 /nfs/dbraw/zinc/83/29/97/558832997.db2.gz QULVNXNZPPGTOP-UHFFFAOYSA-N -1 0 403.460 3.507 50 0 HHAARM Cc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1C(=O)[O-] ZINC000004663913 558876054 /nfs/dbraw/zinc/87/60/54/558876054.db2.gz KKLKZRXEILSCTG-ODLFYWEKSA-N -1 0 402.431 3.724 50 0 HHAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000722975926 558891458 /nfs/dbraw/zinc/89/14/58/558891458.db2.gz AVWRDMWEWHYRJC-GOTSBHOMSA-N -1 0 417.461 3.582 50 0 HHAARM O=C(Nc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccn1 ZINC000058230290 558913899 /nfs/dbraw/zinc/91/38/99/558913899.db2.gz RBCLWMNSSWMMBD-UHFFFAOYSA-N -1 0 407.373 3.552 50 0 HHAARM COc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)[O-])cc1 ZINC000004751594 559048944 /nfs/dbraw/zinc/04/89/44/559048944.db2.gz UJVPADQYHUNJPW-FKBYEOEOSA-N -1 0 418.449 3.896 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NC(C)C)c3=O)c2c1 ZINC000004950513 559215698 /nfs/dbraw/zinc/21/56/98/559215698.db2.gz JSKBBWVEVXWWPZ-UHFFFAOYSA-N -1 0 402.520 3.634 50 0 HHAARM CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccc(CC)cc2)c(=O)[n-]1 ZINC000005091898 559243907 /nfs/dbraw/zinc/24/39/07/559243907.db2.gz QTQJBLKZGAVIKH-UHFFFAOYSA-N -1 0 407.542 3.722 50 0 HHAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 ZINC000248072224 559275083 /nfs/dbraw/zinc/27/50/83/559275083.db2.gz ACJMSTQVVQYGQW-GBXCKJPGSA-N -1 0 403.482 3.570 50 0 HHAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)c1OC ZINC000061719202 559293481 /nfs/dbraw/zinc/29/34/81/559293481.db2.gz IMTKGYHZNWAYOX-ZDUSSCGKSA-N -1 0 410.401 3.806 50 0 HHAARM CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000005428125 560585884 /nfs/dbraw/zinc/58/58/84/560585884.db2.gz VSUDFXQNHJRNJV-GOSISDBHSA-N -1 0 418.534 3.571 50 0 HHAARM CCOCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)c(C)c4)nc-3c2c1 ZINC000101282130 560790543 /nfs/dbraw/zinc/79/05/43/560790543.db2.gz KIZPAXKDXKUXJT-UHFFFAOYSA-N -1 0 418.497 3.592 50 0 HHAARM Cn1c(=O)c(-c2nc(-c3ccc(Br)cc3)no2)c([O-])c2ccc(F)cc21 ZINC000101724861 560798622 /nfs/dbraw/zinc/79/86/22/560798622.db2.gz JBMMWEBVQYKZEX-UHFFFAOYSA-N -1 0 416.206 3.863 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cccc(C)c3C)c([O-])c3cccnc32)c1 ZINC000101722225 560798708 /nfs/dbraw/zinc/79/87/08/560798708.db2.gz PMXAGOPLXCMZDJ-UHFFFAOYSA-N -1 0 415.449 3.969 50 0 HHAARM O=C(NCc1cccc(Cl)c1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722727 560798910 /nfs/dbraw/zinc/79/89/10/560798910.db2.gz UDUWGLASVJLOEJ-UHFFFAOYSA-N -1 0 419.868 3.734 50 0 HHAARM O=C(Nc1ccc(F)c(F)c1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723084 560799138 /nfs/dbraw/zinc/79/91/38/560799138.db2.gz GZJUWYCKDNPFGB-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000101797432 560801870 /nfs/dbraw/zinc/80/18/70/560801870.db2.gz YMVFPCQPSARHRW-GOSISDBHSA-N -1 0 421.432 3.667 50 0 HHAARM COc1ccc(Cl)cc1NCc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101802731 560802159 /nfs/dbraw/zinc/80/21/59/560802159.db2.gz VWNOCHNNCQUCCW-UHFFFAOYSA-N -1 0 409.877 3.591 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccccc1F ZINC000101835382 560803292 /nfs/dbraw/zinc/80/32/92/560803292.db2.gz KWMWWENQVIJPAH-IBGZPJMESA-N -1 0 406.417 3.820 50 0 HHAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4Cl)cnn32)cc1 ZINC000101836348 560803559 /nfs/dbraw/zinc/80/35/59/560803559.db2.gz VGTVAWLOAQAEKG-GOSISDBHSA-N -1 0 424.844 3.781 50 0 HHAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102478985 560811696 /nfs/dbraw/zinc/81/16/96/560811696.db2.gz LAQBAPRFEZGYCT-OALUTQOASA-N -1 0 419.416 3.591 50 0 HHAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)Cc3cccc(Cl)c3)cc2[n-]c1=S ZINC000102792112 560827695 /nfs/dbraw/zinc/82/76/95/560827695.db2.gz CNWCJHXCJADXPQ-GFCCVEGCSA-N -1 0 401.919 3.720 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccc(Cl)c2)cc1 ZINC000102810911 560829349 /nfs/dbraw/zinc/82/93/49/560829349.db2.gz ONULKZORZBMLQV-SFHVURJKSA-N -1 0 424.844 3.781 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@@H](c2ccc(F)cc2F)C1 ZINC000102810788 560829360 /nfs/dbraw/zinc/82/93/60/560829360.db2.gz OFBNJFNOTSFEBC-QGZVFWFLSA-N -1 0 414.343 3.536 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)cc1 ZINC000102820811 560829551 /nfs/dbraw/zinc/82/95/51/560829551.db2.gz XRIMMLMPWZVSEJ-SFHVURJKSA-N -1 0 424.844 3.781 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)cc1 ZINC000102820703 560829581 /nfs/dbraw/zinc/82/95/81/560829581.db2.gz LAWBBHCCWGZWOF-IBGZPJMESA-N -1 0 406.417 3.820 50 0 HHAARM Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000005747867 560869332 /nfs/dbraw/zinc/86/93/32/560869332.db2.gz SMGXEZAJSUAQJF-LMGFAJPXSA-N -1 0 409.441 3.630 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914367 560879132 /nfs/dbraw/zinc/87/91/32/560879132.db2.gz SDGNXIHTNFXNFX-UHFFFAOYSA-N -1 0 410.455 3.850 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3C)cc2C(=O)[O-])C1 ZINC000046053329 568425390 /nfs/dbraw/zinc/42/53/90/568425390.db2.gz ARXQISYFBSBLMF-INIZCTEOSA-N -1 0 410.470 3.725 50 0 HHAARM CCCCN(C)C(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000020331639 568599354 /nfs/dbraw/zinc/59/93/54/568599354.db2.gz WZPCGNHFRFGCKD-UHFFFAOYSA-N -1 0 416.547 3.978 50 0 HHAARM CC(=O)Nc1ccc(SCC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC000095424807 568607706 /nfs/dbraw/zinc/60/77/06/568607706.db2.gz XYGZJDOQLLFHIT-UHFFFAOYSA-N -1 0 422.453 3.519 50 0 HHAARM Cc1ccccc1CN(CC(=O)[O-])C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095424498 568607765 /nfs/dbraw/zinc/60/77/65/568607765.db2.gz OKNBPDLELLJWGP-UHFFFAOYSA-N -1 0 411.439 3.754 50 0 HHAARM COC(=O)C[C@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(C)[nH][nH]c1=O ZINC000095475431 568629810 /nfs/dbraw/zinc/62/98/10/568629810.db2.gz YBXOUTMYXRFZOM-GFCCVEGCSA-N -1 0 404.806 3.730 50 0 HHAARM C[C@H](NC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1)C12CC3CC(CC(C3)C1)C2 ZINC000020618516 568638417 /nfs/dbraw/zinc/63/84/17/568638417.db2.gz BJNOSISAHVUYID-HIGJEIRPSA-N -1 0 415.559 3.510 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cccc(C)c2)c(C)n1C ZINC000020989987 568655585 /nfs/dbraw/zinc/65/55/85/568655585.db2.gz GUIMWSISQOPGPS-UHFFFAOYSA-N -1 0 403.548 3.767 50 0 HHAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000020989091 568655616 /nfs/dbraw/zinc/65/56/16/568655616.db2.gz SQSQDDNIRROMKL-MSOLQXFVSA-N -1 0 421.844 3.797 50 0 HHAARM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2C1 ZINC000096096314 568688949 /nfs/dbraw/zinc/68/89/49/568688949.db2.gz RHWYQJFUMBCIAF-UHFFFAOYSA-N -1 0 415.298 3.919 50 0 HHAARM COC(=O)C[C@H](c1ccncc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115290 568695030 /nfs/dbraw/zinc/69/50/30/568695030.db2.gz BNDAHCHWXBLUNI-MRXNPFEDSA-N -1 0 417.417 3.961 50 0 biogenic HHAARM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)s4)c3)cn2n1 ZINC000012441352 568724161 /nfs/dbraw/zinc/72/41/61/568724161.db2.gz BTIXCGHZEFJWRA-UHFFFAOYSA-N -1 0 414.512 3.884 50 0 HHAARM CSc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096361238 568739214 /nfs/dbraw/zinc/73/92/14/568739214.db2.gz GTOHXBYAUVBAMS-UHFFFAOYSA-N -1 0 422.919 3.838 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)cc1OC ZINC000000890338 568740829 /nfs/dbraw/zinc/74/08/29/568740829.db2.gz ACZOMONSVCMHIW-QGZVFWFLSA-N -1 0 416.861 3.900 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccs3)C2)c(OC)c1 ZINC000097165287 568769650 /nfs/dbraw/zinc/76/96/50/568769650.db2.gz HNHUEFAIKVABDT-MRXNPFEDSA-N -1 0 402.472 3.698 50 0 HHAARM Brc1cnn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c1 ZINC000002809735 568812000 /nfs/dbraw/zinc/81/20/00/568812000.db2.gz PLBAUDAXCQJZKG-UHFFFAOYSA-N -1 0 416.308 3.534 50 0 HHAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000005925302 568829803 /nfs/dbraw/zinc/82/98/03/568829803.db2.gz FJHREKRVMRLMFN-KPKJPENVSA-N -1 0 408.483 3.546 50 0 HHAARM CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O ZINC000002971672 568831960 /nfs/dbraw/zinc/83/19/60/568831960.db2.gz CDITZQQFDIIOFR-UHFFFAOYSA-N -1 0 408.527 3.510 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)N[C@@H](C)CC)c(=O)c2cc1OCC ZINC000003010385 568838084 /nfs/dbraw/zinc/83/80/84/568838084.db2.gz ZAVPFJMDZJWADY-AWEZNQCLSA-N -1 0 421.563 3.941 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)N[C@H](C)CC)c(=O)c2cc1OCC ZINC000003010383 568838093 /nfs/dbraw/zinc/83/80/93/568838093.db2.gz ZAVPFJMDZJWADY-CQSZACIVSA-N -1 0 421.563 3.941 50 0 HHAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)NCc3ccco3)cc2[n-]c1=S ZINC000003043844 568848348 /nfs/dbraw/zinc/84/83/48/568848348.db2.gz NTHWNCZTPVKLGI-UHFFFAOYSA-N -1 0 421.478 3.639 50 0 HHAARM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000012541858 568848782 /nfs/dbraw/zinc/84/87/82/568848782.db2.gz SGBMDONPUCXUIQ-UHFFFAOYSA-N -1 0 410.451 3.919 50 0 HHAARM O=S(=O)([N-]c1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1F ZINC000012552549 568854395 /nfs/dbraw/zinc/85/43/95/568854395.db2.gz BWQZSHHEXMCVOE-UHFFFAOYSA-N -1 0 419.503 3.587 50 0 HHAARM CCOC(=O)c1[nH]c(C)c(CN(C(=O)CCCC(=O)[O-])c2ccc(F)cc2)c1C ZINC000003622348 568864440 /nfs/dbraw/zinc/86/44/40/568864440.db2.gz COPMSAIAOOVTDU-UHFFFAOYSA-N -1 0 404.438 3.735 50 0 HHAARM CCCc1cc2c(cc1OCC(=O)[O-])oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000001236248 568897033 /nfs/dbraw/zinc/89/70/33/568897033.db2.gz YDXTVSBDAJSKCZ-UHFFFAOYSA-N -1 0 410.422 3.956 50 0 biogenic HHAARM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000001282208 568910608 /nfs/dbraw/zinc/91/06/08/568910608.db2.gz MOJZKNGGMLTADH-UHFFFAOYSA-N -1 0 402.863 3.637 50 0 HHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(Br)c1 ZINC000012776666 568955154 /nfs/dbraw/zinc/95/51/54/568955154.db2.gz QAFDCFPHXYZCNQ-UHFFFAOYSA-N -1 0 418.266 3.947 50 0 HHAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1 ZINC000004270519 568956817 /nfs/dbraw/zinc/95/68/17/568956817.db2.gz GJOPDMVVNHJTKU-UHFFFAOYSA-N -1 0 410.499 3.763 50 0 HHAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000008053159 568970824 /nfs/dbraw/zinc/97/08/24/568970824.db2.gz KJIBCWKTKQHDCW-UHFFFAOYSA-N -1 0 402.785 3.740 50 0 HHAARM O=C([O-])C[C@H]1Sc2nnc(COc3ccc(Cl)cc3)n2N=C1c1ccccc1 ZINC000008394143 568998815 /nfs/dbraw/zinc/99/88/15/568998815.db2.gz UPQVDRMVPYQRAQ-OAHLLOKOSA-N -1 0 414.874 3.712 50 0 HHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000015782030 569002870 /nfs/dbraw/zinc/00/28/70/569002870.db2.gz WXXMUPOTWWILAU-INIZCTEOSA-N -1 0 406.385 3.588 50 0 HHAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000012898821 569020477 /nfs/dbraw/zinc/02/04/77/569020477.db2.gz PPYMCDPMMWYNEE-KRWDZBQOSA-N -1 0 415.486 3.507 50 0 biogenic HHAARM COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012923700 569023411 /nfs/dbraw/zinc/02/34/11/569023411.db2.gz KSKUFSCKGOZMBV-UHFFFAOYSA-N -1 0 423.537 3.908 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000020723057 569031219 /nfs/dbraw/zinc/03/12/19/569031219.db2.gz JKPNAPSLYBTZHJ-IIBYNOLFSA-N -1 0 408.454 3.669 50 0 HHAARM Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397423 569034864 /nfs/dbraw/zinc/03/48/64/569034864.db2.gz FTJPKVFFLIRLNV-UHFFFAOYSA-N -1 0 403.504 3.578 50 0 HHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000035397393 569034906 /nfs/dbraw/zinc/03/49/06/569034906.db2.gz CFSYXSJUOIUMPB-UHFFFAOYSA-N -1 0 409.483 3.655 50 0 HHAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000035539438 569043659 /nfs/dbraw/zinc/04/36/59/569043659.db2.gz DVUNQHRCYDYVDV-UHFFFAOYSA-N -1 0 419.484 3.556 50 0 HHAARM COCCN1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc21 ZINC000035588244 569046175 /nfs/dbraw/zinc/04/61/75/569046175.db2.gz FTLYTGQGELHVNL-UHFFFAOYSA-N -1 0 404.532 3.512 50 0 HHAARM Cc1cccc(C(=O)NCc2n[n-]c(=S)n2-c2ccc(Br)cc2)c1 ZINC000006422285 569048434 /nfs/dbraw/zinc/04/84/34/569048434.db2.gz KKZYMSRBFZASAZ-UHFFFAOYSA-N -1 0 403.305 3.931 50 0 HHAARM COc1ccccc1C1(CNC(=O)C[C@H](CC(=O)[O-])c2cccs2)CCOCC1 ZINC000090607331 569049009 /nfs/dbraw/zinc/04/90/09/569049009.db2.gz AUQUTVWUKGPTPH-MRXNPFEDSA-N -1 0 417.527 3.570 50 0 HHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OC)c1=O ZINC000100701470 569069831 /nfs/dbraw/zinc/06/98/31/569069831.db2.gz QDCPWUUQPLGLQP-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 biogenic HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000006623255 569075091 /nfs/dbraw/zinc/07/50/91/569075091.db2.gz RKWBLNPKNOXKLJ-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000064774699 569093310 /nfs/dbraw/zinc/09/33/10/569093310.db2.gz CZVNVGZHQDWWRZ-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C)c1 ZINC000064820547 569102660 /nfs/dbraw/zinc/10/26/60/569102660.db2.gz VSKCTMRCVKAGMN-UHFFFAOYSA-N -1 0 420.513 3.975 50 0 HHAARM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920557 569121091 /nfs/dbraw/zinc/12/10/91/569121091.db2.gz OLGBKFDAIDVEFV-UHFFFAOYSA-N -1 0 405.457 3.595 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)c1 ZINC000064947327 569129357 /nfs/dbraw/zinc/12/93/57/569129357.db2.gz AVCSMZDXRBUQAW-UHFFFAOYSA-N -1 0 413.499 3.775 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)c1 ZINC000064979418 569140339 /nfs/dbraw/zinc/14/03/39/569140339.db2.gz ZWURDJVTDKXKJK-UHFFFAOYSA-N -1 0 416.455 3.636 50 0 HHAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036360560 569151847 /nfs/dbraw/zinc/15/18/47/569151847.db2.gz YGSHELRFQMNCII-JOCHJYFZSA-N -1 0 406.482 3.957 50 0 HHAARM CN1c2ccc(F)cc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036367324 569152863 /nfs/dbraw/zinc/15/28/63/569152863.db2.gz AXMQOEOCZDRPSO-JOCHJYFZSA-N -1 0 422.437 3.857 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006935220 569186085 /nfs/dbraw/zinc/18/60/85/569186085.db2.gz MOVUOXFQSPBHDZ-OAHLLOKOSA-N -1 0 414.527 3.964 50 0 HHAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000006948819 569188276 /nfs/dbraw/zinc/18/82/76/569188276.db2.gz ZKJDGVKTOLXJKP-UHFFFAOYSA-N -1 0 404.669 3.690 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C2CC2)o1 ZINC000065194178 569192732 /nfs/dbraw/zinc/19/27/32/569192732.db2.gz QYBZQOBKILNAGV-UHFFFAOYSA-N -1 0 416.503 3.687 50 0 HHAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cnn(-c3cccc(C)c3)c2[nH]c1=O ZINC000065250063 569206039 /nfs/dbraw/zinc/20/60/39/569206039.db2.gz GCEFZHCXXNFLLB-UHFFFAOYSA-N -1 0 424.844 3.642 50 0 HHAARM CCc1ccc(-c2noc(-c3c([O-])c4cnn(-c5ccc(F)cc5)c4[nH]c3=O)n2)cc1 ZINC000065256918 569208537 /nfs/dbraw/zinc/20/85/37/569208537.db2.gz UWNZBJHMUNEASS-UHFFFAOYSA-N -1 0 417.400 3.838 50 0 HHAARM CCc1ccc(-c2noc(-c3c([O-])c4cnn(Cc5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256921 569208560 /nfs/dbraw/zinc/20/85/60/569208560.db2.gz FYZHNHWDXKFYKW-UHFFFAOYSA-N -1 0 413.437 3.758 50 0 HHAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002102215 569281488 /nfs/dbraw/zinc/28/14/88/569281488.db2.gz AEVSCGYGTFUZIY-UHFFFAOYSA-N -1 0 411.454 3.558 50 0 biogenic HHAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002104174 569282067 /nfs/dbraw/zinc/28/20/67/569282067.db2.gz TWXJEQAZBVNJCP-MNVSYLFESA-N -1 0 403.475 3.518 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000002108343 569283736 /nfs/dbraw/zinc/28/37/36/569283736.db2.gz OBMAGMUWXPNRSR-JKSUJKDBSA-N -1 0 417.502 3.889 50 0 biogenic HHAARM CC(C)Oc1c(I)cc(Br)cc1/C=C/C(=O)[O-] ZINC000022077376 569284329 /nfs/dbraw/zinc/28/43/29/569284329.db2.gz GDSTWLDMBVOAKB-ONEGZZNKSA-N -1 0 411.033 3.939 50 0 HHAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002157235 569290387 /nfs/dbraw/zinc/29/03/87/569290387.db2.gz MAZNTMSQDCJWIO-WMLDXEAASA-N -1 0 403.475 3.581 50 0 biogenic HHAARM CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737575 569356757 /nfs/dbraw/zinc/35/67/57/569356757.db2.gz LWRDLHJGJHYCHO-YWZLYKJASA-N -1 0 423.465 3.843 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)c(Br)c1 ZINC000002303029 569372233 /nfs/dbraw/zinc/37/22/33/569372233.db2.gz DSBHCZBPWIHXSV-UHFFFAOYSA-N -1 0 413.271 3.977 50 0 HHAARM O=C([O-])CCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000002344407 569376632 /nfs/dbraw/zinc/37/66/32/569376632.db2.gz CPIYMYCVLKAFBT-QGZVFWFLSA-N -1 0 423.860 3.791 50 0 HHAARM CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012658799 569402490 /nfs/dbraw/zinc/40/24/90/569402490.db2.gz NMRMMCZURGCYED-FCHJFACESA-N -1 0 403.519 3.727 50 0 biogenic HHAARM CCOC(=O)C1=C(C)N(c2ccc(CC(=O)[O-])cc2)C(=O)N[C@H]1c1ccccc1F ZINC000040152338 571200079 /nfs/dbraw/zinc/20/00/79/571200079.db2.gz UEUUKECBXUWROR-FQEVSTJZSA-N -1 0 412.417 3.561 50 0 HHAARM COc1ccc2c(C)nc([N-]c3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc2c1 ZINC000009477844 571261900 /nfs/dbraw/zinc/26/19/00/571261900.db2.gz QDXZXBFJGVXZBD-ZDUSSCGKSA-N -1 0 401.426 3.986 50 0 HHAARM CC1(C)Cc2c(sc3nc(=O)n4nc(COc5ccc(Cl)cc5)[n-]c4c23)CO1 ZINC000009486816 571262397 /nfs/dbraw/zinc/26/23/97/571262397.db2.gz SIHAQNDAKFGPRJ-UHFFFAOYSA-N -1 0 416.890 3.716 50 0 HHAARM Cc1cccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000009492174 571262898 /nfs/dbraw/zinc/26/28/98/571262898.db2.gz ULHUCMCHDWCJFE-UHFFFAOYSA-N -1 0 422.553 3.967 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)cc1 ZINC000009646568 571276603 /nfs/dbraw/zinc/27/66/03/571276603.db2.gz PUDYQSTWEQNPPV-UHFFFAOYSA-N -1 0 419.480 3.665 50 0 HHAARM Cc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000033929835 571310649 /nfs/dbraw/zinc/31/06/49/571310649.db2.gz AWVVWIGVSKMSGW-YDYPUGOESA-N -1 0 405.450 3.838 50 0 HHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)Cc2ccccc2N2CCCCC2)c1C ZINC000012607615 132365111 /nfs/dbraw/zinc/36/51/11/132365111.db2.gz QZWONURIWDSCJY-UHFFFAOYSA-N -1 0 416.543 3.813 50 0 HHAARM COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000013460515 132455638 /nfs/dbraw/zinc/45/56/38/132455638.db2.gz HXXOIVLERTZLGG-IBGZPJMESA-N -1 0 410.495 3.884 50 0 HHAARM CC[C@@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032948600 522170751 /nfs/dbraw/zinc/17/07/51/522170751.db2.gz KLIGDERRLITVIW-LLVKDONJSA-N -1 0 420.585 3.820 50 0 HHAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000045945968 523897842 /nfs/dbraw/zinc/89/78/42/523897842.db2.gz QGKLERSDRFVBMU-UHFFFAOYSA-N -1 0 404.488 3.733 50 0 HHAARM C[C@@](CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000032771976 525739056 /nfs/dbraw/zinc/73/90/56/525739056.db2.gz IWIQUYCJTOZTEV-NRFANRHFSA-N -1 0 400.862 3.838 50 0 HHAARM Cc1c2c(cc(=O)n1Cc1ccc(F)cc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000030822906 525932356 /nfs/dbraw/zinc/93/23/56/525932356.db2.gz JJMFYQBTSWQGKO-UHFFFAOYSA-N -1 0 406.442 3.586 50 0 HHAARM O=C([O-])c1cc(N2C(=O)c3cccc4cc(Br)cc(c43)C2=O)ccc1O ZINC000000832949 526348713 /nfs/dbraw/zinc/34/87/13/526348713.db2.gz YIMHALOAULKDIC-UHFFFAOYSA-N -1 0 412.195 3.807 50 0 HHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCc3sccc3C2)c1 ZINC000032915905 526394659 /nfs/dbraw/zinc/39/46/59/526394659.db2.gz XQZQXXVOOJXKPL-UHFFFAOYSA-N -1 0 414.508 3.810 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012422066 527572038 /nfs/dbraw/zinc/57/20/38/527572038.db2.gz JUUJDWOSCQKUAD-LJQANCHMSA-N -1 0 408.845 3.826 50 0 HHAARM CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]c(=S)[nH]c1=S ZINC000001839742 534944205 /nfs/dbraw/zinc/94/42/05/534944205.db2.gz CRXMKCAMDFYLMJ-UHFFFAOYSA-N -1 0 420.585 3.505 50 0 HHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1c(F)cccc1F ZINC000012852189 535589787 /nfs/dbraw/zinc/58/97/87/535589787.db2.gz BIOGQTGASMOGBJ-GOSISDBHSA-N -1 0 416.380 3.771 50 0 HHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)CC ZINC000012180382 535712167 /nfs/dbraw/zinc/71/21/67/535712167.db2.gz BNEKIOGRCLVZIS-UHFFFAOYSA-N -1 0 402.516 3.884 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000627394 557023607 /nfs/dbraw/zinc/02/36/07/557023607.db2.gz NWIWDICBYPXQKP-KGLIPLIRSA-N -1 0 400.381 3.823 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 ZINC000000652083 557039036 /nfs/dbraw/zinc/03/90/36/557039036.db2.gz STLXVYKRYLZSGP-UHFFFAOYSA-N -1 0 416.890 3.800 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1C ZINC000000715556 557067944 /nfs/dbraw/zinc/06/79/44/557067944.db2.gz UJLORLRMVJKFMV-UHFFFAOYSA-N -1 0 405.863 3.998 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000000867587 557106572 /nfs/dbraw/zinc/10/65/72/557106572.db2.gz NZAVOFJCIPEOMT-KRWDZBQOSA-N -1 0 401.260 3.992 50 0 HHAARM COc1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)c(C(=O)[O-])cc1OC ZINC000001038827 557152054 /nfs/dbraw/zinc/15/20/54/557152054.db2.gz LORFFZAQIFUMLR-UHFFFAOYSA-N -1 0 404.728 3.722 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1C ZINC000001129020 557196969 /nfs/dbraw/zinc/19/69/69/557196969.db2.gz MBMGELDVMLBSHZ-UHFFFAOYSA-N -1 0 410.495 3.734 50 0 HHAARM Cc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000001178009 557228813 /nfs/dbraw/zinc/22/88/13/557228813.db2.gz MUCRPUNCHJSUSG-UHFFFAOYSA-N -1 0 404.422 3.963 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1 ZINC000001196235 557237690 /nfs/dbraw/zinc/23/76/90/557237690.db2.gz NYFKFHUEHQYNQP-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccccc2)N1C(=S)Nc1ccc(Cl)cc1 ZINC000022628242 557271481 /nfs/dbraw/zinc/27/14/81/557271481.db2.gz DRMSYIXZHMSHRM-AEFFLSMTSA-N -1 0 412.902 3.861 50 0 HHAARM CC(C)(C)OC(=O)CN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002547867 557356034 /nfs/dbraw/zinc/35/60/34/557356034.db2.gz FZHJLRKZIINJMC-UHFFFAOYSA-N -1 0 411.454 3.664 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000002882211 557419984 /nfs/dbraw/zinc/41/99/84/557419984.db2.gz YRCJOWZKCSUOFH-UHFFFAOYSA-N -1 0 400.294 3.966 50 0 HHAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763261 557460323 /nfs/dbraw/zinc/46/03/23/557460323.db2.gz JMKLZJMJQYFQOE-UHFFFAOYSA-N -1 0 406.486 3.672 50 0 HHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764988 557461714 /nfs/dbraw/zinc/46/17/14/557461714.db2.gz UVKQDDNBCNCSOG-QGZVFWFLSA-N -1 0 420.513 3.713 50 0 HHAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004809400 557599668 /nfs/dbraw/zinc/59/96/68/557599668.db2.gz NLFQQAKEVDRIIV-UHFFFAOYSA-N -1 0 410.451 3.511 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1OC ZINC000004877422 557609040 /nfs/dbraw/zinc/60/90/40/557609040.db2.gz BBDQPNNLODBQDW-UHFFFAOYSA-N -1 0 418.515 3.567 50 0 HHAARM O=C([O-])CCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000006668299 557713200 /nfs/dbraw/zinc/71/32/00/557713200.db2.gz UAIMVOOPXONAJG-JOCHJYFZSA-N -1 0 400.906 3.829 50 0 HHAARM CCn1cc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)c(Cl)c3)c2)c(C)n1 ZINC000002804854 557763595 /nfs/dbraw/zinc/76/35/95/557763595.db2.gz ZVCARQPJQDGKSS-UHFFFAOYSA-N -1 0 414.318 3.564 50 0 HHAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000020745594 558410586 /nfs/dbraw/zinc/41/05/86/558410586.db2.gz IQBKILQSDZOWHP-LBPRGKRZSA-N -1 0 414.405 3.954 50 0 HHAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C)C1=O ZINC000004345229 558427292 /nfs/dbraw/zinc/42/72/92/558427292.db2.gz GJHROHMMTCZNCU-STZFKDTASA-N -1 0 416.481 3.932 50 0 HHAARM CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191468 558563078 /nfs/dbraw/zinc/56/30/78/558563078.db2.gz YLUGUHSVHYPMGZ-UHFFFAOYSA-N -1 0 424.526 3.954 50 0 HHAARM NC(=O)[C@@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000023844573 558577470 /nfs/dbraw/zinc/57/74/70/558577470.db2.gz AFIZRKWYMWGKRF-AWEZNQCLSA-N -1 0 402.907 3.557 50 0 HHAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000014020410 558614086 /nfs/dbraw/zinc/61/40/86/558614086.db2.gz CQNTWXGFGNDYLC-NSHDSACASA-N -1 0 413.826 3.915 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ncccc2C)ccc1C ZINC000024982360 558624318 /nfs/dbraw/zinc/62/43/18/558624318.db2.gz LPZNKYJGKKZSRD-UHFFFAOYSA-N -1 0 411.483 3.760 50 0 HHAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1OC ZINC000026536466 558662784 /nfs/dbraw/zinc/66/27/84/558662784.db2.gz COACCFNYVRJXMH-UHFFFAOYSA-N -1 0 423.491 3.528 50 0 HHAARM CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000014826149 558674286 /nfs/dbraw/zinc/67/42/86/558674286.db2.gz ZUBFZUDFSNMFDR-UHFFFAOYSA-N -1 0 410.499 3.709 50 0 HHAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000015768439 558752100 /nfs/dbraw/zinc/75/21/00/558752100.db2.gz QEBPLDMXOBQNCL-RCCKNPSSSA-N -1 0 416.433 3.803 50 0 biogenic HHAARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000015724035 558773728 /nfs/dbraw/zinc/77/37/28/558773728.db2.gz CESIRSTWILZTFW-GASCZTMLSA-N -1 0 409.825 3.725 50 0 HHAARM Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000000912897 558774833 /nfs/dbraw/zinc/77/48/33/558774833.db2.gz ULPMGUWKNSYGEL-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(Br)cc1 ZINC000016202846 558778422 /nfs/dbraw/zinc/77/84/22/558778422.db2.gz WAZYJXYPFIUCRN-UHFFFAOYSA-N -1 0 418.266 3.947 50 0 HHAARM CC(C)CC(=O)N1CCC(NC(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000072311890 558797709 /nfs/dbraw/zinc/79/77/09/558797709.db2.gz DOKVYRZYBCLDTQ-UHFFFAOYSA-N -1 0 417.731 3.575 50 0 HHAARM O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000017082354 558814467 /nfs/dbraw/zinc/81/44/67/558814467.db2.gz PPAKWVWPWHRUIW-UHFFFAOYSA-N -1 0 402.422 3.696 50 0 HHAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@@H](C)C2 ZINC000017087443 558816308 /nfs/dbraw/zinc/81/63/08/558816308.db2.gz FVNWFVJGTYFRCU-OLZOCXBDSA-N -1 0 406.548 3.985 50 0 HHAARM CCCCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000017087694 558816472 /nfs/dbraw/zinc/81/64/72/558816472.db2.gz KWNIDUBNMXXTJN-UHFFFAOYSA-N -1 0 407.488 3.634 50 0 HHAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000017089159 558817724 /nfs/dbraw/zinc/81/77/24/558817724.db2.gz NBCMBGKHRJMGEP-JKSUJKDBSA-N -1 0 412.467 3.809 50 0 HHAARM NC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017093987 558822378 /nfs/dbraw/zinc/82/23/78/558822378.db2.gz WSSQOBWVDYQCNW-DNDXXGFKSA-N -1 0 424.522 3.688 50 0 HHAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000017115228 558822959 /nfs/dbraw/zinc/82/29/59/558822959.db2.gz HHIKEXDNCWBHKW-UHFFFAOYSA-N -1 0 418.906 3.671 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc32)ccc1C ZINC000018286225 558835459 /nfs/dbraw/zinc/83/54/59/558835459.db2.gz FQEILCHYQFZFDF-UHFFFAOYSA-N -1 0 421.478 3.708 50 0 HHAARM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)n1 ZINC000033078173 558867737 /nfs/dbraw/zinc/86/77/37/558867737.db2.gz QTGCRLUWGFGZGT-UHFFFAOYSA-N -1 0 401.467 3.535 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004661634 558874687 /nfs/dbraw/zinc/87/46/87/558874687.db2.gz DOMDEUHFZBMUKY-YADHBBJMSA-N -1 0 423.488 3.758 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004661636 558874728 /nfs/dbraw/zinc/87/47/28/558874728.db2.gz DOMDEUHFZBMUKY-FGZHOGPDSA-N -1 0 423.488 3.758 50 0 HHAARM O=C([O-])c1ccccc1-c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 ZINC000071575921 558905396 /nfs/dbraw/zinc/90/53/96/558905396.db2.gz MUTAKVSMAKNYBS-UHFFFAOYSA-N -1 0 403.438 3.525 50 0 HHAARM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000058162664 558906264 /nfs/dbraw/zinc/90/62/64/558906264.db2.gz JTJIHFYYYZFXKE-UHFFFAOYSA-N -1 0 424.347 3.898 50 0 HHAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253452 558921474 /nfs/dbraw/zinc/92/14/74/558921474.db2.gz XROMJKCGUZGSST-UHFFFAOYSA-N -1 0 414.458 3.961 50 0 HHAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253470 558921551 /nfs/dbraw/zinc/92/15/51/558921551.db2.gz RXIUZKODAGDBNQ-UHFFFAOYSA-N -1 0 414.458 3.961 50 0 HHAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(=O)n21 ZINC000033256311 558923749 /nfs/dbraw/zinc/92/37/49/558923749.db2.gz LVKFENPNDJAMQP-UHFFFAOYSA-N -1 0 419.915 3.980 50 0 HHAARM CS(=O)(=O)c1cc(NC(=O)c2ccc(C3SCCS3)cc2)cc(C(=O)[O-])c1 ZINC000097018984 558988057 /nfs/dbraw/zinc/98/80/57/558988057.db2.gz CWBQJBMLJPKTRD-UHFFFAOYSA-N -1 0 423.537 3.519 50 0 HHAARM Cc1ccc(C(=O)N2CCc3c(nc4cc(-c5ccccc5Cl)[n-]n4c3=O)C2)s1 ZINC000097151757 558997346 /nfs/dbraw/zinc/99/73/46/558997346.db2.gz SQGLXHFFWCCHRB-UHFFFAOYSA-N -1 0 424.913 3.911 50 0 HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000023125718 559013815 /nfs/dbraw/zinc/01/38/15/559013815.db2.gz MTUIJAMFYCPSIU-IAGOWNOFSA-N -1 0 413.275 3.818 50 0 HHAARM O=C([O-])[C@H]1[C@@H]2CCC(=O)C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095743155 559088443 /nfs/dbraw/zinc/08/84/43/559088443.db2.gz NIRUKWHZKOUGIS-GZWGPKMKSA-N -1 0 405.450 3.690 50 0 HHAARM CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)[O-])C(C)(C)C[C@@H]3C ZINC000100079929 559129639 /nfs/dbraw/zinc/12/96/39/559129639.db2.gz WNDDWSAHNYBXKY-ZDUSSCGKSA-N -1 0 401.459 3.927 50 0 in-vitro HHAARM O=C1N[C@H](c2c(F)cccc2Cl)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000100736550 559138851 /nfs/dbraw/zinc/13/88/51/559138851.db2.gz BFDBJKZLOJVEMP-YWPYICTPSA-N -1 0 422.787 3.645 50 0 HHAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000014061806 559147498 /nfs/dbraw/zinc/14/74/98/559147498.db2.gz HAZSYXBLHPZXDP-UHFFFAOYSA-N -1 0 407.451 3.587 50 0 HHAARM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1c([O-])cc(F)cc1F ZINC000061637906 559287473 /nfs/dbraw/zinc/28/74/73/559287473.db2.gz HECQLBQTNZYNPA-UHFFFAOYSA-N -1 0 406.392 3.848 50 0 HHAARM C[C@H](N=NC(=N)S[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O)c1ccccc1 ZINC000140501983 559291342 /nfs/dbraw/zinc/29/13/42/559291342.db2.gz ZAZHRZLVVYXGCW-WJKSYHCSSA-N -1 0 410.455 3.898 50 0 HHAARM COC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccccc1Cl ZINC000033914862 559292323 /nfs/dbraw/zinc/29/23/23/559292323.db2.gz ORGBJWNQTJUKDV-GOSISDBHSA-N -1 0 414.845 3.752 50 0 HHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C)c(N2CCCCC2=O)c1 ZINC000005330146 560565717 /nfs/dbraw/zinc/56/57/17/560565717.db2.gz OTPFMUNJGURZFL-UHFFFAOYSA-N -1 0 402.516 3.938 50 0 HHAARM CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000005390637 560581976 /nfs/dbraw/zinc/58/19/76/560581976.db2.gz VSUDFXQNHJRNJV-SFHVURJKSA-N -1 0 418.534 3.571 50 0 HHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1)O[C@H](C)C2 ZINC000017520569 560717680 /nfs/dbraw/zinc/71/76/80/560717680.db2.gz GHMABNGTTSZPJR-LLVKDONJSA-N -1 0 412.305 3.972 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2ccccc2s1 ZINC000018113956 560775938 /nfs/dbraw/zinc/77/59/38/560775938.db2.gz UUADYXACYFCJSE-UHFFFAOYSA-N -1 0 410.480 3.744 50 0 HHAARM Cc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000101583447 560797275 /nfs/dbraw/zinc/79/72/75/560797275.db2.gz NTEOWGXPTUZWGU-UHFFFAOYSA-N -1 0 407.861 3.535 50 0 HHAARM C[C@H](NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O)c1ccc(F)cc1 ZINC000101722570 560798896 /nfs/dbraw/zinc/79/88/96/560798896.db2.gz MKPRISKMKZXOAH-ZDUSSCGKSA-N -1 0 421.403 3.861 50 0 HHAARM C[C@H](NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O)c1ccc(F)cc1 ZINC000101722696 560798943 /nfs/dbraw/zinc/79/89/43/560798943.db2.gz SZVMRCMZUXIJKG-HNNXBMFYSA-N -1 0 417.440 3.781 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(C)cc3)c([O-])c3cccnc32)cc1 ZINC000101723456 560799196 /nfs/dbraw/zinc/79/91/96/560799196.db2.gz SMGLDCLJRSJKAT-UHFFFAOYSA-N -1 0 401.422 3.661 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@H](c2cccc(Cl)c2)C1 ZINC000101835522 560803269 /nfs/dbraw/zinc/80/32/69/560803269.db2.gz FPRUKFNCAJOUGU-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)cc1 ZINC000101836150 560803513 /nfs/dbraw/zinc/80/35/13/560803513.db2.gz PQUJTKSEHHKAJS-IBGZPJMESA-N -1 0 422.416 3.657 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)cc1 ZINC000101836146 560803546 /nfs/dbraw/zinc/80/35/46/560803546.db2.gz PQUJTKSEHHKAJS-LJQANCHMSA-N -1 0 422.416 3.657 50 0 HHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 ZINC000101836535 560803670 /nfs/dbraw/zinc/80/36/70/560803670.db2.gz HNSCJLQIXNAHPT-IBGZPJMESA-N -1 0 418.453 3.826 50 0 HHAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000101836391 560803678 /nfs/dbraw/zinc/80/36/78/560803678.db2.gz JJIUYQYTLKQOHH-GOSISDBHSA-N -1 0 424.844 3.781 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(OC)cc2)cc1 ZINC000101836357 560803680 /nfs/dbraw/zinc/80/36/80/560803680.db2.gz GFZDUKBREKYCNP-FQEVSTJZSA-N -1 0 418.453 3.690 50 0 HHAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)c1 ZINC000102810711 560829338 /nfs/dbraw/zinc/82/93/38/560829338.db2.gz SCKUWCSYDRLBOY-SFHVURJKSA-N -1 0 424.844 3.781 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccccc1Cl ZINC000102901348 560834939 /nfs/dbraw/zinc/83/49/39/560834939.db2.gz PJTQYGSITDPOFQ-KRWDZBQOSA-N -1 0 424.844 3.781 50 0 HHAARM [O-]C(c1cccs1)=C1[C@H](c2ccccc2Cl)NC(=S)N[C@]1(O)C(F)(F)F ZINC000102912133 560835330 /nfs/dbraw/zinc/83/53/30/560835330.db2.gz KKZCBLLRQNFTEP-SLEUVZQESA-N -1 0 420.865 3.670 50 0 HHAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213461 560886466 /nfs/dbraw/zinc/88/64/66/560886466.db2.gz VWMSGKXXLKFYFK-LALPHHSUSA-N -1 0 404.797 3.505 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000046053387 568425387 /nfs/dbraw/zinc/42/53/87/568425387.db2.gz ZBLMYCWQCFGLFD-UHFFFAOYSA-N -1 0 414.433 3.556 50 0 HHAARM COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000658015 568459673 /nfs/dbraw/zinc/45/96/73/568459673.db2.gz VHSCPFBKODKXLT-RCCKNPSSSA-N -1 0 416.433 3.803 50 0 HHAARM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000033253891 568512097 /nfs/dbraw/zinc/51/20/97/568512097.db2.gz XMJZWIYOPVXCGL-UHFFFAOYSA-N -1 0 402.516 3.984 50 0 HHAARM Cc1c(Cc2ccccc2)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(N)=O ZINC000000794211 568605077 /nfs/dbraw/zinc/60/50/77/568605077.db2.gz BANHQLBNKVOICA-LSDHHAIUSA-N -1 0 400.500 3.576 50 0 HHAARM COC(=O)C[C@@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccc(Cl)cc1Cl ZINC000095482137 568634166 /nfs/dbraw/zinc/63/41/66/568634166.db2.gz UTNLLUNXXDFETP-OAHLLOKOSA-N -1 0 400.258 3.669 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)n1C ZINC000021030526 568659190 /nfs/dbraw/zinc/65/91/90/568659190.db2.gz VTOGCTBNMPQWEY-UHFFFAOYSA-N -1 0 403.548 3.623 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)n1C ZINC000021030484 568659277 /nfs/dbraw/zinc/65/92/77/568659277.db2.gz DOGUFFVAMLCICC-UHFFFAOYSA-N -1 0 421.538 3.762 50 0 HHAARM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000095970655 568671530 /nfs/dbraw/zinc/67/15/30/568671530.db2.gz NWGGZEKYZKPMRD-KGLIPLIRSA-N -1 0 402.516 3.500 50 0 HHAARM CCOc1cc(C(=O)[O-])cc(I)c1OC(=O)c1ccccc1 ZINC000227156959 568699898 /nfs/dbraw/zinc/69/98/98/568699898.db2.gz QKTYVJWTLRHCNY-UHFFFAOYSA-N -1 0 412.179 3.607 50 0 HHAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000000852084 568712316 /nfs/dbraw/zinc/71/23/16/568712316.db2.gz OWWJXKVHFQIMHE-MDWZMJQESA-N -1 0 422.510 3.855 50 0 HHAARM O=C([O-])[C@@H]1CS[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000003013672 568726810 /nfs/dbraw/zinc/72/68/10/568726810.db2.gz MUWVWLDETLYPGV-HOCLYGCPSA-N -1 0 412.280 3.955 50 0 HHAARM O=C([O-])CCCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 ZINC000097165284 568769613 /nfs/dbraw/zinc/76/96/13/568769613.db2.gz OQLWCMPOFPGWOU-HNNXBMFYSA-N -1 0 405.248 3.975 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCC1 ZINC000001130824 568773768 /nfs/dbraw/zinc/77/37/68/568773768.db2.gz FHZFLXHJVJHPBR-UHFFFAOYSA-N -1 0 415.334 3.547 50 0 HHAARM CC[C@@H](C)NC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000299738354 568781343 /nfs/dbraw/zinc/78/13/43/568781343.db2.gz ZHLNAIHTYNUVGC-ZCFIWIBFSA-N -1 0 418.085 3.699 50 0 HHAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000001737566 568827405 /nfs/dbraw/zinc/82/74/05/568827405.db2.gz KWYQARXQKGXRPM-MRXNPFEDSA-N -1 0 423.465 3.989 50 0 biogenic HHAARM CCCOc1ccc(C(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1OCCC ZINC000005950386 568831721 /nfs/dbraw/zinc/83/17/21/568831721.db2.gz XRDXWHQDXHGMIS-BTYIYWSLSA-N -1 0 407.507 3.843 50 0 HHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012525859 568842883 /nfs/dbraw/zinc/84/28/83/568842883.db2.gz WNQBHUZHOSBUTC-UHFFFAOYSA-N -1 0 410.698 3.751 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1Br)N1CCCCC1 ZINC000012548671 568851871 /nfs/dbraw/zinc/85/18/71/568851871.db2.gz NJLGUDWOWVQJBH-UHFFFAOYSA-N -1 0 423.332 3.876 50 0 HHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(Br)c1)O[C@H](C)C2 ZINC000012560676 568858061 /nfs/dbraw/zinc/85/80/61/568858061.db2.gz HKFPGRNVNBMECG-LLVKDONJSA-N -1 0 412.305 3.972 50 0 HHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000003626814 568864890 /nfs/dbraw/zinc/86/48/90/568864890.db2.gz DJWYQGXRSVXQRK-INIZCTEOSA-N -1 0 421.877 3.685 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1c(Cl)cccc1Cl ZINC000012584844 568865962 /nfs/dbraw/zinc/86/59/62/568865962.db2.gz BAYGDODLNACYJQ-UHFFFAOYSA-N -1 0 410.286 3.783 50 0 HHAARM CN(C(=O)c1cccs1)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000003256708 568868509 /nfs/dbraw/zinc/86/85/09/568868509.db2.gz SUTKAFWCSCJRLY-UHFFFAOYSA-N -1 0 410.451 3.740 50 0 HHAARM COc1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)C2=O)cc1 ZINC000299804145 568876904 /nfs/dbraw/zinc/87/69/04/568876904.db2.gz CLMRRTRHVAXITA-KRWDZBQOSA-N -1 0 411.845 3.595 50 0 HHAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCC[C@H]4C(=O)[O-])c(=O)oc3c2C)c1C ZINC000004061988 568881583 /nfs/dbraw/zinc/88/15/83/568881583.db2.gz HAQDGIUSJWXJOO-SFHVURJKSA-N -1 0 411.454 3.781 50 0 biogenic HHAARM COc1cc(OC)c(N(C)C(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1Cl ZINC000004192577 568950465 /nfs/dbraw/zinc/95/04/65/568950465.db2.gz SDBUKXCFWJXKOQ-UHFFFAOYSA-N -1 0 416.861 3.753 50 0 HHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)cc1 ZINC000004317297 568962454 /nfs/dbraw/zinc/96/24/54/568962454.db2.gz YRYDMTGFFYICAE-UHFFFAOYSA-N -1 0 400.891 3.861 50 0 HHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)[n-]c2=O)cc1 ZINC000004317350 568962664 /nfs/dbraw/zinc/96/26/64/568962664.db2.gz WJCIQUBMXAYJAS-UHFFFAOYSA-N -1 0 400.891 3.861 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)c1C ZINC000008195599 568982302 /nfs/dbraw/zinc/98/23/02/568982302.db2.gz FCOUJRKJCQPDPY-UHFFFAOYSA-N -1 0 404.423 3.875 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 ZINC000011907519 568987385 /nfs/dbraw/zinc/98/73/85/568987385.db2.gz QQOXWGXXCPBXIK-UHFFFAOYSA-N -1 0 400.525 3.757 50 0 HHAARM Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000012852307 569010519 /nfs/dbraw/zinc/01/05/19/569010519.db2.gz KTZVWTWXYMWNMB-UHFFFAOYSA-N -1 0 400.481 3.568 50 0 HHAARM O=C([O-])c1sccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012916252 569022586 /nfs/dbraw/zinc/02/25/86/569022586.db2.gz BMHCVQFBCBWEES-AWEZNQCLSA-N -1 0 411.551 3.906 50 0 HHAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000015953903 569024594 /nfs/dbraw/zinc/02/45/94/569024594.db2.gz OBMAGMUWXPNRSR-HZPDHXFCSA-N -1 0 417.502 3.889 50 0 HHAARM CCCn1c(=O)cc([O-])nc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000012947676 569029298 /nfs/dbraw/zinc/02/92/98/569029298.db2.gz PCPMHVGMGGGCOR-UHFFFAOYSA-N -1 0 423.494 3.586 50 0 HHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000035397383 569034898 /nfs/dbraw/zinc/03/48/98/569034898.db2.gz JXALKFSWUQREBU-UHFFFAOYSA-N -1 0 405.520 3.824 50 0 HHAARM CC(C)CN(CC(C)C)c1ncc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000035397510 569034959 /nfs/dbraw/zinc/03/49/59/569034959.db2.gz IYECFNUATCLHLH-UHFFFAOYSA-N -1 0 405.520 3.699 50 0 HHAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006316920 569040305 /nfs/dbraw/zinc/04/03/05/569040305.db2.gz AVYBQPZRDGSDGN-UHFFFAOYSA-N -1 0 407.488 3.525 50 0 HHAARM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000229689258 569040622 /nfs/dbraw/zinc/04/06/22/569040622.db2.gz JWKPIEFNBMOAQI-IERDGZPVSA-N -1 0 408.454 3.669 50 0 HHAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000035618529 569046434 /nfs/dbraw/zinc/04/64/34/569046434.db2.gz MLQBKKDOVITPQI-YADHBBJMSA-N -1 0 417.417 3.994 50 0 HHAARM CCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000001786867 569053016 /nfs/dbraw/zinc/05/30/16/569053016.db2.gz YPCLQPUKIYRCJB-UHFFFAOYSA-N -1 0 413.503 3.601 50 0 HHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239235889 569054082 /nfs/dbraw/zinc/05/40/82/569054082.db2.gz WXURSZVIEHWLFE-HZSPNIEDSA-N -1 0 418.559 3.994 50 0 HHAARM O=C(NC(=C([O-])c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000026771193 569056545 /nfs/dbraw/zinc/05/65/45/569056545.db2.gz UQRLIBWHJJEPNA-NRFANRHFSA-N -1 0 413.882 3.753 50 0 HHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000006471706 569058036 /nfs/dbraw/zinc/05/80/36/569058036.db2.gz FRWAEQOFUJQQRH-UHFFFAOYSA-N -1 0 408.838 3.803 50 0 HHAARM CC1(C)c2sc(=O)[nH]c2S[C@@H](C(=O)[O-])[C@@H]1C(=O)c1ccc2c(c1)CCCC2 ZINC000006550525 569064968 /nfs/dbraw/zinc/06/49/68/569064968.db2.gz UCXBMFCDQGUMNO-DZGCQCFKSA-N -1 0 403.525 3.651 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccc(C)cc3)c(C(=O)[O-])c2)C1 ZINC000064588696 569068902 /nfs/dbraw/zinc/06/89/02/569068902.db2.gz VOCTVGSZLAMABF-KRWDZBQOSA-N -1 0 410.470 3.725 50 0 HHAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1NC(=O)c1ccccc1 ZINC000064590051 569069109 /nfs/dbraw/zinc/06/91/09/569069109.db2.gz PXKQPWJYPQQARN-UHFFFAOYSA-N -1 0 401.466 3.964 50 0 HHAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690160 569070666 /nfs/dbraw/zinc/07/06/66/569070666.db2.gz KALRWPZHUQLMMW-QWQRMKEZSA-N -1 0 400.548 3.820 50 0 HHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064798145 569096629 /nfs/dbraw/zinc/09/66/29/569096629.db2.gz WRMWZIGEJAJRRV-HNNXBMFYSA-N -1 0 413.476 3.753 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)C1 ZINC000064820285 569102590 /nfs/dbraw/zinc/10/25/90/569102590.db2.gz WZTSSDLUNUEYDH-SFHVURJKSA-N -1 0 410.470 3.725 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C)c2)C1 ZINC000064820511 569102654 /nfs/dbraw/zinc/10/26/54/569102654.db2.gz NYDRJGQOCOWIRY-SFHVURJKSA-N -1 0 410.470 3.725 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820585 569102656 /nfs/dbraw/zinc/10/26/56/569102656.db2.gz RHOCACIYFVVFCN-UHFFFAOYSA-N -1 0 412.515 3.728 50 0 HHAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920575 569121164 /nfs/dbraw/zinc/12/11/64/569121164.db2.gz OAWIGVSDZFAZHI-UHFFFAOYSA-N -1 0 419.484 3.638 50 0 HHAARM CSCC[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000036359156 569150554 /nfs/dbraw/zinc/15/05/54/569150554.db2.gz RKWMNKXXJVYMAI-IBGZPJMESA-N -1 0 412.511 3.543 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc1 ZINC000065009015 569153314 /nfs/dbraw/zinc/15/33/14/569153314.db2.gz WOTBDFPQARGHHX-UHFFFAOYSA-N -1 0 419.528 3.743 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021324 569154424 /nfs/dbraw/zinc/15/44/24/569154424.db2.gz HHPWDZMQVDJMDH-UHFFFAOYSA-N -1 0 414.527 3.920 50 0 HHAARM CC(=O)Nc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@H](C)CC4)cc1 ZINC000065150493 569184860 /nfs/dbraw/zinc/18/48/60/569184860.db2.gz GFVSDTRKCMAMBJ-SNVBAGLBSA-N -1 0 411.483 3.631 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935217 569186059 /nfs/dbraw/zinc/18/60/59/569186059.db2.gz MOVUOXFQSPBHDZ-HNNXBMFYSA-N -1 0 414.527 3.964 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c(C)c1 ZINC000065250003 569206051 /nfs/dbraw/zinc/20/60/51/569206051.db2.gz FHRUGKVAWYXGAW-UHFFFAOYSA-N -1 0 408.845 3.942 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000007381522 569235860 /nfs/dbraw/zinc/23/58/60/569235860.db2.gz AYFSCCSABIMGIS-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c1 ZINC000170615615 569247310 /nfs/dbraw/zinc/24/73/10/569247310.db2.gz INQUCXVNZJQNED-HXUWFJFHSA-N -1 0 414.433 3.776 50 0 HHAARM CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000007551113 569249105 /nfs/dbraw/zinc/24/91/05/569249105.db2.gz MHCLVSGNKVIYHQ-MRXNPFEDSA-N -1 0 415.273 3.762 50 0 HHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1)NCc1cccs1 ZINC000013850389 569258168 /nfs/dbraw/zinc/25/81/68/569258168.db2.gz JCYJRVOJMLMQAU-UHFFFAOYSA-N -1 0 422.478 3.686 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017082921 569273183 /nfs/dbraw/zinc/27/31/83/569273183.db2.gz RTOIUWWMFAMKHX-JKSUJKDBSA-N -1 0 404.532 3.897 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017082919 569273256 /nfs/dbraw/zinc/27/32/56/569273256.db2.gz RTOIUWWMFAMKHX-HOTGVXAUSA-N -1 0 404.532 3.897 50 0 HHAARM O=C(NCc1ccccn1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000001114027 569277341 /nfs/dbraw/zinc/27/73/41/569277341.db2.gz VTMMCFJKPFDVQT-UHFFFAOYSA-N -1 0 408.527 3.577 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002103413 569281627 /nfs/dbraw/zinc/28/16/27/569281627.db2.gz DJTNPIMWQHAAEA-AGKSTNPPSA-N -1 0 417.502 3.827 50 0 biogenic HHAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000017721958 569359910 /nfs/dbraw/zinc/35/99/10/569359910.db2.gz LDWDOJGBHKYYTR-UHFFFAOYSA-N -1 0 401.465 3.589 50 0 HHAARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccnc2ccccc21 ZINC000253399237 569365460 /nfs/dbraw/zinc/36/54/60/569365460.db2.gz CRVXAJCGIKXFKH-HNNXBMFYSA-N -1 0 415.401 3.999 50 0 biogenic HHAARM COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc2c1OCO2 ZINC000253401385 569365669 /nfs/dbraw/zinc/36/56/69/569365669.db2.gz FOUYCNXTGPANDW-INIZCTEOSA-N -1 0 418.401 3.802 50 0 biogenic HHAARM Cn1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cn1 ZINC000253410089 569366570 /nfs/dbraw/zinc/36/65/70/569366570.db2.gz MVLZRHJIQUMZRO-AWEZNQCLSA-N -1 0 422.824 3.994 50 0 biogenic HHAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000079045916 569425143 /nfs/dbraw/zinc/42/51/43/569425143.db2.gz KHYDEYBQEAEKFK-AWEZNQCLSA-N -1 0 422.460 3.865 50 0 HHAARM COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000000722404 571041357 /nfs/dbraw/zinc/04/13/57/571041357.db2.gz TZOKKEUOLVUPAR-LBPRGKRZSA-N -1 0 416.499 3.937 50 0 HHAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(CC)ccc3OC)cc2CCC1=O ZINC000008840603 571123586 /nfs/dbraw/zinc/12/35/86/571123586.db2.gz VIQPMUCDZMNUOZ-UHFFFAOYSA-N -1 0 402.516 3.748 50 0 HHAARM O=C(Nc1nnc(C2CC2)s1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040145335 571195613 /nfs/dbraw/zinc/19/56/13/571195613.db2.gz IEWFFNBLEWYEHJ-UHFFFAOYSA-N -1 0 406.514 3.530 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC000009002304 571209778 /nfs/dbraw/zinc/20/97/78/571209778.db2.gz WCUPITVBMKKJTN-UHFFFAOYSA-N -1 0 419.480 3.665 50 0 HHAARM COc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1 ZINC000009009396 571210129 /nfs/dbraw/zinc/21/01/29/571210129.db2.gz DUWQJOMYCNAUMN-CYBMUJFWSA-N -1 0 401.426 3.986 50 0 HHAARM O=c1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)[n-]c2ccsc21 ZINC000009010903 571210690 /nfs/dbraw/zinc/21/06/90/571210690.db2.gz XWFYESCSQVSEST-UHFFFAOYSA-N -1 0 422.491 3.628 50 0 HHAARM Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000009111636 571223254 /nfs/dbraw/zinc/22/32/54/571223254.db2.gz XKZAGDFZPGQDNX-DEDYPNTBSA-N -1 0 401.422 3.577 50 0 HHAARM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000069452407 571228302 /nfs/dbraw/zinc/22/83/02/571228302.db2.gz WFXLBPBZRYEAEM-UHFFFAOYSA-N -1 0 403.369 3.652 50 0 HHAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2OCC(C)(C)C1=O ZINC000009167432 571233249 /nfs/dbraw/zinc/23/32/49/571233249.db2.gz BQSZCHNXTGTKPX-UHFFFAOYSA-N -1 0 424.469 3.927 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)nc(C)n1 ZINC000009352277 571250592 /nfs/dbraw/zinc/25/05/92/571250592.db2.gz UZHLBLHTMQWBBT-UHFFFAOYSA-N -1 0 424.526 3.692 50 0 HHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000009378645 571253427 /nfs/dbraw/zinc/25/34/27/571253427.db2.gz VOYJJKGQXZILMR-UHFFFAOYSA-N -1 0 414.434 3.786 50 0 HHAARM O=C(COC(=O)c1ccc([O-])c(Br)c1)Nc1ccccc1C(F)(F)F ZINC000009442121 571259262 /nfs/dbraw/zinc/25/92/62/571259262.db2.gz HBQZXEGYORUFPA-UHFFFAOYSA-N -1 0 418.165 3.969 50 0 HHAARM CCCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccccc3nc21 ZINC000009452243 571259957 /nfs/dbraw/zinc/25/99/57/571259957.db2.gz SMDPFUNVTUFUFA-UHFFFAOYSA-N -1 0 423.498 3.754 50 0 HHAARM O=c1nc(CSc2nnnn2C2CC2)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000009606439 571273275 /nfs/dbraw/zinc/27/32/75/571273275.db2.gz UZFLKASKXOBGAA-UHFFFAOYSA-N -1 0 416.919 3.919 50 0 HHAARM Cc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c(C)c1 ZINC000009828720 571286965 /nfs/dbraw/zinc/28/69/65/571286965.db2.gz QHTKCANHCBULAG-UHFFFAOYSA-N -1 0 401.513 3.742 50 0 HHAARM Nc1cc(=O)[nH]c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000009835201 571287706 /nfs/dbraw/zinc/28/77/06/571287706.db2.gz BGKLLJUCBUSRJB-INIZCTEOSA-N -1 0 420.416 3.843 50 0 HHAARM O=c1cc(CSc2ncccn2)nc2[n-]c(SCc3ccccc3Cl)nn21 ZINC000009936014 571290934 /nfs/dbraw/zinc/29/09/34/571290934.db2.gz VSONTVCCUGNMEB-UHFFFAOYSA-N -1 0 416.919 3.858 50 0 HHAARM COCCCn1c(=O)c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[n-]c1=S ZINC000010323535 571300292 /nfs/dbraw/zinc/30/02/92/571300292.db2.gz GYFJDQPTKIANOI-UHFFFAOYSA-N -1 0 405.426 3.626 50 0 HHAARM CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737560 960464573 /nfs/dbraw/zinc/46/45/73/960464573.db2.gz YOAMVHBNCKAYMT-LIRRHRJNSA-N -1 0 409.438 3.597 50 0 HHAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(N)=O)c1=O ZINC000005735015 960773120 /nfs/dbraw/zinc/77/31/20/960773120.db2.gz HJPPNQKSJQGDNW-UHFFFAOYSA-N -1 0 407.470 3.639 50 0 HHAARM COc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Cl)c1OC ZINC000096792821 969052016 /nfs/dbraw/zinc/05/20/16/969052016.db2.gz OMUNUGHDAYQAQI-GHXNOFRVSA-N -1 0 412.829 3.710 50 0 HHAARM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000104861578 969208401 /nfs/dbraw/zinc/20/84/01/969208401.db2.gz YOISMVGLTRFDRZ-UITAMQMPSA-N -1 0 416.318 3.888 50 0 HHAARM Cc1ccc(N2CCN(c3ccc(NC(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-])cc3)CC2)cc1 ZINC000000627091 132229156 /nfs/dbraw/zinc/22/91/56/132229156.db2.gz VICYZKBRPPBXCB-GOTSBHOMSA-N -1 0 419.525 3.927 50 0 HHAARM Cc1ccc(N2CCN(c3ccc(NC(=O)[C@H]4CC=CC[C@H]4C(=O)[O-])cc3)CC2)cc1 ZINC000000627088 132229222 /nfs/dbraw/zinc/22/92/22/132229222.db2.gz VICYZKBRPPBXCB-XZOQPEGZSA-N -1 0 419.525 3.927 50 0 HHAARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000001219138 132242958 /nfs/dbraw/zinc/24/29/58/132242958.db2.gz XTLZYUWOMOXLTI-WQLSENKSSA-N -1 0 416.817 3.873 50 0 HHAARM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000032971153 518409105 /nfs/dbraw/zinc/40/91/05/518409105.db2.gz ISJLMRXDZACTTR-CQSZACIVSA-N -1 0 416.499 3.625 50 0 HHAARM C[C@](CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000032771978 525138355 /nfs/dbraw/zinc/13/83/55/525138355.db2.gz IWIQUYCJTOZTEV-OAQYLSRUSA-N -1 0 400.862 3.838 50 0 HHAARM Cc1cc(NC(=O)CSc2nnc(-c3cc(Cl)sc3Cl)c(=O)[n-]2)no1 ZINC000032778462 525159048 /nfs/dbraw/zinc/15/90/48/525159048.db2.gz VMQVKBSFSYVKJQ-UHFFFAOYSA-N -1 0 418.287 3.640 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000017090764 526318070 /nfs/dbraw/zinc/31/80/70/526318070.db2.gz SAGPQNGYCCGCHP-CABCVRRESA-N -1 0 416.543 3.859 50 0 HHAARM O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000040267626 527037928 /nfs/dbraw/zinc/03/79/28/527037928.db2.gz HHZQABCGNKLLEA-FQEVSTJZSA-N -1 0 411.387 3.636 50 0 HHAARM Cn1cnc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1Cl ZINC000032932356 527488481 /nfs/dbraw/zinc/48/84/81/527488481.db2.gz FDOFEKXYWWOIEN-UHFFFAOYSA-N -1 0 405.842 3.557 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000627389 557023450 /nfs/dbraw/zinc/02/34/50/557023450.db2.gz NWIWDICBYPXQKP-ZIAGYGMSSA-N -1 0 400.381 3.823 50 0 HHAARM COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(C)o2)cc1OC ZINC000000667383 557046489 /nfs/dbraw/zinc/04/64/89/557046489.db2.gz GLNLFXURHGUFJD-GOSISDBHSA-N -1 0 409.438 3.698 50 0 biogenic HHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000001067551 557166950 /nfs/dbraw/zinc/16/69/50/557166950.db2.gz FDENFTJGUDMNDY-UHFFFAOYSA-N -1 0 417.268 3.717 50 0 HHAARM Cc1c(Cl)cccc1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000001093000 557177542 /nfs/dbraw/zinc/17/75/42/557177542.db2.gz ZXNDZIZKOAOCOW-UHFFFAOYSA-N -1 0 401.875 3.631 50 0 HHAARM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)cc1 ZINC000001196852 557237958 /nfs/dbraw/zinc/23/79/58/557237958.db2.gz LWVNGZVIUIURMB-UHFFFAOYSA-N -1 0 414.414 3.577 50 0 HHAARM COc1c([N-]S(=O)(=O)c2ccc(F)cc2)cc(C)cc1-n1nc2ccccc2n1 ZINC000001425422 557261457 /nfs/dbraw/zinc/26/14/57/557261457.db2.gz YXGHWUZPZJYFHJ-UHFFFAOYSA-N -1 0 412.446 3.677 50 0 HHAARM COc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000002369300 557341272 /nfs/dbraw/zinc/34/12/72/557341272.db2.gz FKVQDIJZPHXJOR-UHFFFAOYSA-N -1 0 420.421 3.663 50 0 HHAARM CCOC(=O)COc1cc2ccc(C)nc2c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002569542 557357146 /nfs/dbraw/zinc/35/71/46/557357146.db2.gz KCASTCXJTDRDFT-UHFFFAOYSA-N -1 0 414.483 3.594 50 0 in-vitro HHAARM Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002830468 557397775 /nfs/dbraw/zinc/39/77/75/557397775.db2.gz OMOCXVYIFPLUGK-GQEMFKIVSA-N -1 0 414.889 3.645 50 0 HHAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000002843700 557402002 /nfs/dbraw/zinc/40/20/02/557402002.db2.gz HEFROEQKLMKHHP-UHFFFAOYSA-N -1 0 404.271 3.898 50 0 HHAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763604 557461184 /nfs/dbraw/zinc/46/11/84/557461184.db2.gz GHFMCTVBIFJJQQ-QGZVFWFLSA-N -1 0 420.513 3.713 50 0 HHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764992 557461732 /nfs/dbraw/zinc/46/17/32/557461732.db2.gz UVKQDDNBCNCSOG-KRWDZBQOSA-N -1 0 420.513 3.713 50 0 HHAARM CCCOc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765240 557461919 /nfs/dbraw/zinc/46/19/19/557461919.db2.gz MNCKXPIUPTZXCK-INIZCTEOSA-N -1 0 406.486 3.843 50 0 HHAARM O=C(CCc1nnc(-c2ccc(C(F)(F)F)cc2)[n-]c1=O)NCc1ccc(F)cc1 ZINC000034768147 557463047 /nfs/dbraw/zinc/46/30/47/557463047.db2.gz XXRNKOHMEJADHM-UHFFFAOYSA-N -1 0 420.366 3.651 50 0 HHAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 ZINC000004334866 557543287 /nfs/dbraw/zinc/54/32/87/557543287.db2.gz ODINIPCSCKLFTJ-UHFFFAOYSA-N -1 0 405.197 3.921 50 0 HHAARM COc1ccc(CCN2C(=O)CC[C@@H](C(=O)[O-])[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000004759732 557595424 /nfs/dbraw/zinc/59/54/24/557595424.db2.gz UCMMELSTVMGLSK-DYESRHJHSA-N -1 0 417.889 3.964 50 0 HHAARM CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCC(=O)[O-] ZINC000005022176 557626753 /nfs/dbraw/zinc/62/67/53/557626753.db2.gz LDLQIFUXWLDWCN-UHFFFAOYSA-N -1 0 400.431 3.540 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)cc1 ZINC000006139269 557690053 /nfs/dbraw/zinc/69/00/53/557690053.db2.gz KMSZYEIYKNNJDM-UHFFFAOYSA-N -1 0 415.902 3.774 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002765921 557759976 /nfs/dbraw/zinc/75/99/76/557759976.db2.gz RJTBEHDMKQEGKJ-LEWJYISDSA-N -1 0 401.466 3.823 50 0 HHAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccccc2Cl)c1 ZINC000002805015 557763822 /nfs/dbraw/zinc/76/38/22/557763822.db2.gz JWFXNWHSCOBECR-UHFFFAOYSA-N -1 0 415.853 3.594 50 0 HHAARM CCCC[C@@H](CC)CNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002975298 557776820 /nfs/dbraw/zinc/77/68/20/557776820.db2.gz FFBYRCNHWHMOTI-CYBMUJFWSA-N -1 0 405.520 3.510 50 0 HHAARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008448198 557790537 /nfs/dbraw/zinc/79/05/37/557790537.db2.gz LETMSSKQFGRAKI-INSWNQOLSA-N -1 0 423.468 3.575 50 0 HHAARM COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000010013424 557854403 /nfs/dbraw/zinc/85/44/03/557854403.db2.gz UPKYSRTXGNMKOU-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 biogenic HHAARM Cc1cccc(-n2c3nc(-c4ccccc4F)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000020605723 558387699 /nfs/dbraw/zinc/38/76/99/558387699.db2.gz TYMUDACDDWBBBC-UHFFFAOYSA-N -1 0 407.426 3.882 50 0 HHAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(F)cc13)[n-]n(-c1ccccc1)c2=O ZINC000012410047 558400499 /nfs/dbraw/zinc/40/04/99/558400499.db2.gz QJDOHJAQWDKNPA-UHFFFAOYSA-N -1 0 402.429 3.652 50 0 HHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1OC ZINC000012412050 558401030 /nfs/dbraw/zinc/40/10/30/558401030.db2.gz XTULTIMLNQDAOX-OAHLLOKOSA-N -1 0 422.275 3.802 50 0 HHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000020733485 558407262 /nfs/dbraw/zinc/40/72/62/558407262.db2.gz CIFIJDFAOPFPGU-IBGZPJMESA-N -1 0 423.469 3.785 50 0 HHAARM Cc1c2c(cc(=O)n1C1Cc3ccccc3C1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000021345229 558436910 /nfs/dbraw/zinc/43/69/10/558436910.db2.gz NUMRIMPJZQGNSQ-UHFFFAOYSA-N -1 0 414.490 3.739 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000012648363 558443344 /nfs/dbraw/zinc/44/33/44/558443344.db2.gz KIHDUTMNOVGCPQ-IRXDYDNUSA-N -1 0 406.479 3.546 50 0 HHAARM CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000022077373 558462828 /nfs/dbraw/zinc/46/28/28/558462828.db2.gz FFNITSMONAOWEH-CMDGGOBGSA-N -1 0 420.259 3.963 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000012797409 558469843 /nfs/dbraw/zinc/46/98/43/558469843.db2.gz RGBVXANVRXYZMK-UHFFFAOYSA-N -1 0 408.526 3.552 50 0 HHAARM COc1ccc(-c2csc(SCC(=O)NCc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000004393918 558486244 /nfs/dbraw/zinc/48/62/44/558486244.db2.gz YYPIOHAABXHQFX-UHFFFAOYSA-N -1 0 414.508 3.925 50 0 HHAARM CC(C)Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccco1 ZINC000013353193 558530255 /nfs/dbraw/zinc/53/02/55/558530255.db2.gz LNCODEPFJUGOKZ-UHFFFAOYSA-N -1 0 400.460 3.623 50 0 HHAARM COc1ccc(-n2c(COc3cccc4cccnc43)nnc2SCC(=O)[O-])cc1 ZINC000013545152 558537856 /nfs/dbraw/zinc/53/78/56/558537856.db2.gz DJKQHBYJURERLT-UHFFFAOYSA-N -1 0 422.466 3.580 50 0 HHAARM O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000013638190 558555075 /nfs/dbraw/zinc/55/50/75/558555075.db2.gz XXWIBQHEXYZHAP-ZDUSSCGKSA-N -1 0 422.388 3.774 50 0 HHAARM CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000072191570 558563252 /nfs/dbraw/zinc/56/32/52/558563252.db2.gz MWQGLISFMNYRIV-UHFFFAOYSA-N -1 0 424.526 3.954 50 0 HHAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000013899603 558601181 /nfs/dbraw/zinc/60/11/81/558601181.db2.gz DJNSYEADGBFNBP-ODLFYWEKSA-N -1 0 402.431 3.724 50 0 HHAARM COc1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013955230 558607487 /nfs/dbraw/zinc/60/74/87/558607487.db2.gz MHGKHBFRQUETPD-UHFFFAOYSA-N -1 0 420.421 3.663 50 0 HHAARM Cc1ccccc1OCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000025067454 558630402 /nfs/dbraw/zinc/63/04/02/558630402.db2.gz LYVXZTVWCPATKQ-UHFFFAOYSA-N -1 0 417.512 3.660 50 0 HHAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4CCCC[C@@H]43)C2=O)cc1 ZINC000025185110 558634214 /nfs/dbraw/zinc/63/42/14/558634214.db2.gz JYLLIHUHWDLDPD-WZONZLPQSA-N -1 0 423.444 3.859 50 0 HHAARM COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004549990 558673845 /nfs/dbraw/zinc/67/38/45/558673845.db2.gz YLZTWNDSCCJXGQ-XUJVJEKNSA-N -1 0 402.274 3.605 50 0 HHAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OCCNC(=O)OC(C)(C)C)c2)c1 ZINC000072271985 558677136 /nfs/dbraw/zinc/67/71/36/558677136.db2.gz YXZAUEXZFSLMJE-UHFFFAOYSA-N -1 0 424.494 3.838 50 0 HHAARM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3OC(F)(F)F)cc2C[C@H]1C ZINC000028680836 558703443 /nfs/dbraw/zinc/70/34/43/558703443.db2.gz CLFJTCFMRNZUFE-LLVKDONJSA-N -1 0 414.405 3.684 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 ZINC000072292868 558735872 /nfs/dbraw/zinc/73/58/72/558735872.db2.gz VEVZTRBSPMGZDO-UHFFFAOYSA-N -1 0 407.879 3.734 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004820971 558781041 /nfs/dbraw/zinc/78/10/41/558781041.db2.gz AWOAFAXLVFCJHV-WOJBJXKFSA-N -1 0 404.466 3.885 50 0 HHAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017081941 558813930 /nfs/dbraw/zinc/81/39/30/558813930.db2.gz RVILCFUXZKBGNF-CYBMUJFWSA-N -1 0 400.500 3.606 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)[C@@H](C(=O)[O-])C1 ZINC000017082397 558814472 /nfs/dbraw/zinc/81/44/72/558814472.db2.gz JUZAYHZVIIUIAT-HOTGVXAUSA-N -1 0 402.472 3.657 50 0 HHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017090652 558819319 /nfs/dbraw/zinc/81/93/19/558819319.db2.gz GTUFFAQCMFLGQJ-UONOGXRCSA-N -1 0 416.499 3.589 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)N[C@@H](C)c3ccccc3)cc2)no1 ZINC000017090722 558819453 /nfs/dbraw/zinc/81/94/53/558819453.db2.gz UFWVGZDJYRXDRX-AWEZNQCLSA-N -1 0 416.528 3.831 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007380 558828108 /nfs/dbraw/zinc/82/81/08/558828108.db2.gz OBXGYXWIDPTUKT-UHFFFAOYSA-N -1 0 418.515 3.965 50 0 HHAARM COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(OC3CCCC3)cc2)cc1 ZINC000004650999 558869313 /nfs/dbraw/zinc/86/93/13/558869313.db2.gz KCMQZLIVXHMEQT-FQEVSTJZSA-N -1 0 419.499 3.511 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004661635 558874640 /nfs/dbraw/zinc/87/46/40/558874640.db2.gz DOMDEUHFZBMUKY-VXKWHMMOSA-N -1 0 423.488 3.758 50 0 HHAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1)OCCCO2 ZINC000010657364 558900818 /nfs/dbraw/zinc/90/08/18/558900818.db2.gz UDHJSSKVUBZJHC-UHFFFAOYSA-N -1 0 418.254 3.654 50 0 HHAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2c(Cl)nc3sccn32)n1 ZINC000058310411 558918913 /nfs/dbraw/zinc/91/89/13/558918913.db2.gz ZDDSEXFPZXAJSM-UHFFFAOYSA-N -1 0 407.908 3.653 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3cccs3)cc2)c1C ZINC000033294959 559047378 /nfs/dbraw/zinc/04/73/78/559047378.db2.gz NIPNNQPEQBIOHO-YFHOEESVSA-N -1 0 403.485 3.806 50 0 HHAARM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc(N2CCCC2)n1 ZINC000033326856 559059480 /nfs/dbraw/zinc/05/94/80/559059480.db2.gz YKFYSAWPTHWTPS-UHFFFAOYSA-N -1 0 415.544 3.991 50 0 HHAARM C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)C(=O)[O-] ZINC000004811787 559069322 /nfs/dbraw/zinc/06/93/22/559069322.db2.gz XIBPAALIVVVJHR-LLVKDONJSA-N -1 0 416.524 3.864 50 0 HHAARM O=C([O-])c1ccc(NC(=O)c2nnsc2NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016949012 559087166 /nfs/dbraw/zinc/08/71/66/559087166.db2.gz SMCWVISIUVAKOY-UHFFFAOYSA-N -1 0 417.834 3.786 50 0 HHAARM COc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Cl)c1OC ZINC000014094003 559150621 /nfs/dbraw/zinc/15/06/21/559150621.db2.gz OMUNUGHDAYQAQI-KPKJPENVSA-N -1 0 412.829 3.710 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 ZINC000023748570 559180774 /nfs/dbraw/zinc/18/07/74/559180774.db2.gz ZJDUNBUGIGVUSG-UHFFFAOYSA-N -1 0 417.405 3.517 50 0 HHAARM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000017289206 560706035 /nfs/dbraw/zinc/70/60/35/560706035.db2.gz QVOCHLZKWVOPPE-UHFFFAOYSA-N -1 0 409.305 3.549 50 0 HHAARM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]S(C)(=O)=O)nn32)cc1 ZINC000100865751 560760984 /nfs/dbraw/zinc/76/09/84/560760984.db2.gz FMOKTWFFFMQLNQ-KRWDZBQOSA-N -1 0 415.906 3.667 50 0 HHAARM CN1c2ccsc2C([O-])=C(C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O ZINC000100911015 560762451 /nfs/dbraw/zinc/76/24/51/560762451.db2.gz XSLYZNNPNYMZND-UHFFFAOYSA-N -1 0 404.897 3.986 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@@H](/C=C/c2ccccc2)C1 ZINC000101298776 560791173 /nfs/dbraw/zinc/79/11/73/560791173.db2.gz MIRLINCRFDURKD-CEUCYRDJSA-N -1 0 404.401 3.923 50 0 HHAARM COc1ccccc1Cn1c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1C ZINC000101375600 560793666 /nfs/dbraw/zinc/79/36/66/560793666.db2.gz HUGBHTMVRZODIZ-UHFFFAOYSA-N -1 0 418.478 3.819 50 0 HHAARM O=C(Nc1ccc(F)cc1F)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722834 560799005 /nfs/dbraw/zinc/79/90/05/560799005.db2.gz DIBQYAYTXJQREF-UHFFFAOYSA-N -1 0 407.376 3.681 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(C)cc3C)c([O-])c3cccnc32)cc1 ZINC000101723432 560799226 /nfs/dbraw/zinc/79/92/26/560799226.db2.gz RXFRNSOWWZMZDS-UHFFFAOYSA-N -1 0 415.449 3.969 50 0 HHAARM O=c1cc(CNc2ccc(Br)cc2)nc2[n-]c(-c3cccs3)nn21 ZINC000101842079 560801262 /nfs/dbraw/zinc/80/12/62/560801262.db2.gz AULRVSQZRHOXTG-UHFFFAOYSA-N -1 0 402.277 3.521 50 0 HHAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2F)c1 ZINC000101835640 560803327 /nfs/dbraw/zinc/80/33/27/560803327.db2.gz DLCYWTQDJUEKOF-SFHVURJKSA-N -1 0 410.380 3.705 50 0 HHAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 ZINC000101835799 560803460 /nfs/dbraw/zinc/80/34/60/560803460.db2.gz XJRREZXORDTAEU-QGZVFWFLSA-N -1 0 424.844 3.781 50 0 HHAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)c1 ZINC000101836311 560803528 /nfs/dbraw/zinc/80/35/28/560803528.db2.gz LZNLVBKPQZAKPX-SFHVURJKSA-N -1 0 424.844 3.781 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3F)cnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000101836255 560803555 /nfs/dbraw/zinc/80/35/55/560803555.db2.gz MZMWXZSRFHPJJR-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)Cc3cccc(Cl)c3)cc2[n-]c1=S ZINC000102792110 560827700 /nfs/dbraw/zinc/82/77/00/560827700.db2.gz CNWCJHXCJADXPQ-LBPRGKRZSA-N -1 0 401.919 3.720 50 0 HHAARM O=C(NCc1ccco1)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282153 560851696 /nfs/dbraw/zinc/85/16/96/560851696.db2.gz MZTCIFHXRQTZJL-UHFFFAOYSA-N -1 0 418.840 3.995 50 0 HHAARM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2OC)n1 ZINC000046020183 568423839 /nfs/dbraw/zinc/42/38/39/568423839.db2.gz OLVLABMTNZTMGW-UHFFFAOYSA-N -1 0 403.460 3.507 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3C)cc2C(=O)[O-])C1 ZINC000046053328 568425373 /nfs/dbraw/zinc/42/53/73/568425373.db2.gz ARXQISYFBSBLMF-MRXNPFEDSA-N -1 0 410.470 3.725 50 0 HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)c(OC)c2)CC(=O)N3)c1 ZINC000049543237 568451089 /nfs/dbraw/zinc/45/10/89/568451089.db2.gz VQEQIPDTOOTNLG-INIZCTEOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccccc2OC)CC(=O)N3)c(OC)c1 ZINC000049543195 568451136 /nfs/dbraw/zinc/45/11/36/568451136.db2.gz LVJJAAHJGCZIIJ-OAHLLOKOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM Cc1cccc(C[C@H](CC(=O)Nc2ccc(I)cc2)C(=O)[O-])c1 ZINC000000783553 568475800 /nfs/dbraw/zinc/47/58/00/568475800.db2.gz VWVVBGAYYSEVCE-CQSZACIVSA-N -1 0 423.250 3.872 50 0 HHAARM O=C([O-])CC1(CNC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)CCCCC1 ZINC000218250574 568476860 /nfs/dbraw/zinc/47/68/60/568476860.db2.gz UKVKFOWZAVWLEV-UHFFFAOYSA-N -1 0 410.474 3.692 50 0 HHAARM CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000790696 568478942 /nfs/dbraw/zinc/47/89/42/568478942.db2.gz XOYKEHLQLCRMHF-UHFFFAOYSA-N -1 0 417.512 3.524 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c(Br)c1 ZINC000028240383 568615156 /nfs/dbraw/zinc/61/51/56/568615156.db2.gz JTUYXGGBIOMDCJ-UHFFFAOYSA-N -1 0 409.305 3.685 50 0 HHAARM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(OCC(=O)[O-])c(C)cc1Cl ZINC000095463973 568622273 /nfs/dbraw/zinc/62/22/73/568622273.db2.gz PFQUYIQKWCIIGO-UHFFFAOYSA-N -1 0 407.898 3.762 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3OCC)s2)on1 ZINC000020994855 568656518 /nfs/dbraw/zinc/65/65/18/568656518.db2.gz QREQLHSCXBYPMD-UHFFFAOYSA-N -1 0 422.484 3.779 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])cc1F ZINC000225611236 568656780 /nfs/dbraw/zinc/65/67/80/568656780.db2.gz CWDSDNDYWLGYRM-UHFFFAOYSA-N -1 0 402.241 3.704 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)n1C ZINC000021030228 568659215 /nfs/dbraw/zinc/65/92/15/568659215.db2.gz OBNSTEVBILKHFU-UHFFFAOYSA-N -1 0 417.575 3.932 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cccc(C)c2)c(C)n1C ZINC000021030541 568659316 /nfs/dbraw/zinc/65/93/16/568659316.db2.gz KVKGTFKZXZNFNM-UHFFFAOYSA-N -1 0 403.548 3.623 50 0 HHAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000095969906 568671265 /nfs/dbraw/zinc/67/12/65/568671265.db2.gz ARCYYXSJVYYCAW-NRFANRHFSA-N -1 0 419.456 3.542 50 0 HHAARM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000095970658 568671554 /nfs/dbraw/zinc/67/15/54/568671554.db2.gz NWGGZEKYZKPMRD-UONOGXRCSA-N -1 0 402.516 3.500 50 0 HHAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)c1 ZINC000225848006 568680264 /nfs/dbraw/zinc/68/02/64/568680264.db2.gz IUFTYRGGILMKRX-GOSISDBHSA-N -1 0 416.861 3.900 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1 ZINC000096323457 568731927 /nfs/dbraw/zinc/73/19/27/568731927.db2.gz FSNHDOQTGVUUIN-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)cc1F ZINC000096379494 568740906 /nfs/dbraw/zinc/74/09/06/568740906.db2.gz QXIHRNVRPIJUGK-UHFFFAOYSA-N -1 0 406.439 3.507 50 0 HHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c2)no1 ZINC000021701791 568741572 /nfs/dbraw/zinc/74/15/72/568741572.db2.gz NAPRCQPBQXXZPP-UHFFFAOYSA-N -1 0 414.306 3.978 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3noc(C)n3)cs2)cc1Cl ZINC000021701621 568741651 /nfs/dbraw/zinc/74/16/51/568741651.db2.gz JOWBHJBDVFBNEJ-UHFFFAOYSA-N -1 0 415.880 3.578 50 0 HHAARM O=C([O-])CCCn1c(/C=C\c2cc(Br)co2)nc2ccccc2c1=O ZINC000096402109 568750293 /nfs/dbraw/zinc/75/02/93/568750293.db2.gz ISAXGIMLQQAJOE-FPLPWBNLSA-N -1 0 403.232 3.787 50 0 HHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)n1 ZINC000000945099 568754560 /nfs/dbraw/zinc/75/45/60/568754560.db2.gz SFEUGHICFTYQIW-UHFFFAOYSA-N -1 0 408.892 3.553 50 0 HHAARM Cc1cc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(C)c1Cl ZINC000000956381 568757727 /nfs/dbraw/zinc/75/77/27/568757727.db2.gz UKLKRDSPHMZMAK-SFHVURJKSA-N -1 0 400.862 3.629 50 0 biogenic HHAARM Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000021883957 568758243 /nfs/dbraw/zinc/75/82/43/568758243.db2.gz PGDDPTGHHLYJMZ-UHFFFAOYSA-N -1 0 405.888 3.672 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000001144730 568773945 /nfs/dbraw/zinc/77/39/45/568773945.db2.gz PEZJFHANSDGDMJ-UHFFFAOYSA-N -1 0 416.499 3.510 50 0 HHAARM O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000225636366 568777666 /nfs/dbraw/zinc/77/76/66/568777666.db2.gz UNQWRELKJLGAPP-NRFANRHFSA-N -1 0 414.461 3.655 50 0 HHAARM CC[C@H](C)NC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000299738353 568781385 /nfs/dbraw/zinc/78/13/85/568781385.db2.gz ZHLNAIHTYNUVGC-LURJTMIESA-N -1 0 418.085 3.699 50 0 HHAARM N=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ncc(C(F)(F)F)cc1Cl ZINC000261495027 568820749 /nfs/dbraw/zinc/82/07/49/568820749.db2.gz PKIJHVFMUZVTPE-UHFFFAOYSA-N -1 0 404.222 3.773 50 0 HHAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)NCCC(C)C)cc2[n-]c1=S ZINC000003043766 568848114 /nfs/dbraw/zinc/84/81/14/568848114.db2.gz XUWCWOVPJQFZJU-UHFFFAOYSA-N -1 0 411.527 3.892 50 0 HHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000003626815 568864933 /nfs/dbraw/zinc/86/49/33/568864933.db2.gz DJWYQGXRSVXQRK-MRXNPFEDSA-N -1 0 421.877 3.685 50 0 HHAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cnccn1 ZINC000012599196 568869596 /nfs/dbraw/zinc/86/95/96/568869596.db2.gz IRZADDSVGYLGRT-UHFFFAOYSA-N -1 0 423.281 3.837 50 0 HHAARM COc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000003631853 568921354 /nfs/dbraw/zinc/92/13/54/568921354.db2.gz UUZXXGSKEBJMDD-UHFFFAOYSA-N -1 0 407.451 3.587 50 0 HHAARM Cc1cc2nc3n(c2cc1C)CCCN3C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000334162870 568921842 /nfs/dbraw/zinc/92/18/42/568921842.db2.gz FTNSLZXFYQFGIE-UHFFFAOYSA-N -1 0 418.906 3.615 50 0 HHAARM O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(Cl)cc1F ZINC000031722860 568929905 /nfs/dbraw/zinc/92/99/05/568929905.db2.gz QQZAQSDGIVKGNK-UHFFFAOYSA-N -1 0 417.911 3.996 50 0 HHAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000003991728 568931375 /nfs/dbraw/zinc/93/13/75/568931375.db2.gz IOYPEWHPDCWVOL-UHFFFAOYSA-N -1 0 421.482 3.765 50 0 HHAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ncccc1O[C@@H](C)c1ccccc1 ZINC000084008501 568932903 /nfs/dbraw/zinc/93/29/03/568932903.db2.gz BFVYZANYFFXYLW-KRWDZBQOSA-N -1 0 414.531 3.839 50 0 HHAARM CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3C(=O)[O-])nc21 ZINC000001422086 568938522 /nfs/dbraw/zinc/93/85/22/568938522.db2.gz PIBYLIOCUSEBMR-UHFFFAOYSA-N -1 0 421.482 3.989 50 0 HHAARM CC(C)OCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000008036092 568969737 /nfs/dbraw/zinc/96/97/37/568969737.db2.gz ZIUKBADQKMRPRW-UHFFFAOYSA-N -1 0 416.952 3.747 50 0 HHAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000015731512 568982096 /nfs/dbraw/zinc/98/20/96/568982096.db2.gz MOYWQCINYLXKSI-UHFFFAOYSA-N -1 0 418.421 3.632 50 0 HHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2sc(NC(C)=O)nc2c1 ZINC000015870119 569017139 /nfs/dbraw/zinc/01/71/39/569017139.db2.gz QZTPKRRZXYLGOZ-UHFFFAOYSA-N -1 0 411.892 3.718 50 0 HHAARM Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000016020873 569026063 /nfs/dbraw/zinc/02/60/63/569026063.db2.gz UWPHGGUWZISWLU-GOSISDBHSA-N -1 0 408.458 3.519 50 0 HHAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 ZINC000016043270 569028240 /nfs/dbraw/zinc/02/82/40/569028240.db2.gz QWTMAMOWTXOKBZ-KBXCAEBGSA-N -1 0 403.475 3.518 50 0 HHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000006316031 569040277 /nfs/dbraw/zinc/04/02/77/569040277.db2.gz ANFXLLBVWLHQKB-UHFFFAOYSA-N -1 0 404.669 3.690 50 0 HHAARM C[C@@H]1CCC[C@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@H]1C ZINC000006389559 569046388 /nfs/dbraw/zinc/04/63/88/569046388.db2.gz WVLBZGJIXNDCCS-OAGGEKHMSA-N -1 0 405.564 3.756 50 0 HHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239425909 569054375 /nfs/dbraw/zinc/05/43/75/569054375.db2.gz VLLUAGVDCRMXJZ-TYJVHBSKSA-N -1 0 418.559 3.828 50 0 HHAARM COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])ON(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000245328224 569055960 /nfs/dbraw/zinc/05/59/60/569055960.db2.gz UJVPADQYHUNJPW-FDFHNCONSA-N -1 0 418.449 3.896 50 0 HHAARM Cc1ccc(N=C2S[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2C)cc1C ZINC000001829431 569056283 /nfs/dbraw/zinc/05/62/83/569056283.db2.gz TXLADILENRKEAD-KRWDZBQOSA-N -1 0 411.483 3.592 50 0 HHAARM O=C([O-])C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000001897399 569057136 /nfs/dbraw/zinc/05/71/36/569057136.db2.gz HURYDRANBZDEAQ-YVUGPFRESA-N -1 0 414.461 3.790 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc(F)c3)C2)cc1OC ZINC000089459871 569060711 /nfs/dbraw/zinc/06/07/11/569060711.db2.gz OIYPMVNZOMPRQN-SFHVURJKSA-N -1 0 414.433 3.776 50 0 HHAARM CCCC(=O)Nc1ccc(N2CCN(c3ccccc3OCC)CC2)cc1C(=O)[O-] ZINC000064589361 569069007 /nfs/dbraw/zinc/06/90/07/569069007.db2.gz SKWWOOIHEBDODX-UHFFFAOYSA-N -1 0 411.502 3.849 50 0 HHAARM CCOC(=O)[C@@]([N-]c1ccc(F)cc1F)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000002050568 569072351 /nfs/dbraw/zinc/07/23/51/569072351.db2.gz GTQROIONOSVKNR-QGZVFWFLSA-N -1 0 420.309 3.768 50 0 HHAARM C[C@@H]1C[C@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000036056344 569084522 /nfs/dbraw/zinc/08/45/22/569084522.db2.gz ONVIKMVYVZZACB-OKAYXYTKSA-N -1 0 421.472 3.502 50 0 HHAARM CCOC(=O)c1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000064757623 569091099 /nfs/dbraw/zinc/09/10/99/569091099.db2.gz QEYKCFQIPRZXAO-UHFFFAOYSA-N -1 0 415.446 3.942 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)[n-]c1=O ZINC000064774701 569093418 /nfs/dbraw/zinc/09/34/18/569093418.db2.gz LKCRHEGFCVMJIE-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)C1 ZINC000064820383 569102509 /nfs/dbraw/zinc/10/25/09/569102509.db2.gz NVCFPZBEZLZUSX-INIZCTEOSA-N -1 0 414.433 3.556 50 0 HHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1 ZINC000064844647 569107862 /nfs/dbraw/zinc/10/78/62/569107862.db2.gz MXODOQJHMOYMAX-UHFFFAOYSA-N -1 0 403.485 3.987 50 0 HHAARM COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000064988091 569145669 /nfs/dbraw/zinc/14/56/69/569145669.db2.gz ITTJFPXVHACEBO-UHFFFAOYSA-N -1 0 423.450 3.919 50 0 HHAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)C1 ZINC000036364898 569152069 /nfs/dbraw/zinc/15/20/69/569152069.db2.gz SBQNDXJIJVDICN-LBPRGKRZSA-N -1 0 414.405 3.574 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc(OC)c1 ZINC000006887706 569171227 /nfs/dbraw/zinc/17/12/27/569171227.db2.gz FPHCTDZBUBJXPJ-UHFFFAOYSA-N -1 0 418.471 3.785 50 0 HHAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)o1 ZINC000065098545 569176785 /nfs/dbraw/zinc/17/67/85/569176785.db2.gz JQWZOSKYVAOJSV-UHFFFAOYSA-N -1 0 418.269 3.809 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)n1C ZINC000065194177 569192653 /nfs/dbraw/zinc/19/26/53/569192653.db2.gz QBGVRRQPMNUANJ-UHFFFAOYSA-N -1 0 404.467 3.818 50 0 HHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc2C1 ZINC000065196189 569194475 /nfs/dbraw/zinc/19/44/75/569194475.db2.gz FWBDJHZNHBVQEN-UHFFFAOYSA-N -1 0 402.900 3.636 50 0 HHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2C1 ZINC000065196179 569194492 /nfs/dbraw/zinc/19/44/92/569194492.db2.gz CHBSJWLSRSMVJD-UHFFFAOYSA-N -1 0 414.936 3.506 50 0 HHAARM O=C(Nc1ccc(F)cc1F)c1c(=O)[nH]c2c(cnn2-c2ccc(Cl)cc2)c1[O-] ZINC000065250015 569205999 /nfs/dbraw/zinc/20/59/99/569205999.db2.gz IRLFTAKFSRWBOM-UHFFFAOYSA-N -1 0 416.771 3.603 50 0 HHAARM O=C(Nc1cc(F)cc(F)c1)c1c(=O)[nH]c2c(cnn2-c2ccc(Cl)cc2)c1[O-] ZINC000065250017 569206004 /nfs/dbraw/zinc/20/60/04/569206004.db2.gz WCQBRXPHBLNECR-UHFFFAOYSA-N -1 0 416.771 3.603 50 0 HHAARM Cc1ccc(F)cc1NC(=O)c1c([O-])c2cnn(-c3ccc(Cl)cc3)c2[nH]c1=O ZINC000065250018 569206028 /nfs/dbraw/zinc/20/60/28/569206028.db2.gz VBFSOUYWZKSXKE-UHFFFAOYSA-N -1 0 412.808 3.773 50 0 HHAARM CSc1ccc(-c2noc(-c3c([O-])c4cnn(-c5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256941 569208582 /nfs/dbraw/zinc/20/85/82/569208582.db2.gz QDYPOKFTWQQTHD-UHFFFAOYSA-N -1 0 417.450 3.858 50 0 HHAARM O=C([O-])CCn1c(/C=C/c2cc(Br)cs2)nc2ccccc2c1=O ZINC000036745034 569226008 /nfs/dbraw/zinc/22/60/08/569226008.db2.gz FNXYJDQKJYIUSI-AATRIKPKSA-N -1 0 405.273 3.866 50 0 HHAARM CCOc1ccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccc(C)cc3)c2=O)cc1 ZINC000007424119 569237946 /nfs/dbraw/zinc/23/79/46/569237946.db2.gz WZINIVRHVHEPEB-UHFFFAOYSA-N -1 0 402.454 3.982 50 0 HHAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N[C@@](C)(C(=O)[O-])C(C)C ZINC000170592093 569240922 /nfs/dbraw/zinc/24/09/22/569240922.db2.gz OCMNHSDFGLDCMR-LJQANCHMSA-N -1 0 411.424 3.666 50 0 HHAARM O=C(COc1ccccc1Cl)Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000170606057 569244423 /nfs/dbraw/zinc/24/44/23/569244423.db2.gz JLCINXTVIACYSP-UHFFFAOYSA-N -1 0 408.785 3.619 50 0 HHAARM O=C([O-])c1ccn(-c2cccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)c2)n1 ZINC000089780879 569264164 /nfs/dbraw/zinc/26/41/64/569264164.db2.gz SLSDELBPAZWUDV-UHFFFAOYSA-N -1 0 407.817 3.662 50 0 HHAARM CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O ZINC000002099040 569281125 /nfs/dbraw/zinc/28/11/25/569281125.db2.gz MRLTXEYLPCUWFS-OKHBPPCESA-N -1 0 415.423 3.633 50 0 HHAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12 ZINC000002098274 569281151 /nfs/dbraw/zinc/28/11/51/569281151.db2.gz JSADJKNVSCUPDS-AWEZNQCLSA-N -1 0 419.433 3.955 50 0 biogenic HHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N3CCCC[C@H]3C(=O)[O-])c(=O)oc1c2C ZINC000002105116 569282261 /nfs/dbraw/zinc/28/22/61/569282261.db2.gz CCSSXUDVOBZNBS-SFHVURJKSA-N -1 0 411.454 3.863 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000002156177 569290410 /nfs/dbraw/zinc/29/04/10/569290410.db2.gz WWQJFHHQQHPNKG-HNNXBMFYSA-N -1 0 403.475 3.501 50 0 biogenic HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000005574947 569356879 /nfs/dbraw/zinc/35/68/79/569356879.db2.gz PBOVIXZMMDUONI-JHJVBQTASA-N -1 0 406.548 3.828 50 0 HHAARM COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000002396920 569394428 /nfs/dbraw/zinc/39/44/28/569394428.db2.gz IQCWNKSLDUSIFD-WIWNTQSISA-N -1 0 415.423 3.551 50 0 HHAARM COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)[O-])c1 ZINC000328597110 569416285 /nfs/dbraw/zinc/41/62/85/569416285.db2.gz DOBOCEIVKHABIY-SFHVURJKSA-N -1 0 416.861 3.900 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000008983149 571205212 /nfs/dbraw/zinc/20/52/12/571205212.db2.gz CFSNSGXULNVHFT-UHFFFAOYSA-N -1 0 420.487 3.785 50 0 HHAARM COc1ccc(NC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1OC ZINC000009053714 571216600 /nfs/dbraw/zinc/21/66/00/571216600.db2.gz BIKPXJOHZXEGBE-UHFFFAOYSA-N -1 0 403.818 3.659 50 0 HHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009168967 571233475 /nfs/dbraw/zinc/23/34/75/571233475.db2.gz DMLVRZQOYIQEBO-UHFFFAOYSA-N -1 0 404.488 3.552 50 0 HHAARM CCN1c2cc([N-]S(=O)(=O)c3cc(C)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009170606 571233669 /nfs/dbraw/zinc/23/36/69/571233669.db2.gz ZTCYNKALRISVCN-UHFFFAOYSA-N -1 0 418.515 3.576 50 0 HHAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009468280 571261284 /nfs/dbraw/zinc/26/12/84/571261284.db2.gz ZJIQKVNELIVFNI-UHFFFAOYSA-N -1 0 421.478 3.624 50 0 HHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)c1 ZINC000009572185 571269121 /nfs/dbraw/zinc/26/91/21/571269121.db2.gz LMJDJCXYIKLOJC-UHFFFAOYSA-N -1 0 424.482 3.523 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)n1C ZINC000009685053 571279736 /nfs/dbraw/zinc/27/97/36/571279736.db2.gz LGQGQHOCZKVJLT-UHFFFAOYSA-N -1 0 403.548 3.686 50 0 HHAARM O=C(CSC1=NC(=O)C(C/C=C/c2ccccc2)C([O-])=N1)Nc1ccccc1F ZINC000009731604 571282903 /nfs/dbraw/zinc/28/29/03/571282903.db2.gz YKEMYCDKNFFTEO-RMKNXTFCSA-N -1 0 411.458 3.601 50 0 HHAARM Nc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000009835203 571287684 /nfs/dbraw/zinc/28/76/84/571287684.db2.gz BGKLLJUCBUSRJB-MRXNPFEDSA-N -1 0 420.416 3.843 50 0 HHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1cccc(Cl)c1 ZINC000009821643 571306587 /nfs/dbraw/zinc/30/65/87/571306587.db2.gz YYDFXQHQAQIPKR-UHFFFAOYSA-N -1 0 407.904 3.779 50 0 HHAARM Cc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000033929839 571310613 /nfs/dbraw/zinc/31/06/13/571310613.db2.gz AWVVWIGVSKMSGW-FZNBYNMYSA-N -1 0 405.450 3.838 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000002850574 960475079 /nfs/dbraw/zinc/47/50/79/960475079.db2.gz ZBPQUNMVVILBPY-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(/C=C/c2ccccn2)c1 ZINC000012561044 962293972 /nfs/dbraw/zinc/29/39/72/962293972.db2.gz DLTCFGQNYSPEAJ-CMDGGOBGSA-N -1 0 400.481 3.901 50 0 HHAARM O=C([O-])Cn1ccnc1-c1cccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000098052954 969186413 /nfs/dbraw/zinc/18/64/13/969186413.db2.gz KQOIVZFCQCXRKG-FLIBITNWSA-N -1 0 417.874 3.701 50 0 HHAARM Cc1ccc(-c2nc(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1 ZINC000216641975 970080590 /nfs/dbraw/zinc/08/05/90/970080590.db2.gz VZQSYADQMAHNOB-FQEVSTJZSA-N -1 0 419.506 3.954 50 0 HHAARM CCCC=NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000254791523 970579480 /nfs/dbraw/zinc/57/94/80/970579480.db2.gz MBEPMUAXDGEJLF-UHFFFAOYSA-N -1 0 424.320 3.766 50 0 HHAARM COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)c(Cl)c(O)c1C(=O)[O-] ZINC000031158799 291251021 /nfs/dbraw/zinc/25/10/21/291251021.db2.gz MYFFDMMUGIQJQM-UHFFFAOYSA-N -1 0 417.197 3.999 50 0 biogenic,in-vitro HHAARM CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000009015633 533417692 /nfs/dbraw/zinc/41/76/92/533417692.db2.gz UFEKDRSKDJJFGC-VBKFSLOCSA-N -1 0 403.360 3.983 50 0 HHAARM Cc1cccc(N2CCN(c3ccc(NC(=O)[C@H]4CC=CC[C@H]4C(=O)[O-])cc3)CC2)c1 ZINC000000627077 132229198 /nfs/dbraw/zinc/22/91/98/132229198.db2.gz HQXNNJIISHPTSI-XZOQPEGZSA-N -1 0 419.525 3.927 50 0 HHAARM Cc1ccc2nc(N3CCN(C(=O)CCCC(=O)[O-])CC3)nc(-c3ccccc3)c2c1 ZINC000001254457 132243344 /nfs/dbraw/zinc/24/33/44/132243344.db2.gz SVVDOBNDTHUGEE-UHFFFAOYSA-N -1 0 418.497 3.509 50 0 HHAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc1 ZINC000024080181 132482773 /nfs/dbraw/zinc/48/27/73/132482773.db2.gz YIVUNRWOLFHONE-NRFANRHFSA-N -1 0 402.406 3.927 50 0 HHAARM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C)s2)c1)C(=O)C(F)(F)F ZINC000032833773 521354926 /nfs/dbraw/zinc/35/49/26/521354926.db2.gz AKKJSEKEJDHPLU-UHFFFAOYSA-N -1 0 406.451 3.768 50 0 HHAARM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(OC)cc2)c(=O)[n-]1 ZINC000032778634 524063756 /nfs/dbraw/zinc/06/37/56/524063756.db2.gz BLPHHWRKAYBEOU-UHFFFAOYSA-N -1 0 410.499 3.854 50 0 HHAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962097 525084765 /nfs/dbraw/zinc/08/47/65/525084765.db2.gz SGJVNGKPCBMBRS-UHFFFAOYSA-N -1 0 404.488 3.575 50 0 HHAARM Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032100160 525508747 /nfs/dbraw/zinc/50/87/47/525508747.db2.gz XMYKRSIYAXGCOX-INIZCTEOSA-N -1 0 408.389 3.867 50 0 HHAARM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1)n1cccn1 ZINC000032600409 526157778 /nfs/dbraw/zinc/15/77/78/526157778.db2.gz ODJKHHJEFOOKNC-CYBMUJFWSA-N -1 0 404.879 3.537 50 0 HHAARM NC(=O)c1c(SCc2ccc(Cl)c(Cl)c2)sc2c1[nH]c(=O)cc2[O-] ZINC000040288181 527019753 /nfs/dbraw/zinc/01/97/53/527019753.db2.gz NKJAHTOWXWEZPE-UHFFFAOYSA-N -1 0 401.296 3.993 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000017088459 535239195 /nfs/dbraw/zinc/23/91/95/535239195.db2.gz FNGBPKJQMVTSTN-MSOLQXFVSA-N -1 0 410.436 3.801 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(Cl)c1Cl ZINC000009254516 557044209 /nfs/dbraw/zinc/04/42/09/557044209.db2.gz WSOJPHGCQMKJES-UHFFFAOYSA-N -1 0 423.281 3.837 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000000786436 557080474 /nfs/dbraw/zinc/08/04/74/557080474.db2.gz UUOQGDMVKSQTLM-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM COc1ccc(Cc2nnc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000000789835 557081018 /nfs/dbraw/zinc/08/10/18/557081018.db2.gz ZCXXLCKCMNVKNO-UHFFFAOYSA-N -1 0 403.529 3.864 50 0 HHAARM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000804538 557085884 /nfs/dbraw/zinc/08/58/84/557085884.db2.gz FWPIMHRZDBKOHO-KRWDZBQOSA-N -1 0 417.512 3.740 50 0 HHAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)c1 ZINC000000844930 557099003 /nfs/dbraw/zinc/09/90/03/557099003.db2.gz KTGGLLIBJAEZJG-UHFFFAOYSA-N -1 0 414.414 3.577 50 0 HHAARM 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560588797 /nfs/dbraw/zinc/58/87/97/560588797.db2.gz PSZXFYKWYZMQPZ-QFIPXVFZSA-N -1 0 420.409 3.900 50 0 HHAARM CC[C@H](C)[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000005450910 560590099 /nfs/dbraw/zinc/59/00/99/560590099.db2.gz CJVYTXQTAVGNHZ-RXVVDRJESA-N -1 0 409.530 3.603 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005184615 560625226 /nfs/dbraw/zinc/62/52/26/560625226.db2.gz BTNIBCXEECXIDK-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C1 ZINC000008977155 560640479 /nfs/dbraw/zinc/64/04/79/560640479.db2.gz ITWPSWSMWQYAHQ-UHFFFAOYSA-N -1 0 418.421 3.557 50 0 HHAARM CCS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101618452 560797687 /nfs/dbraw/zinc/79/76/87/560797687.db2.gz HETSHAQFSUKNMA-KRWDZBQOSA-N -1 0 415.906 3.749 50 0 HHAARM O=C(NCc1cccc(Cl)c1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722608 560798903 /nfs/dbraw/zinc/79/89/03/560798903.db2.gz ZXJJZMZDHCKZEC-UHFFFAOYSA-N 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O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2F)ccc1Br ZINC000013265506 560804657 /nfs/dbraw/zinc/80/46/57/560804657.db2.gz JGJLQCYNSWMMBS-UHFFFAOYSA-N -1 0 408.632 3.741 50 0 HHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(C)c3)cnn21 ZINC000102810959 560829351 /nfs/dbraw/zinc/82/93/51/560829351.db2.gz NVMXWRRVOHSNBG-LJQANCHMSA-N -1 0 418.453 3.826 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000046914596 560879284 /nfs/dbraw/zinc/87/92/84/560879284.db2.gz KGYUDGGUGXGFOA-UHFFFAOYSA-N -1 0 414.418 3.680 50 0 HHAARM Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000047317885 560886329 /nfs/dbraw/zinc/88/63/29/560886329.db2.gz MHHGXGDJEJZQOW-UHFFFAOYSA-N -1 0 406.204 3.535 50 0 HHAARM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)ccc1Br ZINC000047383463 560886473 /nfs/dbraw/zinc/88/64/73/560886473.db2.gz KDBOXUGSQYTYMT-UHFFFAOYSA-N -1 0 406.204 3.535 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])C1 ZINC000046053331 568425383 /nfs/dbraw/zinc/42/53/83/568425383.db2.gz CUJOCDTWGWNOST-KRWDZBQOSA-N -1 0 410.470 3.725 50 0 HHAARM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O ZINC000048333879 568439523 /nfs/dbraw/zinc/43/95/23/568439523.db2.gz OEFHPJCBAIWILH-QMMMGPOBSA-N -1 0 420.796 3.879 50 0 HHAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4OC)c32)c1 ZINC000049543303 568451098 /nfs/dbraw/zinc/45/10/98/568451098.db2.gz SCGPSHYTVPKROO-MRXNPFEDSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM CCOC(=O)c1c(C)nc(SCC(=O)[O-])nc1-c1c(OC)ccc2ccccc21 ZINC000216719543 568466630 /nfs/dbraw/zinc/46/66/30/568466630.db2.gz OJZJSUOKLIHJTA-UHFFFAOYSA-N -1 0 412.467 3.967 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)nc(C)n1 ZINC000000790553 568478856 /nfs/dbraw/zinc/47/88/56/568478856.db2.gz MRQWHDCFPAVNDZ-UHFFFAOYSA-N -1 0 416.890 3.800 50 0 HHAARM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)s1 ZINC000095430475 568608906 /nfs/dbraw/zinc/60/89/06/568608906.db2.gz XTEBNFXUDYZXMP-UHFFFAOYSA-N -1 0 405.501 3.581 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccs3)C2)c1 ZINC000095532096 568635424 /nfs/dbraw/zinc/63/54/24/568635424.db2.gz RTUXVHXJMOABPH-KRWDZBQOSA-N -1 0 402.472 3.698 50 0 HHAARM Cc1nn(CCC(=O)[O-])c(C)c1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F ZINC000096402183 568694468 /nfs/dbraw/zinc/69/44/68/568694468.db2.gz KCVMAWCQTQDRQJ-UKTHLTGXSA-N -1 0 406.364 3.539 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000096361090 568739031 /nfs/dbraw/zinc/73/90/31/568739031.db2.gz BJIGJLVCUFAYQA-UHFFFAOYSA-N -1 0 424.404 3.790 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000096361175 568739197 /nfs/dbraw/zinc/73/91/97/568739197.db2.gz DYOFJLJWJMPLEB-UHFFFAOYSA-N -1 0 420.878 3.515 50 0 HHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Br)c3)c2)no1 ZINC000021701936 568741629 /nfs/dbraw/zinc/74/16/29/568741629.db2.gz VARARXQMCCCPFF-UHFFFAOYSA-N -1 0 400.279 3.670 50 0 HHAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1 ZINC000022408409 568767523 /nfs/dbraw/zinc/76/75/23/568767523.db2.gz SCQHGTGBOWPQCE-UHFFFAOYSA-N -1 0 405.419 3.928 50 0 HHAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022458770 568768129 /nfs/dbraw/zinc/76/81/29/568768129.db2.gz VJYUKFONJUTOSH-HXUWFJFHSA-N -1 0 419.554 3.712 50 0 HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000001072821 568768553 /nfs/dbraw/zinc/76/85/53/568768553.db2.gz JZJQBTXPIBBIKJ-CABCVRRESA-N -1 0 412.408 3.925 50 0 HHAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)o1 ZINC000001140483 568772791 /nfs/dbraw/zinc/77/27/91/568772791.db2.gz BYRFJAQTXYDUOU-DHZHZOJOSA-N -1 0 401.444 3.646 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000001137259 568773931 /nfs/dbraw/zinc/77/39/31/568773931.db2.gz ARLJUAFKDOWUFE-UHFFFAOYSA-N -1 0 415.515 3.508 50 0 HHAARM CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCC(=O)[O-] ZINC000055502461 568778124 /nfs/dbraw/zinc/77/81/24/568778124.db2.gz DKRVOIFFSIURDJ-UHFFFAOYSA-N -1 0 414.483 3.783 50 0 HHAARM O=C(NCc1cccnc1)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925577 568817320 /nfs/dbraw/zinc/81/73/20/568817320.db2.gz DIWCCHQTSRIXSZ-UHFFFAOYSA-N -1 0 414.556 3.638 50 0 HHAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1CCc1ccc(Cl)cc1 ZINC000002976006 568832615 /nfs/dbraw/zinc/83/26/15/568832615.db2.gz UARBMZRASHLUCU-UHFFFAOYSA-N -1 0 401.919 3.792 50 0 HHAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)n1C1CC1 ZINC000012508442 568840136 /nfs/dbraw/zinc/84/01/36/568840136.db2.gz RDVFWNMZUXJDOL-UHFFFAOYSA-N -1 0 416.528 3.949 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCc2sccc2C1 ZINC000012536186 568845512 /nfs/dbraw/zinc/84/55/12/568845512.db2.gz MMOROWQTOKJKPJ-UHFFFAOYSA-N -1 0 404.538 3.809 50 0 HHAARM COc1ccccc1-c1ccc(C(=O)[O-])c(N2CCN(c3ccccc3F)CC2)n1 ZINC000299757046 568872806 /nfs/dbraw/zinc/87/28/06/568872806.db2.gz HXJJVNVRDRGRCX-UHFFFAOYSA-N -1 0 407.445 3.921 50 0 HHAARM O=C([O-])COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(c2ccccn2)CC1 ZINC000299802023 568876786 /nfs/dbraw/zinc/87/67/86/568876786.db2.gz ZULPZCAIFJYLDM-UHFFFAOYSA-N -1 0 421.472 3.673 50 0 HHAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000003436023 568902777 /nfs/dbraw/zinc/90/27/77/568902777.db2.gz KCODMQNMUCUWJA-UHFFFAOYSA-N -1 0 417.405 3.734 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1C ZINC000012728938 568921111 /nfs/dbraw/zinc/92/11/11/568921111.db2.gz WHTIEFKMRQCKGV-OAHLLOKOSA-N -1 0 402.516 3.677 50 0 HHAARM O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)c(F)c1F ZINC000031722870 568929837 /nfs/dbraw/zinc/92/98/37/568929837.db2.gz VRWKJLQHJFHOBS-UHFFFAOYSA-N -1 0 419.446 3.621 50 0 HHAARM O=S(=O)([N-]c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000084343824 568946964 /nfs/dbraw/zinc/94/69/64/568946964.db2.gz CCKJVPHLASUXQC-AWEZNQCLSA-N -1 0 403.834 3.977 50 0 HHAARM CCCC[C@@H](Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(=O)[O-] ZINC000004165202 568947868 /nfs/dbraw/zinc/94/78/68/568947868.db2.gz UVNDWVDHENKZPI-OAHLLOKOSA-N -1 0 402.476 3.544 50 0 HHAARM CCOc1ccccc1NC(=O)c1cncc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004270207 568956551 /nfs/dbraw/zinc/95/65/51/568956551.db2.gz LUJSGILZJSHKSA-UHFFFAOYSA-N -1 0 411.483 3.842 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1cc(F)ccc1F ZINC000008107730 568974079 /nfs/dbraw/zinc/97/40/79/568974079.db2.gz HIRIBAZJWWTHJL-UHFFFAOYSA-N -1 0 404.442 3.751 50 0 HHAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000067642890 569008098 /nfs/dbraw/zinc/00/80/98/569008098.db2.gz HKNGCSRXPQGFDM-NRFANRHFSA-N -1 0 400.438 3.797 50 0 HHAARM O=c1nc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)[n-]c2ccsc21 ZINC000012878655 569014026 /nfs/dbraw/zinc/01/40/26/569014026.db2.gz JHOVNOLDTULCPM-UHFFFAOYSA-N -1 0 418.503 3.976 50 0 HHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146409 569014532 /nfs/dbraw/zinc/01/45/32/569014532.db2.gz FIURRRBYUHZKBX-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1 ZINC000015862007 569015764 /nfs/dbraw/zinc/01/57/64/569015764.db2.gz NLHLTKUBKBMELH-UHFFFAOYSA-N -1 0 415.418 3.939 50 0 HHAARM CC(NCc1cccc(C)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000006187991 569029663 /nfs/dbraw/zinc/02/96/63/569029663.db2.gz YMZMCHVGPIIWDT-GHRIWEEISA-N -1 0 417.387 3.660 50 0 HHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)[n-]c1=O ZINC000035378052 569034261 /nfs/dbraw/zinc/03/42/61/569034261.db2.gz DZMQBTLJOMJGFJ-UHFFFAOYSA-N -1 0 423.498 3.632 50 0 HHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000035378046 569034318 /nfs/dbraw/zinc/03/43/18/569034318.db2.gz YEFXGBZBRDFDOH-UHFFFAOYSA-N -1 0 423.498 3.632 50 0 HHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000035397388 569034882 /nfs/dbraw/zinc/03/48/82/569034882.db2.gz GYKKKLGPLGMIQS-UHFFFAOYSA-N -1 0 405.520 3.769 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000035397429 569034892 /nfs/dbraw/zinc/03/48/92/569034892.db2.gz GGOZFBQMSBHCTH-UHFFFAOYSA-N -1 0 403.504 3.578 50 0 HHAARM CC1(C)c2sc(=O)[nH]c2S[C@H](C(=O)[O-])[C@H]1C(=O)c1ccc2c(c1)CCCC2 ZINC000006550527 569064952 /nfs/dbraw/zinc/06/49/52/569064952.db2.gz UCXBMFCDQGUMNO-HIFRSBDPSA-N -1 0 403.525 3.651 50 0 HHAARM O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NC(=O)C1CCC1 ZINC000064590392 569069184 /nfs/dbraw/zinc/06/91/84/569069184.db2.gz UEKNIQHMNRHUAA-UHFFFAOYSA-N -1 0 411.477 3.585 50 0 HHAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104891 569092819 /nfs/dbraw/zinc/09/28/19/569092819.db2.gz XJSQNSJLASWBQM-HSMVNMDESA-N -1 0 406.939 3.911 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)[n-]c1=O ZINC000064774698 569093275 /nfs/dbraw/zinc/09/32/75/569093275.db2.gz RZBABTUDYJEIII-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)C1 ZINC000064820284 569102530 /nfs/dbraw/zinc/10/25/30/569102530.db2.gz WZTSSDLUNUEYDH-GOSISDBHSA-N -1 0 410.470 3.725 50 0 HHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000064843301 569107076 /nfs/dbraw/zinc/10/70/76/569107076.db2.gz CYLACPUDMIXTGO-UHFFFAOYSA-N -1 0 405.520 3.824 50 0 HHAARM CCOc1cc(C(=O)Nc2c([O-])c3ccccc3oc2=O)cc(OCC)c1OCC ZINC000006826557 569141478 /nfs/dbraw/zinc/14/14/78/569141478.db2.gz BPIZROJUFWYFJY-UHFFFAOYSA-N -1 0 413.426 3.947 50 0 HHAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000065060209 569163898 /nfs/dbraw/zinc/16/38/98/569163898.db2.gz GPQYEOKKSLMNQG-UHFFFAOYSA-N -1 0 418.496 3.699 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)c(OC)c1 ZINC000065060178 569163945 /nfs/dbraw/zinc/16/39/45/569163945.db2.gz DFOPPLMIWDBQFZ-UHFFFAOYSA-N -1 0 420.512 3.945 50 0 HHAARM CC(=O)Nc1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@H](C)CC4)c1 ZINC000065150508 569184857 /nfs/dbraw/zinc/18/48/57/569184857.db2.gz PKUILGOJMPRWNO-SNVBAGLBSA-N -1 0 411.483 3.631 50 0 HHAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccccc2OC)c1C ZINC000065194639 569192803 /nfs/dbraw/zinc/19/28/03/569192803.db2.gz FLNOPAXJUATNJL-UHFFFAOYSA-N -1 0 416.503 3.862 50 0 HHAARM Cc1ccc(F)c([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)c1 ZINC000065196290 569194628 /nfs/dbraw/zinc/19/46/28/569194628.db2.gz USXKIZPWSIHXJS-UHFFFAOYSA-N -1 0 408.520 3.681 50 0 HHAARM CCc1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 ZINC000065250001 569206036 /nfs/dbraw/zinc/20/60/36/569206036.db2.gz QYFUMKZHLSLCIL-UHFFFAOYSA-N -1 0 408.845 3.888 50 0 HHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(-c2nc(-c4cccc(F)c4)no2)c3[O-])cc1 ZINC000065256957 569208538 /nfs/dbraw/zinc/20/85/38/569208538.db2.gz RVTWVUHNEJBSFU-UHFFFAOYSA-N -1 0 403.373 3.584 50 0 HHAARM CC(C)N1CCCn2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2C1=O ZINC000065258825 569210467 /nfs/dbraw/zinc/21/04/67/569210467.db2.gz VNXDVNCXFVNGQW-UHFFFAOYSA-N -1 0 415.437 3.562 50 0 HHAARM O=C([N-]c1nnc(-c2ccc(Br)o2)o1)c1cc(-c2ccccc2)on1 ZINC000036709556 569224195 /nfs/dbraw/zinc/22/41/95/569224195.db2.gz WVXDSQBESPDSDP-UHFFFAOYSA-N -1 0 401.176 3.999 50 0 HHAARM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000065607444 569237279 /nfs/dbraw/zinc/23/72/79/569237279.db2.gz FLXMRGAASLXTNX-UHFFFAOYSA-N -1 0 404.271 3.519 50 0 HHAARM CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000007551098 569249062 /nfs/dbraw/zinc/24/90/62/569249062.db2.gz UXCBGQQTCXLBMN-MRXNPFEDSA-N -1 0 415.273 3.762 50 0 HHAARM [O-]C(c1cccs1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170623511 569249767 /nfs/dbraw/zinc/24/97/67/569249767.db2.gz AKEUCVWDCLRVMV-ZOWXZIJZSA-N -1 0 420.865 3.670 50 0 HHAARM O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017092880 569274734 /nfs/dbraw/zinc/27/47/34/569274734.db2.gz IUBBHOXQNVQSDA-BQYQJAHWSA-N -1 0 422.220 3.612 50 0 HHAARM O=C(NCc1cccnc1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002847187 569278141 /nfs/dbraw/zinc/27/81/41/569278141.db2.gz MGSWTKYXQXPRIA-UHFFFAOYSA-N -1 0 408.527 3.577 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002104945 569282179 /nfs/dbraw/zinc/28/21/79/569282179.db2.gz MDBZMHWWCZQWBA-RHSMWYFYSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002107288 569283227 /nfs/dbraw/zinc/28/32/27/569283227.db2.gz JYVPSHHYNOXDHM-ZDUSSCGKSA-N -1 0 411.454 3.557 50 0 biogenic HHAARM C[C@@](Cc1ccccc1)(NC(=O)c1cc2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC000170671901 569297694 /nfs/dbraw/zinc/29/76/94/569297694.db2.gz FBJQSXBGQOTEEI-IBGZPJMESA-N -1 0 401.260 3.746 50 0 HHAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000007885176 569315264 /nfs/dbraw/zinc/31/52/64/569315264.db2.gz BTETZFPHCNJPPL-OAQYLSRUSA-N -1 0 402.406 3.880 50 0 HHAARM COc1cccc([C@@H]2CC(c3cccc(Cl)c3)=NN2C(=O)CCC(=O)[O-])c1OC ZINC000253432589 569369828 /nfs/dbraw/zinc/36/98/28/569369828.db2.gz LNLZTUZBDVYEFP-KRWDZBQOSA-N -1 0 416.861 3.900 50 0 HHAARM COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000002396917 569394426 /nfs/dbraw/zinc/39/44/26/569394426.db2.gz IQCWNKSLDUSIFD-UJFYRASASA-N -1 0 415.423 3.551 50 0 HHAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000012893877 569404671 /nfs/dbraw/zinc/40/46/71/569404671.db2.gz FSDNTBYEMLBSSP-UHFFFAOYSA-N -1 0 411.797 3.748 50 0 biogenic HHAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1C ZINC000079108536 569427903 /nfs/dbraw/zinc/42/79/03/569427903.db2.gz MWEJVKSUWGGTSF-UHFFFAOYSA-N -1 0 423.903 3.754 50 0 HHAARM O=S(=O)([N-]c1ccc(OCC(F)(F)F)nc1)c1ccc(C(F)(F)F)cc1 ZINC000040150855 571199115 /nfs/dbraw/zinc/19/91/15/571199115.db2.gz BNFQMNHKYVWUDF-UHFFFAOYSA-N -1 0 400.300 3.842 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000009002297 571209791 /nfs/dbraw/zinc/20/97/91/571209791.db2.gz YJGRDJGGHIZFJA-UHFFFAOYSA-N -1 0 405.453 3.608 50 0 HHAARM COc1cccc(-n2c(=O)cc([O-])nc2SCc2nc(-c3ccccc3C)no2)c1 ZINC000069350625 571221566 /nfs/dbraw/zinc/22/15/66/571221566.db2.gz AJZJAWHUIGWXRZ-UHFFFAOYSA-N -1 0 422.466 3.597 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc(OC)c1OC ZINC000009228230 571239413 /nfs/dbraw/zinc/23/94/13/571239413.db2.gz BSPZFJVMQAXHRY-UHFFFAOYSA-N -1 0 410.473 3.538 50 0 HHAARM O=c1cc(CSc2ncccn2)nc2[n-]c(SCc3ccc(Cl)cc3)nn21 ZINC000009418912 571256561 /nfs/dbraw/zinc/25/65/61/571256561.db2.gz HQCRYGFLCSREJT-UHFFFAOYSA-N -1 0 416.919 3.858 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)on1 ZINC000009637898 571275313 /nfs/dbraw/zinc/27/53/13/571275313.db2.gz CWBODNWNVBXYSH-UHFFFAOYSA-N -1 0 416.455 3.636 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccccc2C)c(C)n1C ZINC000009685327 571279835 /nfs/dbraw/zinc/27/98/35/571279835.db2.gz MDGJGWXNPXMCKW-UHFFFAOYSA-N -1 0 403.548 3.767 50 0 HHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccccc1 ZINC000009828520 571286776 /nfs/dbraw/zinc/28/67/76/571286776.db2.gz LPCMLZYSJNPYRP-UHFFFAOYSA-N -1 0 407.904 3.779 50 0 HHAARM CCC(CC)(CC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000010172364 571295819 /nfs/dbraw/zinc/29/58/19/571295819.db2.gz GVMITWABFVDUJS-UHFFFAOYSA-N -1 0 422.478 3.846 50 0 HHAARM O=C([O-])c1ccc(CSc2nnc(NC(=O)c3ccc4[nH]cnc4c3)s2)cc1 ZINC000012530490 571307944 /nfs/dbraw/zinc/30/79/44/571307944.db2.gz ZKKXVQWEPVQDHX-UHFFFAOYSA-N -1 0 411.468 3.657 50 0 HHAARM Cc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000033929833 571310612 /nfs/dbraw/zinc/31/06/12/571310612.db2.gz AWVVWIGVSKMSGW-QOYCNBSOSA-N -1 0 405.450 3.838 50 0 HHAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2cnc(Oc3ccccc3)nc2)c1 ZINC000077101358 571311621 /nfs/dbraw/zinc/31/16/21/571311621.db2.gz YGXFMBFHPRJDLJ-UHFFFAOYSA-N -1 0 415.471 3.867 50 0 HHAARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCCC)c1=O ZINC000005738258 960774525 /nfs/dbraw/zinc/77/45/25/960774525.db2.gz VEMDRZUJPNQYDH-UHFFFAOYSA-N -1 0 406.438 3.712 50 0 HHAARM CN(Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)/C=C\C(=O)[O-] ZINC000096913127 969055494 /nfs/dbraw/zinc/05/54/94/969055494.db2.gz SHXBHCRHAOYIFE-QXMHVHEDSA-N -1 0 401.422 3.885 50 0 HHAARM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1nc2ccc(Br)cn2n1 ZINC000221896492 970100769 /nfs/dbraw/zinc/10/07/69/970100769.db2.gz NZHBUCUCKOEALN-FPLPWBNLSA-N -1 0 413.684 3.558 50 0 HHAARM Cc1cc(C)nc(N=NCc2cc(Br)cc(Br)c2[O-])n1 ZINC000254670507 970576522 /nfs/dbraw/zinc/57/65/22/970576522.db2.gz ULJQQRNLDQMXQZ-UHFFFAOYSA-N -1 0 400.074 3.770 50 0 HHAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cccs1 ZINC000005144827 132303255 /nfs/dbraw/zinc/30/32/55/132303255.db2.gz QXHFTVQNSFAVAF-UHFFFAOYSA-N -1 0 400.529 3.996 50 0 HHAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000035618532 132802791 /nfs/dbraw/zinc/80/27/91/132802791.db2.gz MLQBKKDOVITPQI-FCHUYYIVSA-N -1 0 417.417 3.994 50 0 HHAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)c1 ZINC000032926314 518462067 /nfs/dbraw/zinc/46/20/67/518462067.db2.gz JZAJJHQTBNLCIG-UHFFFAOYSA-N -1 0 420.288 3.638 50 0 HHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000044803214 519701994 /nfs/dbraw/zinc/70/19/94/519701994.db2.gz WPCSLNOQYYKHGR-ZDUSSCGKSA-N -1 0 423.498 3.630 50 0 HHAARM CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C2 ZINC000252428339 519808937 /nfs/dbraw/zinc/80/89/37/519808937.db2.gz YVYOHLNJGLJXES-GGPATYEESA-N -1 0 421.921 3.792 50 0 HHAARM CC[C@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032948602 523975944 /nfs/dbraw/zinc/97/59/44/523975944.db2.gz KLIGDERRLITVIW-NSHDSACASA-N -1 0 420.585 3.820 50 0 HHAARM O=C([O-])CC1(CNC(=O)Cn2ccc3c2cccc3Br)CCCCC1 ZINC000040268675 527568810 /nfs/dbraw/zinc/56/88/10/527568810.db2.gz AIQQWMRPGUCFHX-UHFFFAOYSA-N -1 0 407.308 3.945 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)nc(C)n1 ZINC000000780116 557078193 /nfs/dbraw/zinc/07/81/93/557078193.db2.gz NCDYDFMITDCUDD-UHFFFAOYSA-N -1 0 422.466 3.893 50 0 HHAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)C2=O ZINC000000832901 557095819 /nfs/dbraw/zinc/09/58/19/557095819.db2.gz DVFULDBFNLAQRF-UHFFFAOYSA-N -1 0 411.373 3.902 50 0 HHAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627660 557113981 /nfs/dbraw/zinc/11/39/81/557113981.db2.gz WMKNCEJDYDSPGL-CQSZACIVSA-N -1 0 413.330 3.658 50 0 HHAARM O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001054078 557160974 /nfs/dbraw/zinc/16/09/74/557160974.db2.gz JRSDGEBCMDJFKY-UHFFFAOYSA-N -1 0 407.904 3.779 50 0 HHAARM CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000001156077 557213707 /nfs/dbraw/zinc/21/37/07/557213707.db2.gz ALOBHKZKIFYQSA-YPHDTHBOSA-N -1 0 409.441 3.956 50 0 HHAARM O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000001217577 557246903 /nfs/dbraw/zinc/24/69/03/557246903.db2.gz HRSNSYSPJXYPNC-FMIVXFBMSA-N -1 0 420.450 3.676 50 0 HHAARM COc1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000002114757 557315451 /nfs/dbraw/zinc/31/54/51/557315451.db2.gz AEBWHBHPWWUKQW-UHFFFAOYSA-N -1 0 404.422 3.827 50 0 HHAARM O=C([O-])c1cccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1 ZINC000002763075 557381877 /nfs/dbraw/zinc/38/18/77/557381877.db2.gz FFDWDASEQLUTRC-BRRVFRNMSA-N -1 0 400.866 3.564 50 0 HHAARM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002989617 557437467 /nfs/dbraw/zinc/43/74/67/557437467.db2.gz PYFQQYHMRPMHCN-UHFFFAOYSA-N -1 0 407.904 3.779 50 0 HHAARM O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O)NC1CCCCC1 ZINC000034764003 557461367 /nfs/dbraw/zinc/46/13/67/557461367.db2.gz ALKPMJQPTSSQTJ-UHFFFAOYSA-N -1 0 410.518 3.805 50 0 HHAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C ZINC000003561071 557493242 /nfs/dbraw/zinc/49/32/42/557493242.db2.gz WCQVQFVJPVEZTK-UHFFFAOYSA-N -1 0 417.512 3.578 50 0 HHAARM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000004195048 557527630 /nfs/dbraw/zinc/52/76/30/557527630.db2.gz WKBREAHLDIKPDY-LALPHHSUSA-N -1 0 404.797 3.505 50 0 HHAARM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O ZINC000004472180 557556738 /nfs/dbraw/zinc/55/67/38/557556738.db2.gz MRLTXEYLPCUWFS-HPUUJOOBSA-N -1 0 415.423 3.633 50 0 HHAARM CC(C)C[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000005092054 557634765 /nfs/dbraw/zinc/63/47/65/557634765.db2.gz MAORSCWMXCIWTC-BIRYMOPTSA-N -1 0 414.889 3.726 50 0 HHAARM CCn1ccc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)n1 ZINC000002779270 557761511 /nfs/dbraw/zinc/76/15/11/557761511.db2.gz BSPJWSPNHIYQLP-CYBMUJFWSA-N -1 0 413.547 3.518 50 0 HHAARM Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000002780387 557761669 /nfs/dbraw/zinc/76/16/69/557761669.db2.gz IYTRMQNTRZKLHE-UHFFFAOYSA-N -1 0 412.334 3.865 50 0 HHAARM CCOc1cc2c(cc1/C=C1\CCn3c1nc1cc(C(=O)[O-])ccc1c3=O)O[C@H](C)C2 ZINC000008718146 557801784 /nfs/dbraw/zinc/80/17/84/557801784.db2.gz MVTRBRDZDRKGSV-OZYJXZHSSA-N -1 0 418.449 3.761 50 0 HHAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004356041 558443361 /nfs/dbraw/zinc/44/33/61/558443361.db2.gz VIIBMJOBKRBJQM-MOSHPQCFSA-N -1 0 402.454 3.542 50 0 HHAARM O=C([O-])Cc1csc(SCC(=O)NCC(c2ccccc2)c2ccccc2)n1 ZINC000012925385 558486251 /nfs/dbraw/zinc/48/62/51/558486251.db2.gz XDFDBIOOSGFBAH-UHFFFAOYSA-N -1 0 412.536 3.811 50 0 HHAARM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OCC(F)(F)F)ccc2N1 ZINC000023042605 558531510 /nfs/dbraw/zinc/53/15/10/558531510.db2.gz JCWSPNFTXRSESE-UHFFFAOYSA-N -1 0 420.796 3.577 50 0 HHAARM CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](Oc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC000013401078 558531576 /nfs/dbraw/zinc/53/15/76/558531576.db2.gz YVYOHLNJGLJXES-FYXPUYRQSA-N -1 0 421.921 3.792 50 0 HHAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2Br)ccc1Cl ZINC000013943144 558605158 /nfs/dbraw/zinc/60/51/58/558605158.db2.gz QRLLMOAMMRXRCB-UHFFFAOYSA-N -1 0 413.680 3.928 50 0 HHAARM CCOc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1C1CCCCC1 ZINC000013957056 558607830 /nfs/dbraw/zinc/60/78/30/558607830.db2.gz GBQFEHWAULYHFB-UHFFFAOYSA-N -1 0 403.504 3.584 50 0 HHAARM C[C@@H](SC1=NC(=O)C(c2ccccc2)C([O-])=N1)C(=O)Nc1ccc(Cl)cc1 ZINC000013496811 558641226 /nfs/dbraw/zinc/64/12/26/558641226.db2.gz OGETWRVLVJZZOE-LLVKDONJSA-N -1 0 401.875 3.915 50 0 HHAARM C[C@@](CC(=O)Nc1cccc(NC(=O)c2ccncc2)c1)(C(=O)[O-])c1ccccc1 ZINC000027057113 558669063 /nfs/dbraw/zinc/66/90/63/558669063.db2.gz NNZHPUIPZQFMMB-QHCPKHFHSA-N -1 0 403.438 3.705 50 0 HHAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000015269459 558729976 /nfs/dbraw/zinc/72/99/76/558729976.db2.gz ITQQIKMJYQFEHL-UHFFFAOYSA-N -1 0 416.480 3.572 50 0 HHAARM COc1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000016777174 558806353 /nfs/dbraw/zinc/80/63/53/558806353.db2.gz SXKKLWCLSGHMDX-UHFFFAOYSA-N -1 0 416.890 3.561 50 0 HHAARM [O-]c1c(I)cc(C(F)(F)F)cc1I ZINC000038479966 558811447 /nfs/dbraw/zinc/81/14/47/558811447.db2.gz PFTYBCBURDKLTH-UHFFFAOYSA-N -1 0 413.902 3.620 50 0 HHAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@H](C)C2 ZINC000017087444 558816310 /nfs/dbraw/zinc/81/63/10/558816310.db2.gz FVNWFVJGTYFRCU-STQMWFEESA-N -1 0 406.548 3.985 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)[C@H](C(=O)[O-])C1 ZINC000017090749 558819415 /nfs/dbraw/zinc/81/94/15/558819415.db2.gz BUMRHLINJSWVEU-JKSUJKDBSA-N -1 0 416.543 3.905 50 0 HHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017090758 558819447 /nfs/dbraw/zinc/81/94/47/558819447.db2.gz ODVHRKNQCBTSEO-BRXCMPCDSA-N -1 0 416.543 3.595 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017090769 558819456 /nfs/dbraw/zinc/81/94/56/558819456.db2.gz DGUFXYSKIBSHAD-YUELXQCFSA-N -1 0 416.543 3.761 50 0 HHAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(=O)NCc2cccnc2)c1-c1ccccc1 ZINC000017093595 558822107 /nfs/dbraw/zinc/82/21/07/558822107.db2.gz APZKLWXPHUKVNZ-UHFFFAOYSA-N -1 0 423.494 3.852 50 0 HHAARM NC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017093985 558822350 /nfs/dbraw/zinc/82/23/50/558822350.db2.gz WSSQOBWVDYQCNW-YCUKKYJWSA-N -1 0 424.522 3.688 50 0 HHAARM NC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017093988 558822364 /nfs/dbraw/zinc/82/23/64/558822364.db2.gz WSSQOBWVDYQCNW-CXMPNGEBSA-N -1 0 424.522 3.688 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007390 558827578 /nfs/dbraw/zinc/82/75/78/558827578.db2.gz ANULMQNKTPIQAF-OAHLLOKOSA-N -1 0 418.515 3.821 50 0 HHAARM CCOC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325920 558862622 /nfs/dbraw/zinc/86/26/22/558862622.db2.gz HDFGZKULBIFXOH-ZDUSSCGKSA-N -1 0 415.829 3.701 50 0 biogenic HHAARM O=C([O-])[C@@H]1CC[C@H](c2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn32)C1 ZINC000170620159 558881597 /nfs/dbraw/zinc/88/15/97/558881597.db2.gz MZJANNJFIYBDHZ-UONOGXRCSA-N -1 0 420.856 3.926 50 0 HHAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253441 558921523 /nfs/dbraw/zinc/92/15/23/558921523.db2.gz OCNVFWXMJOACMM-UHFFFAOYSA-N -1 0 402.516 3.984 50 0 HHAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000033253643 558922017 /nfs/dbraw/zinc/92/20/17/558922017.db2.gz PRUZIIFLNXKUQU-UHFFFAOYSA-N -1 0 402.516 3.911 50 0 HHAARM Cc1ccccc1C(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[n-]n3c2=O)C1 ZINC000097942005 558947932 /nfs/dbraw/zinc/94/79/32/558947932.db2.gz FAUYIYHJYFXWHS-UHFFFAOYSA-N -1 0 418.884 3.850 50 0 HHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263872 558959515 /nfs/dbraw/zinc/95/95/15/558959515.db2.gz XDOWVYMACZMXMV-UHFFFAOYSA-N -1 0 400.334 3.957 50 0 HHAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1Cl)Sc1nc2ccccc2c2nnnn21 ZINC000585157964 559063759 /nfs/dbraw/zinc/06/37/59/559063759.db2.gz XUTFHTYXCDAAKB-CQSZACIVSA-N -1 0 420.281 3.767 50 0 HHAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(Br)cc1Cl ZINC000005121319 559247849 /nfs/dbraw/zinc/24/78/49/559247849.db2.gz JTQLRZFMXHBFAQ-UHFFFAOYSA-N -1 0 404.669 3.675 50 0 HHAARM COc1ccccc1C(=O)NCc1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000005128745 559249009 /nfs/dbraw/zinc/24/90/09/559249009.db2.gz CZQYNUVSZKTOHU-UHFFFAOYSA-N -1 0 408.405 3.887 50 0 HHAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238882125 559271584 /nfs/dbraw/zinc/27/15/84/559271584.db2.gz CKVHTTDFJBGBCN-JYJNAYRXSA-N -1 0 415.486 3.520 50 0 biogenic HHAARM C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(=O)[O-])n1-c1ccc(F)cc1 ZINC000005267101 560553876 /nfs/dbraw/zinc/55/38/76/560553876.db2.gz FGAIZQICIPGDJI-CYBMUJFWSA-N -1 0 411.458 3.780 50 0 HHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000983121 560726700 /nfs/dbraw/zinc/72/67/00/560726700.db2.gz AJMFJCSXHLZTQP-SNVBAGLBSA-N -1 0 417.350 3.840 50 0 HHAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1Cl ZINC000006209980 560740397 /nfs/dbraw/zinc/74/03/97/560740397.db2.gz GPXQBPSPYLHNMB-UHFFFAOYSA-N -1 0 415.902 3.774 50 0 HHAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4cccc(C)c4)c3)cn2n1 ZINC000011693555 560773764 /nfs/dbraw/zinc/77/37/64/560773764.db2.gz VVSIBMNWLWPVQJ-UHFFFAOYSA-N -1 0 424.482 3.523 50 0 HHAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(-c4cccs4)nn32)cc1 ZINC000101167924 560787442 /nfs/dbraw/zinc/78/74/42/560787442.db2.gz AMBPOQHEVYMXIU-SFHVURJKSA-N -1 0 402.435 3.704 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000101260591 560789984 /nfs/dbraw/zinc/78/99/84/560789984.db2.gz WUCLKLRJAOLQEK-CVEARBPZSA-N -1 0 417.238 3.703 50 0 HHAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 ZINC000101298385 560791181 /nfs/dbraw/zinc/79/11/81/560791181.db2.gz MQQYTTHVHCCLJB-FQEVSTJZSA-N -1 0 418.453 3.744 50 0 HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101418385 560794832 /nfs/dbraw/zinc/79/48/32/560794832.db2.gz NMURZSRHNBTVLE-SJORKVTESA-N -1 0 402.376 3.761 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(C)c(F)c3)c([O-])c3cccnc32)c1 ZINC000101722155 560798732 /nfs/dbraw/zinc/79/87/32/560798732.db2.gz KMTQZFAOJYDGHH-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)N[C@H](C)c3ccccc3)c([O-])c3cccnc32)c1 ZINC000101722468 560798839 /nfs/dbraw/zinc/79/88/39/560798839.db2.gz BEAHJSYYBHVJPL-OAHLLOKOSA-N -1 0 415.449 3.591 50 0 HHAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722719 560798924 /nfs/dbraw/zinc/79/89/24/560798924.db2.gz GJAJLLDBWYCADM-UHFFFAOYSA-N -1 0 419.868 3.734 50 0 HHAARM COc1cccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)c1 ZINC000101803122 560802281 /nfs/dbraw/zinc/80/22/81/560802281.db2.gz SFPABIVLALKDCL-UHFFFAOYSA-N -1 0 409.877 3.591 50 0 HHAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(F)cc1F ZINC000101835570 560803368 /nfs/dbraw/zinc/80/33/68/560803368.db2.gz HQPQPCHFHKSIEU-GOSISDBHSA-N -1 0 410.380 3.705 50 0 HHAARM C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000024579696 560860263 /nfs/dbraw/zinc/86/02/63/560860263.db2.gz VMICHFNEQOWSTE-OAHLLOKOSA-N -1 0 406.935 3.833 50 0 HHAARM Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000005747857 560869329 /nfs/dbraw/zinc/86/93/29/560869329.db2.gz SMGXEZAJSUAQJF-OLJONYEBSA-N -1 0 409.441 3.630 50 0 HHAARM COc1ccc(C(=O)Nc2ccc(N(C)CCc3c(C)noc3C)c(C(=O)[O-])c2)cc1 ZINC000046053607 568425389 /nfs/dbraw/zinc/42/53/89/568425389.db2.gz IEUBFCUWZWRMRL-UHFFFAOYSA-N -1 0 423.469 3.929 50 0 HHAARM COc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 ZINC000049409616 568449712 /nfs/dbraw/zinc/44/97/12/568449712.db2.gz LPMFFYDPSIESTQ-UHFFFAOYSA-N -1 0 420.490 3.756 50 0 HHAARM Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1C(=O)NCCC(C)C ZINC000012323130 568471271 /nfs/dbraw/zinc/47/12/71/568471271.db2.gz HPVWSTGXDJMCAG-UHFFFAOYSA-N -1 0 401.941 3.682 50 0 HHAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1cccnc1 ZINC000095750643 568511489 /nfs/dbraw/zinc/51/14/89/568511489.db2.gz GGTIJXPEZGDCOJ-QGZVFWFLSA-N -1 0 402.450 3.864 50 0 HHAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c(=O)n21 ZINC000033256312 568512590 /nfs/dbraw/zinc/51/25/90/568512590.db2.gz POGOJVYAUIPGGD-UHFFFAOYSA-N -1 0 413.524 3.944 50 0 HHAARM Cc1c(Cc2ccccc2)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(N)=O ZINC000000794212 568605110 /nfs/dbraw/zinc/60/51/10/568605110.db2.gz BANHQLBNKVOICA-HUUCEWRRSA-N -1 0 400.500 3.576 50 0 HHAARM C[C@@H](CN(Cc1ccccc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)[O-] ZINC000095424400 568607497 /nfs/dbraw/zinc/60/74/97/568607497.db2.gz JEYMMWMGBCCEFT-KRWDZBQOSA-N -1 0 421.497 3.794 50 0 HHAARM CCOc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000020532759 568628581 /nfs/dbraw/zinc/62/85/81/568628581.db2.gz HPEXALRLCYTLSO-UHFFFAOYSA-N -1 0 411.483 3.842 50 0 HHAARM Nc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])cc1Cl ZINC000095961505 568670119 /nfs/dbraw/zinc/67/01/19/568670119.db2.gz PPPLXDIOQQELLP-UHFFFAOYSA-N -1 0 400.243 3.556 50 0 HHAARM COc1cc(OC)cc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000225781277 568674508 /nfs/dbraw/zinc/67/45/08/568674508.db2.gz MHMZHUHJOALGFH-QGZVFWFLSA-N -1 0 402.472 3.698 50 0 HHAARM CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCCC[C@H]32)C(=O)NC1=S ZINC000229919820 568716047 /nfs/dbraw/zinc/71/60/47/568716047.db2.gz FAXHGYNNSDBMHI-GTXQTCRKSA-N -1 0 419.978 3.673 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3Cl)C2)cc1OC ZINC000000890340 568740760 /nfs/dbraw/zinc/74/07/60/568740760.db2.gz ACZOMONSVCMHIW-KRWDZBQOSA-N -1 0 416.861 3.900 50 0 HHAARM Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021726122 568751612 /nfs/dbraw/zinc/75/16/12/568751612.db2.gz KNGHSFINZIMROC-AWEZNQCLSA-N -1 0 404.451 3.963 50 0 HHAARM O=C([N-]S(=O)(=O)c1ccc(Nc2cccc(Cl)c2)nc1)Nc1ccccc1 ZINC000252485558 568752022 /nfs/dbraw/zinc/75/20/22/568752022.db2.gz GYUIJCWPFDYBAS-UHFFFAOYSA-N -1 0 402.863 3.989 50 0 HHAARM CCc1cccc([N-]S(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)c1 ZINC000021883990 568758225 /nfs/dbraw/zinc/75/82/25/568758225.db2.gz ZDIMKVKCEFGDEB-UHFFFAOYSA-N -1 0 413.524 3.889 50 0 HHAARM CCC(=O)N(C(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-])c1ccccc1Br ZINC000096581703 568762683 /nfs/dbraw/zinc/76/26/83/568762683.db2.gz XSDOJCHXFMKFBU-UHFFFAOYSA-N -1 0 421.203 3.639 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)nc(C)n1 ZINC000001088115 568768972 /nfs/dbraw/zinc/76/89/72/568768972.db2.gz FNVFSMBZIPQTMP-PMACEKPBSA-N -1 0 422.510 3.636 50 0 HHAARM CC(C)c1c([O-])nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O ZINC000001138707 568772063 /nfs/dbraw/zinc/77/20/63/568772063.db2.gz KQBJPAGIBWDWNE-UHFFFAOYSA-N -1 0 401.532 3.603 50 0 HHAARM Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000002779141 568808184 /nfs/dbraw/zinc/80/81/84/568808184.db2.gz HAMMKGJCPAVHMY-UHFFFAOYSA-N -1 0 412.334 3.865 50 0 HHAARM CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)cc1OCCC ZINC000005950389 568831656 /nfs/dbraw/zinc/83/16/56/568831656.db2.gz XRDXWHQDXHGMIS-YCRPNKLZSA-N -1 0 407.507 3.843 50 0 HHAARM COc1ccccc1Cn1c(=O)c2cc(I)ccc2[n-]c1=S ZINC000002970508 568831728 /nfs/dbraw/zinc/83/17/28/568831728.db2.gz HUADLZSTRWNJDG-UHFFFAOYSA-N -1 0 424.263 3.721 50 0 HHAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000002976023 568832566 /nfs/dbraw/zinc/83/25/66/568832566.db2.gz LPPROLRAZZNISH-UHFFFAOYSA-N -1 0 406.511 3.620 50 0 HHAARM CCN(CCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)c1ccccc1 ZINC000002976046 568832621 /nfs/dbraw/zinc/83/26/21/568832621.db2.gz MMGHBKRCUCRVNT-UHFFFAOYSA-N -1 0 424.570 3.812 50 0 HHAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000012521241 568841618 /nfs/dbraw/zinc/84/16/18/568841618.db2.gz QWRVSKCKMMFSKQ-UHFFFAOYSA-N -1 0 410.495 3.531 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2)c1 ZINC000003215768 568846891 /nfs/dbraw/zinc/84/68/91/568846891.db2.gz MTKPQHRLMDECBB-UHFFFAOYSA-N -1 0 410.495 3.734 50 0 HHAARM COc1ccc(NC(=O)Cc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012541563 568848720 /nfs/dbraw/zinc/84/87/20/568848720.db2.gz GERFDBUTYQEJAP-UHFFFAOYSA-N -1 0 414.458 3.816 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000004062037 568881612 /nfs/dbraw/zinc/88/16/12/568881612.db2.gz POTRGKCAVYYTBF-MRXNPFEDSA-N -1 0 417.502 3.973 50 0 biogenic HHAARM CCCn1c(SCC(=O)NCc2ccc(C(=O)[O-])cc2)nnc1-c1cccc(C)c1 ZINC000003448047 568904854 /nfs/dbraw/zinc/90/48/54/568904854.db2.gz RLQOYPLMMJIJNZ-UHFFFAOYSA-N -1 0 424.526 3.770 50 0 HHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000012652284 568906614 /nfs/dbraw/zinc/90/66/14/568906614.db2.gz GSJDGDJFHKFPNM-UHFFFAOYSA-N -1 0 423.541 3.545 50 0 HHAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ncccc1O[C@H](C)c1ccccc1 ZINC000084008504 568932944 /nfs/dbraw/zinc/93/29/44/568932944.db2.gz BFVYZANYFFXYLW-QGZVFWFLSA-N -1 0 414.531 3.839 50 0 HHAARM CCC(=O)N1[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1cc(OC)ccc1OC ZINC000004029343 568934331 /nfs/dbraw/zinc/93/43/31/568934331.db2.gz WWDMXHVDNFWRMO-AVRDEDQJSA-N -1 0 408.454 3.522 50 0 biogenic HHAARM CCOc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000015781997 569002882 /nfs/dbraw/zinc/00/28/82/569002882.db2.gz IADIUMOEDGXBCP-QGZVFWFLSA-N -1 0 414.458 3.709 50 0 HHAARM COc1ccc(C)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000015782028 569002898 /nfs/dbraw/zinc/00/28/98/569002898.db2.gz VIOAUTSLGQWOJS-QGZVFWFLSA-N -1 0 414.458 3.627 50 0 HHAARM CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000015781999 569002929 /nfs/dbraw/zinc/00/29/29/569002929.db2.gz IMFQQGRSBYDSOS-SFHVURJKSA-N -1 0 414.458 3.709 50 0 HHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146999 569014623 /nfs/dbraw/zinc/01/46/23/569014623.db2.gz CMIKZYWVQBVTKU-UHFFFAOYSA-N -1 0 414.414 3.608 50 0 HHAARM CCOc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000101723525 569017425 /nfs/dbraw/zinc/01/74/25/569017425.db2.gz WJLIKHASTYKWQJ-UHFFFAOYSA-N -1 0 401.422 3.742 50 0 HHAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000006204240 569032715 /nfs/dbraw/zinc/03/27/15/569032715.db2.gz TWXJEQAZBVNJCP-LRDNONRASA-N -1 0 403.475 3.518 50 0 HHAARM CCCNC(=O)[N-]S(=O)(=O)c1cnccc1Sc1c(Cl)cccc1Cl ZINC000006235189 569033933 /nfs/dbraw/zinc/03/39/33/569033933.db2.gz AARGVGQXACWVNT-UHFFFAOYSA-N -1 0 420.343 3.938 50 0 HHAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000035397611 569034935 /nfs/dbraw/zinc/03/49/35/569034935.db2.gz UIEXJPWSUJQHFM-UHFFFAOYSA-N -1 0 421.494 3.799 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000035405506 569035875 /nfs/dbraw/zinc/03/58/75/569035875.db2.gz ZUYLNJWDWARXRX-UHFFFAOYSA-N -1 0 408.545 3.882 50 0 HHAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000035539426 569043671 /nfs/dbraw/zinc/04/36/71/569043671.db2.gz PTXOURRVBNUAPT-UHFFFAOYSA-N -1 0 405.457 3.513 50 0 HHAARM COc1ccc(OCCS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2OC)cc1 ZINC000070878494 569048757 /nfs/dbraw/zinc/04/87/57/569048757.db2.gz AGUREELBFOUVOJ-UHFFFAOYSA-N -1 0 405.394 3.543 50 0 HHAARM O=C(CCn1ccc2ccc(Br)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245257235 569055577 /nfs/dbraw/zinc/05/55/77/569055577.db2.gz XIUNFXZKIOHACZ-CTYIDZIISA-N -1 0 407.308 3.801 50 0 HHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000006551977 569065203 /nfs/dbraw/zinc/06/52/03/569065203.db2.gz XOMGGZIFXNAKKW-UHFFFAOYSA-N -1 0 414.414 3.608 50 0 HHAARM COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 ZINC000064590444 569069199 /nfs/dbraw/zinc/06/91/99/569069199.db2.gz BKZHEBNCYHYUHA-UHFFFAOYSA-N -1 0 423.513 3.849 50 0 HHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000006623233 569075119 /nfs/dbraw/zinc/07/51/19/569075119.db2.gz MOTMDSZKTZWQCW-UHFFFAOYSA-N -1 0 406.504 3.761 50 0 HHAARM COC(=O)c1cccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000064757621 569091087 /nfs/dbraw/zinc/09/10/87/569091087.db2.gz FXRVNHFZKFNAGD-UHFFFAOYSA-N -1 0 401.419 3.552 50 0 HHAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104921 569092811 /nfs/dbraw/zinc/09/28/11/569092811.db2.gz KALRWPZHUQLMMW-HBUWYVDXSA-N -1 0 400.548 3.820 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)[n-]c1=O ZINC000064774700 569093354 /nfs/dbraw/zinc/09/33/54/569093354.db2.gz QLWBVYWYRDRSBP-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)C1 ZINC000064820381 569102532 /nfs/dbraw/zinc/10/25/32/569102532.db2.gz NVCFPZBEZLZUSX-MRXNPFEDSA-N -1 0 414.433 3.556 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820507 569102707 /nfs/dbraw/zinc/10/27/07/569102707.db2.gz WFBDEGSCLFAYAR-UHFFFAOYSA-N -1 0 420.513 3.975 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc1 ZINC000064845092 569107949 /nfs/dbraw/zinc/10/79/49/569107949.db2.gz SHURQUMXJOPJPL-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM Cc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 ZINC000006778417 569118805 /nfs/dbraw/zinc/11/88/05/569118805.db2.gz MBPORUAFEJXKAQ-UHFFFAOYSA-N -1 0 408.892 3.553 50 0 HHAARM O=C(Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)s1)N1CCCC1 ZINC000064919670 569120979 /nfs/dbraw/zinc/12/09/79/569120979.db2.gz RASAAYCZPMZJPK-UHFFFAOYSA-N -1 0 402.900 3.506 50 0 HHAARM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)c(OC)c1 ZINC000065031193 569157372 /nfs/dbraw/zinc/15/73/72/569157372.db2.gz MYFCHCMRIGGXFI-UHFFFAOYSA-N -1 0 400.865 3.875 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006935280 569186116 /nfs/dbraw/zinc/18/61/16/569186116.db2.gz MLNKILJMEGYMMZ-OAHLLOKOSA-N -1 0 414.527 3.882 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C(C)C)nn32)cc(OC)c1 ZINC000065184038 569191110 /nfs/dbraw/zinc/19/11/10/569191110.db2.gz LYENQUISANVUKP-UHFFFAOYSA-N -1 0 424.548 3.856 50 0 HHAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2C)s1 ZINC000065183719 569191125 /nfs/dbraw/zinc/19/11/25/569191125.db2.gz LXUSDBSPBQGVCY-UHFFFAOYSA-N -1 0 415.338 3.533 50 0 HHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)c(-c2nnc(C3CC3)o2)n(C)c1C ZINC000065186545 569192242 /nfs/dbraw/zinc/19/22/42/569192242.db2.gz BNXFCGPHQODCIU-UHFFFAOYSA-N -1 0 400.504 3.933 50 0 HHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)o1 ZINC000065194104 569192678 /nfs/dbraw/zinc/19/26/78/569192678.db2.gz AFSGKNSHSHJOOZ-UHFFFAOYSA-N -1 0 414.409 3.820 50 0 HHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)c1 ZINC000065196278 569194618 /nfs/dbraw/zinc/19/46/18/569194618.db2.gz JFJMIXLSIBUPKQ-UHFFFAOYSA-N -1 0 404.557 3.851 50 0 HHAARM Cc1c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nnn1Cc1ccccc1F ZINC000170617450 569248023 /nfs/dbraw/zinc/24/80/23/569248023.db2.gz UHKRBLRYWPAKLJ-UHFFFAOYSA-N -1 0 414.384 3.594 50 0 HHAARM CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000007551114 569249112 /nfs/dbraw/zinc/24/91/12/569249112.db2.gz MHCLVSGNKVIYHQ-INIZCTEOSA-N -1 0 415.273 3.762 50 0 HHAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1 ZINC000170624669 569249489 /nfs/dbraw/zinc/24/94/89/569249489.db2.gz GREVIGVBPSVSHK-CYBMUJFWSA-N -1 0 406.438 3.643 50 0 HHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1)NCc1cccs1 ZINC000013850323 569258045 /nfs/dbraw/zinc/25/80/45/569258045.db2.gz HJYXOYHNAIOOQY-UHFFFAOYSA-N -1 0 404.488 3.547 50 0 HHAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002117970 569284852 /nfs/dbraw/zinc/28/48/52/569284852.db2.gz MTLAOAVYJNFNGA-KRWDZBQOSA-N -1 0 413.470 3.975 50 0 biogenic HHAARM CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000002139065 569287563 /nfs/dbraw/zinc/28/75/63/569287563.db2.gz HVFXWBGSLISKKU-DOQJBMMISA-N -1 0 423.465 3.843 50 0 biogenic HHAARM Cc1coc2cc3oc(=O)c(CC(=O)NCC4CCC(C(=O)[O-])CC4)c(C)c3cc12 ZINC000002154973 569290282 /nfs/dbraw/zinc/29/02/82/569290282.db2.gz BYSXGMOTKBJMMU-UHFFFAOYSA-N -1 0 411.454 3.706 50 0 biogenic HHAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000007728461 569303627 /nfs/dbraw/zinc/30/36/27/569303627.db2.gz RJKRLZZFLMMFRH-WMZOPIPTSA-N -1 0 416.543 3.910 50 0 HHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1 ZINC000003656741 569321291 /nfs/dbraw/zinc/32/12/91/569321291.db2.gz YWOUDFIQSSCSQI-UHFFFAOYSA-N -1 0 401.421 3.507 50 0 HHAARM COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2F)cc1OC ZINC000027531261 569366712 /nfs/dbraw/zinc/36/67/12/569366712.db2.gz NZQRCPJSUJIPOR-UHFFFAOYSA-N -1 0 419.412 3.604 50 0 HHAARM COc1cccc([C@H]2CC(c3cccc(Cl)c3)=NN2C(=O)CCC(=O)[O-])c1OC ZINC000253432590 569369930 /nfs/dbraw/zinc/36/99/30/569369930.db2.gz LNLZTUZBDVYEFP-QGZVFWFLSA-N -1 0 416.861 3.900 50 0 HHAARM COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000002396918 569394441 /nfs/dbraw/zinc/39/44/41/569394441.db2.gz IQCWNKSLDUSIFD-RCEBRVLHSA-N -1 0 415.423 3.551 50 0 HHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2)no1 ZINC000013346278 569410673 /nfs/dbraw/zinc/41/06/73/569410673.db2.gz YXGCEGTUGVUPCV-UHFFFAOYSA-N -1 0 405.379 3.806 50 0 HHAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000013358265 569411692 /nfs/dbraw/zinc/41/16/92/569411692.db2.gz CRQZXPRYRDUZGZ-UHFFFAOYSA-N -1 0 417.512 3.886 50 0 HHAARM COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)s2)cc1OC ZINC000238900791 571046581 /nfs/dbraw/zinc/04/65/81/571046581.db2.gz JZSVMJSUWSRULU-HDJSIYSDSA-N -1 0 418.515 3.757 50 0 HHAARM CCCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC000008772613 571117555 /nfs/dbraw/zinc/11/75/55/571117555.db2.gz YFRLIIHJFQRWNL-UHFFFAOYSA-N -1 0 419.499 3.576 50 0 HHAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000008814878 571120925 /nfs/dbraw/zinc/12/09/25/571120925.db2.gz ACJMSTQVVQYGQW-YKSBVNFPSA-N -1 0 403.482 3.570 50 0 HHAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000008974866 571197836 /nfs/dbraw/zinc/19/78/36/571197836.db2.gz 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C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c1=O ZINC000005892527 960799538 /nfs/dbraw/zinc/79/95/38/960799538.db2.gz VMCIIECSUGDYFM-UHFFFAOYSA-N -1 0 406.438 3.712 50 0 HHAARM O=C([O-])CCCCCN1C(=O)/C(=C/C=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000199817952 970004566 /nfs/dbraw/zinc/00/45/66/970004566.db2.gz SLBYDASGFWZCFY-AFEMUGOASA-N -1 0 406.485 3.997 50 0 HHAARM [O-]c1c(Br)cc(Br)cc1CN=Nc1ccc(Cl)nn1 ZINC000254741419 970577782 /nfs/dbraw/zinc/57/77/82/970577782.db2.gz QWLHVUDCVJRNSA-UHFFFAOYSA-N -1 0 406.465 3.807 50 0 HHAARM Cc1ccc(Cl)cc1N1CCN([C@H](CC(=O)[O-])C(=O)c2ccc(F)cc2)CC1 ZINC000003324919 132264607 /nfs/dbraw/zinc/26/46/07/132264607.db2.gz ZLJOCBUAPFWSHJ-LJQANCHMSA-N -1 0 404.869 3.636 50 0 HHAARM COC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccccc1Cl ZINC000012851902 132367665 /nfs/dbraw/zinc/36/76/65/132367665.db2.gz PYAGPFKEPVVDOE-QGZVFWFLSA-N -1 0 400.818 3.756 50 0 HHAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)C(C)C)c(C(=O)[O-])c3)CC2)cc1 ZINC000045967682 518352102 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557137338 /nfs/dbraw/zinc/13/73/38/557137338.db2.gz VLJITGIQYXRWSR-UHFFFAOYSA-N -1 0 422.528 3.563 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)cc1C ZINC000001064757 557165697 /nfs/dbraw/zinc/16/56/97/557165697.db2.gz LRONEILQAXZFKG-KRWDZBQOSA-N -1 0 422.934 3.666 50 0 HHAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ccc2ccccc2c1 ZINC000001072032 557169981 /nfs/dbraw/zinc/16/99/81/557169981.db2.gz AXKJASDHGOGLLB-UHFFFAOYSA-N -1 0 403.463 3.822 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc2ccccc21 ZINC000001114991 557186297 /nfs/dbraw/zinc/18/62/97/557186297.db2.gz WUTGPSRADSCDFC-UHFFFAOYSA-N -1 0 404.451 3.683 50 0 HHAARM Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c(Br)c1 ZINC000001155713 557213734 /nfs/dbraw/zinc/21/37/34/557213734.db2.gz JLTYRNUNNMLZEL-HNNXBMFYSA-N -1 0 420.284 3.880 50 0 HHAARM Cc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)c1 ZINC000001176325 557227823 /nfs/dbraw/zinc/22/78/23/557227823.db2.gz WUFHKKPUCQQYHD-UHFFFAOYSA-N -1 0 404.422 3.963 50 0 HHAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccc(C)cc1)C(F)(F)F ZINC000002050309 557300629 /nfs/dbraw/zinc/30/06/29/557300629.db2.gz HXMLKZZERUWFBL-GOSISDBHSA-N -1 0 423.416 3.878 50 0 HHAARM CCOc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)ccc1OCC(=O)[O-] ZINC000002113443 557315179 /nfs/dbraw/zinc/31/51/79/557315179.db2.gz UZWOWTHXSCOLBT-AUWJEWJLSA-N -1 0 418.243 3.804 50 0 HHAARM O=S(=O)([N-]c1nccs1)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000002133826 557316939 /nfs/dbraw/zinc/31/69/39/557316939.db2.gz WIWYOTOFFSELEA-UHFFFAOYSA-N -1 0 408.505 3.892 50 0 HHAARM CCCOc1ccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)cc1 ZINC000034763788 557461138 /nfs/dbraw/zinc/46/11/38/557461138.db2.gz FEWLEAOSIORXSA-MRXNPFEDSA-N -1 0 406.486 3.843 50 0 HHAARM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004411694 557552731 /nfs/dbraw/zinc/55/27/31/557552731.db2.gz ZVDIEVXFWAWPDC-CQSZACIVSA-N -1 0 417.512 3.658 50 0 HHAARM CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)[O-] ZINC000004521240 557563073 /nfs/dbraw/zinc/56/30/73/557563073.db2.gz ATUMDPHEFWGCJF-OAHLLOKOSA-N -1 0 414.886 3.714 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2OC)cc1 ZINC000004660788 557577668 /nfs/dbraw/zinc/57/76/68/557577668.db2.gz LJQWUXBYJGSGPP-UHFFFAOYSA-N -1 0 404.271 3.980 50 0 HHAARM CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000004742249 557591162 /nfs/dbraw/zinc/59/11/62/557591162.db2.gz OFZDBNJFOPNPTC-IBGZPJMESA-N -1 0 422.572 3.582 50 0 HHAARM CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004970371 557618470 /nfs/dbraw/zinc/61/84/70/557618470.db2.gz KGDGSPSPOAXYNL-UHFFFAOYSA-N -1 0 417.512 3.985 50 0 HHAARM COc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005068481 557633863 /nfs/dbraw/zinc/63/38/63/557633863.db2.gz RDSSGXZIYOKKPD-UHFFFAOYSA-N -1 0 410.495 3.734 50 0 HHAARM Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)N(C)C1=S ZINC000022653614 557646734 /nfs/dbraw/zinc/64/67/34/557646734.db2.gz TXHNCGZJJGBXBI-LICLKQGHSA-N -1 0 416.886 3.716 50 0 HHAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000006243953 557695883 /nfs/dbraw/zinc/69/58/83/557695883.db2.gz JWTHPLAAUAYREK-UHFFFAOYSA-N -1 0 417.314 3.943 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1Br ZINC000002737526 557751721 /nfs/dbraw/zinc/75/17/21/557751721.db2.gz VWEPJPPWHHQBQJ-VHSXEESVSA-N -1 0 403.070 3.817 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002760362 557758441 /nfs/dbraw/zinc/75/84/41/557758441.db2.gz BSPMLFLFBDUHPG-ZIAGYGMSSA-N -1 0 400.456 3.592 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002765922 557759973 /nfs/dbraw/zinc/75/99/73/557759973.db2.gz RJTBEHDMKQEGKJ-NHCUHLMSSA-N -1 0 401.466 3.823 50 0 HHAARM CCCCC(=O)N[C@@]([N-]c1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F ZINC000009012546 557819013 /nfs/dbraw/zinc/81/90/13/557819013.db2.gz MLLWGBQNDAHYFA-MRXNPFEDSA-N -1 0 403.426 3.836 50 0 HHAARM CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854296 557840339 /nfs/dbraw/zinc/84/03/39/557840339.db2.gz VZRJYVKCLZGNOA-CQSZACIVSA-N -1 0 413.330 3.787 50 0 HHAARM CCc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854489 557842092 /nfs/dbraw/zinc/84/20/92/557842092.db2.gz IONXQRPKLCTULL-FQEVSTJZSA-N -1 0 419.554 3.970 50 0 HHAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1cccc2ccccc21 ZINC000010059432 557854729 /nfs/dbraw/zinc/85/47/29/557854729.db2.gz WSYMXDKHGQNWSB-UHFFFAOYSA-N -1 0 417.490 3.950 50 0 HHAARM CCCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Br ZINC000011613993 558264619 /nfs/dbraw/zinc/26/46/19/558264619.db2.gz RZBXMJXXPGMELE-UHFFFAOYSA-N -1 0 414.277 3.737 50 0 HHAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(CCCc2ccccc2)C1=O ZINC000004346489 558427602 /nfs/dbraw/zinc/42/76/02/558427602.db2.gz MQUZAMBBRDSVLV-PGMHBOJBSA-N -1 0 416.481 3.666 50 0 HHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000010720921 558427784 /nfs/dbraw/zinc/42/77/84/558427784.db2.gz BYEDNUHVNQOUMI-UHFFFAOYSA-N -1 0 403.463 3.881 50 0 HHAARM COc1cc(/C=C/C(=O)[O-])cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000022077343 558462752 /nfs/dbraw/zinc/46/27/52/558462752.db2.gz RZQIHLUEOSUCKS-VMPITWQZSA-N -1 0 420.259 3.881 50 0 HHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000013235094 558527654 /nfs/dbraw/zinc/52/76/54/558527654.db2.gz CTGICVWJRUYMID-KRWDZBQOSA-N -1 0 406.269 3.970 50 0 HHAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)Nc3nnn[n-]3)c(=O)oc12 ZINC000013625235 558551057 /nfs/dbraw/zinc/55/10/57/558551057.db2.gz DMNRLBWTWYEBGO-UHFFFAOYSA-N -1 0 415.409 3.517 50 0 HHAARM CCOc1ccc(COc2cccc([C@H]3N[C@@H](C(=O)[O-])CS3)c2)cc1OCC ZINC000013961499 558609322 /nfs/dbraw/zinc/60/93/22/558609322.db2.gz XRVAGDXCLQTBOR-XLIONFOSSA-N -1 0 403.500 3.851 50 0 HHAARM Cc1cc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)ccc1Cl ZINC000004546549 558672232 /nfs/dbraw/zinc/67/22/32/558672232.db2.gz XWFREYJZZZQSLL-UHFFFAOYSA-N -1 0 413.282 3.892 50 0 HHAARM COCc1cc(C)nc2sc3c(c21)N[C@@H](c1c2ccccc2[nH]c1C(=O)[O-])NC3=O ZINC000015107962 558723523 /nfs/dbraw/zinc/72/35/23/558723523.db2.gz GXZRBYQHQHOPHK-GOSISDBHSA-N -1 0 422.466 3.785 50 0 HHAARM COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000004570380 558735282 /nfs/dbraw/zinc/73/52/82/558735282.db2.gz OTCCCUZGVIZLFG-HNNXBMFYSA-N -1 0 402.472 3.698 50 0 HHAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000030822670 558739101 /nfs/dbraw/zinc/73/91/01/558739101.db2.gz USGCXHFGSJOWIS-UYAOXDASSA-N -1 0 403.862 3.540 50 0 HHAARM CCOC(=O)[C@@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103595 558750021 /nfs/dbraw/zinc/75/00/21/558750021.db2.gz YWJSOECTGNJITK-OAHLLOKOSA-N -1 0 424.297 3.962 50 0 HHAARM CCCn1nc([N-]S(=O)(=O)c2cccc3nonc32)c2cc3cc(C)ccc3nc21 ZINC000016994955 558811331 /nfs/dbraw/zinc/81/13/31/558811331.db2.gz HKFHSDYDKGJROH-UHFFFAOYSA-N -1 0 422.470 3.640 50 0 HHAARM CC[C@@H](C(=O)Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21)c1ccccc1 ZINC000017015478 558811868 /nfs/dbraw/zinc/81/18/68/558811868.db2.gz CALYWOYBMROUOV-QGZVFWFLSA-N -1 0 403.442 3.541 50 0 HHAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081938 558813774 /nfs/dbraw/zinc/81/37/74/558813774.db2.gz QCQKJJPWRYUPBD-GJZGRUSLSA-N -1 0 400.500 3.960 50 0 HHAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017081945 558813969 /nfs/dbraw/zinc/81/39/69/558813969.db2.gz NAZTUURKUFLERC-UHFFFAOYSA-N -1 0 400.500 3.750 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082489 558814606 /nfs/dbraw/zinc/81/46/06/558814606.db2.gz UDLVDBPNXKKGGT-KGLIPLIRSA-N -1 0 402.516 3.515 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017090662 558819290 /nfs/dbraw/zinc/81/92/90/558819290.db2.gz CNLJWVUAPAOLKN-CYBMUJFWSA-N -1 0 416.499 3.555 50 0 HHAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017090757 558819474 /nfs/dbraw/zinc/81/94/74/558819474.db2.gz ODVHRKNQCBTSEO-SEDVZULUSA-N -1 0 416.543 3.595 50 0 HHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)c(C(=O)[O-])c1 ZINC000033007388 558827485 /nfs/dbraw/zinc/82/74/85/558827485.db2.gz YAAVXQIHGXEAHC-UHFFFAOYSA-N -1 0 406.504 3.821 50 0 HHAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000013526289 558836113 /nfs/dbraw/zinc/83/61/13/558836113.db2.gz RHCPKKNRWFXMAT-WIWNLSKOSA-N -1 0 406.563 3.657 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1C(F)(F)F ZINC000060360551 558871747 /nfs/dbraw/zinc/87/17/47/558871747.db2.gz GBPIUNYQZNNTHT-UHFFFAOYSA-N -1 0 417.405 3.895 50 0 HHAARM COc1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)c1OC ZINC000071748674 558908645 /nfs/dbraw/zinc/90/86/45/558908645.db2.gz QVZPYJSTBPKZAX-UHFFFAOYSA-N -1 0 419.499 3.634 50 0 HHAARM CCOc1ccc(-c2ccnc(N3CCN(c4ccccc4)CC3)n2)cc1C(=O)[O-] ZINC000071758868 558909892 /nfs/dbraw/zinc/90/98/92/558909892.db2.gz IYBULGVLTVMMDP-UHFFFAOYSA-N -1 0 404.470 3.567 50 0 HHAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@H](C)C1 ZINC000033253967 558922192 /nfs/dbraw/zinc/92/21/92/558922192.db2.gz OFHOWPQRKYDIMS-ZDUSSCGKSA-N -1 0 406.479 3.869 50 0 HHAARM O=C([O-])c1n[nH]cc1CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067817889 558993363 /nfs/dbraw/zinc/99/33/63/558993363.db2.gz CMXFFCZLPVLEBL-UHFFFAOYSA-N -1 0 400.438 3.988 50 0 HHAARM CC(C)Oc1cccc2c1c([N-]S(=O)(=O)c1cccnc1)nn2CC(F)(F)F ZINC000077425633 559004723 /nfs/dbraw/zinc/00/47/23/559004723.db2.gz FBQZEYLXQNTHJP-UHFFFAOYSA-N -1 0 414.409 3.582 50 0 HHAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023157521 559022465 /nfs/dbraw/zinc/02/24/65/559022465.db2.gz CXOYJHOTNBNZIK-IBGZPJMESA-N -1 0 423.517 3.856 50 0 HHAARM CCOC(=O)c1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCC4)c1 ZINC000033308681 559052806 /nfs/dbraw/zinc/05/28/06/559052806.db2.gz NUIHYBNOKXSXNB-UHFFFAOYSA-N -1 0 412.467 3.603 50 0 HHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O ZINC000100134605 559130264 /nfs/dbraw/zinc/13/02/64/559130264.db2.gz NXEHVCLUAICJTR-HNNXBMFYSA-N -1 0 418.478 3.852 50 0 HHAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000014250686 559162286 /nfs/dbraw/zinc/16/22/86/559162286.db2.gz MRSKWIMSXBIDNG-UHFFFAOYSA-N -1 0 404.923 3.979 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)cc1 ZINC000011693258 559187522 /nfs/dbraw/zinc/18/75/22/559187522.db2.gz CCNJWBWVKSACJM-UHFFFAOYSA-N -1 0 421.475 3.652 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cc(F)ccc1F ZINC000005144783 559252388 /nfs/dbraw/zinc/25/23/88/559252388.db2.gz IGSHXDWYVNUWGF-UHFFFAOYSA-N -1 0 416.453 3.823 50 0 HHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C)C(=O)[O-])occ3-c1ccc(F)cc1 ZINC000011865664 559263885 /nfs/dbraw/zinc/26/38/85/559263885.db2.gz FCTJDJDDKSDNGA-GFCCVEGCSA-N -1 0 423.396 3.786 50 0 HHAARM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2c(F)cccc2F)c1 ZINC000005200628 560537663 /nfs/dbraw/zinc/53/76/63/560537663.db2.gz GLHIBVOLXVQAEN-UHFFFAOYSA-N -1 0 407.376 3.734 50 0 HHAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000001159363 560727426 /nfs/dbraw/zinc/72/74/26/560727426.db2.gz CVBRHZUQUSBQEA-UHFFFAOYSA-N -1 0 423.288 3.591 50 0 HHAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc(=O)c(-c4cccs4)nn32)cc1 ZINC000101167922 560787430 /nfs/dbraw/zinc/78/74/30/560787430.db2.gz AMBPOQHEVYMXIU-GOSISDBHSA-N -1 0 402.435 3.704 50 0 HHAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101417825 560794781 /nfs/dbraw/zinc/79/47/81/560794781.db2.gz SLMWVSVUBSLSDP-IRXDYDNUSA-N -1 0 418.375 3.598 50 0 HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101418389 560794843 /nfs/dbraw/zinc/79/48/43/560794843.db2.gz NMURZSRHNBTVLE-DLBZAZTESA-N -1 0 402.376 3.761 50 0 HHAARM O=C(NCc1ccccc1Cl)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101722964 560799018 /nfs/dbraw/zinc/79/90/18/560799018.db2.gz HJLLVXVYESIWGG-UHFFFAOYSA-N -1 0 423.831 3.814 50 0 HHAARM O=C(Nc1cc(F)cc(F)c1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723078 560799173 /nfs/dbraw/zinc/79/91/73/560799173.db2.gz KUBDCEHSRIFRKG-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3cc(F)ccc3C)c([O-])c3cccnc32)cc1 ZINC000101723369 560799228 /nfs/dbraw/zinc/79/92/28/560799228.db2.gz YBZANZPVSGDJLO-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM CCOc1ccccc1NCc1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000101803155 560802267 /nfs/dbraw/zinc/80/22/67/560802267.db2.gz MGIMWIRFDWDTKH-UHFFFAOYSA-N -1 0 423.904 3.981 50 0 HHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2F)cc1 ZINC000101835851 560803458 /nfs/dbraw/zinc/80/34/58/560803458.db2.gz LRPPXQKVDKANRE-SFHVURJKSA-N -1 0 410.380 3.705 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(F)cc1F ZINC000102810972 560829358 /nfs/dbraw/zinc/82/93/58/560829358.db2.gz YPLKRLBMLGMMEL-IBGZPJMESA-N -1 0 424.407 3.959 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2ccc(F)cc2)C1 ZINC000102820646 560829575 /nfs/dbraw/zinc/82/95/75/560829575.db2.gz AAJGYRXNRAJQEI-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM O=C(Nc1nnc(C(F)F)s1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000048365131 568441720 /nfs/dbraw/zinc/44/17/20/568441720.db2.gz QZQVSJQIMXAFQF-UHFFFAOYSA-N -1 0 416.456 3.590 50 0 HHAARM COc1ccccc1CNC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409614 568449711 /nfs/dbraw/zinc/44/97/11/568449711.db2.gz SAYXFTLOZZEMDK-UHFFFAOYSA-N -1 0 420.490 3.756 50 0 HHAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccccc2OC)CC(=O)N3)c1 ZINC000049543369 568451106 /nfs/dbraw/zinc/45/11/06/568451106.db2.gz BUNWJASJYIEWHO-OAHLLOKOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)[O-])cc1OC ZINC000006800746 568459692 /nfs/dbraw/zinc/45/96/92/568459692.db2.gz CYRFBJVYKIOCNO-UHFFFAOYSA-N -1 0 406.243 3.510 50 0 HHAARM O=C(c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O)N1CCCC1 ZINC000216167831 568463570 /nfs/dbraw/zinc/46/35/70/568463570.db2.gz SAFRITOMXTXJEN-UHFFFAOYSA-N -1 0 405.298 3.711 50 0 HHAARM CCOc1cc(C(=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000220972973 568509359 /nfs/dbraw/zinc/50/93/59/568509359.db2.gz MVEIENLUVPTKKW-UHFFFAOYSA-N -1 0 415.261 3.622 50 0 HHAARM CC(C)c1c([O-])nc(SCC(=O)N2CCc3ccccc32)n(-c2ccccc2)c1=O ZINC000020807582 568644030 /nfs/dbraw/zinc/64/40/30/568644030.db2.gz GPTZLQSYOYYQRC-UHFFFAOYSA-N -1 0 421.522 3.743 50 0 HHAARM CCc1ccc([C@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000225849666 568680605 /nfs/dbraw/zinc/68/06/05/568680605.db2.gz FFMJKNNWFBBIDB-HXUWFJFHSA-N -1 0 410.470 3.809 50 0 HHAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1I)Cc1ccccc1 ZINC000000864890 568722135 /nfs/dbraw/zinc/72/21/35/568722135.db2.gz HRSWXMXSLMSTKM-ZDUSSCGKSA-N -1 0 409.223 3.563 50 0 HHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc1 ZINC000096323573 568732162 /nfs/dbraw/zinc/73/21/62/568732162.db2.gz DSJQTQLEPSKNDN-UHFFFAOYSA-N -1 0 406.485 3.916 50 0 HHAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)[C@H](C(=O)[O-])C1 ZINC000000915935 568750399 /nfs/dbraw/zinc/75/03/99/568750399.db2.gz LVFLAQWNCZHCGE-WOJBJXKFSA-N -1 0 418.449 3.873 50 0 HHAARM CCc1nc2sc([C@@H](c3ccco3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022578332 568770400 /nfs/dbraw/zinc/77/04/00/568770400.db2.gz YLWZRBYZAKCMCP-LJQANCHMSA-N -1 0 423.542 3.559 50 0 HHAARM Cc1cccc(OCc2ccc(C(=O)[N-]n3c(=O)c4ccccc4[nH]c3=S)o2)c1 ZINC000002793124 568810369 /nfs/dbraw/zinc/81/03/69/568810369.db2.gz YPFFGHRVUIILMT-UHFFFAOYSA-N -1 0 407.451 3.550 50 0 HHAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3OC(F)(F)C(F)F)ccc2N1 ZINC000226795237 568823951 /nfs/dbraw/zinc/82/39/51/568823951.db2.gz YGEUDTOCJXNNIH-UHFFFAOYSA-N -1 0 418.368 3.609 50 0 HHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(Br)c1)O[C@@H](C)C2 ZINC000012560677 568858168 /nfs/dbraw/zinc/85/81/68/568858168.db2.gz HKFPGRNVNBMECG-NSHDSACASA-N -1 0 412.305 3.972 50 0 HHAARM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1cc2c(nc3ccccn3c2=O)s1 ZINC000012600308 568869877 /nfs/dbraw/zinc/86/98/77/568869877.db2.gz RFRCTJKBYYZMQZ-UHFFFAOYSA-N -1 0 411.311 3.857 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)NCc2ccncc2)cc1 ZINC000012606128 568871109 /nfs/dbraw/zinc/87/11/09/568871109.db2.gz LBFWGWGJJKZLCM-UHFFFAOYSA-N -1 0 415.902 3.774 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000003446373 568904713 /nfs/dbraw/zinc/90/47/13/568904713.db2.gz OBASSSQRKSVRCW-UHFFFAOYSA-N -1 0 414.458 3.565 50 0 HHAARM C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000001271101 568909755 /nfs/dbraw/zinc/90/97/55/568909755.db2.gz BMGPUVPHABQBAF-KRWDZBQOSA-N -1 0 409.467 3.531 50 0 HHAARM O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000003631952 568921292 /nfs/dbraw/zinc/92/12/92/568921292.db2.gz FJNAVENYDSQPHM-SFHVURJKSA-N -1 0 421.522 3.979 50 0 HHAARM O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000003631949 568921359 /nfs/dbraw/zinc/92/13/59/568921359.db2.gz FJNAVENYDSQPHM-GOSISDBHSA-N -1 0 421.522 3.979 50 0 HHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000012744763 568930790 /nfs/dbraw/zinc/93/07/90/568930790.db2.gz FBUVGEVIDCZKFD-UHFFFAOYSA-N -1 0 423.466 3.636 50 0 HHAARM Cc1nc2sc([C@H](c3cccs3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000004061216 568937173 /nfs/dbraw/zinc/93/71/73/568937173.db2.gz FHXZYRJLEANPQB-KRWDZBQOSA-N -1 0 411.556 3.778 50 0 HHAARM O=S(=O)([N-]c1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000084343827 568946909 /nfs/dbraw/zinc/94/69/09/568946909.db2.gz CCKJVPHLASUXQC-CQSZACIVSA-N -1 0 403.834 3.977 50 0 HHAARM CN1C(=O)N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162543 568947514 /nfs/dbraw/zinc/94/75/14/568947514.db2.gz OUQNHAQKSAJYBY-IOASZLSFSA-N -1 0 418.824 3.848 50 0 HHAARM CN1C(=O)N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162484 568947563 /nfs/dbraw/zinc/94/75/63/568947563.db2.gz HKYOQLBETOAUGB-ZENOOKHLSA-N -1 0 418.824 3.848 50 0 HHAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])c(OC)c1 ZINC000004194589 568951127 /nfs/dbraw/zinc/95/11/27/568951127.db2.gz NWYYVJCCHGRTBL-HXUWFJFHSA-N -1 0 410.470 3.945 50 0 HHAARM Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1Cl ZINC000004317394 568962698 /nfs/dbraw/zinc/96/26/98/568962698.db2.gz TWAYOUIQFNQYEJ-UHFFFAOYSA-N -1 0 400.891 3.861 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CC2)ccc1Cl ZINC000008183765 568980026 /nfs/dbraw/zinc/98/00/26/568980026.db2.gz ZXXQJRQAIUJWEN-LBPRGKRZSA-N -1 0 408.907 3.678 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015730781 568981347 /nfs/dbraw/zinc/98/13/47/568981347.db2.gz ZMRCTEGKBXHMDT-SNVBAGLBSA-N -1 0 412.920 3.830 50 0 HHAARM COC(=O)c1c(SCC(=O)Nc2ccc(C)c(C)c2)[n-]c2ccc(C)cc2c1=O ZINC000015731502 568982070 /nfs/dbraw/zinc/98/20/70/568982070.db2.gz IPMYGLFPDQXQDI-UHFFFAOYSA-N -1 0 410.495 3.971 50 0 HHAARM COc1ccc(O)c(C(=O)c2cc([S-])c3nc4sc(C)c(C)c4c(=O)n3c2)c1 ZINC000006084315 568996962 /nfs/dbraw/zinc/99/69/62/568996962.db2.gz CNQWQSKDNFEPPO-UHFFFAOYSA-N -1 0 412.492 3.760 50 0 HHAARM CCCc1c(OC[C@@H](O)CSc2cccc(C(=O)[O-])c2)ccc(C(C)=O)c1O ZINC000038990487 569012910 /nfs/dbraw/zinc/01/29/10/569012910.db2.gz FWTHFQBEDBSWPB-OAHLLOKOSA-N -1 0 404.484 3.778 50 0 HHAARM COc1cc(NC(=O)C2CCC2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862140 569015798 /nfs/dbraw/zinc/01/57/98/569015798.db2.gz MYAZRZXEEPRACK-UHFFFAOYSA-N -1 0 417.512 3.844 50 0 HHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000015864533 569016663 /nfs/dbraw/zinc/01/66/63/569016663.db2.gz GOXOOVGOHYHRSM-UHFFFAOYSA-N -1 0 401.387 3.906 50 0 HHAARM Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000090594483 569041651 /nfs/dbraw/zinc/04/16/51/569041651.db2.gz KSNVZNZCJFEDII-INIZCTEOSA-N -1 0 424.844 3.732 50 0 HHAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737557 569041661 /nfs/dbraw/zinc/04/16/61/569041661.db2.gz YOAMVHBNCKAYMT-AUUYWEPGSA-N -1 0 409.438 3.597 50 0 biogenic HHAARM Cc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2C)cc1C ZINC000001829433 569056287 /nfs/dbraw/zinc/05/62/87/569056287.db2.gz TXLADILENRKEAD-QGZVFWFLSA-N -1 0 411.483 3.592 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1OCC ZINC000006549696 569064879 /nfs/dbraw/zinc/06/48/79/569064879.db2.gz LLQKAFQBRFXDPB-UHFFFAOYSA-N -1 0 418.515 3.521 50 0 HHAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)C[C@@H](C)O1 ZINC000016689775 569070547 /nfs/dbraw/zinc/07/05/47/569070547.db2.gz QQQJVYRIRIPWQN-CKEIUWERSA-N -1 0 410.499 3.955 50 0 HHAARM CCSc1ncc(Br)c(C(=O)[N-]c2nonc2-c2ccccc2)n1 ZINC000006662374 569085441 /nfs/dbraw/zinc/08/54/41/569085441.db2.gz WUNJTGVKZZKHAO-UHFFFAOYSA-N -1 0 406.265 3.653 50 0 HHAARM COc1cc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)cc(OC)c1 ZINC000064757603 569091073 /nfs/dbraw/zinc/09/10/73/569091073.db2.gz PRVLXTDSMBDVBJ-UHFFFAOYSA-N -1 0 403.435 3.782 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064843422 569106812 /nfs/dbraw/zinc/10/68/12/569106812.db2.gz ZWBJOBLUZOYNQI-UHFFFAOYSA-N -1 0 417.531 3.968 50 0 HHAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000036352800 569147417 /nfs/dbraw/zinc/14/74/17/569147417.db2.gz ZALKRDBBXDBIAL-HSZRJFAPSA-N -1 0 406.482 3.806 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)c1 ZINC000065060199 569163978 /nfs/dbraw/zinc/16/39/78/569163978.db2.gz ZJBPQYVOFOEKRA-UHFFFAOYSA-N -1 0 420.512 3.945 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)c(C)n2C)o1 ZINC000065186520 569192103 /nfs/dbraw/zinc/19/21/03/569192103.db2.gz JAUYMCFVLWNVRG-UHFFFAOYSA-N -1 0 424.910 3.717 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C)n1C ZINC000065194175 569192620 /nfs/dbraw/zinc/19/26/20/569192620.db2.gz AMSSXWQTLZBOCA-UHFFFAOYSA-N -1 0 408.430 3.648 50 0 HHAARM COC(=O)c1c(SCC(=O)Nc2c(C)cc(C)cc2C)[n-]c2ccccc2c1=O ZINC000006974085 569193016 /nfs/dbraw/zinc/19/30/16/569193016.db2.gz CLUFNVUBYLMRAO-UHFFFAOYSA-N -1 0 410.495 3.971 50 0 HHAARM Cc1cc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)ccc1F ZINC000065250019 569206003 /nfs/dbraw/zinc/20/60/03/569206003.db2.gz CKSCLXWXLKOPRZ-UHFFFAOYSA-N -1 0 412.808 3.773 50 0 HHAARM Cc1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1C ZINC000065250002 569206005 /nfs/dbraw/zinc/20/60/05/569206005.db2.gz BMTLLFPDLBAEHR-UHFFFAOYSA-N -1 0 408.845 3.942 50 0 HHAARM COC(=O)c1ccc(-c2oc3cc(C)oc(=O)c3c2-c2c([O-])cc(C)oc2=O)cc1 ZINC000524731014 569212071 /nfs/dbraw/zinc/21/20/71/569212071.db2.gz GTKBNOJHGUXXTG-UHFFFAOYSA-N -1 0 408.362 3.782 50 0 HHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(Br)cc1 ZINC000036623933 569212675 /nfs/dbraw/zinc/21/26/75/569212675.db2.gz BJTLMAOICKYRIN-DOTOQJQBSA-N -1 0 424.316 3.825 50 0 HHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(Br)cc1 ZINC000036623935 569212766 /nfs/dbraw/zinc/21/27/66/569212766.db2.gz BJTLMAOICKYRIN-RDJZCZTQSA-N -1 0 424.316 3.825 50 0 HHAARM O=C([O-])c1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cnccn32)cc1 ZINC000065322750 569224735 /nfs/dbraw/zinc/22/47/35/569224735.db2.gz UALMPNYHNTWMPK-UHFFFAOYSA-N -1 0 415.453 3.675 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(F)cc3)C2)c1 ZINC000170615614 569247374 /nfs/dbraw/zinc/24/73/74/569247374.db2.gz INQUCXVNZJQNED-FQEVSTJZSA-N -1 0 414.433 3.776 50 0 HHAARM CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000071283040 569251875 /nfs/dbraw/zinc/25/18/75/569251875.db2.gz IEJRQCWCBLSRPZ-OAHLLOKOSA-N -1 0 423.425 3.836 50 0 HHAARM CCOc1ccc(NC(=O)CSc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000013579287 569256475 /nfs/dbraw/zinc/25/64/75/569256475.db2.gz XMEQXRWZNFOIDL-OWBHPGMISA-N -1 0 414.483 3.786 50 0 HHAARM Cc1cccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)c1 ZINC000016848472 569265383 /nfs/dbraw/zinc/26/53/83/569265383.db2.gz ROKDEUBHDRLFDP-UHFFFAOYSA-N -1 0 419.503 3.963 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000089827837 569266624 /nfs/dbraw/zinc/26/66/24/569266624.db2.gz VMLSRYJGIGWFDS-KRWDZBQOSA-N -1 0 401.260 3.992 50 0 HHAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000089845676 569267061 /nfs/dbraw/zinc/26/70/61/569267061.db2.gz KQYIBJXNECNJCZ-UHFFFAOYSA-N -1 0 424.478 3.901 50 0 HHAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C)C(=O)[O-])cc2oc1=O ZINC000017029232 569272108 /nfs/dbraw/zinc/27/21/08/569272108.db2.gz XIYMXSVLSYROPW-HUUCEWRRSA-N -1 0 403.475 3.581 50 0 HHAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])cc2oc1=O ZINC000017029230 569272129 /nfs/dbraw/zinc/27/21/29/569272129.db2.gz XIYMXSVLSYROPW-CABCVRRESA-N -1 0 403.475 3.581 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@@H]2CCCO2)cc1C ZINC000017209623 569276617 /nfs/dbraw/zinc/27/66/17/569276617.db2.gz GBENRUIRBWTFMI-INIZCTEOSA-N -1 0 412.515 3.638 50 0 HHAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc1c2C ZINC000002100422 569281355 /nfs/dbraw/zinc/28/13/55/569281355.db2.gz NSCPCSMEWKVXAJ-FQEVSTJZSA-N -1 0 419.433 3.949 50 0 biogenic HHAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(C)c3cc12 ZINC000002105011 569282253 /nfs/dbraw/zinc/28/22/53/569282253.db2.gz AJUBPVJLWLQJAM-OAQYLSRUSA-N -1 0 405.406 3.641 50 0 biogenic HHAARM CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])c12 ZINC000002113809 569284214 /nfs/dbraw/zinc/28/42/14/569284214.db2.gz COUGUTIFRDIBEM-OAHLLOKOSA-N -1 0 403.475 3.582 50 0 biogenic HHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCCCC(=O)[O-])c(=O)oc12 ZINC000002112529 569284241 /nfs/dbraw/zinc/28/42/41/569284241.db2.gz DCSUCCHMWJMUTF-UHFFFAOYSA-N -1 0 413.470 3.977 50 0 biogenic HHAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000002152628 569290120 /nfs/dbraw/zinc/29/01/20/569290120.db2.gz QZRNFVQHOFVNFB-UHFFFAOYSA-N -1 0 405.406 3.566 50 0 biogenic HHAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002157233 569290388 /nfs/dbraw/zinc/29/03/88/569290388.db2.gz MAZNTMSQDCJWIO-YOEHRIQHSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1)O[C@@H](C)C2 ZINC000017520570 569292509 /nfs/dbraw/zinc/29/25/09/569292509.db2.gz GHMABNGTTSZPJR-NSHDSACASA-N -1 0 412.305 3.972 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)cc1OCC ZINC000007927850 569327463 /nfs/dbraw/zinc/32/74/63/569327463.db2.gz FWJBRHXVWPOOSN-UHFFFAOYSA-N -1 0 415.895 3.955 50 0 HHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000253414784 569366982 /nfs/dbraw/zinc/36/69/82/569366982.db2.gz YPCUHKRTFFNWKI-QGZVFWFLSA-N -1 0 402.402 3.835 50 0 biogenic HHAARM CCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000002335866 569375979 /nfs/dbraw/zinc/37/59/79/569375979.db2.gz FCFWTTXEGMXADH-UHFFFAOYSA-N -1 0 423.498 3.632 50 0 HHAARM CCCNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013349068 569410985 /nfs/dbraw/zinc/41/09/85/569410985.db2.gz DFRYPBXWCHFQRT-UHFFFAOYSA-N -1 0 404.517 3.937 50 0 HHAARM CCOc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000013348719 569411039 /nfs/dbraw/zinc/41/10/39/569411039.db2.gz AWIZKDIBIPALPV-UHFFFAOYSA-N -1 0 406.489 3.711 50 0 HHAARM COc1ccc(C)cc1NC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348816 569411092 /nfs/dbraw/zinc/41/10/92/569411092.db2.gz WHKAFXGRZYYTGQ-UHFFFAOYSA-N -1 0 406.489 3.629 50 0 HHAARM COc1cc(NC(=O)NC(C)C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349532 569411115 /nfs/dbraw/zinc/41/11/15/569411115.db2.gz VLFDBCMFJOOMTJ-UHFFFAOYSA-N -1 0 420.516 3.636 50 0 HHAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1ccc(C)c(Cl)c1 ZINC000008595160 571087485 /nfs/dbraw/zinc/08/74/85/571087485.db2.gz JGLLANICNBBEBK-UHFFFAOYSA-N -1 0 417.856 3.635 50 0 HHAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(C)c(N(C)C)c1 ZINC000008608313 571093089 /nfs/dbraw/zinc/09/30/89/571093089.db2.gz ISSKDSRKMMOVCT-UHFFFAOYSA-N -1 0 401.488 3.834 50 0 HHAARM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc2CCC1=O ZINC000008840757 571123835 /nfs/dbraw/zinc/12/38/35/571123835.db2.gz RVFYQQSCBSOIBS-UHFFFAOYSA-N -1 0 418.515 3.584 50 0 HHAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)OC(C)C)C(F)(F)F ZINC000008974821 571197790 /nfs/dbraw/zinc/19/77/90/571197790.db2.gz FEZKLEQGWRYKGZ-OAHLLOKOSA-N -1 0 405.398 3.665 50 0 HHAARM CCC(Nc1ccc(N(CC)CC)cc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008974797 571197909 /nfs/dbraw/zinc/19/79/09/571197909.db2.gz KQQSNHFGNSIEIW-QZQOTICOSA-N -1 0 420.513 3.887 50 0 HHAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000040267067 571214020 /nfs/dbraw/zinc/21/40/20/571214020.db2.gz UTPRLGRDAYWRCO-UHFFFAOYSA-N -1 0 414.405 3.954 50 0 HHAARM Cc1cccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c12 ZINC000009066495 571218010 /nfs/dbraw/zinc/21/80/10/571218010.db2.gz ZELZARQBBLXMQU-LJQANCHMSA-N -1 0 403.438 3.791 50 0 HHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009170241 571233607 /nfs/dbraw/zinc/23/36/07/571233607.db2.gz SJBBSSAAEDGHAN-UHFFFAOYSA-N -1 0 424.906 3.531 50 0 HHAARM CC(C)Cn1nc([N-]S(=O)(=O)c2cccc3nonc32)c2cc3ccccc3nc21 ZINC000009316081 571247510 /nfs/dbraw/zinc/24/75/10/571247510.db2.gz YWDFTAQGKBGJKC-UHFFFAOYSA-N -1 0 422.470 3.578 50 0 HHAARM CCn1c2nc(SCc3cc(C(=O)OC)ccc3OC)[n-]c(=O)c2sc1=S ZINC000009410408 571255881 /nfs/dbraw/zinc/25/58/81/571255881.db2.gz XBBMZAIUEZLFBP-UHFFFAOYSA-N -1 0 423.541 3.623 50 0 HHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1C(=O)N1CCCC1 ZINC000009684329 571279449 /nfs/dbraw/zinc/27/94/49/571279449.db2.gz GUGNJNRRFWHKMV-UHFFFAOYSA-N -1 0 401.532 3.547 50 0 HHAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCc4ccccc4Cl)c(=O)n1c23 ZINC000006166563 960863303 /nfs/dbraw/zinc/86/33/03/960863303.db2.gz ALYKMLDAGMGSKW-LLVKDONJSA-N -1 0 400.837 3.937 50 0 HHAARM C[C@@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000012603471 962300469 /nfs/dbraw/zinc/30/04/69/962300469.db2.gz XDUHDSPOPXCNQK-JATZPVMKSA-N -1 0 421.425 3.569 50 0 HHAARM CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(CC(=O)[O-])cc3)nc2)C1 ZINC000071735478 968853119 /nfs/dbraw/zinc/85/31/19/968853119.db2.gz FEFWROKYYIBTQW-HXUWFJFHSA-N -1 0 408.498 3.843 50 0 HHAARM Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccccc3C(=O)[O-])cc2)n1 ZINC000254491394 970572710 /nfs/dbraw/zinc/57/27/10/970572710.db2.gz KUQKJXGJWPDAMU-UHFFFAOYSA-N -1 0 420.494 3.848 50 0 HHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000008840543 132333666 /nfs/dbraw/zinc/33/36/66/132333666.db2.gz HQXIGMYXNRSNEH-UHFFFAOYSA-N -1 0 423.332 3.939 50 0 HHAARM Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022609300 132475041 /nfs/dbraw/zinc/47/50/41/132475041.db2.gz CRHRBHJVUCPEGN-IBGZPJMESA-N -1 0 423.517 3.856 50 0 HHAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cccc(F)c4N4CCCC[C@@H]43)C2=O)cc1 ZINC000025185104 132486041 /nfs/dbraw/zinc/48/60/41/132486041.db2.gz JYLLIHUHWDLDPD-JPYJTQIMSA-N -1 0 423.444 3.859 50 0 HHAARM CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000032948415 520495664 /nfs/dbraw/zinc/49/56/64/520495664.db2.gz HJWNZKUBZLNFAU-UHFFFAOYSA-N -1 0 420.585 3.774 50 0 HHAARM CCS(=O)(=O)Nc1ccc(N2CC=C(c3ccccc3C)CC2)c(C(=O)[O-])c1 ZINC000032962270 521685028 /nfs/dbraw/zinc/68/50/28/521685028.db2.gz COAQITKHCHIJRF-UHFFFAOYSA-N -1 0 400.500 3.749 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c(OC)c1 ZINC000045961705 524686728 /nfs/dbraw/zinc/68/67/28/524686728.db2.gz XOURCBNAFKRFGP-UHFFFAOYSA-N -1 0 424.544 3.582 50 0 HHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(Cl)cc21 ZINC000006893149 534802594 /nfs/dbraw/zinc/80/25/94/534802594.db2.gz PZPMWJDKNGOZCO-UHFFFAOYSA-N -1 0 415.298 3.848 50 0 HHAARM Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032100163 525509483 /nfs/dbraw/zinc/50/94/83/525509483.db2.gz XMYKRSIYAXGCOX-MRXNPFEDSA-N -1 0 408.389 3.867 50 0 HHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(F)cc1F ZINC000012851899 535589665 /nfs/dbraw/zinc/58/96/65/535589665.db2.gz OPIDIYFQPUJPND-SFHVURJKSA-N -1 0 416.380 3.771 50 0 HHAARM O=S(=O)([N-]c1cccc(C2OCCCO2)c1)c1ccc(Br)s1 ZINC000000643477 557034049 /nfs/dbraw/zinc/03/40/49/557034049.db2.gz HSRFLHKCBPHEOD-UHFFFAOYSA-N -1 0 404.307 3.747 50 0 HHAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000755022 557076569 /nfs/dbraw/zinc/07/65/69/557076569.db2.gz AQOWVFPEQRDLFG-UHFFFAOYSA-N -1 0 403.485 3.595 50 0 HHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)n1 ZINC000000917621 557117827 /nfs/dbraw/zinc/11/78/27/557117827.db2.gz PYSLSHYZMGMNRC-HNNXBMFYSA-N -1 0 410.499 3.718 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1cccs1 ZINC000001113976 557185753 /nfs/dbraw/zinc/18/57/53/557185753.db2.gz XRVYLMULVVFHHA-UHFFFAOYSA-N -1 0 410.480 3.744 50 0 HHAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000001156512 557214366 /nfs/dbraw/zinc/21/43/66/557214366.db2.gz GOBUVTKGBKAXIR-UHFFFAOYSA-N -1 0 423.288 3.591 50 0 HHAARM COC(=O)C(C)(C)[C@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccco1 ZINC000002376603 557342146 /nfs/dbraw/zinc/34/21/46/557342146.db2.gz NQARFGOSJHMIAE-GJZGRUSLSA-N -1 0 421.243 3.743 50 0 HHAARM CC(C)(C)OC(=O)[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560715 557356642 /nfs/dbraw/zinc/35/66/42/557356642.db2.gz VZXQYACYLGRQJU-LJQANCHMSA-N -1 0 411.454 3.710 50 0 HHAARM O=C([O-])[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583280 557358353 /nfs/dbraw/zinc/35/83/53/557358353.db2.gz JZSULZSNDXGGHP-DHIUTWEWSA-N -1 0 417.461 3.582 50 0 HHAARM COc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)c2cccc(OC)c2)c1 ZINC000002881713 557419779 /nfs/dbraw/zinc/41/97/79/557419779.db2.gz QEVFDLQXQHJKDA-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM Cc1cccc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1 ZINC000034768719 557463369 /nfs/dbraw/zinc/46/33/69/557463369.db2.gz RDMMOYBQVOGEMA-UHFFFAOYSA-N -1 0 416.403 3.820 50 0 HHAARM O=C(Nc1ccccc1O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635605 557495660 /nfs/dbraw/zinc/49/56/60/557495660.db2.gz VFPIDGYYGNFYMH-UHFFFAOYSA-N -1 0 419.462 3.994 50 0 HHAARM CC(=O)c1sc(Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)nc1C ZINC000004660913 557577899 /nfs/dbraw/zinc/57/78/99/557577899.db2.gz DNPHDYQYRGRPAG-UHFFFAOYSA-N -1 0 406.489 3.803 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)no1 ZINC000004749188 557592463 /nfs/dbraw/zinc/59/24/63/557592463.db2.gz GZTPJBLUAHKPSD-UHFFFAOYSA-N -1 0 403.485 3.515 50 0 HHAARM CCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000005104810 557636814 /nfs/dbraw/zinc/63/68/14/557636814.db2.gz IZKHTHXRBXJFPH-UIMCMNAESA-N -1 0 414.889 3.789 50 0 HHAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000006036234 557684718 /nfs/dbraw/zinc/68/47/18/557684718.db2.gz RHCPKKNRWFXMAT-RRWYKFPJSA-N -1 0 406.563 3.657 50 0 endogenous,in-man HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)c1C ZINC000006292412 557698198 /nfs/dbraw/zinc/69/81/98/557698198.db2.gz ITKKFCVDVGXZFD-OAHLLOKOSA-N -1 0 418.302 3.615 50 0 HHAARM CCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000007361571 557739744 /nfs/dbraw/zinc/73/97/44/557739744.db2.gz XPTXDLYSIPKPNP-UHFFFAOYSA-N -1 0 415.471 3.825 50 0 HHAARM O=S(=O)([N-]c1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(F)cc1 ZINC000002777848 557761032 /nfs/dbraw/zinc/76/10/32/557761032.db2.gz AAYAKVAETLSOON-UHFFFAOYSA-N -1 0 401.250 3.573 50 0 HHAARM COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)/C=C/C(=O)[O-] ZINC000008618108 557797189 /nfs/dbraw/zinc/79/71/89/557797189.db2.gz POYVCXBWJCBMKP-SNAWJCMRSA-N -1 0 415.345 3.925 50 0 HHAARM Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000020255237 558351825 /nfs/dbraw/zinc/35/18/25/558351825.db2.gz DFUUULIYBHXCFB-UHFFFAOYSA-N -1 0 404.669 3.910 50 0 HHAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCc1ccc(Br)cc1 ZINC000012411588 558401001 /nfs/dbraw/zinc/40/10/01/558401001.db2.gz YSDKVWUHRQAGGK-DHDCSXOGSA-N -1 0 417.259 3.607 50 0 HHAARM Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000021089802 558431141 /nfs/dbraw/zinc/43/11/41/558431141.db2.gz HVGMNILLZHMPSR-IBGZPJMESA-N -1 0 403.442 3.521 50 0 HHAARM O=C([O-])CC1=C(c2cccs2)Nn2c(COc3ccc(Cl)cc3)nnc2S1 ZINC000013182319 558525492 /nfs/dbraw/zinc/52/54/92/558525492.db2.gz ATWHIIASSJKESR-CYBMUJFWSA-N -1 0 420.903 3.773 50 0 HHAARM COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])ON(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000013541532 558537686 /nfs/dbraw/zinc/53/76/86/558537686.db2.gz UJVPADQYHUNJPW-BHDDXSALSA-N -1 0 418.449 3.896 50 0 HHAARM COc1cc(OC)cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000023194570 558542115 /nfs/dbraw/zinc/54/21/15/558542115.db2.gz XGGBZQNFQLFRGQ-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM O=C(Nc1cccnc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013571292 558542074 /nfs/dbraw/zinc/54/20/74/558542074.db2.gz RHAGJGSZHPKTBK-UHFFFAOYSA-N -1 0 410.480 3.744 50 0 HHAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000013638958 558555284 /nfs/dbraw/zinc/55/52/84/558555284.db2.gz QPFSDFFLHBYCIJ-NPDFUIFFSA-N -1 0 408.435 3.616 50 0 HHAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000013955217 558607504 /nfs/dbraw/zinc/60/75/04/558607504.db2.gz TVXPMJBVJPXBGU-UHFFFAOYSA-N -1 0 403.232 3.748 50 0 HHAARM CCOc1ccc(COc2cccc([C@@H]3N[C@H](C(=O)[O-])CS3)c2)cc1OCC ZINC000013961500 558609298 /nfs/dbraw/zinc/60/92/98/558609298.db2.gz XRVAGDXCLQTBOR-FXAWDEMLSA-N -1 0 403.500 3.851 50 0 HHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NOCc1ccccc1 ZINC000024748055 558609719 /nfs/dbraw/zinc/60/97/19/558609719.db2.gz ULAGVQDHTBZVCF-UHFFFAOYSA-N -1 0 414.458 3.797 50 0 HHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2Br)C[C@H]1C(=O)[O-] ZINC000014632489 558662236 /nfs/dbraw/zinc/66/22/36/558662236.db2.gz DNLFSLRQSMZBAT-JQWIXIFHSA-N -1 0 420.687 3.944 50 0 HHAARM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3OC(F)(F)F)cc2C[C@@H]1C ZINC000028680839 558703521 /nfs/dbraw/zinc/70/35/21/558703521.db2.gz CLFJTCFMRNZUFE-NSHDSACASA-N -1 0 414.405 3.684 50 0 HHAARM COCc1cc(C)nc2sc3c(c21)N[C@H](c1c2ccccc2[nH]c1C(=O)[O-])NC3=O ZINC000015107960 558723505 /nfs/dbraw/zinc/72/35/05/558723505.db2.gz GXZRBYQHQHOPHK-SFHVURJKSA-N -1 0 422.466 3.785 50 0 HHAARM Cc1nc(Cc2ccccc2)sc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000030563178 558732904 /nfs/dbraw/zinc/73/29/04/558732904.db2.gz NAMIQOQXQHCXRV-UHFFFAOYSA-N -1 0 410.524 3.613 50 0 HHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1CSc1nc2ccccc2o1 ZINC000004577206 558752065 /nfs/dbraw/zinc/75/20/65/558752065.db2.gz HHJMIFAGHMJTAL-YOEHRIQHSA-N -1 0 402.497 3.917 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1F ZINC000015797331 558753714 /nfs/dbraw/zinc/75/37/14/558753714.db2.gz DJGKXTBGNPPUMA-RHSMWYFYSA-N -1 0 420.506 3.944 50 0 HHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004580899 558767190 /nfs/dbraw/zinc/76/71/90/558767190.db2.gz CILSRTZKYUYYAB-NGOBRMJYSA-N -1 0 401.503 3.942 50 0 HHAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081992 558813947 /nfs/dbraw/zinc/81/39/47/558813947.db2.gz JWLSNJKUNIOSFV-HUUCEWRRSA-N -1 0 400.500 3.960 50 0 HHAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(N)=O)c1-c1ccc(Cl)cc1Cl ZINC000017082133 558814188 /nfs/dbraw/zinc/81/41/88/558814188.db2.gz IMPUSDKVLIDDAW-UHFFFAOYSA-N -1 0 401.271 3.933 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082486 558814520 /nfs/dbraw/zinc/81/45/20/558814520.db2.gz UDLVDBPNXKKGGT-UONOGXRCSA-N -1 0 402.516 3.515 50 0 HHAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000017082647 558814830 /nfs/dbraw/zinc/81/48/30/558814830.db2.gz QKHXLBSAUCQLQM-UHFFFAOYSA-N -1 0 403.456 3.502 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017088513 558817324 /nfs/dbraw/zinc/81/73/24/558817324.db2.gz HGKGBDROGUSSSG-JKSUJKDBSA-N -1 0 410.495 3.913 50 0 HHAARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc1 ZINC000000783627 558835798 /nfs/dbraw/zinc/83/57/98/558835798.db2.gz XFYAJGSVARDVMI-LDADJPATSA-N -1 0 414.303 3.757 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314711 558848665 /nfs/dbraw/zinc/84/86/65/558848665.db2.gz KCCYMRFFOUTRFH-GOSISDBHSA-N -1 0 408.845 3.826 50 0 HHAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000049547793 558850005 /nfs/dbraw/zinc/85/00/05/558850005.db2.gz HVFYBVFFVDNSHQ-UHFFFAOYSA-N -1 0 410.698 3.751 50 0 HHAARM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)cc1 ZINC000068732608 558864726 /nfs/dbraw/zinc/86/47/26/558864726.db2.gz JUMPIBDMJASZOB-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM O=C([O-])c1ccn(-c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000058158927 558904212 /nfs/dbraw/zinc/90/42/12/558904212.db2.gz OFAWZXOMEJETQS-UHFFFAOYSA-N -1 0 412.254 3.678 50 0 HHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2F)c1 ZINC000065363356 558974344 /nfs/dbraw/zinc/97/43/44/558974344.db2.gz HCCZIORMSQHRKC-UHFFFAOYSA-N -1 0 413.474 3.568 50 0 HHAARM O=C(c1ccsc1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097138088 558996560 /nfs/dbraw/zinc/99/65/60/558996560.db2.gz MUGPAJRRCQXQQH-UHFFFAOYSA-N -1 0 410.886 3.603 50 0 HHAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)cc1 ZINC000023157327 559022288 /nfs/dbraw/zinc/02/22/88/559022288.db2.gz GLLWHEFHFZTHRP-LJQANCHMSA-N -1 0 406.511 3.961 50 0 HHAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023157524 559022463 /nfs/dbraw/zinc/02/24/63/559022463.db2.gz CXOYJHOTNBNZIK-LJQANCHMSA-N -1 0 423.517 3.856 50 0 HHAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3SC3CCCC3)cc2n(C)c1=O ZINC000050531778 559187315 /nfs/dbraw/zinc/18/73/15/559187315.db2.gz NVESMZGVPFPPDH-UHFFFAOYSA-N -1 0 417.556 3.713 50 0 HHAARM CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000004914803 559203381 /nfs/dbraw/zinc/20/33/81/559203381.db2.gz IHARNLWNYKKQHO-HXUWFJFHSA-N -1 0 423.469 3.572 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000005121088 559247888 /nfs/dbraw/zinc/24/78/88/559247888.db2.gz FXFSNJWTHHMUBY-UHFFFAOYSA-N -1 0 410.451 3.777 50 0 HHAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc3c2N1CCC3 ZINC000005154202 559253517 /nfs/dbraw/zinc/25/35/17/559253517.db2.gz XUMNUUFYOCWDTO-UHFFFAOYSA-N -1 0 410.417 3.732 50 0 HHAARM COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1cccc(C)c1 ZINC000005199311 559292433 /nfs/dbraw/zinc/29/24/33/559292433.db2.gz MJPQSKPXUVOHBM-UHFFFAOYSA-N -1 0 415.449 3.773 50 0 HHAARM O=S(=O)([N-]c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccs1 ZINC000003243391 560188917 /nfs/dbraw/zinc/18/89/17/560188917.db2.gz LZWUNZRMANFRAO-UHFFFAOYSA-N -1 0 405.341 3.861 50 0 in-vitro HHAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1N1CCCCC1=O ZINC000005329945 560565692 /nfs/dbraw/zinc/56/56/92/560565692.db2.gz FLNPEBCBRNGZOU-UHFFFAOYSA-N -1 0 400.909 3.728 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)s1 ZINC000008977193 560640454 /nfs/dbraw/zinc/64/04/54/560640454.db2.gz RKNADFKQSAXYQT-UHFFFAOYSA-N -1 0 402.497 3.649 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1Br ZINC000000813078 560725795 /nfs/dbraw/zinc/72/57/95/560725795.db2.gz HYADBFUXVFEUTA-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1Br ZINC000001160362 560727454 /nfs/dbraw/zinc/72/74/54/560727454.db2.gz ZMMCFSNMUUFJAU-UHFFFAOYSA-N -1 0 423.288 3.591 50 0 HHAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2-c2cn3ccsc3n2)c1C ZINC000206893207 560749021 /nfs/dbraw/zinc/74/90/21/560749021.db2.gz XJUZEZZCGGTFKW-UHFFFAOYSA-N -1 0 401.517 3.697 50 0 HHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1-c1cn2ccsc2n1 ZINC000206908237 560749240 /nfs/dbraw/zinc/74/92/40/560749240.db2.gz RWPWXQVFMUSUKO-UHFFFAOYSA-N -1 0 419.509 3.712 50 0 HHAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000018068174 560774607 /nfs/dbraw/zinc/77/46/07/560774607.db2.gz PUFCLNNYRLZNST-HSALFYBXSA-N -1 0 405.841 3.786 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cc(C)ccc3F)c([O-])c3cccnc32)c1 ZINC000101722137 560798705 /nfs/dbraw/zinc/79/87/05/560798705.db2.gz WQSMOYVRSJTWAW-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)N[C@@H](C)c3ccccc3)c([O-])c3cccnc32)c1 ZINC000101722464 560798809 /nfs/dbraw/zinc/79/88/09/560798809.db2.gz BEAHJSYYBHVJPL-HNNXBMFYSA-N -1 0 415.449 3.591 50 0 HHAARM O=C(Nc1ccc(F)c(F)c1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722822 560799019 /nfs/dbraw/zinc/79/90/19/560799019.db2.gz SHXWTJOVYJLVLG-UHFFFAOYSA-N -1 0 407.376 3.681 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(C)cc3F)c([O-])c3cccnc32)cc1 ZINC000101723387 560799211 /nfs/dbraw/zinc/79/92/11/560799211.db2.gz SECQSQZKCIVPFQ-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723511 560799235 /nfs/dbraw/zinc/79/92/35/560799235.db2.gz NZTFSGOCFSPZJL-UHFFFAOYSA-N -1 0 401.422 3.661 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3cc(C)ccc3F)c([O-])c3cccnc32)cc1 ZINC000101723356 560799239 /nfs/dbraw/zinc/79/92/39/560799239.db2.gz WVFIOLZRXZDVHN-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM COc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)c(OC)c1 ZINC000101833281 560803156 /nfs/dbraw/zinc/80/31/56/560803156.db2.gz VLZVDGOCWRRREM-UHFFFAOYSA-N -1 0 416.503 3.548 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2cccs2)C1 ZINC000101835785 560803457 /nfs/dbraw/zinc/80/34/57/560803457.db2.gz ONNKFLNGAWCLED-CQSZACIVSA-N -1 0 400.847 3.834 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@@H](c2ccccc2Cl)C1 ZINC000101835993 560803491 /nfs/dbraw/zinc/80/34/91/560803491.db2.gz KTQCUFKRPKMLHR-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000024429206 560808635 /nfs/dbraw/zinc/80/86/35/560808635.db2.gz PPBTZJMXJFPFML-UHFFFAOYSA-N -1 0 411.321 3.778 50 0 HHAARM O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCc2sccc2C1 ZINC000012216874 560892348 /nfs/dbraw/zinc/89/23/48/560892348.db2.gz KBGQRABRVQGVDO-UHFFFAOYSA-N -1 0 416.499 3.887 50 0 HHAARM COc1cc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc(C(=O)[O-])c2)ccc1O ZINC000108263079 560898650 /nfs/dbraw/zinc/89/86/50/560898650.db2.gz RAOWPQJQQBVPEN-BENRWUELSA-N -1 0 414.417 3.969 50 0 HHAARM CCCSc1nnc([N-]C(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)s1 ZINC000046086981 568428238 /nfs/dbraw/zinc/42/82/38/568428238.db2.gz SIJCHJJYVHYRRW-UHFFFAOYSA-N -1 0 406.489 3.965 50 0 HHAARM CCCNC(=O)c1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)c1 ZINC000236877102 568443047 /nfs/dbraw/zinc/44/30/47/568443047.db2.gz ANYGHJCGWGBGCR-UHFFFAOYSA-N -1 0 422.403 3.572 50 0 HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)cc2OC)CC(=O)N3)c1 ZINC000049543246 568451118 /nfs/dbraw/zinc/45/11/18/568451118.db2.gz BBIOBNJPQIAQSA-QGZVFWFLSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000005684009 568453625 /nfs/dbraw/zinc/45/36/25/568453625.db2.gz WQWHEYJPALUSSM-UHFFFAOYSA-N -1 0 414.892 3.869 50 0 HHAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)[n-]c2=O)cc1 ZINC000024747977 568460924 /nfs/dbraw/zinc/46/09/24/568460924.db2.gz MPVLWEICZTTZDD-UHFFFAOYSA-N -1 0 420.853 3.776 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935275 568464735 /nfs/dbraw/zinc/46/47/35/568464735.db2.gz MLNKILJMEGYMMZ-HNNXBMFYSA-N -1 0 414.527 3.882 50 0 HHAARM COc1ccc(NC(=O)CCSC)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000021877904 568472027 /nfs/dbraw/zinc/47/20/27/568472027.db2.gz PXGGAHVQTDOOMM-UHFFFAOYSA-N -1 0 414.936 3.841 50 0 HHAARM Cc1cccc(C[C@@H](CC(=O)Nc2ccc(I)cc2)C(=O)[O-])c1 ZINC000000783552 568475798 /nfs/dbraw/zinc/47/57/98/568475798.db2.gz VWVVBGAYYSEVCE-AWEZNQCLSA-N -1 0 423.250 3.872 50 0 HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2)s1 ZINC000000792432 568481116 /nfs/dbraw/zinc/48/11/16/568481116.db2.gz FIRRTEALCOFVAI-ZDUSSCGKSA-N -1 0 416.528 3.644 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccs3)C2)cc1OC ZINC000000801919 568484873 /nfs/dbraw/zinc/48/48/73/568484873.db2.gz RNELQDMAUDCFJA-HNNXBMFYSA-N -1 0 402.472 3.698 50 0 HHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cccc(C)c4[nH]c3=O)C2)cc1 ZINC000000808239 568487300 /nfs/dbraw/zinc/48/73/00/568487300.db2.gz DGGFBSCNBQLMPX-HXUWFJFHSA-N -1 0 417.465 3.687 50 0 HHAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1cccnc1 ZINC000095750641 568511419 /nfs/dbraw/zinc/51/14/19/568511419.db2.gz GGTIJXPEZGDCOJ-KRWDZBQOSA-N -1 0 402.450 3.864 50 0 HHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000080350681 568603728 /nfs/dbraw/zinc/60/37/28/568603728.db2.gz DJFAVSWKYYGECG-QGZVFWFLSA-N -1 0 400.887 3.818 50 0 HHAARM COCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(Br)c(C)c1 ZINC000225400343 568634176 /nfs/dbraw/zinc/63/41/76/568634176.db2.gz BFYPPGXGGAFCGK-UHFFFAOYSA-N -1 0 421.700 3.589 50 0 HHAARM Cc1nc(N2CCCC2)nc(C)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096098622 568689779 /nfs/dbraw/zinc/68/97/79/568689779.db2.gz ZXANHSYKKDIUMQ-UHFFFAOYSA-N -1 0 400.426 3.513 50 0 HHAARM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000685944847 568722847 /nfs/dbraw/zinc/72/28/47/568722847.db2.gz CZUOTNFFUHIVIN-LYAYERMMSA-N -1 0 407.466 3.938 50 0 HHAARM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)[O-])cc1OC ZINC000000869003 568725261 /nfs/dbraw/zinc/72/52/61/568725261.db2.gz YWNFJBJNHQVNPD-QGZVFWFLSA-N -1 0 416.861 3.900 50 0 HHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000096361112 568739020 /nfs/dbraw/zinc/73/90/20/568739020.db2.gz FSDCSGWTBNMMFG-UHFFFAOYSA-N -1 0 410.499 3.568 50 0 HHAARM O=C(Nc1ccc(Cl)cc1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361232 568739125 /nfs/dbraw/zinc/73/91/25/568739125.db2.gz AXKGGWPALLVZSK-UHFFFAOYSA-N -1 0 411.270 3.770 50 0 HHAARM CCCCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000096361185 568739131 /nfs/dbraw/zinc/73/91/31/568739131.db2.gz PAOUGIQQHCMRHM-UHFFFAOYSA-N -1 0 416.478 3.945 50 0 HHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(Br)c2)o1 ZINC000096379605 568741200 /nfs/dbraw/zinc/74/12/00/568741200.db2.gz XAFTVGPGXPMSLI-UHFFFAOYSA-N -1 0 411.281 3.553 50 0 HHAARM Cc1ccc(OCCSC2=NC(=O)C(Cc3ccccc3F)C([O-])=N2)cc1C ZINC000096564809 568760850 /nfs/dbraw/zinc/76/08/50/568760850.db2.gz UEWBIOJZKAJICU-UHFFFAOYSA-N -1 0 400.475 3.993 50 0 HHAARM CC1=CC[C@@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(CN3OCC(C)(C)C3=O)c(Cl)c2)C1 ZINC000096592271 568763127 /nfs/dbraw/zinc/76/31/27/568763127.db2.gz XCVTUDHJHCRBJL-HZPDHXFCSA-N -1 0 420.893 3.636 50 0 HHAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc4ccccc4c(C(=O)[O-])c3C2)cc1 ZINC000002922969 568816949 /nfs/dbraw/zinc/81/69/49/568816949.db2.gz PAFBBADCGWSHOH-UHFFFAOYSA-N -1 0 424.522 3.978 50 0 HHAARM COc1ccc(NC(=O)CCc2nnc(-c3ccc(OCC(C)C)cc3)[n-]c2=O)cc1 ZINC000034763906 568825604 /nfs/dbraw/zinc/82/56/04/568825604.db2.gz JIGKHNJTTGNSGK-UHFFFAOYSA-N -1 0 422.485 3.859 50 0 HHAARM Cn1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccc(Cl)cc2)cc1C(N)=O ZINC000012525879 568842879 /nfs/dbraw/zinc/84/28/79/568842879.db2.gz NCUMDUJJBIZTHF-UHFFFAOYSA-N -1 0 421.931 3.729 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)no1 ZINC000003225436 568864133 /nfs/dbraw/zinc/86/41/33/568864133.db2.gz WQIXJMAIHMBUAH-UHFFFAOYSA-N -1 0 409.826 3.829 50 0 HHAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1cccs1 ZINC000003348324 568884915 /nfs/dbraw/zinc/88/49/15/568884915.db2.gz MDJZJSMDUWJARP-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM CCOC(=O)c1cc(C(=O)c2ccccc2[O-])cn2c(=O)c3c(C)c(C)sc3nc12 ZINC000003418970 568899437 /nfs/dbraw/zinc/89/94/37/568899437.db2.gz SJMJCEGOCSMTOZ-UHFFFAOYSA-N -1 0 422.462 3.639 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)nc1 ZINC000003566439 568916316 /nfs/dbraw/zinc/91/63/16/568916316.db2.gz MYPZIMOSIMMTOY-UHFFFAOYSA-N -1 0 403.895 3.521 50 0 HHAARM COc1cc(OC)c(NC(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1Cl ZINC000003660275 568923382 /nfs/dbraw/zinc/92/33/82/568923382.db2.gz KXPQXJZYSUNPEL-UHFFFAOYSA-N -1 0 402.834 3.728 50 0 HHAARM CC(NCc1cccc(C)c1)=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000001407354 568928342 /nfs/dbraw/zinc/92/83/42/568928342.db2.gz QTDWKTPZZMWTBK-SFQUDFHCSA-N -1 0 418.280 3.948 50 0 HHAARM CCOc1ccc2nc(NC(=O)[N-]S(=O)(=O)c3cccc(Cl)c3)sc2c1 ZINC000001415335 568933689 /nfs/dbraw/zinc/93/36/89/568933689.db2.gz RTKJZIVOJZFMSC-UHFFFAOYSA-N -1 0 411.892 3.859 50 0 HHAARM CCC(=O)N1[C@H](c2cc(OC)ccc2OC)c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000004029345 568934273 /nfs/dbraw/zinc/93/42/73/568934273.db2.gz WWDMXHVDNFWRMO-PGRDOPGGSA-N -1 0 408.454 3.522 50 0 biogenic HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CC2)ccc1Cl ZINC000008183768 568980131 /nfs/dbraw/zinc/98/01/31/568980131.db2.gz ZXXQJRQAIUJWEN-GFCCVEGCSA-N -1 0 408.907 3.678 50 0 HHAARM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035105632 568991892 /nfs/dbraw/zinc/99/18/92/568991892.db2.gz JKPNAPSLYBTZHJ-KKSFZXQISA-N -1 0 408.454 3.669 50 0 HHAARM Cc1ccc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccccc2I)cc1 ZINC000008398040 568999615 /nfs/dbraw/zinc/99/96/15/568999615.db2.gz VPBLKFOYKFKRIT-AWEZNQCLSA-N -1 0 423.250 3.872 50 0 HHAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006147181 569014678 /nfs/dbraw/zinc/01/46/78/569014678.db2.gz QAMUSAODQUEATJ-UHFFFAOYSA-N -1 0 416.449 3.738 50 0 HHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000016230443 569030183 /nfs/dbraw/zinc/03/01/83/569030183.db2.gz BVBOTXHVBZXCCJ-UHFFFAOYSA-N -1 0 405.376 3.786 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000035397351 569034846 /nfs/dbraw/zinc/03/48/46/569034846.db2.gz GXTDIQYZWNFMRY-UHFFFAOYSA-N -1 0 411.483 3.525 50 0 HHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000035397488 569034998 /nfs/dbraw/zinc/03/49/98/569034998.db2.gz CCXOGFBYZFDMKS-UHFFFAOYSA-N -1 0 405.520 3.824 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc1OC ZINC000035405454 569035883 /nfs/dbraw/zinc/03/58/83/569035883.db2.gz OSNHNUWXXZHHIX-UHFFFAOYSA-N -1 0 424.544 3.582 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000006316899 569040312 /nfs/dbraw/zinc/04/03/12/569040312.db2.gz KJKWKXIRWDJLKJ-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737561 569041646 /nfs/dbraw/zinc/04/16/46/569041646.db2.gz YOAMVHBNCKAYMT-IFXJQAMLSA-N -1 0 409.438 3.597 50 0 biogenic HHAARM Cc1cc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(C)c1Cl ZINC000001792768 569053228 /nfs/dbraw/zinc/05/32/28/569053228.db2.gz UKLKRDSPHMZMAK-GOSISDBHSA-N -1 0 400.862 3.629 50 0 biogenic HHAARM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000089323083 569058506 /nfs/dbraw/zinc/05/85/06/569058506.db2.gz JHEKMYKGAKHXNS-UHFFFAOYSA-N -1 0 421.263 3.917 50 0 HHAARM CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000426701461 569073877 /nfs/dbraw/zinc/07/38/77/569073877.db2.gz QFHBTXQLMQRSGA-FQEVSTJZSA-N -1 0 418.497 3.830 50 0 HHAARM CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000426701462 569073917 /nfs/dbraw/zinc/07/39/17/569073917.db2.gz QFHBTXQLMQRSGA-HXUWFJFHSA-N -1 0 418.497 3.830 50 0 HHAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624133 569075463 /nfs/dbraw/zinc/07/54/63/569075463.db2.gz KGEDPIOWWIZIBZ-SBKAZYGRSA-N -1 0 413.470 3.931 50 0 biogenic HHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCCCC(=O)[O-])OC(C)(C)CC3 ZINC000006624515 569075601 /nfs/dbraw/zinc/07/56/01/569075601.db2.gz PUKKUYAJFPFOFH-UHFFFAOYSA-N -1 0 415.486 3.509 50 0 biogenic HHAARM CCC(=O)Nc1ccccc1-c1nnc(SCc2ccc(C(=O)OC)cc2)[n-]c1=O ZINC000064774708 569093414 /nfs/dbraw/zinc/09/34/14/569093414.db2.gz YOQHNXWTUCJIAE-UHFFFAOYSA-N -1 0 424.482 3.672 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000064820388 569102587 /nfs/dbraw/zinc/10/25/87/569102587.db2.gz PKXBCRAJWGFRDN-UHFFFAOYSA-N -1 0 414.433 3.556 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2C)CC1 ZINC000064820476 569102694 /nfs/dbraw/zinc/10/26/94/569102694.db2.gz OOOGZSYULBLJJZ-UHFFFAOYSA-N -1 0 410.470 3.725 50 0 HHAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000064837405 569104416 /nfs/dbraw/zinc/10/44/16/569104416.db2.gz DLUKMXZIQDBMKC-UHFFFAOYSA-N -1 0 400.456 3.970 50 0 HHAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(F)cc21 ZINC000036360189 569151383 /nfs/dbraw/zinc/15/13/83/569151383.db2.gz BFFGBOWMKVWSGO-QHCPKHFHSA-N -1 0 424.472 3.945 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021138 569154236 /nfs/dbraw/zinc/15/42/36/569154236.db2.gz USFPEZBGDUXHAV-UHFFFAOYSA-N -1 0 402.516 3.776 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)c(C)n2C)o1 ZINC000065186518 569192135 /nfs/dbraw/zinc/19/21/35/569192135.db2.gz UICZUINVKYLJSH-UHFFFAOYSA-N -1 0 424.910 3.717 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)n1C ZINC000065194174 569192664 /nfs/dbraw/zinc/19/26/64/569192664.db2.gz GOLMGIMWBKKROA-UHFFFAOYSA-N -1 0 404.467 3.818 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C)n1C ZINC000065194182 569192671 /nfs/dbraw/zinc/19/26/71/569192671.db2.gz UUYLCCKASNOHIY-UHFFFAOYSA-N -1 0 404.467 3.818 50 0 HHAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2cccc(F)c2)c1C ZINC000065194604 569192767 /nfs/dbraw/zinc/19/27/67/569192767.db2.gz BBAXAALJZBUVMC-UHFFFAOYSA-N -1 0 404.467 3.992 50 0 HHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCn1ccc2cc(Br)ccc21 ZINC000036579950 569202839 /nfs/dbraw/zinc/20/28/39/569202839.db2.gz QOVVUHKUNBUJQS-QGZVFWFLSA-N -1 0 415.287 3.606 50 0 HHAARM Cc1ccc(F)c(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 ZINC000065250020 569206016 /nfs/dbraw/zinc/20/60/16/569206016.db2.gz KWIWPEKGGRCYCE-UHFFFAOYSA-N -1 0 412.808 3.773 50 0 HHAARM O=S(=O)([N-]c1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)c1cccnc1 ZINC000170609226 569244905 /nfs/dbraw/zinc/24/49/05/569244905.db2.gz CJEYLSXQXNYQQH-UHFFFAOYSA-N -1 0 402.785 3.945 50 0 HHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1)NCc1cccs1 ZINC000013850319 569258063 /nfs/dbraw/zinc/25/80/63/569258063.db2.gz JAKPSMROKBTTLH-UHFFFAOYSA-N -1 0 422.478 3.686 50 0 HHAARM COc1ccccc1CNC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000016839936 569264385 /nfs/dbraw/zinc/26/43/85/569264385.db2.gz AYFYEOQINTXHNZ-UHFFFAOYSA-N -1 0 400.434 3.635 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017082918 569273208 /nfs/dbraw/zinc/27/32/08/569273208.db2.gz RTOIUWWMFAMKHX-CVEARBPZSA-N -1 0 404.532 3.897 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccco2)cc1 ZINC000017209437 569276635 /nfs/dbraw/zinc/27/66/35/569276635.db2.gz WNTNFZZRTYRHRU-UHFFFAOYSA-N -1 0 410.455 3.644 50 0 HHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCC[C@@H]4C(=O)[O-])c(C)c3cc2c1C ZINC000002155197 569290246 /nfs/dbraw/zinc/29/02/46/569290246.db2.gz KNLJETCZJCLZFT-GOSISDBHSA-N -1 0 411.454 3.863 50 0 biogenic HHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc1c2C ZINC000002154570 569290261 /nfs/dbraw/zinc/29/02/61/569290261.db2.gz CKUYVPYAMMXSDV-UHFFFAOYSA-N -1 0 411.454 3.720 50 0 biogenic HHAARM Cc1cc2ccccc2n1CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000170672605 569297823 /nfs/dbraw/zinc/29/78/23/569297823.db2.gz SGQOMVQKRRKECF-OAQYLSRUSA-N -1 0 419.481 3.668 50 0 HHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1Cl ZINC000007709120 569301698 /nfs/dbraw/zinc/30/16/98/569301698.db2.gz RAZDYTVBQPBECS-UHFFFAOYSA-N -1 0 404.669 3.910 50 0 HHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000007729035 569303561 /nfs/dbraw/zinc/30/35/61/569303561.db2.gz BWWVUUWUTVCWNO-UHFFFAOYSA-N -1 0 409.389 3.895 50 0 HHAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc2c1OCO2 ZINC000066087868 569314322 /nfs/dbraw/zinc/31/43/22/569314322.db2.gz HRMGOKHNYBOGLT-CQSZACIVSA-N -1 0 424.384 3.526 50 0 HHAARM O=C([O-])c1cn(-c2cccc(Br)c2)c2c1NC(=O)C[C@H]2C(F)(F)F ZINC000066089651 569314410 /nfs/dbraw/zinc/31/44/10/569314410.db2.gz OARJKBKXQYSBKU-SNVBAGLBSA-N -1 0 403.154 3.926 50 0 HHAARM COC(=O)C[C@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1cc2c(cc1O)OCO2 ZINC000253413731 569366909 /nfs/dbraw/zinc/36/69/09/569366909.db2.gz VNUOLSVQJIBDTR-HNNXBMFYSA-N -1 0 410.378 3.774 50 0 biogenic HHAARM COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@H](C)C3)cc1 ZINC000000722406 571041225 /nfs/dbraw/zinc/04/12/25/571041225.db2.gz BZVPTVNXVSYXQP-LBPRGKRZSA-N -1 0 416.499 3.937 50 0 HHAARM O=C([O-])C[C@@]1(C(=O)Nc2ccc(F)cc2)CC(c2ccc(Br)cc2)=NO1 ZINC000008994542 571208275 /nfs/dbraw/zinc/20/82/75/571208275.db2.gz ZSIBPROWYIVKHQ-GOSISDBHSA-N -1 0 421.222 3.565 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)n1C ZINC000009685306 571279851 /nfs/dbraw/zinc/27/98/51/571279851.db2.gz PPBCOTBYDPQULA-UHFFFAOYSA-N -1 0 407.511 3.598 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)s2)on1 ZINC000009688974 571280256 /nfs/dbraw/zinc/28/02/56/571280256.db2.gz PXJPLZUBGMMRTK-UHFFFAOYSA-N -1 0 410.448 3.828 50 0 HHAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000009708788 571280937 /nfs/dbraw/zinc/28/09/37/571280937.db2.gz WBEZNGVCPSOWLU-UHFFFAOYSA-N -1 0 416.311 3.836 50 0 HHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccccc1Cl ZINC000013689801 571306693 /nfs/dbraw/zinc/30/66/93/571306693.db2.gz AVXXMVAXDZJJEE-UHFFFAOYSA-N -1 0 407.904 3.779 50 0 HHAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)sc2c1 ZINC000007055020 571309132 /nfs/dbraw/zinc/30/91/32/571309132.db2.gz RMBTWUTXAPEJBM-UHFFFAOYSA-N -1 0 406.485 3.657 50 0 HHAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3nc4ccccc4s3)cc2s1 ZINC000013688527 571309957 /nfs/dbraw/zinc/30/99/57/571309957.db2.gz RHMLBRADVFFJIC-UHFFFAOYSA-N -1 0 404.498 3.530 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1 ZINC000001196693 960460667 /nfs/dbraw/zinc/46/06/67/960460667.db2.gz GVOFXANWDLTOQJ-UHFFFAOYSA-N -1 0 416.499 3.557 50 0 HHAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc(NC(=O)C3CC3)cc21 ZINC000033260828 966405222 /nfs/dbraw/zinc/40/52/22/966405222.db2.gz AXKDBGZGPYECNL-UHFFFAOYSA-N -1 0 416.481 3.608 50 0 HHAARM O=C([O-])c1n[nH]cc1CN1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071661511 968853513 /nfs/dbraw/zinc/85/35/13/968853513.db2.gz ROCOHXSCIJWISJ-QGZVFWFLSA-N -1 0 405.454 3.995 50 0 HHAARM COc1cc(/C=C2/CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc2c1OCCO2 ZINC000084139913 969036873 /nfs/dbraw/zinc/03/68/73/969036873.db2.gz JHCNKJWDLWKOEI-YBEGLDIGSA-N -1 0 424.449 3.921 50 0 HHAARM CCOc1cc2c(cc1/C=C1/CCn3c1nc1cc(C(=O)[O-])ccc1c3=O)O[C@H](C)C2 ZINC000097993537 969182907 /nfs/dbraw/zinc/18/29/07/969182907.db2.gz MVTRBRDZDRKGSV-CKXDQPNJSA-N -1 0 418.449 3.761 50 0 HHAARM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000479572225 999484280 /nfs/dbraw/zinc/48/42/80/999484280.db2.gz BESOIQATELCBRI-UHFFFAOYSA-N -1 0 410.293 3.536 50 0 HHAARM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000537363399 1012834150 /nfs/dbraw/zinc/83/41/50/1012834150.db2.gz NKPQHKZKYUMRQR-QGZVFWFLSA-N -1 0 422.243 3.744 50 0 HHAARM CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005739794 533417978 /nfs/dbraw/zinc/41/79/78/533417978.db2.gz QFYQCKDEDAHDJB-VBKFSLOCSA-N -1 0 403.360 3.983 50 0 HHAARM Cc1ccc(N2CCN(c3ccc(NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)[O-])cc3)CC2)cc1 ZINC000000627093 132229219 /nfs/dbraw/zinc/22/92/19/132229219.db2.gz VICYZKBRPPBXCB-PKTZIBPZSA-N -1 0 419.525 3.927 50 0 HHAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Cl)c1OC ZINC000004385835 132276219 /nfs/dbraw/zinc/27/62/19/132276219.db2.gz QRAQIWOYCMKYJB-UHFFFAOYSA-N -1 0 420.893 3.894 50 0 HHAARM CCN(CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008974269 132334340 /nfs/dbraw/zinc/33/43/40/132334340.db2.gz HSXWKJXLERPSNB-CAPFRKAQSA-N -1 0 406.486 3.810 50 0 HHAARM CCN(CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000009111612 132335911 /nfs/dbraw/zinc/33/59/11/132335911.db2.gz QSFRRHNSEUKOLK-HMMYKYKNSA-N -1 0 422.485 3.510 50 0 HHAARM Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626868 132475220 /nfs/dbraw/zinc/47/52/20/132475220.db2.gz ZNBGEKURAJYAQD-LJQANCHMSA-N -1 0 423.517 3.856 50 0 HHAARM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc21 ZINC000032943672 519605733 /nfs/dbraw/zinc/60/57/33/519605733.db2.gz JTAWSUDRZXRBAO-UHFFFAOYSA-N -1 0 416.446 3.965 50 0 HHAARM CCOC[C@@H](C)CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000390832958 520072279 /nfs/dbraw/zinc/07/22/79/520072279.db2.gz DYWZNTRVIKPWOK-SJORKVTESA-N -1 0 404.532 3.592 50 0 HHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000020574907 521383356 /nfs/dbraw/zinc/38/33/56/521383356.db2.gz ROHJBYMGHTVOFI-UHFFFAOYSA-N -1 0 415.309 3.680 50 0 HHAARM COC(=O)c1ccsc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020569568 522306008 /nfs/dbraw/zinc/30/60/08/522306008.db2.gz HYBGNYMAILBPGY-UHFFFAOYSA-N -1 0 416.480 3.588 50 0 HHAARM C[C@@H](NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)C1CC1 ZINC000032778466 525126405 /nfs/dbraw/zinc/12/64/05/525126405.db2.gz FWXVFSWDXYMXCJ-ZCFIWIBFSA-N -1 0 405.332 3.619 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032095047 526306307 /nfs/dbraw/zinc/30/63/07/526306307.db2.gz KULJCMIKGVJSBB-KRWDZBQOSA-N -1 0 400.887 3.818 50 0 HHAARM O=C([O-])c1cccc(-n2c(/C=C3/C(=O)Nc4ccccc43)nc3ccccc3c2=O)c1 ZINC000032109698 526386884 /nfs/dbraw/zinc/38/68/84/526386884.db2.gz MLRCWASKARVTTR-QGOAFFKASA-N -1 0 409.401 3.577 50 0 biogenic HHAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622039 557019360 /nfs/dbraw/zinc/01/93/60/557019360.db2.gz SWZCTMTWRHEBIN-QFIPXVFZSA-N -1 0 403.434 3.927 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Br ZINC000000636787 557029830 /nfs/dbraw/zinc/02/98/30/557029830.db2.gz FGFZQUIJHWSMKN-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000791033 557081281 /nfs/dbraw/zinc/08/12/81/557081281.db2.gz HCOVGIUHRNGGGY-UHFFFAOYSA-N -1 0 417.874 3.553 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000000829040 557095017 /nfs/dbraw/zinc/09/50/17/557095017.db2.gz PXJBEBKSVYFWQR-UHFFFAOYSA-N -1 0 416.890 3.800 50 0 HHAARM COc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2OC)cc(C(=O)[O-])c1 ZINC000001075162 557172605 /nfs/dbraw/zinc/17/26/05/557172605.db2.gz BIQJZLNDWWJJIP-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM COc1ccccc1CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000001150742 557210543 /nfs/dbraw/zinc/21/05/43/557210543.db2.gz ZIWWWMCWVYOWDG-UHFFFAOYSA-N -1 0 404.422 3.827 50 0 HHAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 ZINC000001185467 557233627 /nfs/dbraw/zinc/23/36/27/557233627.db2.gz MUYPMCWJNCWCHX-AQHRCUNFSA-N -1 0 408.435 3.616 50 0 HHAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccccc2)N1C(=S)Nc1ccc(Cl)cc1 ZINC000022628234 557271323 /nfs/dbraw/zinc/27/13/23/557271323.db2.gz DRMSYIXZHMSHRM-SJLPKXTDSA-N -1 0 412.902 3.861 50 0 HHAARM Cc1ccc(OCCN2C(=O)S/C(=C\c3ccccc3OCC(=O)[O-])C2=O)cc1 ZINC000002820753 557395991 /nfs/dbraw/zinc/39/59/91/557395991.db2.gz ALGBAHLEEIEQBJ-PDGQHHTCSA-N -1 0 413.451 3.574 50 0 HHAARM CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1Br ZINC000002998937 557439390 /nfs/dbraw/zinc/43/93/90/557439390.db2.gz QTJNITDDXKVCJW-UHFFFAOYSA-N -1 0 423.288 3.673 50 0 HHAARM CCOC(=O)[C@@]([N-]c1ccccc1OC)(NC(=O)Nc1ccccc1)C(F)(F)F ZINC000003138629 557450471 /nfs/dbraw/zinc/45/04/71/557450471.db2.gz COAYCZQOTQXSIA-GOSISDBHSA-N -1 0 411.380 3.751 50 0 HHAARM CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3ccc(F)cc3)cc2)[n-]c1=O ZINC000034762975 557460357 /nfs/dbraw/zinc/46/03/57/557460357.db2.gz KTVDQASNQHFHHX-HNNXBMFYSA-N -1 0 424.476 3.810 50 0 HHAARM CC(C)COc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034765546 557462136 /nfs/dbraw/zinc/46/21/36/557462136.db2.gz LZSYMXADYCAGOD-UHFFFAOYSA-N -1 0 420.513 3.571 50 0 HHAARM Cc1cc(C)cc(N(CCC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000003295410 557469181 /nfs/dbraw/zinc/46/91/81/557469181.db2.gz QMGBCSKQSKPVAY-UHFFFAOYSA-N -1 0 412.305 3.736 50 0 HHAARM CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000003635195 557495756 /nfs/dbraw/zinc/49/57/56/557495756.db2.gz ACCPTPOVBWUFJU-KWMZMRFFSA-N -1 0 423.468 3.884 50 0 HHAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O ZINC000003981322 557503914 /nfs/dbraw/zinc/50/39/14/557503914.db2.gz WTYSXBKKVNOOIX-JTGCGUAKSA-N -1 0 402.506 3.855 50 0 in-vitro HHAARM Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cccc1C(=O)[O-] ZINC000005060087 557632329 /nfs/dbraw/zinc/63/23/29/557632329.db2.gz UPPVKMCVXAOIEF-UHFFFAOYSA-N -1 0 414.417 3.742 50 0 HHAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005101181 557635542 /nfs/dbraw/zinc/63/55/42/557635542.db2.gz MOTMVXLFBMXYGN-UONOGXRCSA-N -1 0 403.431 3.946 50 0 HHAARM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000006241361 557695704 /nfs/dbraw/zinc/69/57/04/557695704.db2.gz UZSVXFUNWHPXDH-UHFFFAOYSA-N -1 0 400.431 3.644 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)c1C ZINC000006292411 557698206 /nfs/dbraw/zinc/69/82/06/557698206.db2.gz ITKKFCVDVGXZFD-HNNXBMFYSA-N -1 0 418.302 3.615 50 0 HHAARM CSc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000006431793 557702183 /nfs/dbraw/zinc/70/21/83/557702183.db2.gz DPCFZOSRJBYQPV-QINSGFPZSA-N -1 0 409.554 3.880 50 0 HHAARM CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000006577892 557709081 /nfs/dbraw/zinc/70/90/81/557709081.db2.gz QQINSVUBRYKWKV-LJQANCHMSA-N -1 0 422.466 3.793 50 0 HHAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000002741204 557752619 /nfs/dbraw/zinc/75/26/19/557752619.db2.gz OVWKKOQAXWEDIK-UHFFFAOYSA-N -1 0 408.248 3.872 50 0 HHAARM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1ccco1 ZINC000002973782 557775848 /nfs/dbraw/zinc/77/58/48/557775848.db2.gz YMQZTRFUFIASGQ-UHFFFAOYSA-N -1 0 422.304 3.511 50 0 HHAARM COCCn1c(=O)c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2[n-]c1=S ZINC000003043845 557787048 /nfs/dbraw/zinc/78/70/48/557787048.db2.gz IUNMEJCMIKNCJV-UHFFFAOYSA-N -1 0 421.522 3.635 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000009095392 557823562 /nfs/dbraw/zinc/82/35/62/557823562.db2.gz YPYDPVVXHAWGTK-UHFFFAOYSA-N -1 0 410.495 3.734 50 0 HHAARM COc1ccccc1-n1c2nc(-c3cccs3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615430 558392510 /nfs/dbraw/zinc/39/25/10/558392510.db2.gz NLLZCVKUKNMHAO-UHFFFAOYSA-N -1 0 411.464 3.505 50 0 HHAARM COc1cccc(-c2cc(C(=O)[O-])c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)c1 ZINC000020615698 558392533 /nfs/dbraw/zinc/39/25/33/558392533.db2.gz QKRUHTSMRHRTEL-UHFFFAOYSA-N -1 0 419.462 3.752 50 0 HHAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)NCc3ccco3)cc2c1 ZINC000020616649 558393314 /nfs/dbraw/zinc/39/33/14/558393314.db2.gz XQCWLQQBWPJPTC-LVWGJNHUSA-N -1 0 418.405 3.895 50 0 HHAARM CSc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012408163 558399186 /nfs/dbraw/zinc/39/91/86/558399186.db2.gz IVAXSOABKZVCDG-FQEVSTJZSA-N -1 0 420.494 3.894 50 0 HHAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012409484 558399908 /nfs/dbraw/zinc/39/99/08/558399908.db2.gz QWQUZUDDUVTQML-UHFFFAOYSA-N -1 0 402.429 3.652 50 0 HHAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C(=O)OC)c1C ZINC000013140964 558522006 /nfs/dbraw/zinc/52/20/06/558522006.db2.gz FINBAMCYBNNFPI-UHFFFAOYSA-N -1 0 411.501 3.554 50 0 HHAARM Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cs1 ZINC000013256349 558527925 /nfs/dbraw/zinc/52/79/25/558527925.db2.gz UVRLYOSSUFNIML-UHFFFAOYSA-N -1 0 418.471 3.707 50 0 HHAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2OC)n(C2CCCCC2)c1=O ZINC000013957322 558607838 /nfs/dbraw/zinc/60/78/38/558607838.db2.gz MHWWQOWOQGQVHP-UHFFFAOYSA-N -1 0 417.531 3.756 50 0 HHAARM CCOc1ccc(COc2ccc([C@@H]3N[C@H](C(=O)[O-])CS3)cc2)cc1OCC ZINC000013961496 558609157 /nfs/dbraw/zinc/60/91/57/558609157.db2.gz PROCNAZBPOOCPM-FXAWDEMLSA-N -1 0 403.500 3.851 50 0 HHAARM O=C([O-])c1cc(NC(=O)CSc2nnc(-c3ccncc3)s2)ccc1Cl ZINC000004511357 558632878 /nfs/dbraw/zinc/63/28/78/558632878.db2.gz IPWPZEUDOVPHLI-UHFFFAOYSA-N -1 0 406.876 3.683 50 0 HHAARM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3cc(C(N)=O)n(C)c3)cc2)c(C)c1 ZINC000028198341 558692479 /nfs/dbraw/zinc/69/24/79/558692479.db2.gz LNXWFZVVYRAUKW-UHFFFAOYSA-N -1 0 415.540 3.693 50 0 HHAARM Cc1nc2ccc(NC(=O)c3ccc(SCC(=O)[O-])c([N+](=O)[O-])c3)cc2s1 ZINC000022204039 558779206 /nfs/dbraw/zinc/77/92/06/558779206.db2.gz JDWOIOFLGMVOHX-UHFFFAOYSA-N -1 0 403.441 3.942 50 0 HHAARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000005073384 558781578 /nfs/dbraw/zinc/78/15/78/558781578.db2.gz CESIRSTWILZTFW-HUUCEWRRSA-N -1 0 409.825 3.725 50 0 HHAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081939 558813966 /nfs/dbraw/zinc/81/39/66/558813966.db2.gz QCQKJJPWRYUPBD-HUUCEWRRSA-N -1 0 400.500 3.960 50 0 HHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017090653 558819311 /nfs/dbraw/zinc/81/93/11/558819311.db2.gz GTUFFAQCMFLGQJ-KBPBESRZSA-N -1 0 416.499 3.589 50 0 HHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017090655 558819324 /nfs/dbraw/zinc/81/93/24/558819324.db2.gz GTUFFAQCMFLGQJ-KGLIPLIRSA-N -1 0 416.499 3.589 50 0 HHAARM COC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000017091053 558819732 /nfs/dbraw/zinc/81/97/32/558819732.db2.gz VZWLXRJSRSOAOM-LLVKDONJSA-N -1 0 417.483 3.748 50 0 HHAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)sc2c1CCCC2 ZINC000018204315 558833409 /nfs/dbraw/zinc/83/34/09/558833409.db2.gz OUERDVOUECJYLU-UHFFFAOYSA-N -1 0 415.920 3.876 50 0 HHAARM CC(C)OC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1 ZINC000000841416 558835682 /nfs/dbraw/zinc/83/56/82/558835682.db2.gz IXBJNSVFPVYAIZ-XSFVSMFZSA-N -1 0 416.433 3.973 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCC1 ZINC000033077454 558868657 /nfs/dbraw/zinc/86/86/57/558868657.db2.gz YISBSUCKICYMOP-UHFFFAOYSA-N -1 0 400.500 3.575 50 0 HHAARM O=C([O-])CCn1c(/C=C\c2cc(Br)cs2)nc2ccccc2c1=O ZINC000096793755 558990753 /nfs/dbraw/zinc/99/07/53/558990753.db2.gz FNXYJDQKJYIUSI-WAYWQWQTSA-N -1 0 405.273 3.866 50 0 HHAARM O=C([O-])[C@H]1[C@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095742961 559088445 /nfs/dbraw/zinc/08/84/45/559088445.db2.gz MKGBTBHADOYGDF-VQUVXCFPSA-N -1 0 405.450 3.690 50 0 HHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1C ZINC000014201945 559156753 /nfs/dbraw/zinc/15/67/53/559156753.db2.gz QODTVCRDFYVMAO-UHFFFAOYSA-N -1 0 402.497 3.604 50 0 HHAARM CCCNC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000011695884 559189070 /nfs/dbraw/zinc/18/90/70/559189070.db2.gz XSKLKOPUZCBNQJ-UHFFFAOYSA-N -1 0 415.540 3.528 50 0 HHAARM CC(C)OCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000005017260 559228563 /nfs/dbraw/zinc/22/85/63/559228563.db2.gz MCPLHMZMXGMZEY-UHFFFAOYSA-N -1 0 400.504 3.658 50 0 HHAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1cccnc1 ZINC000005144790 559252378 /nfs/dbraw/zinc/25/23/78/559252378.db2.gz YAFJRWSTUWGTGJ-UHFFFAOYSA-N -1 0 409.515 3.720 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)s1 ZINC000005144804 559252393 /nfs/dbraw/zinc/25/23/93/559252393.db2.gz MTHHACCEEVAYFQ-UHFFFAOYSA-N -1 0 400.529 3.915 50 0 HHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000100697594 559257263 /nfs/dbraw/zinc/25/72/63/559257263.db2.gz QUOJPXDEYLEVGZ-UHFFFAOYSA-N -1 0 408.454 3.556 50 0 HHAARM CCCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c([O-])c2ccccc21 ZINC000100731733 559260248 /nfs/dbraw/zinc/26/02/48/559260248.db2.gz VZKHTRXDEONOTJ-UHFFFAOYSA-N -1 0 400.456 3.608 50 0 HHAARM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000005332527 560566566 /nfs/dbraw/zinc/56/65/66/560566566.db2.gz DGABMSZLOCFUCB-XCVCLJGOSA-N -1 0 403.460 3.735 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000005510631 560602773 /nfs/dbraw/zinc/60/27/73/560602773.db2.gz PPZCCVUBFFFPBO-UONOGXRCSA-N -1 0 402.472 3.816 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000005510628 560602777 /nfs/dbraw/zinc/60/27/77/560602777.db2.gz PPZCCVUBFFFPBO-KBPBESRZSA-N -1 0 402.472 3.816 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000005510619 560602782 /nfs/dbraw/zinc/60/27/82/560602782.db2.gz PPZCCVUBFFFPBO-KGLIPLIRSA-N -1 0 402.472 3.816 50 0 HHAARM CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1Br ZINC000001156812 560727446 /nfs/dbraw/zinc/72/74/46/560727446.db2.gz YNDUAZZNYMAYGO-UHFFFAOYSA-N -1 0 423.288 3.673 50 0 HHAARM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000012735442 560786363 /nfs/dbraw/zinc/78/63/63/560786363.db2.gz NYQRBWNJSJEWCK-UHFFFAOYSA-N -1 0 409.305 3.685 50 0 HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000101260508 560789812 /nfs/dbraw/zinc/78/98/12/560789812.db2.gz MTUIJAMFYCPSIU-SJORKVTESA-N -1 0 413.275 3.818 50 0 HHAARM O=c1c2[n-][nH]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262554 560789972 /nfs/dbraw/zinc/78/99/72/560789972.db2.gz HMUMZTSLUJAYLT-DLBZAZTESA-N -1 0 400.360 3.692 50 0 HHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)cc1C ZINC000101298484 560791174 /nfs/dbraw/zinc/79/11/74/560791174.db2.gz DFODBMRAKBKVOC-LJQANCHMSA-N -1 0 406.417 3.875 50 0 HHAARM Cc1cc(F)ccc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722292 560798818 /nfs/dbraw/zinc/79/88/18/560798818.db2.gz ZETQTWFVNNEREH-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)NC3CCCCCC3)c([O-])c3cccnc32)cc1 ZINC000101723309 560799192 /nfs/dbraw/zinc/79/91/92/560799192.db2.gz YAIPMJUBHNKSFR-UHFFFAOYSA-N -1 0 407.470 3.553 50 0 HHAARM CCCn1c2ccccc2c([O-])c(-c2nc(-c3cc(OC)ccc3OC)no2)c1=O ZINC000101725358 560799813 /nfs/dbraw/zinc/79/98/13/560799813.db2.gz NCCUZJLWUIGIDM-UHFFFAOYSA-N -1 0 407.426 3.851 50 0 HHAARM CCOc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(C)cc2)c3=O)cc1 ZINC000101803014 560802099 /nfs/dbraw/zinc/80/20/99/560802099.db2.gz VNYPIRZQVIXWCD-UHFFFAOYSA-N -1 0 403.486 3.636 50 0 HHAARM CCCCCC(=O)N(Cc1ccc(OCC)cc1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000101878055 560804267 /nfs/dbraw/zinc/80/42/67/560804267.db2.gz CCSVLVUQBFCBPY-UHFFFAOYSA-N -1 0 411.506 3.547 50 0 HHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1Cl ZINC000013340806 560804749 /nfs/dbraw/zinc/80/47/49/560804749.db2.gz JMFXRCQHELYMFE-UHFFFAOYSA-N -1 0 408.632 3.741 50 0 HHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(C)c3)cnn21 ZINC000102810957 560829355 /nfs/dbraw/zinc/82/93/55/560829355.db2.gz NVMXWRRVOHSNBG-IBGZPJMESA-N -1 0 418.453 3.826 50 0 HHAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn21 ZINC000102810784 560829364 /nfs/dbraw/zinc/82/93/64/560829364.db2.gz OTLYNYCJIVTNLR-IBGZPJMESA-N -1 0 418.453 3.744 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2ccc(F)cc2)C1 ZINC000102820643 560829564 /nfs/dbraw/zinc/82/95/64/560829564.db2.gz AAJGYRXNRAJQEI-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2ccccc2F)C1 ZINC000102820686 560829577 /nfs/dbraw/zinc/82/95/77/560829577.db2.gz WLMFDBKTFBEPAY-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2[C@@H](c2ccc(F)cc2)C1 ZINC000102901473 560835014 /nfs/dbraw/zinc/83/50/14/560835014.db2.gz HCRMISUGSBOAKM-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053628 568425400 /nfs/dbraw/zinc/42/54/00/568425400.db2.gz LRKXFHXBPZYRCT-UHFFFAOYSA-N -1 0 406.486 3.666 50 0 HHAARM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1-c1ccc2c(c1)OCO2 ZINC000095466377 568624181 /nfs/dbraw/zinc/62/41/81/568624181.db2.gz YITCRKHXKHFDTK-UHFFFAOYSA-N -1 0 405.863 3.876 50 0 HHAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc2c1CN(CCC(C)C)C2 ZINC000095466369 568624213 /nfs/dbraw/zinc/62/42/13/568624213.db2.gz PRERGANPONLQCH-UHFFFAOYSA-N -1 0 404.580 3.707 50 0 HHAARM CC(C)(C)OC(=O)c1ccsc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000225390126 568633529 /nfs/dbraw/zinc/63/35/29/568633529.db2.gz BHHXQCZOFLFJRN-UHFFFAOYSA-N -1 0 423.491 3.829 50 0 HHAARM O=S(=O)([N-]c1c[nH]cn1)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000225392330 568633813 /nfs/dbraw/zinc/63/38/13/568633813.db2.gz QBRTUYYWYSUWIE-UHFFFAOYSA-N -1 0 412.240 3.904 50 0 HHAARM CN(C)c1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)cc2)o1 ZINC000225531050 568647884 /nfs/dbraw/zinc/64/78/84/568647884.db2.gz WGBAQBBRQYRTRP-UHFFFAOYSA-N -1 0 413.286 3.910 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)n1C ZINC000021155806 568673524 /nfs/dbraw/zinc/67/35/24/568673524.db2.gz WKGZGFKUJJTUOS-UHFFFAOYSA-N -1 0 423.966 3.968 50 0 HHAARM COC(=O)C[C@H](c1cccnc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116014 568695437 /nfs/dbraw/zinc/69/54/37/568695437.db2.gz GMVRIJJLAPPBCU-MRXNPFEDSA-N -1 0 417.417 3.961 50 0 biogenic HHAARM CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118180 568697775 /nfs/dbraw/zinc/69/77/75/568697775.db2.gz NCUWQEGFHQDSOK-HOCLYGCPSA-N -1 0 401.488 3.891 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012420880 568720516 /nfs/dbraw/zinc/72/05/16/568720516.db2.gz QRPHNOSYIOLKJL-NRFANRHFSA-N -1 0 418.453 3.571 50 0 HHAARM O=C([O-])[C@H](Cn1cc(Cl)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685939845 568722238 /nfs/dbraw/zinc/72/22/38/568722238.db2.gz COAZNNHPIIKAGL-IBGZPJMESA-N -1 0 411.845 3.528 50 0 HHAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361059 568739009 /nfs/dbraw/zinc/73/90/09/568739009.db2.gz DDOPTCITJDQWIB-UHFFFAOYSA-N -1 0 411.270 3.770 50 0 HHAARM Cc1ccc(F)c(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000096361240 568739192 /nfs/dbraw/zinc/73/91/92/568739192.db2.gz VUAYGDMTYVMTGG-UHFFFAOYSA-N -1 0 408.842 3.564 50 0 HHAARM O=C([O-])CCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000097165285 568769583 /nfs/dbraw/zinc/76/95/83/568769583.db2.gz OQLWCMPOFPGWOU-OAHLLOKOSA-N -1 0 405.248 3.975 50 0 HHAARM CCN1CCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577408 568770098 /nfs/dbraw/zinc/77/00/98/568770098.db2.gz JDIJNMKYHWFZTI-HNNXBMFYSA-N -1 0 415.544 3.545 50 0 HHAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc2ccc(C)cc2s1 ZINC000028248026 568783501 /nfs/dbraw/zinc/78/35/01/568783501.db2.gz MEKDBQHQVNRNFB-UHFFFAOYSA-N -1 0 405.501 3.763 50 0 HHAARM COc1cccc(CNC(=O)CCCCn2c(=O)c3sccc3[n-]c2=S)c1 ZINC000002925478 568817352 /nfs/dbraw/zinc/81/73/52/568817352.db2.gz FFGVNKKEPLTOQY-UHFFFAOYSA-N -1 0 403.529 3.616 50 0 HHAARM CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)cc1OCCC ZINC000005950394 568831691 /nfs/dbraw/zinc/83/16/91/568831691.db2.gz XRDXWHQDXHGMIS-QVKFZJNVSA-N -1 0 407.507 3.843 50 0 HHAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000029795554 568832302 /nfs/dbraw/zinc/83/23/02/568832302.db2.gz XGZSHXCSUCYBGE-UHFFFAOYSA-N -1 0 423.416 3.664 50 0 HHAARM CC(NCc1cccc(C)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000006025373 568835707 /nfs/dbraw/zinc/83/57/07/568835707.db2.gz VWZXNIABQRSLFC-GHRIWEEISA-N -1 0 417.387 3.660 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCCCCC2)c1 ZINC000012526194 568843058 /nfs/dbraw/zinc/84/30/58/568843058.db2.gz UBHIXJSIBCTCPE-UHFFFAOYSA-N -1 0 402.516 3.902 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1C ZINC000003214843 568846905 /nfs/dbraw/zinc/84/69/05/568846905.db2.gz QGUQVIPHZVZWGD-UHFFFAOYSA-N -1 0 424.522 3.777 50 0 HHAARM Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000003249075 568867571 /nfs/dbraw/zinc/86/75/71/568867571.db2.gz OCGUKINEHLXDOF-UHFFFAOYSA-N -1 0 412.315 3.654 50 0 HHAARM O=C(Nc1ccc(F)c(Cl)c1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628068 568881597 /nfs/dbraw/zinc/88/15/97/568881597.db2.gz SJOGKGFHYKQQRD-UHFFFAOYSA-N -1 0 411.867 3.989 50 0 HHAARM O=S(=O)([N-]c1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(Cl)cc1 ZINC000002777780 568922279 /nfs/dbraw/zinc/92/22/79/568922279.db2.gz JUQRQXHHDRSRIW-UHFFFAOYSA-N -1 0 401.250 3.573 50 0 HHAARM Cc1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)n1 ZINC000012742353 568929316 /nfs/dbraw/zinc/92/93/16/568929316.db2.gz IKXIVMHTYBEAKQ-UHFFFAOYSA-N -1 0 405.476 3.952 50 0 HHAARM Cc1ccccc1OCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000004017270 568933702 /nfs/dbraw/zinc/93/37/02/568933702.db2.gz UVUWJOWQHICLOX-UHFFFAOYSA-N -1 0 404.422 3.712 50 0 HHAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000004084605 568939851 /nfs/dbraw/zinc/93/98/51/568939851.db2.gz HKBBCTFGRGLIEL-UHFFFAOYSA-N -1 0 410.857 3.843 50 0 biogenic HHAARM CSCC[C@H](NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)[O-] ZINC000004084493 568939922 /nfs/dbraw/zinc/93/99/22/568939922.db2.gz VIVDMJWWDJICGS-KRWDZBQOSA-N -1 0 412.467 3.788 50 0 biogenic HHAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[n-]c2=O)cc1 ZINC000004317398 568962607 /nfs/dbraw/zinc/96/26/07/568962607.db2.gz VZYJKLAVSORLQO-UHFFFAOYSA-N -1 0 410.499 3.524 50 0 HHAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000004317341 568962705 /nfs/dbraw/zinc/96/27/05/568962705.db2.gz FYTZCIJHCBMHRK-UHFFFAOYSA-N -1 0 410.499 3.606 50 0 HHAARM COC(=O)c1ccccc1S(=O)(=O)Oc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000007988241 568965778 /nfs/dbraw/zinc/96/57/78/568965778.db2.gz MSUFBAXUJZKTLW-UHFFFAOYSA-N -1 0 412.419 3.606 50 0 HHAARM CCc1cccc(NC(=O)CSc2[n-]c3ccc(C)cc3c(=O)c2C(=O)OC)c1 ZINC000015731521 568982054 /nfs/dbraw/zinc/98/20/54/568982054.db2.gz ULJWADJHBSKDBX-UHFFFAOYSA-N -1 0 410.495 3.916 50 0 HHAARM CC(=O)Nc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)ccc1[O-] ZINC000008252072 568985331 /nfs/dbraw/zinc/98/53/31/568985331.db2.gz ABCBTCBKHDDFAY-UHFFFAOYSA-N -1 0 414.512 3.981 50 0 HHAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000063665816 569000956 /nfs/dbraw/zinc/00/09/56/569000956.db2.gz JMFKQVUIFHXPEK-UHFFFAOYSA-N -1 0 412.533 3.928 50 0 HHAARM COc1ccc(C)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000015782026 569002833 /nfs/dbraw/zinc/00/28/33/569002833.db2.gz VIOAUTSLGQWOJS-KRWDZBQOSA-N -1 0 414.458 3.627 50 0 HHAARM Cc1ccc(Nc2[n-]n3c(nc(C)cc3=O)c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000085942325 569009953 /nfs/dbraw/zinc/00/99/53/569009953.db2.gz YZZOZGDTPBTLEV-UHFFFAOYSA-N -1 0 408.483 3.937 50 0 HHAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016249218 569030311 /nfs/dbraw/zinc/03/03/11/569030311.db2.gz GLKGOUHCBWIKOZ-UHFFFAOYSA-N -1 0 423.825 3.537 50 0 HHAARM CCCCN(C)c1ncc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000035397248 569034751 /nfs/dbraw/zinc/03/47/51/569034751.db2.gz IWBHAMFWAWHEDM-UHFFFAOYSA-N -1 0 405.520 3.742 50 0 HHAARM O=C([O-])CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006322903 569043234 /nfs/dbraw/zinc/04/32/34/569043234.db2.gz QRQMYTRFGLDKLL-UHFFFAOYSA-N -1 0 407.797 3.634 50 0 HHAARM C/C=C/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000006178367 569061016 /nfs/dbraw/zinc/06/10/16/569061016.db2.gz OQLOCIITCVBXLY-YTXTXJHMSA-N -1 0 402.472 3.575 50 0 HHAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1 ZINC000100662859 569069843 /nfs/dbraw/zinc/06/98/43/569069843.db2.gz PJNDYLLWJBSWLI-UHFFFAOYSA-N -1 0 420.465 3.863 50 0 biogenic HHAARM CCC(=O)Nc1ccccc1-c1nnc(SCCOc2ccc(F)cc2)[n-]c1=O ZINC000064774706 569093376 /nfs/dbraw/zinc/09/33/76/569093376.db2.gz NOMQWFATIMSMKJ-UHFFFAOYSA-N -1 0 414.462 3.903 50 0 HHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064798143 569096672 /nfs/dbraw/zinc/09/66/72/569096672.db2.gz WRMWZIGEJAJRRV-OAHLLOKOSA-N -1 0 413.476 3.753 50 0 HHAARM Cc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)c1 ZINC000006778440 569118903 /nfs/dbraw/zinc/11/89/03/569118903.db2.gz LXFWAUPDPTXAOR-UHFFFAOYSA-N -1 0 402.501 3.516 50 0 HHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)s2)o1 ZINC000064920115 569121060 /nfs/dbraw/zinc/12/10/60/569121060.db2.gz PPTIYCGYJZIWRR-UHFFFAOYSA-N -1 0 400.279 3.670 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1 ZINC000064920518 569121110 /nfs/dbraw/zinc/12/11/10/569121110.db2.gz OIXSONSQRHUBNQ-UHFFFAOYSA-N -1 0 421.500 3.884 50 0 HHAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004145 569152322 /nfs/dbraw/zinc/15/23/22/569152322.db2.gz OHSXKOCXVACQAT-UHFFFAOYSA-N -1 0 404.469 3.853 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc(OC)c1OC ZINC000065031290 569157344 /nfs/dbraw/zinc/15/73/44/569157344.db2.gz UXYXXDUGRUOUGT-UHFFFAOYSA-N -1 0 424.500 3.847 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000065186552 569192167 /nfs/dbraw/zinc/19/21/67/569192167.db2.gz GTOZTUBLVSRGIS-UHFFFAOYSA-N -1 0 400.504 3.987 50 0 HHAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1C ZINC000065194599 569192774 /nfs/dbraw/zinc/19/27/74/569192774.db2.gz TTXYLTNFVKOXMN-UHFFFAOYSA-N -1 0 416.503 3.862 50 0 HHAARM CCc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1 ZINC000065196270 569194631 /nfs/dbraw/zinc/19/46/31/569194631.db2.gz ABHWDTSDUUIIGO-UHFFFAOYSA-N -1 0 404.557 3.796 50 0 HHAARM O=S(=O)([N-]c1cncnc1-n1cccn1)c1ccc2c(Cl)ccc(Cl)c2c1 ZINC000170596535 569242024 /nfs/dbraw/zinc/24/20/24/569242024.db2.gz JXOKRDVNDSJFTO-UHFFFAOYSA-N -1 0 420.281 3.923 50 0 HHAARM CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000071283039 569251881 /nfs/dbraw/zinc/25/18/81/569251881.db2.gz IEJRQCWCBLSRPZ-HNNXBMFYSA-N -1 0 423.425 3.836 50 0 HHAARM C[C@@H](Sc1ccc(NC(=O)CCC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013579154 569256342 /nfs/dbraw/zinc/25/63/42/569256342.db2.gz RZHQKPXMWBHQBL-LSDHHAIUSA-N -1 0 412.511 3.948 50 0 HHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000016837488 569263767 /nfs/dbraw/zinc/26/37/67/569263767.db2.gz CMRHARJIPXXVNW-UHFFFAOYSA-N -1 0 408.907 3.839 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000017135677 569275341 /nfs/dbraw/zinc/27/53/41/569275341.db2.gz DEGSEJAGLLKXCD-UHFFFAOYSA-N -1 0 411.483 3.760 50 0 HHAARM CC1(C)Cc2c(sc3nc(SCCC(=O)[O-])n(-c4ccccc4)c(=O)c23)CO1 ZINC000002274538 569327585 /nfs/dbraw/zinc/32/75/85/569327585.db2.gz HMYBVMMAFNIIEW-UHFFFAOYSA-N -1 0 416.524 3.865 50 0 HHAARM CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-] ZINC000034059939 569351532 /nfs/dbraw/zinc/35/15/32/569351532.db2.gz PYNXFZCZUAOOQC-LAUBAEHRSA-N -1 0 411.498 3.835 50 0 HHAARM O=C([O-])CCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000002344409 569376604 /nfs/dbraw/zinc/37/66/04/569376604.db2.gz CPIYMYCVLKAFBT-KRWDZBQOSA-N -1 0 423.860 3.791 50 0 HHAARM COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253470698 569380995 /nfs/dbraw/zinc/38/09/95/569380995.db2.gz ACUPLWLOPLHQRK-INIZCTEOSA-N -1 0 413.401 3.668 50 0 HHAARM COc1ccc([C@H](CC(=O)Nc2cccc(OC)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470791 569381069 /nfs/dbraw/zinc/38/10/69/569381069.db2.gz DSFDLACOASROGJ-IBGZPJMESA-N -1 0 409.438 3.832 50 0 HHAARM CC(C)[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000007786638 569389121 /nfs/dbraw/zinc/38/91/21/569389121.db2.gz JCOOAIDZWFXAFQ-MRXNPFEDSA-N -1 0 401.513 3.676 50 0 HHAARM O=C([O-])c1ccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000013424243 569413846 /nfs/dbraw/zinc/41/38/46/569413846.db2.gz HGYVSQURJMISMN-AQTBWJFISA-N -1 0 409.401 3.577 50 0 HHAARM CCN1c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009166141 571232749 /nfs/dbraw/zinc/23/27/49/571232749.db2.gz QKGQMRBGQVDQHR-UHFFFAOYSA-N -1 0 408.907 3.912 50 0 HHAARM Cc1sc2[nH]c(SCC(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)nc(=O)c2c1C ZINC000009186360 571234888 /nfs/dbraw/zinc/23/48/88/571234888.db2.gz HOWQCAUYORZQFB-UHFFFAOYSA-N -1 0 423.903 3.684 50 0 HHAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccccc1 ZINC000009300205 571245951 /nfs/dbraw/zinc/24/59/51/571245951.db2.gz NNZJZCKOEPDUFM-UHFFFAOYSA-N -1 0 402.859 3.699 50 0 HHAARM COc1ccc2c(C)nc([N-]c3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc2c1 ZINC000009411226 571255874 /nfs/dbraw/zinc/25/58/74/571255874.db2.gz QDXZXBFJGVXZBD-CYBMUJFWSA-N -1 0 401.426 3.986 50 0 HHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009495226 571263106 /nfs/dbraw/zinc/26/31/06/571263106.db2.gz OWWVPXGXLHNANH-UHFFFAOYSA-N -1 0 419.824 3.990 50 0 HHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000009646343 571276371 /nfs/dbraw/zinc/27/63/71/571276371.db2.gz QNDIMLDZOJWAJW-UHFFFAOYSA-N -1 0 407.469 3.506 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCCC3=CCCCC3)cs2)cc1 ZINC000009828564 571286778 /nfs/dbraw/zinc/28/67/78/571286778.db2.gz IQELJYMENAILOZ-UHFFFAOYSA-N -1 0 419.572 3.802 50 0 HHAARM O=C(CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009885585 571289590 /nfs/dbraw/zinc/28/95/90/571289590.db2.gz URUQLGBOZSXDMQ-UHFFFAOYSA-N -1 0 421.525 3.607 50 0 HHAARM Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000064450477 571310451 /nfs/dbraw/zinc/31/04/51/571310451.db2.gz SNZILYKOMOZGCQ-UHFFFAOYSA-N -1 0 412.496 4.278 50 0 HHAARM O=C1[N-]C(=O)[C@@](CCc2ccncc2)(Cc2cccs2)C(=O)N1c1ccccc1F ZINC000001131067 960458887 /nfs/dbraw/zinc/45/88/87/960458887.db2.gz UAVMQYLJECCFPH-JOCHJYFZSA-N -1 0 423.469 3.931 50 0 HHAARM C/C=C/C=C\C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1OC ZINC000096652883 969050452 /nfs/dbraw/zinc/05/04/52/969050452.db2.gz YHXJWNSJGHOAAD-QTJNYWJXSA-N -1 0 402.472 3.575 50 0 HHAARM Cc1nc(COc2ccc(/C=C/C(=O)N3CCCC[C@@H]3CC(=O)[O-])cc2)cs1 ZINC000170593185 970492373 /nfs/dbraw/zinc/49/23/73/970492373.db2.gz XZBXWMKJGSRIIT-RUJXFNLJSA-N -1 0 400.500 3.900 50 0 HHAARM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000170592067 970492774 /nfs/dbraw/zinc/49/27/74/970492774.db2.gz KGVMFRXLHIABJU-AFRXXKALSA-N -1 0 410.445 3.947 50 0 HHAARM O=[N+]([O-])c1cc(S(=O)(=O)NN=Cc2cc(Cl)cc(Cl)c2[O-])ccc1Cl ZINC000254875771 970582939 /nfs/dbraw/zinc/58/29/39/970582939.db2.gz IYIWRTGEYDXVCI-UHFFFAOYSA-N -1 0 424.649 3.573 50 0 HHAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000004661630 132281462 /nfs/dbraw/zinc/28/14/62/132281462.db2.gz XPFKIOIITQCARG-VXKWHMMOSA-N -1 0 419.525 3.927 50 0 HHAARM C[C@H](NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)C1CC1 ZINC000032778467 524978572 /nfs/dbraw/zinc/97/85/72/524978572.db2.gz FWXVFSWDXYMXCJ-LURJTMIESA-N -1 0 405.332 3.619 50 0 HHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCCCCC1 ZINC000032962109 526352615 /nfs/dbraw/zinc/35/26/15/526352615.db2.gz MAGRPCJHNICQBB-UHFFFAOYSA-N -1 0 410.442 3.844 50 0 HHAARM O=C([O-])c1ccc(CNC(=O)CCn2ccc3c2cccc3Br)cc1 ZINC000040283078 526365821 /nfs/dbraw/zinc/36/58/21/526365821.db2.gz BZJXZVXLJWHBKR-UHFFFAOYSA-N -1 0 401.260 3.809 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000000639763 557031894 /nfs/dbraw/zinc/03/18/94/557031894.db2.gz BSEDHFAJENKHDJ-UHFFFAOYSA-N -1 0 402.516 3.949 50 0 HHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CCC4)c1 ZINC000000816396 557091042 /nfs/dbraw/zinc/09/10/42/557091042.db2.gz AIPCQWNZIUQADU-UHFFFAOYSA-N -1 0 401.440 3.770 50 0 HHAARM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3n2)cc1OC ZINC000000848629 557100120 /nfs/dbraw/zinc/10/01/20/557100120.db2.gz FMHAKAVUCNNDMV-UHFFFAOYSA-N -1 0 401.728 3.784 50 0 HHAARM Cc1cccc(C)c1NC(=O)CSc1nc([O-])c(C)c(=O)n1-c1ccc(F)cc1 ZINC000001101512 557179538 /nfs/dbraw/zinc/17/95/38/557179538.db2.gz HMEGXBYWNFGAHW-UHFFFAOYSA-N -1 0 413.474 3.733 50 0 HHAARM Cc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000001163923 557219635 /nfs/dbraw/zinc/21/96/35/557219635.db2.gz SPRXWOJMYRDJQP-UHFFFAOYSA-N -1 0 404.422 3.963 50 0 HHAARM CCSc1nnc2c(n1)O[C@H](c1ccccc1OCC(=O)[O-])Nc1ccccc1-2 ZINC000001190640 557236142 /nfs/dbraw/zinc/23/61/42/557236142.db2.gz GZASEYTTXJWHAO-GOSISDBHSA-N -1 0 410.455 3.617 50 0 HHAARM CCOc1ccc(NC(=S)N2[C@H](C(=O)[O-])Cc3[nH]cnc3[C@@H]2c2ccccc2)cc1 ZINC000022628249 557271422 /nfs/dbraw/zinc/27/14/22/557271422.db2.gz XZAMAKCMQACMRJ-ICSRJNTNSA-N -1 0 422.510 3.606 50 0 HHAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000002050507 557300891 /nfs/dbraw/zinc/30/08/91/557300891.db2.gz RWKYHDHJKASDIC-SFHVURJKSA-N -1 0 423.416 3.878 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002554989 557355947 /nfs/dbraw/zinc/35/59/47/557355947.db2.gz NHLRMCFWGFPSLT-IBGZPJMESA-N -1 0 411.454 3.710 50 0 HHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000002739066 557375123 /nfs/dbraw/zinc/37/51/23/557375123.db2.gz XPQRTZDIRPPNBW-FGZHOGPDSA-N -1 0 406.526 3.811 50 0 HHAARM Cc1cc(F)ccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002857746 557408218 /nfs/dbraw/zinc/40/82/18/557408218.db2.gz VDKRSOCBUQHXNY-UHFFFAOYSA-N -1 0 417.491 3.534 50 0 HHAARM COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000002998480 557439153 /nfs/dbraw/zinc/43/91/53/557439153.db2.gz XVBKJSXSFQISHJ-MFOYZWKCSA-N -1 0 417.414 3.534 50 0 HHAARM CCCOc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)cc1 ZINC000034763785 557461102 /nfs/dbraw/zinc/46/11/02/557461102.db2.gz FEWLEAOSIORXSA-INIZCTEOSA-N -1 0 406.486 3.843 50 0 HHAARM CC(C)CNC(=O)CCc1nnc(-c2cccc(OCc3ccccc3)c2)[n-]c1=O ZINC000034764522 557461610 /nfs/dbraw/zinc/46/16/10/557461610.db2.gz PNHKZQQQWYYEIT-UHFFFAOYSA-N -1 0 406.486 3.528 50 0 HHAARM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004411693 557552762 /nfs/dbraw/zinc/55/27/62/557552762.db2.gz ZVDIEVXFWAWPDC-AWEZNQCLSA-N -1 0 417.512 3.658 50 0 HHAARM CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000004673408 557579928 /nfs/dbraw/zinc/57/99/28/557579928.db2.gz GOZGIDCOOCPNFX-CXUHLZMHSA-N -1 0 415.423 3.553 50 0 HHAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000004944997 557615947 /nfs/dbraw/zinc/61/59/47/557615947.db2.gz MWRAXGBRLOCOKF-UHFFFAOYSA-N -1 0 415.471 3.825 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002760361 557758400 /nfs/dbraw/zinc/75/84/00/557758400.db2.gz BSPMLFLFBDUHPG-UONOGXRCSA-N -1 0 400.456 3.592 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002760363 557758439 /nfs/dbraw/zinc/75/84/39/557758439.db2.gz BSPMLFLFBDUHPG-KBPBESRZSA-N -1 0 400.456 3.592 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(COc3ccc(Br)cc3)c2)cc1 ZINC000002804339 557763297 /nfs/dbraw/zinc/76/32/97/557763297.db2.gz BOTYEOVNUJFEQJ-UHFFFAOYSA-N -1 0 422.304 3.791 50 0 HHAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc(-c2ccccc2)on1)CC[C@H](C)C3 ZINC000002797099 557765634 /nfs/dbraw/zinc/76/56/34/557765634.db2.gz UMXMZVXEMFGCLJ-LBPRGKRZSA-N -1 0 420.494 3.930 50 0 HHAARM COc1ccccc1CNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002970332 557775161 /nfs/dbraw/zinc/77/51/61/557775161.db2.gz XLDLJIOHPDYOKG-UHFFFAOYSA-N -1 0 411.527 3.944 50 0 HHAARM COc1ccc(OC)c(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)[O-])c2)c1 ZINC000008667497 557799426 /nfs/dbraw/zinc/79/94/26/557799426.db2.gz IWBQOZSUOFSKET-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM O=C([O-])CNC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000009422106 557842489 /nfs/dbraw/zinc/84/24/89/557842489.db2.gz PQROGMQNTCKCNK-UHFFFAOYSA-N -1 0 411.889 3.526 50 0 HHAARM CCCOc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000011613983 558264615 /nfs/dbraw/zinc/26/46/15/558264615.db2.gz OFOYKAQTZIHFKT-UHFFFAOYSA-N -1 0 414.277 3.737 50 0 HHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2cccc(Br)c2)C1=O ZINC000019765841 558278114 /nfs/dbraw/zinc/27/81/14/558278114.db2.gz DSAMXEIKHRKNID-CQSZACIVSA-N -1 0 406.257 3.572 50 0 HHAARM Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000021089798 558431069 /nfs/dbraw/zinc/43/10/69/558431069.db2.gz HVGMNILLZHMPSR-LJQANCHMSA-N -1 0 403.442 3.521 50 0 HHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(Nc2ccccc2)n1 ZINC000012630439 558441617 /nfs/dbraw/zinc/44/16/17/558441617.db2.gz VBFHDGSMNYUDSJ-UHFFFAOYSA-N -1 0 403.485 3.615 50 0 HHAARM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013071838 558511619 /nfs/dbraw/zinc/51/16/19/558511619.db2.gz OSVCUYNXBJJHQC-UHFFFAOYSA-N -1 0 400.422 3.892 50 0 HHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1csc(-c2ccccc2)n1 ZINC000013235031 558527678 /nfs/dbraw/zinc/52/76/78/558527678.db2.gz YBFVGABXFSTKTR-LJQANCHMSA-N -1 0 420.494 3.787 50 0 HHAARM O=C(Nc1cc(=O)nc2[n-]c(Cc3ccccc3)nn21)c1ccc(Cl)cc1Cl ZINC000013555197 558540150 /nfs/dbraw/zinc/54/01/50/558540150.db2.gz ZOUHXWAUCNWBOU-UHFFFAOYSA-N -1 0 414.252 3.980 50 0 HHAARM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000023394266 558556507 /nfs/dbraw/zinc/55/65/07/558556507.db2.gz RTTNOZYCFJCSOQ-UHFFFAOYSA-N -1 0 416.421 3.868 50 0 HHAARM O=C([O-])c1ccc(N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000023466400 558558956 /nfs/dbraw/zinc/55/89/56/558558956.db2.gz ZJVYJNNVNPRCCY-FQEVSTJZSA-N -1 0 402.406 3.921 50 0 HHAARM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1c(=O)c2ccccc2[n-]c1=S)CC3 ZINC000025545071 558643340 /nfs/dbraw/zinc/64/33/40/558643340.db2.gz UEFVBBJLGQDOMI-UHFFFAOYSA-N -1 0 418.522 3.824 50 0 HHAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)c1ccccc1 ZINC000014632649 558662474 /nfs/dbraw/zinc/66/24/74/558662474.db2.gz UPEAXWJZGLFDFI-YADHBBJMSA-N -1 0 403.434 3.712 50 0 HHAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000030822668 558739159 /nfs/dbraw/zinc/73/91/59/558739159.db2.gz USGCXHFGSJOWIS-AZUAARDMSA-N -1 0 403.862 3.540 50 0 HHAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1CSc1nc2ccccc2o1 ZINC000004577209 558752049 /nfs/dbraw/zinc/75/20/49/558752049.db2.gz HHJMIFAGHMJTAL-RHSMWYFYSA-N -1 0 402.497 3.917 50 0 HHAARM COc1ccc(OC)c(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(Br)cc2)c1 ZINC000016115884 558772638 /nfs/dbraw/zinc/77/26/38/558772638.db2.gz CKXTYOOQMQXOLQ-CYBMUJFWSA-N -1 0 422.275 3.738 50 0 HHAARM C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000016122265 558772888 /nfs/dbraw/zinc/77/28/88/558772888.db2.gz QILGDVBYUVAHSX-KBPBESRZSA-N -1 0 414.574 3.501 50 0 HHAARM COc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000036293788 558798973 /nfs/dbraw/zinc/79/89/73/558798973.db2.gz SQSVKGCKTUPPME-UHFFFAOYSA-N -1 0 413.451 3.664 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000017082924 558815400 /nfs/dbraw/zinc/81/54/00/558815400.db2.gz QDVGFMMSWZDTEO-SNPRPXQTSA-N -1 0 404.532 3.748 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017087459 558816333 /nfs/dbraw/zinc/81/63/33/558816333.db2.gz BMWHUZSKPRUPHD-GFCCVEGCSA-N -1 0 406.548 3.985 50 0 HHAARM O=c1c2c([n-]n1-c1ccccc1)[nH]c(CSc1nc3ccccc3s1)cc2=O ZINC000018222209 558833979 /nfs/dbraw/zinc/83/39/79/558833979.db2.gz UFFCSXOLRAKGEI-UHFFFAOYSA-N -1 0 406.492 3.909 50 0 HHAARM Cc1[n-]n2c(nc(CSc3nnnn3-c3ccccc3)cc2=O)c1-c1ccccc1 ZINC000018222970 558834094 /nfs/dbraw/zinc/83/40/94/558834094.db2.gz UQPPROYMTLQZOH-UHFFFAOYSA-N -1 0 415.482 3.678 50 0 HHAARM CCOCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000004599232 558835076 /nfs/dbraw/zinc/83/50/76/558835076.db2.gz VBVOZXRIKNTSEU-RLFYNMQTSA-N -1 0 417.575 3.666 50 0 HHAARM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651254 558869528 /nfs/dbraw/zinc/86/95/28/558869528.db2.gz CDIORBZSJUAOPQ-QZTJIDSGSA-N -1 0 419.474 3.647 50 0 HHAARM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000058115582 558900009 /nfs/dbraw/zinc/90/00/09/558900009.db2.gz HEWRZSWSWVSRTN-UHFFFAOYSA-N -1 0 405.806 3.837 50 0 HHAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 ZINC000071589485 558905662 /nfs/dbraw/zinc/90/56/62/558905662.db2.gz GXFCBKULRJZZAK-UHFFFAOYSA-N -1 0 419.499 3.634 50 0 HHAARM O=C1N(C2CCCCC2)C(c2ccccc2)=N[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000064370012 558962891 /nfs/dbraw/zinc/96/28/91/558962891.db2.gz IQMJCNQRAJWRLN-IBGZPJMESA-N -1 0 403.408 3.769 50 0 HHAARM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cc(-c2cccnc2)[nH]n1 ZINC000079108575 559015540 /nfs/dbraw/zinc/01/55/40/559015540.db2.gz CJQKRAYVADLEGK-UHFFFAOYSA-N -1 0 407.293 3.652 50 0 HHAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000033306477 559051670 /nfs/dbraw/zinc/05/16/70/559051670.db2.gz GUTPSCDRTKNKHI-CSKARUKUSA-N -1 0 403.485 3.974 50 0 HHAARM CCOc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Br)c1OCC(=O)[O-] ZINC000033311343 559054409 /nfs/dbraw/zinc/05/44/09/559054409.db2.gz GCTUZHYKEOFELC-NTUHNPAUSA-N -1 0 418.243 3.804 50 0 HHAARM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000060800486 559067706 /nfs/dbraw/zinc/06/77/06/559067706.db2.gz YJKXIEAQRQERFI-UHFFFAOYSA-N -1 0 408.451 3.618 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)NC2CCCCC2)c1 ZINC000004865350 559193722 /nfs/dbraw/zinc/19/37/22/559193722.db2.gz ATEOMAOQRCKMGY-UHFFFAOYSA-N -1 0 403.504 3.950 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N4CCCC4)c3=O)c2c1 ZINC000004950532 559215731 /nfs/dbraw/zinc/21/57/31/559215731.db2.gz INKTUZMCQPHISM-UHFFFAOYSA-N -1 0 414.531 3.732 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866799 559264355 /nfs/dbraw/zinc/26/43/55/559264355.db2.gz DJTNPIMWQHAAEA-RCDCFZSISA-N -1 0 417.502 3.827 50 0 HHAARM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1 ZINC000000790963 559279525 /nfs/dbraw/zinc/27/95/25/559279525.db2.gz HZJOTMGHVSUQHR-UHFFFAOYSA-N -1 0 411.483 3.517 50 0 HHAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000005392677 560583032 /nfs/dbraw/zinc/58/30/32/560583032.db2.gz WZYZENRAGSIGGX-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000639875 560724914 /nfs/dbraw/zinc/72/49/14/560724914.db2.gz ZNALTCQPBVJUKJ-GFCCVEGCSA-N -1 0 411.321 3.778 50 0 HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000101260510 560789784 /nfs/dbraw/zinc/78/97/84/560789784.db2.gz MTUIJAMFYCPSIU-DLBZAZTESA-N -1 0 413.275 3.818 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000101260589 560789822 /nfs/dbraw/zinc/78/98/22/560789822.db2.gz WUCLKLRJAOLQEK-HOTGVXAUSA-N -1 0 417.238 3.703 50 0 HHAARM CCOc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722373 560798817 /nfs/dbraw/zinc/79/88/17/560798817.db2.gz PBGPWHXCWLQBPK-UHFFFAOYSA-N -1 0 419.412 3.881 50 0 HHAARM O=C(Nc1cc(F)cc(F)c1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722332 560798827 /nfs/dbraw/zinc/79/88/27/560798827.db2.gz HSMJQWMQWONUHF-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM Cc1ccc(F)cc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722290 560798833 /nfs/dbraw/zinc/79/88/33/560798833.db2.gz GINGRVIZBWBIJQ-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM C[C@H](NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O)c1ccccc1 ZINC000101722580 560798946 /nfs/dbraw/zinc/79/89/46/560798946.db2.gz YDZOYILFWQLNCP-AWEZNQCLSA-N -1 0 403.413 3.721 50 0 HHAARM CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101767193 560799932 /nfs/dbraw/zinc/79/99/32/560799932.db2.gz JWWDYKFSEHPDFJ-GOSISDBHSA-N -1 0 423.494 3.536 50 0 HHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(Br)cc3)c2=O)n1 ZINC000101832721 560802996 /nfs/dbraw/zinc/80/29/96/560802996.db2.gz XMXVFZYUUTXVCC-UHFFFAOYSA-N -1 0 421.320 3.985 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@H](/C=C/c2ccccc2)C1 ZINC000101835488 560803310 /nfs/dbraw/zinc/80/33/10/560803310.db2.gz IFZRBYSXYMUILD-OAGJVSPASA-N -1 0 404.401 3.923 50 0 HHAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn21 ZINC000102810781 560829383 /nfs/dbraw/zinc/82/93/83/560829383.db2.gz OTLYNYCJIVTNLR-LJQANCHMSA-N -1 0 418.453 3.744 50 0 HHAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101301819 560851405 /nfs/dbraw/zinc/85/14/05/560851405.db2.gz AJIWJYDBPPIOCM-UHFFFAOYSA-N -1 0 415.449 3.720 50 0 HHAARM CN1C(=O)N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139953 560890080 /nfs/dbraw/zinc/89/00/80/560890080.db2.gz HKYOQLBETOAUGB-WOSRLPQWSA-N -1 0 418.824 3.848 50 0 HHAARM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1 ZINC000000792987 568480427 /nfs/dbraw/zinc/48/04/27/568480427.db2.gz HWYRCKMZKKYIKE-UHFFFAOYSA-N -1 0 414.414 3.577 50 0 HHAARM COc1ccc(-c2cc(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)n[nH]2)cc1 ZINC000095463905 568622304 /nfs/dbraw/zinc/62/23/04/568622304.db2.gz LXLPMADQLUAVFK-UHFFFAOYSA-N -1 0 417.421 3.954 50 0 HHAARM CCOc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000020532747 568628241 /nfs/dbraw/zinc/62/82/41/568628241.db2.gz GXUKDWLXQNUQCY-UHFFFAOYSA-N -1 0 415.446 3.673 50 0 HHAARM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)c1 ZINC000095481634 568633609 /nfs/dbraw/zinc/63/36/09/568633609.db2.gz AUZNTGDPBBVICE-UHFFFAOYSA-N -1 0 414.270 3.531 50 0 HHAARM O=S(=O)([N-]c1nncn1Cc1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000225495333 568643378 /nfs/dbraw/zinc/64/33/78/568643378.db2.gz FWBRPQYWGGNAIV-UHFFFAOYSA-N -1 0 401.250 3.573 50 0 HHAARM O=S(=O)([N-]c1cc(-c2ccncc2)[nH]n1)c1cc(Cl)ccc1Br ZINC000225531088 568647869 /nfs/dbraw/zinc/64/78/69/568647869.db2.gz WRKKLHNBBIVOQG-UHFFFAOYSA-N -1 0 413.684 3.688 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)n1C ZINC000020989975 568655553 /nfs/dbraw/zinc/65/55/53/568655553.db2.gz BIAYRJOVGWOSMM-UHFFFAOYSA-N -1 0 421.538 3.906 50 0 HHAARM CCc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000021030253 568659179 /nfs/dbraw/zinc/65/91/79/568659179.db2.gz GQELGNIZBZMROZ-UHFFFAOYSA-N -1 0 417.575 3.877 50 0 HHAARM Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])sc2nc(C3CC3)nc(C)c12 ZINC000095969920 568671354 /nfs/dbraw/zinc/67/13/54/568671354.db2.gz QSWURTXOGOEHHI-INIZCTEOSA-N -1 0 407.495 3.837 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)n1C ZINC000021154174 568673027 /nfs/dbraw/zinc/67/30/27/568673027.db2.gz OFSWCSAGKRJZHB-UHFFFAOYSA-N -1 0 407.511 3.516 50 0 HHAARM CCOc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012406880 568711647 /nfs/dbraw/zinc/71/16/47/568711647.db2.gz OHXYBXAZDMIFHN-NRFANRHFSA-N -1 0 418.453 3.571 50 0 HHAARM CC[C@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCCC[C@H]32)C(=O)NC1=S ZINC000229919834 568716032 /nfs/dbraw/zinc/71/60/32/568716032.db2.gz FAXHGYNNSDBMHI-IBNJYYFUSA-N -1 0 419.978 3.673 50 0 HHAARM CS[C@@H](C)CNC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C ZINC000241588524 568731498 /nfs/dbraw/zinc/73/14/98/568731498.db2.gz PDVLCAFCFGCNEO-ZDUSSCGKSA-N -1 0 411.524 3.808 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000096361141 568739029 /nfs/dbraw/zinc/73/90/29/568739029.db2.gz XNTJBUPLOXBIBG-UHFFFAOYSA-N -1 0 414.487 3.595 50 0 HHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000021882686 568757858 /nfs/dbraw/zinc/75/78/58/568757858.db2.gz UCIZEQJSXDDOSU-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)c(Cl)c1 ZINC000021883937 568758279 /nfs/dbraw/zinc/75/82/79/568758279.db2.gz WIYAWGGUVOZKEX-UHFFFAOYSA-N -1 0 419.915 3.980 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C)ccc1C ZINC000012526220 568843068 /nfs/dbraw/zinc/84/30/68/568843068.db2.gz GODKFZPREMCEFC-MRXNPFEDSA-N -1 0 402.516 3.819 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2F)c1 ZINC000012551996 568853846 /nfs/dbraw/zinc/85/38/46/568853846.db2.gz LEHBAHBDPFXXGN-UHFFFAOYSA-N -1 0 416.430 3.593 50 0 HHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccccc2Cl)cc1 ZINC000003310303 568877886 /nfs/dbraw/zinc/87/78/86/568877886.db2.gz YLPMJZYVLJBRQY-UHFFFAOYSA-N -1 0 419.919 3.740 50 0 HHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c(F)cccc1F ZINC000003325792 568881090 /nfs/dbraw/zinc/88/10/90/568881090.db2.gz GQKVWLZDXIQMLT-UHFFFAOYSA-N -1 0 424.450 3.566 50 0 HHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC[C@H]1C(=O)[O-])oc1c3CCCC1 ZINC000004061970 568881593 /nfs/dbraw/zinc/88/15/93/568881593.db2.gz AUXASDNAGLTQIL-SFHVURJKSA-N -1 0 423.465 3.735 50 0 biogenic HHAARM COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c([O-])c2ccccc2oc1=O ZINC000218128114 568926250 /nfs/dbraw/zinc/92/62/50/568926250.db2.gz LZCHAYIJZGNQLP-QGZVFWFLSA-N -1 0 418.405 3.776 50 0 biogenic HHAARM Cc1cc(C([O-])=CS(=O)(=O)c2ccc(Cl)cc2)cc(C)c1OC(=O)N(C)C ZINC000001403032 568927562 /nfs/dbraw/zinc/92/75/62/568927562.db2.gz SCMXIAZAPQNVEL-UHFFFAOYSA-N -1 0 409.891 3.674 50 0 HHAARM CS(=O)(=O)c1ccc2nc([N-]c3nc4cc5c(cc4s3)OCO5)sc2c1 ZINC000004137824 568945590 /nfs/dbraw/zinc/94/55/90/568945590.db2.gz XZWSURNFHRLEIT-UHFFFAOYSA-N -1 0 405.482 3.782 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2OC)cc1 ZINC000085392134 568984735 /nfs/dbraw/zinc/98/47/35/568984735.db2.gz KQTOYQPYCXRRAD-UHFFFAOYSA-N -1 0 418.515 3.521 50 0 HHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000015782016 569002853 /nfs/dbraw/zinc/00/28/53/569002853.db2.gz AFOYOLOWMZNQLT-QGZVFWFLSA-N -1 0 402.422 3.757 50 0 HHAARM CCCCN(C)c1ncc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000035397272 569034823 /nfs/dbraw/zinc/03/48/23/569034823.db2.gz ZYGRSAJCYWRBOD-UHFFFAOYSA-N -1 0 411.911 3.779 50 0 HHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000035397392 569034830 /nfs/dbraw/zinc/03/48/30/569034830.db2.gz AJNTWYPAQPDOCB-UHFFFAOYSA-N -1 0 421.519 3.606 50 0 HHAARM O=C(NCc1n[n-]c(=S)n1-c1ccc(Br)cc1)c1ccccc1F ZINC000006269401 569036175 /nfs/dbraw/zinc/03/61/75/569036175.db2.gz FFGGYSNGFQJFQV-UHFFFAOYSA-N -1 0 407.268 3.761 50 0 HHAARM O=C(NCc1n[n-]c(=S)n1-c1ccc(Br)cc1)c1cccc(F)c1 ZINC000006269106 569036189 /nfs/dbraw/zinc/03/61/89/569036189.db2.gz JTXQHPOSQWAMEQ-UHFFFAOYSA-N -1 0 407.268 3.761 50 0 HHAARM O=C(Nc1cccc2ccccc21)c1cnc([N-]S(=O)(=O)c2ccccc2)nc1 ZINC000006352520 569045159 /nfs/dbraw/zinc/04/51/59/569045159.db2.gz QERFFJJUONZHEP-UHFFFAOYSA-N -1 0 404.451 3.683 50 0 HHAARM CC(C)Oc1ccc(C=CC(=O)Nc2ccccc2-c2n[nH]c(=S)[n-]c2=O)cc1 ZINC000006389245 569046356 /nfs/dbraw/zinc/04/63/56/569046356.db2.gz NPPHLZOGPKQLRV-FMIVXFBMSA-N -1 0 408.483 3.934 50 0 HHAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239309206 569054128 /nfs/dbraw/zinc/05/41/28/569054128.db2.gz HHIPYHRVBWDGOQ-MRVWCRGKSA-N -1 0 404.532 3.595 50 0 HHAARM Cc1ccc2nc3[n-]c(NN=Cc4cccn4-c4ccc([N+](=O)[O-])cc4)nnc-3c2c1 ZINC000252603454 569060699 /nfs/dbraw/zinc/06/06/99/569060699.db2.gz FRLXMHNMVYESND-UHFFFAOYSA-N -1 0 412.413 3.959 50 0 HHAARM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000252620292 569060862 /nfs/dbraw/zinc/06/08/62/569060862.db2.gz MBFNSYJHAOPIQW-UHFFFAOYSA-N -1 0 413.773 3.970 50 0 HHAARM CC(C)C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000064589680 569069038 /nfs/dbraw/zinc/06/90/38/569069038.db2.gz OEFOTMAFQXDEHH-UHFFFAOYSA-N -1 0 401.894 3.959 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C)c2)CC1 ZINC000064820515 569102690 /nfs/dbraw/zinc/10/26/90/569102690.db2.gz LEFCZNVFLMTQQI-UHFFFAOYSA-N -1 0 410.470 3.725 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1 ZINC000064919730 569120949 /nfs/dbraw/zinc/12/09/49/569120949.db2.gz GSRZHWAVEYASIK-UHFFFAOYSA-N -1 0 408.545 3.503 50 0 HHAARM O=C([O-])c1c([C@H](C(=O)[O-])[NH+]2CCSCC2)c2ccccc2n1Cc1ccccc1 ZINC000036360630 569151869 /nfs/dbraw/zinc/15/18/69/569151869.db2.gz CWSKVWFPXMAKMD-LJQANCHMSA-N -1 0 410.495 3.562 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1ccc2ccc(Br)cc21 ZINC000036370084 569153880 /nfs/dbraw/zinc/15/38/80/569153880.db2.gz CRUFPYGTYWRPMU-KRWDZBQOSA-N -1 0 415.287 3.606 50 0 biogenic HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c1 ZINC000006887716 569171161 /nfs/dbraw/zinc/17/11/61/569171161.db2.gz DCXMHGCDBYBMQW-UHFFFAOYSA-N -1 0 418.471 3.785 50 0 HHAARM CSc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1 ZINC000065196252 569194622 /nfs/dbraw/zinc/19/46/22/569194622.db2.gz KBKLAYABAMEVOQ-UHFFFAOYSA-N -1 0 408.570 3.566 50 0 HHAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196211 569194639 /nfs/dbraw/zinc/19/46/39/569194639.db2.gz LNPBOBGRUSMTEP-UHFFFAOYSA-N -1 0 410.948 3.805 50 0 HHAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000007052844 569214397 /nfs/dbraw/zinc/21/43/97/569214397.db2.gz VUAYCACSWQJWSK-UHFFFAOYSA-N -1 0 416.421 3.568 50 0 HHAARM O=S(=O)([N-]c1cccn2nc(C3CCC3)nc12)c1cccc(Br)c1 ZINC000065284027 569216436 /nfs/dbraw/zinc/21/64/36/569216436.db2.gz YVEICAWASTYKJN-UHFFFAOYSA-N -1 0 407.293 3.560 50 0 HHAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc32)cc1)C(=O)[O-] ZINC000037019029 569235118 /nfs/dbraw/zinc/23/51/18/569235118.db2.gz KBFQENMNLKTESH-PLFFATQSSA-N -1 0 410.495 3.726 50 0 HHAARM COC(=O)[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1c1ccsc1 ZINC000170601412 569243188 /nfs/dbraw/zinc/24/31/88/569243188.db2.gz GFRSQZAFYQYSSU-NWDGAFQWSA-N -1 0 400.283 3.789 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000170612669 569246530 /nfs/dbraw/zinc/24/65/30/569246530.db2.gz ORXUFRKTIOQYKO-IBGZPJMESA-N -1 0 414.433 3.776 50 0 HHAARM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2ccc(Br)cn2n1 ZINC000170617372 569248024 /nfs/dbraw/zinc/24/80/24/569248024.db2.gz VKBZPVQGDAZBHA-UHFFFAOYSA-N -1 0 400.685 3.859 50 0 HHAARM CCOc1ccc(NC(=O)CSc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000017082423 569273275 /nfs/dbraw/zinc/27/32/75/569273275.db2.gz DZTUWNWMKLRCIV-UHFFFAOYSA-N -1 0 402.472 3.619 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002102392 569281480 /nfs/dbraw/zinc/28/14/80/569281480.db2.gz FDQDRSHFRVLFJO-QAPCUYQASA-N -1 0 417.502 3.827 50 0 biogenic HHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12 ZINC000002123469 569285716 /nfs/dbraw/zinc/28/57/16/569285716.db2.gz RLVOAJQNWBQBHT-ZDUSSCGKSA-N -1 0 413.470 3.975 50 0 biogenic HHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1C ZINC000002148532 569289758 /nfs/dbraw/zinc/28/97/58/569289758.db2.gz ULHYGMZXQGMTIZ-QFIPXVFZSA-N -1 0 419.433 3.949 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)NCCC(=O)[O-])c(C)c2oc1=O ZINC000002157101 569290369 /nfs/dbraw/zinc/29/03/69/569290369.db2.gz UZELSAQNJDZJPL-INIZCTEOSA-N -1 0 417.502 3.891 50 0 biogenic HHAARM CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1cccc(C(=O)[O-])c1 ZINC000007605211 569295157 /nfs/dbraw/zinc/29/51/57/569295157.db2.gz WYXZVPBNLJVJJV-UHFFFAOYSA-N -1 0 413.499 3.897 50 0 HHAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000007728460 569303619 /nfs/dbraw/zinc/30/36/19/569303619.db2.gz RJKRLZZFLMMFRH-AEFFLSMTSA-N -1 0 416.543 3.910 50 0 HHAARM O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2ccc(O)cc2)c(Cl)c1=O)C3 ZINC000002213072 569307842 /nfs/dbraw/zinc/30/78/42/569307842.db2.gz BPJUPBJCDNMSEF-MDSTYGKASA-N -1 0 415.877 3.582 50 0 HHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000253414783 569366960 /nfs/dbraw/zinc/36/69/60/569366960.db2.gz YPCUHKRTFFNWKI-KRWDZBQOSA-N -1 0 402.402 3.835 50 0 biogenic HHAARM Cc1ccc([C@H](CC(=O)[O-])Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000019804659 569430475 /nfs/dbraw/zinc/43/04/75/569430475.db2.gz WGLAIGWPGUCUNX-IBGZPJMESA-N -1 0 424.549 3.789 50 0 HHAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)[C@H]1C ZINC000334158716 571050384 /nfs/dbraw/zinc/05/03/84/571050384.db2.gz BMKOENPMJIDQAP-QWQRMKEZSA-N -1 0 411.527 3.881 50 0 HHAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2CCC1=O ZINC000008840568 571123250 /nfs/dbraw/zinc/12/32/50/571123250.db2.gz XBIBVFTWDXHFKA-UHFFFAOYSA-N -1 0 402.516 3.802 50 0 HHAARM O=C(N[C@@H]1CCOc2ccccc21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040144030 571194384 /nfs/dbraw/zinc/19/43/84/571194384.db2.gz VITPKFUYGALQTA-QGZVFWFLSA-N -1 0 414.508 3.803 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000008979054 571198167 /nfs/dbraw/zinc/19/81/67/571198167.db2.gz XPUAJSWYRSIAGV-UHFFFAOYSA-N -1 0 421.475 3.652 50 0 HHAARM Cc1nn(-c2ccccc2)c2[nH]c3nc(=O)[n-]c(=O)c-3c(-c3ccccc3Cl)c12 ZINC000008990907 571206906 /nfs/dbraw/zinc/20/69/06/571206906.db2.gz ZLTYWHCMNJYSNI-UHFFFAOYSA-N -1 0 403.829 3.579 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(-n2cccc2)c1 ZINC000009157146 571231889 /nfs/dbraw/zinc/23/18/89/571231889.db2.gz SLPQUUYBWNADRL-UHFFFAOYSA-N -1 0 424.507 3.987 50 0 HHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165774 571232547 /nfs/dbraw/zinc/23/25/47/571232547.db2.gz LIGMPIVKJYZSBR-UHFFFAOYSA-N -1 0 418.515 3.576 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000009223649 571238618 /nfs/dbraw/zinc/23/86/18/571238618.db2.gz KYZPNPFRSNYAQA-UHFFFAOYSA-N -1 0 422.466 3.625 50 0 HHAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1c(Cl)cccc1Cl ZINC000009303552 571246196 /nfs/dbraw/zinc/24/61/96/571246196.db2.gz YOAQNXPDSHPIHO-UHFFFAOYSA-N -1 0 407.282 3.870 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)on1 ZINC000009688787 571280174 /nfs/dbraw/zinc/28/01/74/571280174.db2.gz LOAIHTYSFQSRFC-UHFFFAOYSA-N -1 0 406.485 3.997 50 0 HHAARM Cc1ccc(C[C@@H](CC(=O)Nc2ccccc2I)C(=O)[O-])cc1 ZINC000071405170 571293810 /nfs/dbraw/zinc/29/38/10/571293810.db2.gz OMGXEVYNGFUIBD-AWEZNQCLSA-N -1 0 423.250 3.872 50 0 HHAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000010055174 571294626 /nfs/dbraw/zinc/29/46/26/571294626.db2.gz VCJLYDUTZQWMNZ-CYBMUJFWSA-N -1 0 418.462 3.963 50 0 HHAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2[n-]c1=S ZINC000010323184 571300237 /nfs/dbraw/zinc/30/02/37/571300237.db2.gz WFPQMPJEZIWFDS-UHFFFAOYSA-N -1 0 405.426 3.626 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)n1C ZINC000021154388 571305502 /nfs/dbraw/zinc/30/55/02/571305502.db2.gz XNYXXNORYHHUNS-UHFFFAOYSA-N -1 0 424.954 3.507 50 0 HHAARM COc1cc([C@H]2Cc3c(C(=O)[O-])c(=O)cc(C)n3-c3ccccc3S2)ccc1O ZINC000000755552 960456804 /nfs/dbraw/zinc/45/68/04/960456804.db2.gz FWCNOZKILZANNI-HXUWFJFHSA-N -1 0 409.463 3.948 50 0 HHAARM CCOc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)N(C)C ZINC000033527658 966409254 /nfs/dbraw/zinc/40/92/54/966409254.db2.gz VZLXNQIBGOFXMW-LUAWRHEFSA-N -1 0 420.465 3.969 50 0 HHAARM COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)ccc1OCC#N ZINC000096759359 969050864 /nfs/dbraw/zinc/05/08/64/969050864.db2.gz RSGOGQANAIFHQK-RIYZIHGNSA-N -1 0 411.801 3.681 50 0 HHAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3cccc(O)c3)cc2)cc1 ZINC000096766005 969050879 /nfs/dbraw/zinc/05/08/79/969050879.db2.gz IUTUMVHAYQIDMV-PQMHYQBVSA-N -1 0 423.446 3.787 50 0 HHAARM CC(=O)N1CCc2cc(N=Nc3c(=O)n(-c4ccccc4)[n-]c3-c3ccccc3)ccc21 ZINC000254445095 970572876 /nfs/dbraw/zinc/57/28/76/970572876.db2.gz VDXHDLPMTCUQEO-UHFFFAOYSA-N -1 0 423.476 3.815 50 0 HHAARM O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000254907502 970582757 /nfs/dbraw/zinc/58/27/57/970582757.db2.gz JKWIHYGCAAYJQR-UHFFFAOYSA-N -1 0 416.743 3.535 50 0 HHAARM Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)CN3CCN(c4cccc(C)c4C)CC3)c2c1 ZINC000001812749 132247925 /nfs/dbraw/zinc/24/79/25/132247925.db2.gz DOVZOBMYWGMKJK-UHFFFAOYSA-N -1 0 420.513 3.552 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2 ZINC000006779546 132315628 /nfs/dbraw/zinc/31/56/28/132315628.db2.gz CQCWHAIQUAFWFN-ZDUSSCGKSA-N -1 0 406.529 3.652 50 0 HHAARM CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1cccc(Cl)c1)C2=O ZINC000009434009 132339954 /nfs/dbraw/zinc/33/99/54/132339954.db2.gz KCCDTMBHJMQXMR-HSZRJFAPSA-N -1 0 419.868 3.755 50 0 HHAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)cnc21 ZINC000032097923 520085769 /nfs/dbraw/zinc/08/57/69/520085769.db2.gz JDLTXCBCFQNURM-UHFFFAOYSA-N -1 0 400.382 3.712 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000045961797 521553227 /nfs/dbraw/zinc/55/32/27/521553227.db2.gz KAULFIHRRLYVAJ-UHFFFAOYSA-N -1 0 408.545 3.964 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000032739376 521690117 /nfs/dbraw/zinc/69/01/17/521690117.db2.gz RRCPMHPDGUMRRA-UHFFFAOYSA-N -1 0 405.950 3.773 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1Cl ZINC000020577707 522813938 /nfs/dbraw/zinc/81/39/38/522813938.db2.gz NIUPZYHCNFGFGL-UHFFFAOYSA-N -1 0 422.890 3.904 50 0 HHAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000032971148 524106798 /nfs/dbraw/zinc/10/67/98/524106798.db2.gz MOJICZOPMBWDIO-LBPRGKRZSA-N -1 0 410.442 3.700 50 0 HHAARM COc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000032779852 524525309 /nfs/dbraw/zinc/52/53/09/524525309.db2.gz SLBLHKNHVTYJGB-UHFFFAOYSA-N -1 0 402.497 3.739 50 0 HHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)N(Cc1ccco1)C1CC1 ZINC000031939618 527237720 /nfs/dbraw/zinc/23/77/20/527237720.db2.gz GZJCSSYLKJKJGI-UHFFFAOYSA-N -1 0 416.524 3.876 50 0 HHAARM O=S(=O)([N-]c1cccc(O)c1)c1cc(Br)ccc1Br ZINC000032601898 527253376 /nfs/dbraw/zinc/25/33/76/527253376.db2.gz CDQNYVIROKRYHE-UHFFFAOYSA-N -1 0 407.083 3.718 50 0 HHAARM O=C([O-])C1CCN(C(=O)CCn2ccc3ccc(OCc4ccccc4)cc32)CC1 ZINC000040266481 527562697 /nfs/dbraw/zinc/56/26/97/527562697.db2.gz ICJDYWAZQQGQOJ-UHFFFAOYSA-N -1 0 406.482 3.934 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032088172 527656409 /nfs/dbraw/zinc/65/64/09/527656409.db2.gz QKXOANAQAZFPKJ-LJQANCHMSA-N -1 0 410.474 3.865 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017090765 527658189 /nfs/dbraw/zinc/65/81/89/527658189.db2.gz CDAQZPATSIGLSB-LSDHHAIUSA-N -1 0 416.543 3.905 50 0 HHAARM CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccc(Cl)cc32)cc1 ZINC000001399708 535120760 /nfs/dbraw/zinc/12/07/60/535120760.db2.gz SWTUYKWSVHAWRJ-KRWDZBQOSA-N -1 0 409.891 3.678 50 0 HHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)CC)CCC2 ZINC000012180576 535711559 /nfs/dbraw/zinc/71/15/59/535711559.db2.gz LIYPAFNSNQNLPM-UHFFFAOYSA-N -1 0 402.516 3.884 50 0 HHAARM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000631546 557027110 /nfs/dbraw/zinc/02/71/10/557027110.db2.gz QEMRCLGXBPTDTQ-UHFFFAOYSA-N -1 0 423.903 3.615 50 0 HHAARM CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000643482 557034034 /nfs/dbraw/zinc/03/40/34/557034034.db2.gz XWHSDAMUFMNYQH-UHFFFAOYSA-N -1 0 402.394 3.863 50 0 HHAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)c1 ZINC000000810548 557087387 /nfs/dbraw/zinc/08/73/87/557087387.db2.gz HKZVVJNQQCHQBF-UHFFFAOYSA-N -1 0 417.512 3.578 50 0 HHAARM COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3N2)cc1OC ZINC000000867084 557106265 /nfs/dbraw/zinc/10/62/65/557106265.db2.gz JJDPPMCQLFWVDK-GZMMTYOYSA-N -1 0 405.760 3.912 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000000890383 557112083 /nfs/dbraw/zinc/11/20/83/557112083.db2.gz ZGBSFGYLPBIQHZ-GOSISDBHSA-N -1 0 414.433 3.776 50 0 HHAARM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001010421 557141572 /nfs/dbraw/zinc/14/15/72/557141572.db2.gz PDGLJDOBGSTPIX-UHFFFAOYSA-N -1 0 414.512 3.642 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000001131502 557198549 /nfs/dbraw/zinc/19/85/49/557198549.db2.gz ICQCDTHCFZYFNP-UHFFFAOYSA-N -1 0 424.522 3.859 50 0 HHAARM CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)c1 ZINC000001178048 557228739 /nfs/dbraw/zinc/22/87/39/557228739.db2.gz XCULAFMRUICBJF-UHFFFAOYSA-N -1 0 418.405 3.815 50 0 biogenic HHAARM Cc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000002981859 557435381 /nfs/dbraw/zinc/43/53/81/557435381.db2.gz SRMFNIKYRNXVDR-UMSHPIDHSA-N -1 0 412.461 3.521 50 0 HHAARM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000003961071 557503977 /nfs/dbraw/zinc/50/39/77/557503977.db2.gz GJOCABIDMCKCEG-INIZCTEOSA-N -1 0 412.305 3.504 50 0 in-vivo HHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004179248 557525316 /nfs/dbraw/zinc/52/53/16/557525316.db2.gz XPQRTZDIRPPNBW-FCHUYYIVSA-N -1 0 406.526 3.811 50 0 HHAARM O=C([O-])CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004680601 557580636 /nfs/dbraw/zinc/58/06/36/557580636.db2.gz ZMGLPPOYGNVJNA-UHFFFAOYSA-N -1 0 408.690 3.922 50 0 HHAARM Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccccc1Cl ZINC000004682010 557580774 /nfs/dbraw/zinc/58/07/74/557580774.db2.gz HZUYYCVLOFDJES-UHFFFAOYSA-N -1 0 402.863 3.565 50 0 HHAARM COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000004691528 557581739 /nfs/dbraw/zinc/58/17/39/557581739.db2.gz TWBAIRDQTWTHCH-LDADJPATSA-N -1 0 413.451 3.647 50 0 HHAARM COc1ccc(CCN2C(=O)CC[C@H](C(=O)[O-])[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000004759735 557595409 /nfs/dbraw/zinc/59/54/09/557595409.db2.gz UCMMELSTVMGLSK-LAUBAEHRSA-N -1 0 417.889 3.964 50 0 HHAARM CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)[C@H](C(=O)[O-])C1 ZINC000005500207 557658377 /nfs/dbraw/zinc/65/83/77/557658377.db2.gz IYHMWAPEEGFFEQ-HZPDHXFCSA-N -1 0 408.901 3.571 50 0 HHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000002709453 557744748 /nfs/dbraw/zinc/74/47/48/557744748.db2.gz AYFDYYTXTYDMSS-UHFFFAOYSA-N -1 0 418.478 3.991 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002765924 557759911 /nfs/dbraw/zinc/75/99/11/557759911.db2.gz RJTBEHDMKQEGKJ-RTWAWAEBSA-N -1 0 401.466 3.823 50 0 HHAARM Cc1cccc(Cn2ccc([N-]S(=O)(=O)c3ccc(Br)s3)n2)c1 ZINC000002804248 557763257 /nfs/dbraw/zinc/76/32/57/557763257.db2.gz NOMKMBZKPISWFJ-UHFFFAOYSA-N -1 0 412.334 3.865 50 0 HHAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(Br)cc2)ccc1Cl ZINC000009428311 557842987 /nfs/dbraw/zinc/84/29/87/557842987.db2.gz BYSJJKJUKNEZAH-UHFFFAOYSA-N -1 0 413.680 3.928 50 0 HHAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2ccccc12 ZINC000011635105 558264840 /nfs/dbraw/zinc/26/48/40/558264840.db2.gz XFRAZCROGQXNHI-FQEVSTJZSA-N -1 0 408.479 3.604 50 0 HHAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000020292101 558354155 /nfs/dbraw/zinc/35/41/55/558354155.db2.gz VAOSXHABQCKTOP-RELWKKBWSA-N -1 0 419.525 3.951 50 0 HHAARM Cn1c(SCC(=O)Nc2ccccc2C(=O)[O-])nnc1-c1cc2ccccc2o1 ZINC000010681703 558385861 /nfs/dbraw/zinc/38/58/61/558385861.db2.gz BAPGBBDLMBJRJT-UHFFFAOYSA-N -1 0 408.439 3.657 50 0 HHAARM C[C@@H](SC1=NC(=O)C(c2ccccc2)C([O-])=N1)C(=O)Nc1cccc(Cl)c1 ZINC000012380863 558393147 /nfs/dbraw/zinc/39/31/47/558393147.db2.gz SJOGSWGZYKLLLR-LLVKDONJSA-N -1 0 401.875 3.915 50 0 HHAARM CSCC[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC000020737123 558408110 /nfs/dbraw/zinc/40/81/10/558408110.db2.gz VQWSEDAFVVFISI-LBPRGKRZSA-N -1 0 419.355 3.982 50 0 HHAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000004345438 558427228 /nfs/dbraw/zinc/42/72/28/558427228.db2.gz QJEOOGFFNSCKAG-MOSHPQCFSA-N -1 0 420.444 3.762 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000012648370 558443614 /nfs/dbraw/zinc/44/36/14/558443614.db2.gz KIHDUTMNOVGCPQ-DLBZAZTESA-N -1 0 406.479 3.546 50 0 HHAARM Cc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000021785054 558448523 /nfs/dbraw/zinc/44/85/23/558448523.db2.gz MHTZKRBWCPSNCX-UHFFFAOYSA-N -1 0 416.524 3.666 50 0 HHAARM CCCc1nnc(SCC(=O)Nc2c(CC)ccc(Cl)c2CC)n1CC(=O)[O-] ZINC000012788861 558464282 /nfs/dbraw/zinc/46/42/82/558464282.db2.gz VTWOOADJOBIJIV-UHFFFAOYSA-N -1 0 424.954 3.824 50 0 HHAARM O=C(NCc1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000022624112 558503491 /nfs/dbraw/zinc/50/34/91/558503491.db2.gz VKXICFRWEBCIIN-UHFFFAOYSA-N -1 0 402.422 3.696 50 0 HHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1csc(-c2ccccc2)n1 ZINC000013235034 558527714 /nfs/dbraw/zinc/52/77/14/558527714.db2.gz YBFVGABXFSTKTR-IBGZPJMESA-N -1 0 420.494 3.787 50 0 HHAARM O=C(CSc1nnc(-c2ccc(F)c(F)c2)c(=O)[n-]1)Nc1ccc(F)c(F)c1 ZINC000024747905 558609741 /nfs/dbraw/zinc/60/97/41/558609741.db2.gz XATYVVWEXISVDG-UHFFFAOYSA-N -1 0 410.352 3.531 50 0 HHAARM O=C([O-])[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1 ZINC000025053535 558628984 /nfs/dbraw/zinc/62/89/84/558628984.db2.gz LQILFTZNWQPWDS-AWEZNQCLSA-N -1 0 422.338 3.622 50 0 HHAARM O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000036366041 558799484 /nfs/dbraw/zinc/79/94/84/558799484.db2.gz QDEMFYMPLVBOLT-UHFFFAOYSA-N -1 0 424.404 3.509 50 0 HHAARM CCCCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022969789 558809820 /nfs/dbraw/zinc/80/98/20/558809820.db2.gz AJLJLXFKWNSXDS-UHFFFAOYSA-N -1 0 418.515 3.569 50 0 HHAARM CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)[C@H](C(=O)[O-])C1 ZINC000017082398 558814470 /nfs/dbraw/zinc/81/44/70/558814470.db2.gz JUZAYHZVIIUIAT-HZPDHXFCSA-N -1 0 402.472 3.657 50 0 HHAARM COc1cccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)[O-])sc3c2CCC3)c1 ZINC000017090650 558819331 /nfs/dbraw/zinc/81/93/31/558819331.db2.gz IKQCAOMADFKYRZ-LBPRGKRZSA-N -1 0 416.499 3.937 50 0 HHAARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)[C@H](C(=O)[O-])C1 ZINC000017090748 558819443 /nfs/dbraw/zinc/81/94/43/558819443.db2.gz BUMRHLINJSWVEU-HZPDHXFCSA-N -1 0 416.543 3.905 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000017090762 558819469 /nfs/dbraw/zinc/81/94/69/558819469.db2.gz SAGPQNGYCCGCHP-GJZGRUSLSA-N -1 0 416.543 3.859 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017091506 558820099 /nfs/dbraw/zinc/82/00/99/558820099.db2.gz OCFLZJXDSMDXAV-YUELXQCFSA-N -1 0 418.559 3.985 50 0 HHAARM NC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017093986 558822324 /nfs/dbraw/zinc/82/23/24/558822324.db2.gz WSSQOBWVDYQCNW-SMELUJQZSA-N -1 0 424.522 3.688 50 0 HHAARM O=C(Cc1ccccc1)NCc1n[n-]c(=S)n1-c1ccc(Br)cc1 ZINC000013571945 558844630 /nfs/dbraw/zinc/84/46/30/558844630.db2.gz BZVLQDNHEXBEGB-UHFFFAOYSA-N -1 0 403.305 3.551 50 0 HHAARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(Br)cc2F)SC1=S ZINC000069972878 558889314 /nfs/dbraw/zinc/88/93/14/558889314.db2.gz SVRNVIMZPFUDPC-WDZFZDKYSA-N -1 0 404.282 3.654 50 0 HHAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)Cc1ccccc1 ZINC000722975928 558891408 /nfs/dbraw/zinc/89/14/08/558891408.db2.gz AVWRDMWEWHYRJC-PKTZIBPZSA-N -1 0 417.461 3.582 50 0 HHAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000722975930 558891441 /nfs/dbraw/zinc/89/14/41/558891441.db2.gz AVWRDMWEWHYRJC-XZOQPEGZSA-N -1 0 417.461 3.582 50 0 HHAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000033171436 558900106 /nfs/dbraw/zinc/90/01/06/558900106.db2.gz KOCPMDDCLKSASG-UHFFFAOYSA-N -1 0 408.483 3.823 50 0 HHAARM Cc1cc(Br)c([O-])c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 ZINC000058393566 558923752 /nfs/dbraw/zinc/92/37/52/558923752.db2.gz PIAHWHBALWQRSX-UHFFFAOYSA-N -1 0 400.276 3.638 50 0 HHAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000058518908 558928357 /nfs/dbraw/zinc/92/83/57/558928357.db2.gz VYTQPDLQVCKJLP-UHFFFAOYSA-N -1 0 404.488 3.733 50 0 HHAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031295 558985398 /nfs/dbraw/zinc/98/53/98/558985398.db2.gz PRONCPIUCMQTJC-LJQANCHMSA-N -1 0 423.517 3.543 50 0 HHAARM O=C(c1ccccc1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097138359 558996600 /nfs/dbraw/zinc/99/66/00/558996600.db2.gz CRPGFAKITZBHTM-UHFFFAOYSA-N -1 0 404.857 3.542 50 0 HHAARM O=C([O-])[C@H]1[C@@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095742963 559088439 /nfs/dbraw/zinc/08/84/39/559088439.db2.gz MKGBTBHADOYGDF-JEWAVWJGSA-N -1 0 405.450 3.690 50 0 HHAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3)cn2n1 ZINC000011693578 559187946 /nfs/dbraw/zinc/18/79/46/559187946.db2.gz POWMARLJDWLVCN-UHFFFAOYSA-N -1 0 414.874 3.859 50 0 HHAARM CN1c2ccsc2C([O-])=C(C(=O)Nc2ccc(Cl)c(Cl)c2)S1(=O)=O ZINC000100326301 559194183 /nfs/dbraw/zinc/19/41/83/559194183.db2.gz FZIVXPFJLHSCCX-UHFFFAOYSA-N -1 0 405.284 3.700 50 0 HHAARM O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2ccc(O)cc2)c(Cl)c1=O)C3 ZINC000004912713 559204061 /nfs/dbraw/zinc/20/40/61/559204061.db2.gz BPJUPBJCDNMSEF-DJCZSRRASA-N -1 0 415.877 3.582 50 0 HHAARM COc1ccc(C(=O)Nc2c(N)nc(SCc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000005081609 559242706 /nfs/dbraw/zinc/24/27/06/559242706.db2.gz KZCGSBBKKXTXPH-UHFFFAOYSA-N -1 0 410.499 3.522 50 0 HHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000005127130 559248772 /nfs/dbraw/zinc/24/87/72/559248772.db2.gz MUGSEPKJWWKHOQ-UHFFFAOYSA-N -1 0 410.495 3.889 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000005153989 559254376 /nfs/dbraw/zinc/25/43/76/559254376.db2.gz QEXPOZVDGJBPDH-LLVKDONJSA-N -1 0 406.891 3.546 50 0 HHAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccc(Cl)cc2)c(OC)c1 ZINC000005447884 560626565 /nfs/dbraw/zinc/62/65/65/560626565.db2.gz XRJOZBBQRZSDGZ-UHFFFAOYSA-N -1 0 405.863 3.782 50 0 HHAARM CC(=O)Oc1cccc(N2C(=O)c3ccc(Oc4ccc(C(=O)[O-])cc4)cc3C2=O)c1 ZINC000003146593 560739328 /nfs/dbraw/zinc/73/93/28/560739328.db2.gz CIQGNZJLQAOTNJ-UHFFFAOYSA-N -1 0 417.373 3.903 50 0 HHAARM Cc1cc(=O)n2c(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)csc2n1 ZINC000011696425 560773938 /nfs/dbraw/zinc/77/39/38/560773938.db2.gz BPOFXFAIHBDNCR-UHFFFAOYSA-N -1 0 403.510 3.594 50 0 HHAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000012898815 560788880 /nfs/dbraw/zinc/78/88/80/560788880.db2.gz PPYMCDPMMWYNEE-QGZVFWFLSA-N -1 0 415.486 3.507 50 0 biogenic HHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)cc1C ZINC000101298491 560791170 /nfs/dbraw/zinc/79/11/70/560791170.db2.gz DFODBMRAKBKVOC-IBGZPJMESA-N -1 0 406.417 3.875 50 0 HHAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)N1CCCC1 ZINC000101505598 560796706 /nfs/dbraw/zinc/79/67/06/560796706.db2.gz VXUGWKHQHYASEQ-UHFFFAOYSA-N -1 0 402.907 3.828 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3C)c([O-])c3cccnc32)c1 ZINC000101722150 560798710 /nfs/dbraw/zinc/79/87/10/560798710.db2.gz DRICHOOOPFSFKF-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(C)cc3)c([O-])c3cccnc32)c1 ZINC000101722250 560798754 /nfs/dbraw/zinc/79/87/54/560798754.db2.gz MSPLZOURBNHJRK-UHFFFAOYSA-N -1 0 401.422 3.661 50 0 HHAARM C[C@@H](NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O)c1ccc(F)cc1 ZINC000101722574 560798893 /nfs/dbraw/zinc/79/88/93/560798893.db2.gz MKPRISKMKZXOAH-CYBMUJFWSA-N -1 0 421.403 3.861 50 0 HHAARM Cn1c(=O)c(-c2nc(-c3cccc(Br)c3)no2)c([O-])c2cc(F)ccc21 ZINC000101725119 560799023 /nfs/dbraw/zinc/79/90/23/560799023.db2.gz VXYNSHRMZBOOFO-UHFFFAOYSA-N -1 0 416.206 3.863 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(C)cc1 ZINC000101835426 560803294 /nfs/dbraw/zinc/80/32/94/560803294.db2.gz GPYMJKMCFFGHTE-FQEVSTJZSA-N -1 0 402.454 3.990 50 0 HHAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102479203 560811771 /nfs/dbraw/zinc/81/17/71/560811771.db2.gz SQSQDDNIRROMKL-ROUUACIJSA-N -1 0 421.844 3.797 50 0 HHAARM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)Nc1cccc(Br)c1 ZINC000102796611 560827855 /nfs/dbraw/zinc/82/78/55/560827855.db2.gz URQVXGWMMKOCSD-UHFFFAOYSA-N -1 0 424.320 3.557 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000102810906 560829393 /nfs/dbraw/zinc/82/93/93/560829393.db2.gz ONULKZORZBMLQV-GOSISDBHSA-N -1 0 424.844 3.781 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(F)cc1 ZINC000102901492 560834987 /nfs/dbraw/zinc/83/49/87/560834987.db2.gz NLFKUEDKPDIDEB-IBGZPJMESA-N -1 0 406.417 3.820 50 0 HHAARM CCc1ccc([C@@H](CC(=O)NCc2ccc(OC)cc2)NC(=O)C(F)(F)F)cc1 ZINC000005717282 560842258 /nfs/dbraw/zinc/84/22/58/560842258.db2.gz UIHXJDPFWWQBNH-GOSISDBHSA-N -1 0 408.420 3.684 50 0 HHAARM CCc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)[N-]C(=O)C(F)(F)F)cc1 ZINC000005717285 560842344 /nfs/dbraw/zinc/84/23/44/560842344.db2.gz CHWZAKRTENTIIM-OAHLLOKOSA-N -1 0 408.376 3.726 50 0 HHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4OC)c32)cc1 ZINC000049543130 568451001 /nfs/dbraw/zinc/45/10/01/568451001.db2.gz YSGLNEWJWDNVAO-MRXNPFEDSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)ccc2OC)CC(=O)N3)c1 ZINC000049543226 568451104 /nfs/dbraw/zinc/45/11/04/568451104.db2.gz OUVWFFUABVWWIX-KRWDZBQOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000000670297 568460894 /nfs/dbraw/zinc/46/08/94/568460894.db2.gz IUPCABVTEWHTPM-IBGZPJMESA-N -1 0 410.470 3.945 50 0 HHAARM O=C([O-])c1cccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000000799955 568483655 /nfs/dbraw/zinc/48/36/55/568483655.db2.gz POJPHDRZUAGZKQ-AWEZNQCLSA-N -1 0 410.373 3.845 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCc4ccccc4)c3=O)c2c1 ZINC000020330513 568599398 /nfs/dbraw/zinc/59/93/98/568599398.db2.gz MWRMFODAZFZGAA-UHFFFAOYSA-N -1 0 422.510 3.646 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c(OC)c1 ZINC000020990121 568655760 /nfs/dbraw/zinc/65/57/60/568655760.db2.gz XZHJHGJYSGIPGY-UHFFFAOYSA-N -1 0 414.483 3.813 50 0 HHAARM COc1cc(CCC(=O)NCCCCCCC(=O)[O-])ccc1OCC(F)(F)F ZINC000095970466 568671523 /nfs/dbraw/zinc/67/15/23/568671523.db2.gz UBBYTVNCRPSXAJ-UHFFFAOYSA-N -1 0 405.413 3.720 50 0 HHAARM COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])cc1Br ZINC000058283298 568699528 /nfs/dbraw/zinc/69/95/28/568699528.db2.gz DAUMVDOFELWMOC-UHFFFAOYSA-N -1 0 414.277 3.574 50 0 HHAARM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4cccs4)c3)cn2n1 ZINC000012441343 568724001 /nfs/dbraw/zinc/72/40/01/568724001.db2.gz SREQQLMKBDHNGE-UHFFFAOYSA-N -1 0 400.485 3.576 50 0 HHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)o1 ZINC000096379551 568741184 /nfs/dbraw/zinc/74/11/84/568741184.db2.gz PTEYBZVTRLTIOI-UHFFFAOYSA-N -1 0 400.382 3.810 50 0 HHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c1 ZINC000096379707 568741433 /nfs/dbraw/zinc/74/14/33/568741433.db2.gz XJZPLOVHAIYPKY-UHFFFAOYSA-N -1 0 414.487 3.952 50 0 HHAARM CCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000021777793 568752527 /nfs/dbraw/zinc/75/25/27/568752527.db2.gz VSRPOJHVVFNEBQ-UHFFFAOYSA-N -1 0 414.535 3.641 50 0 HHAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3ccc(Br)cc3)c2=O)n1 ZINC000021801978 568754228 /nfs/dbraw/zinc/75/42/28/568754228.db2.gz TZJZTHUEJHVGGD-UHFFFAOYSA-N -1 0 407.293 3.595 50 0 HHAARM O=C(c1cc(F)ccc1Cl)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097161540 568769134 /nfs/dbraw/zinc/76/91/34/568769134.db2.gz QUMLLWMCOAIDRT-UHFFFAOYSA-N -1 0 422.847 3.681 50 0 HHAARM CCc1nc2sc([C@H](c3ccco3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022578338 568770430 /nfs/dbraw/zinc/77/04/30/568770430.db2.gz YLWZRBYZAKCMCP-IBGZPJMESA-N -1 0 423.542 3.559 50 0 HHAARM O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000225636335 568777758 /nfs/dbraw/zinc/77/77/58/568777758.db2.gz UNQWRELKJLGAPP-OAQYLSRUSA-N -1 0 414.461 3.655 50 0 HHAARM COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(=O)[O-])c2)ccc1O ZINC000005915909 568829684 /nfs/dbraw/zinc/82/96/84/568829684.db2.gz RAOWPQJQQBVPEN-ZRDIBKRKSA-N -1 0 414.417 3.969 50 0 HHAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NC1CCCCC1 ZINC000002974432 568832404 /nfs/dbraw/zinc/83/24/04/568832404.db2.gz AKFNTZOANSKGIA-UHFFFAOYSA-N -1 0 417.531 3.797 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1N1CCCC1=O ZINC000012541866 568848772 /nfs/dbraw/zinc/84/87/72/568848772.db2.gz MSBLJTHNICKLOL-UHFFFAOYSA-N -1 0 409.305 3.685 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)cc1 ZINC000012605676 568871041 /nfs/dbraw/zinc/87/10/41/568871041.db2.gz YSDMOJOUZKJZES-UHFFFAOYSA-N -1 0 408.907 3.776 50 0 HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](CCC)C(=O)[O-])cc2oc1=O ZINC000004046583 568880216 /nfs/dbraw/zinc/88/02/16/568880216.db2.gz LFXOXUVLWVTOMG-LJQANCHMSA-N -1 0 417.502 3.973 50 0 biogenic HHAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000003360619 568887957 /nfs/dbraw/zinc/88/79/57/568887957.db2.gz TVHCFJGUJLJKHZ-UHFFFAOYSA-N -1 0 416.480 3.572 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)C2)ccc1C ZINC000012728942 568921149 /nfs/dbraw/zinc/92/11/49/568921149.db2.gz WHTIEFKMRQCKGV-HNNXBMFYSA-N -1 0 402.516 3.677 50 0 HHAARM CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000031776842 568931047 /nfs/dbraw/zinc/93/10/47/568931047.db2.gz LKSIVNKVPJCXRE-UHFFFAOYSA-N -1 0 406.813 3.861 50 0 HHAARM CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012746999 568932881 /nfs/dbraw/zinc/93/28/81/568932881.db2.gz CNBYCAWMLNQQOD-UHFFFAOYSA-N -1 0 400.422 3.988 50 0 HHAARM CC(C)c1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)s1 ZINC000012758504 568943479 /nfs/dbraw/zinc/94/34/79/568943479.db2.gz IZHPERNGXQTOOO-UHFFFAOYSA-N -1 0 408.530 3.776 50 0 HHAARM Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(C(=O)[O-])cc4)cc3C2=O)c1 ZINC000004113433 568944162 /nfs/dbraw/zinc/94/41/62/568944162.db2.gz DZLPTRNWWBLBMZ-UHFFFAOYSA-N -1 0 400.390 3.746 50 0 HHAARM CCCCc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000004306491 568960647 /nfs/dbraw/zinc/96/06/47/568960647.db2.gz IKZKQJSTEIFREN-UHFFFAOYSA-N -1 0 403.529 3.871 50 0 HHAARM CCc1sc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1C ZINC000008156705 568978227 /nfs/dbraw/zinc/97/82/27/568978227.db2.gz OMVVUDGJNVURAN-OAHLLOKOSA-N -1 0 403.500 3.850 50 0 HHAARM CC1=CC[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(CN3OCC(C)(C)C3=O)c(Cl)c2)C1 ZINC000085388588 568984212 /nfs/dbraw/zinc/98/42/12/568984212.db2.gz XCVTUDHJHCRBJL-JKSUJKDBSA-N -1 0 420.893 3.636 50 0 HHAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@H](C)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000006075917 568992830 /nfs/dbraw/zinc/99/28/30/568992830.db2.gz JYVPSHHYNOXDHM-CYBMUJFWSA-N -1 0 411.454 3.557 50 0 HHAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000015953902 569024643 /nfs/dbraw/zinc/02/46/43/569024643.db2.gz OBMAGMUWXPNRSR-CVEARBPZSA-N -1 0 417.502 3.889 50 0 HHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000035397493 569034961 /nfs/dbraw/zinc/03/49/61/569034961.db2.gz WGUVHTFPAPTKOV-UHFFFAOYSA-N -1 0 405.520 3.824 50 0 HHAARM O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(NC2CCCCC2)c(Cl)c1=O)C3 ZINC000016383042 569040249 /nfs/dbraw/zinc/04/02/49/569040249.db2.gz BECIXMWCXLSPGT-CUQFQEKKSA-N -1 0 405.926 3.877 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000006316911 569040280 /nfs/dbraw/zinc/04/02/80/569040280.db2.gz ZKHUPFYAXFOXMH-INIZCTEOSA-N -1 0 410.495 3.987 50 0 HHAARM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000035592605 569045456 /nfs/dbraw/zinc/04/54/56/569045456.db2.gz LWTZWCRWQGBECB-UHFFFAOYSA-N -1 0 406.685 3.926 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239038484 569053940 /nfs/dbraw/zinc/05/39/40/569053940.db2.gz DGUFXYSKIBSHAD-BPLDGKMQSA-N -1 0 416.543 3.761 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000026772170 569056542 /nfs/dbraw/zinc/05/65/42/569056542.db2.gz DJTNPIMWQHAAEA-XBHMSOGKSA-N -1 0 417.502 3.827 50 0 HHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000089331183 569058345 /nfs/dbraw/zinc/05/83/45/569058345.db2.gz JQQAQUCFJMBIBM-UHFFFAOYSA-N -1 0 408.479 3.620 50 0 HHAARM CCc1ccc2nc3[n-]c(NN=Cc4c(OC)cc(OC)cc4OC)nnc-3c2c1 ZINC000252614156 569060849 /nfs/dbraw/zinc/06/08/49/569060849.db2.gz JGLWSVLWKWBBOQ-UHFFFAOYSA-N -1 0 406.446 3.540 50 0 HHAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690142 569070662 /nfs/dbraw/zinc/07/06/62/569070662.db2.gz STBBWQDWOLTAKK-OZVIIMIRSA-N -1 0 406.939 3.911 50 0 HHAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000006670470 569086744 /nfs/dbraw/zinc/08/67/44/569086744.db2.gz CTJGYMDELADXEF-UHFFFAOYSA-N -1 0 414.487 3.568 50 0 HHAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104884 569092746 /nfs/dbraw/zinc/09/27/46/569092746.db2.gz STBBWQDWOLTAKK-HSMVNMDESA-N -1 0 406.939 3.911 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000064774703 569093351 /nfs/dbraw/zinc/09/33/51/569093351.db2.gz QWTZDFKRDIYVFC-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2n(CC)c1=O ZINC000064775635 569093596 /nfs/dbraw/zinc/09/35/96/569093596.db2.gz GTJHCALRGOTNEC-UHFFFAOYSA-N -1 0 423.922 3.614 50 0 HHAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)cc(OC)c1O ZINC000006733079 569103755 /nfs/dbraw/zinc/10/37/55/569103755.db2.gz WSYDIPWRGZKIMO-UHFFFAOYSA-N -1 0 409.373 3.852 50 0 HHAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036357864 569149316 /nfs/dbraw/zinc/14/93/16/569149316.db2.gz IXEXXFJRTCMAIZ-QFIPXVFZSA-N -1 0 406.482 3.957 50 0 HHAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)C1 ZINC000036364900 569152031 /nfs/dbraw/zinc/15/20/31/569152031.db2.gz SBQNDXJIJVDICN-GFCCVEGCSA-N -1 0 414.405 3.574 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021336 569154371 /nfs/dbraw/zinc/15/43/71/569154371.db2.gz RTVUPTSYBKMPRG-UHFFFAOYSA-N -1 0 414.527 3.839 50 0 HHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C)c(N(C)C)c1 ZINC000006887690 569171183 /nfs/dbraw/zinc/17/11/83/569171183.db2.gz FOEFMVDDWATMQG-UHFFFAOYSA-N -1 0 401.488 3.834 50 0 HHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000065115954 569179667 /nfs/dbraw/zinc/17/96/67/569179667.db2.gz CRZOGBUDUYSFSO-UHFFFAOYSA-N -1 0 419.434 3.557 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(OC)c(F)c3)c(C)n2CC)o1 ZINC000065186619 569192214 /nfs/dbraw/zinc/19/22/14/569192214.db2.gz ZVCQKLOSBFEMNJ-UHFFFAOYSA-N -1 0 422.482 3.686 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)c(C)c1 ZINC000065196279 569194589 /nfs/dbraw/zinc/19/45/89/569194589.db2.gz RVAPIJTZJFXSFC-UHFFFAOYSA-N -1 0 404.557 3.851 50 0 HHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2 ZINC000065196291 569194624 /nfs/dbraw/zinc/19/46/24/569194624.db2.gz DUYUPLXLFXSBMQ-UHFFFAOYSA-N -1 0 408.520 3.681 50 0 HHAARM O=C([O-])[C@@H](CSCc1ccccc1)NC(=O)CCn1ccc2ccc(F)cc21 ZINC000036584628 569202970 /nfs/dbraw/zinc/20/29/70/569202970.db2.gz DRYNBEFDMJQSRZ-GOSISDBHSA-N -1 0 400.475 3.673 50 0 HHAARM CCOc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(Cl)cc3)c2[nH]c1=O ZINC000065250010 569206052 /nfs/dbraw/zinc/20/60/52/569206052.db2.gz DFDLVRHDZKKYSJ-UHFFFAOYSA-N -1 0 424.844 3.724 50 0 HHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)c1 ZINC000007050863 569213348 /nfs/dbraw/zinc/21/33/48/569213348.db2.gz HTDAQSSOBWIGCC-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM O=C([O-])c1cccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cnccn32)c1 ZINC000065322791 569224688 /nfs/dbraw/zinc/22/46/88/569224688.db2.gz XVCRXLAOFMXUCL-UHFFFAOYSA-N -1 0 415.453 3.675 50 0 HHAARM COc1ccc2nc(C)cc(SC[C@H](NC(=O)c3cccs3)C(=O)[O-])c2c1 ZINC000238923529 569228436 /nfs/dbraw/zinc/22/84/36/569228436.db2.gz OLUZXPLNHBRQQN-HNNXBMFYSA-N -1 0 402.497 3.589 50 0 HHAARM O=C([O-])C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(F)cc1F ZINC000170592103 569240934 /nfs/dbraw/zinc/24/09/34/569240934.db2.gz UMDUXPYOZBBMOQ-GOSISDBHSA-N -1 0 418.421 3.946 50 0 HHAARM COC(=O)[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1c1ccsc1 ZINC000170601411 569243232 /nfs/dbraw/zinc/24/32/32/569243232.db2.gz GFRSQZAFYQYSSU-NEPJUHHUSA-N -1 0 400.283 3.789 50 0 HHAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cnccn1 ZINC000010027244 569252932 /nfs/dbraw/zinc/25/29/32/569252932.db2.gz PLFFSSYMRRXFLE-UHFFFAOYSA-N -1 0 423.281 3.837 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000089827838 569266661 /nfs/dbraw/zinc/26/66/61/569266661.db2.gz VMLSRYJGIGWFDS-QGZVFWFLSA-N -1 0 401.260 3.992 50 0 HHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC(C(=O)[O-])CC4)c(C)c3cc2c1C ZINC000002097181 569281068 /nfs/dbraw/zinc/28/10/68/569281068.db2.gz CILBFBZXVSVZLY-UHFFFAOYSA-N -1 0 411.454 3.720 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCC)C(=O)[O-])ccc12 ZINC000002104692 569282176 /nfs/dbraw/zinc/28/21/76/569282176.db2.gz UHSRJKCFZQLKAL-KRWDZBQOSA-N -1 0 403.475 3.582 50 0 biogenic HHAARM Cc1cc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002114872 569284531 /nfs/dbraw/zinc/28/45/31/569284531.db2.gz QOENJMDYUFRMLO-HNNXBMFYSA-N -1 0 415.486 3.509 50 0 biogenic HHAARM Cc1oc2c(C)c(OCC(=O)[O-])ccc2c(=O)c1Oc1cnn(-c2ccccc2)c1 ZINC000002544579 569288395 /nfs/dbraw/zinc/28/83/95/569288395.db2.gz DDLUKNAIIKKJLJ-UHFFFAOYSA-N -1 0 406.394 3.851 50 0 HHAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002157232 569290378 /nfs/dbraw/zinc/29/03/78/569290378.db2.gz MAZNTMSQDCJWIO-RHSMWYFYSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000027305059 569293319 /nfs/dbraw/zinc/29/33/19/569293319.db2.gz JCWZQAFNBKXKPE-OVCLIPMQSA-N -1 0 417.259 3.525 50 0 HHAARM COc1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471095 569381060 /nfs/dbraw/zinc/38/10/60/569381060.db2.gz LMMWNKQMOHNDPX-IBGZPJMESA-N -1 0 409.438 3.832 50 0 HHAARM COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)[O-])c1 ZINC000328597109 569416237 /nfs/dbraw/zinc/41/62/37/569416237.db2.gz DOBOCEIVKHABIY-GOSISDBHSA-N -1 0 416.861 3.900 50 0 HHAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000008589365 571084847 /nfs/dbraw/zinc/08/48/47/571084847.db2.gz GDLIRWGYVNBHKV-UHFFFAOYSA-N -1 0 423.825 3.537 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC(C)C ZINC000008840844 571124077 /nfs/dbraw/zinc/12/40/77/571124077.db2.gz NBRXFHLNPZTAQX-UHFFFAOYSA-N -1 0 402.516 3.740 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000009002299 571209835 /nfs/dbraw/zinc/20/98/35/571209835.db2.gz WMZQFYREEQXPMJ-UHFFFAOYSA-N -1 0 421.496 3.896 50 0 HHAARM O=C(Nc1ccc(F)c(F)c1)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009151976 571230716 /nfs/dbraw/zinc/23/07/16/571230716.db2.gz XERMNOTZHRJQDY-UHFFFAOYSA-N -1 0 407.373 3.552 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)c1C ZINC000009154333 571231599 /nfs/dbraw/zinc/23/15/99/571231599.db2.gz BUZZCOKYNSWHCD-UHFFFAOYSA-N -1 0 404.423 3.875 50 0 HHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009169078 571233395 /nfs/dbraw/zinc/23/33/95/571233395.db2.gz JGFOQUSOIKBSCY-UHFFFAOYSA-N -1 0 410.879 3.507 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cccc(F)c2)c(C)n1C ZINC000009685303 571279817 /nfs/dbraw/zinc/27/98/17/571279817.db2.gz JKWWYMJKVZWZAO-UHFFFAOYSA-N -1 0 407.511 3.598 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC)cc3)s2)on1 ZINC000009688799 571280202 /nfs/dbraw/zinc/28/02/02/571280202.db2.gz KBVWYIZEGJLIBH-UHFFFAOYSA-N -1 0 406.485 3.943 50 0 HHAARM Cc1cc(C)cc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000009828722 571287065 /nfs/dbraw/zinc/28/70/65/571287065.db2.gz HJTSBRQTWVSYSH-UHFFFAOYSA-N -1 0 401.513 3.742 50 0 HHAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N4CCC[C@@H]4C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002098418 960470570 /nfs/dbraw/zinc/47/05/70/960470570.db2.gz HTIYYGDDAXQOEW-GOSISDBHSA-N -1 0 423.465 3.653 50 0 HHAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000003015217 960476790 /nfs/dbraw/zinc/47/67/90/960476790.db2.gz IMQXNLXFMIABRV-UHFFFAOYSA-N -1 0 414.414 3.577 50 0 HHAARM COc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)ccc1OCC(=O)[O-] ZINC000007925352 961373253 /nfs/dbraw/zinc/37/32/53/961373253.db2.gz LLNMBIXMCXCJLE-ZDLGFXPLSA-N -1 0 403.390 3.656 50 0 HHAARM CCCOc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OC ZINC000008734571 961594065 /nfs/dbraw/zinc/59/40/65/961594065.db2.gz XPOZTTMVNFOOHD-RVDMUPIBSA-N -1 0 406.438 3.836 50 0 HHAARM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000028781864 965180878 /nfs/dbraw/zinc/18/08/78/965180878.db2.gz YOISMVGLTRFDRZ-WEVVVXLNSA-N -1 0 416.318 3.888 50 0 HHAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000033294754 966405137 /nfs/dbraw/zinc/40/51/37/966405137.db2.gz UCLZSNNMQPRJBJ-OQLLNIDSSA-N -1 0 416.842 3.713 50 0 HHAARM COc1cc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)ccc1OCC(=O)[O-] ZINC000096791957 969051581 /nfs/dbraw/zinc/05/15/81/969051581.db2.gz HWSNVXHCGHMSKF-CLFYSBASSA-N -1 0 412.467 3.506 50 0 HHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1 ZINC000000627279 132229336 /nfs/dbraw/zinc/22/93/36/132229336.db2.gz SJVGQWCPONMZKS-UHFFFAOYSA-N -1 0 401.466 3.964 50 0 HHAARM Cc1nc2sc([C@H](c3ccccc3F)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626863 132475223 /nfs/dbraw/zinc/47/52/23/132475223.db2.gz ZNBGEKURAJYAQD-IBGZPJMESA-N -1 0 423.517 3.856 50 0 HHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000045961703 518387009 /nfs/dbraw/zinc/38/70/09/518387009.db2.gz ABCGMUDLZLWIDK-UHFFFAOYSA-N -1 0 406.529 3.768 50 0 HHAARM CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032948588 520494712 /nfs/dbraw/zinc/49/47/12/520494712.db2.gz QNKLFELSRMFBMS-UHFFFAOYSA-N -1 0 420.585 3.774 50 0 HHAARM CSCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)[O-] ZINC000040286739 525588855 /nfs/dbraw/zinc/58/88/55/525588855.db2.gz SNQPCJVIGXXLLI-ZDUSSCGKSA-N -1 0 419.355 3.982 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1ccc2cc(Br)ccc21 ZINC000020427467 526305897 /nfs/dbraw/zinc/30/58/97/526305897.db2.gz QOVVUHKUNBUJQS-KRWDZBQOSA-N -1 0 415.287 3.606 50 0 HHAARM O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000021986536 527648837 /nfs/dbraw/zinc/64/88/37/527648837.db2.gz PQUQPFKXORWNNZ-OAQYLSRUSA-N -1 0 403.434 3.927 50 0 HHAARM COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3N2)cc1OC ZINC000000867081 557106240 /nfs/dbraw/zinc/10/62/40/557106240.db2.gz JJDPPMCQLFWVDK-KCJUWKMLSA-N -1 0 405.760 3.912 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(C)cc3)C2)cc1OC ZINC000000890381 557112275 /nfs/dbraw/zinc/11/22/75/557112275.db2.gz FHIWYPNDYDZZDC-IBGZPJMESA-N -1 0 410.470 3.945 50 0 HHAARM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1ccccc1 ZINC000001088663 557177206 /nfs/dbraw/zinc/17/72/06/557177206.db2.gz QWJSSJJUBFTSEB-IBGZPJMESA-N -1 0 410.499 3.718 50 0 HHAARM COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000001116895 557187800 /nfs/dbraw/zinc/18/78/00/557187800.db2.gz AGEOTSMDLMOHIB-UHFFFAOYSA-N -1 0 417.874 3.797 50 0 HHAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000001293916 557253851 /nfs/dbraw/zinc/25/38/51/557253851.db2.gz SRKYVUHCYSCIHR-UHFFFAOYSA-N -1 0 405.435 3.849 50 0 HHAARM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001295769 557253862 /nfs/dbraw/zinc/25/38/62/557253862.db2.gz WKBREAHLDIKPDY-JMSVASOKSA-N -1 0 404.797 3.505 50 0 HHAARM Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000002119935 557315958 /nfs/dbraw/zinc/31/59/58/557315958.db2.gz IBFULSVAMPGFJW-UHFFFAOYSA-N -1 0 423.396 3.705 50 0 biogenic HHAARM Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000002830470 557397677 /nfs/dbraw/zinc/39/76/77/557397677.db2.gz OMOCXVYIFPLUGK-TVNWYLLRSA-N -1 0 414.889 3.645 50 0 HHAARM Cc1cccc(CNC(=O)CCc2nnc(-c3cccc(OCC(C)C)c3)[n-]c2=O)c1 ZINC000034765646 557462065 /nfs/dbraw/zinc/46/20/65/557462065.db2.gz RCHSLCHVQZPRMB-UHFFFAOYSA-N -1 0 420.513 3.836 50 0 HHAARM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)CC1 ZINC000004147517 557520042 /nfs/dbraw/zinc/52/00/42/557520042.db2.gz CDKCFQOBDRTWOI-UHFFFAOYSA-N -1 0 409.511 3.908 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1)c1ccco1 ZINC000004411759 557552722 /nfs/dbraw/zinc/55/27/22/557552722.db2.gz KWJADGLSNHOXKM-UHFFFAOYSA-N -1 0 408.439 3.518 50 0 HHAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)N1 ZINC000004508746 557561621 /nfs/dbraw/zinc/56/16/21/557561621.db2.gz TYDQYRUAHAVNGH-RIYZIHGNSA-N -1 0 407.651 3.862 50 0 HHAARM CC1(C)[C@@H]2CC[C@@]1(S(=O)(=O)[N-]c1ncccc1OCc1ccccc1)C(=O)C2 ZINC000006349491 557699966 /nfs/dbraw/zinc/69/99/66/557699966.db2.gz LPDWDSNRRKEFEG-IIBYNOLFSA-N -1 0 400.500 3.550 50 0 HHAARM CCOC(=O)c1sc([N-]C(=O)c2onc(C)c2Cl)c(C(=O)OCC)c1C ZINC000006738151 557718274 /nfs/dbraw/zinc/71/82/74/557718274.db2.gz HMNOPWSDXIUARW-UHFFFAOYSA-N -1 0 400.840 3.612 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002765923 557759907 /nfs/dbraw/zinc/75/99/07/557759907.db2.gz RJTBEHDMKQEGKJ-SFTDATJTSA-N -1 0 401.466 3.823 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000009668809 557848050 /nfs/dbraw/zinc/84/80/50/557848050.db2.gz JIMVGRRPCYZLMM-UHFFFAOYSA-N -1 0 410.495 3.768 50 0 HHAARM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020744563 558409234 /nfs/dbraw/zinc/40/92/34/558409234.db2.gz WQFUSGIUMUFUQU-NRFANRHFSA-N -1 0 408.454 3.669 50 0 HHAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)Nc1ccccc1C ZINC000022077379 558462762 /nfs/dbraw/zinc/46/27/62/558462762.db2.gz OMQUANNLINIASA-BQYQJAHWSA-N -1 0 420.259 3.881 50 0 HHAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2cccnc2)cc1 ZINC000013003199 558501310 /nfs/dbraw/zinc/50/13/10/558501310.db2.gz QJYDHTIGPRKTTN-OAQYLSRUSA-N -1 0 414.421 3.991 50 0 HHAARM O=C(NC1CC1)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000013720215 558581371 /nfs/dbraw/zinc/58/13/71/558581371.db2.gz OARZPYWBIJCPOE-UHFFFAOYSA-N -1 0 407.904 3.643 50 0 HHAARM O=C(CSC1=NC(=O)C(Cc2ccccc2F)C([O-])=N1)Nc1ccc(Cl)cc1 ZINC000013957185 558607782 /nfs/dbraw/zinc/60/77/82/558607782.db2.gz UKRSUAPOVHPKIH-UHFFFAOYSA-N -1 0 419.865 3.590 50 0 HHAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(-c3ccccc3Cl)o1)C2=O ZINC000014129330 558623976 /nfs/dbraw/zinc/62/39/76/558623976.db2.gz DUPFHRDWMRKLMR-UHFFFAOYSA-N -1 0 401.850 3.746 50 0 HHAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000030822667 558739046 /nfs/dbraw/zinc/73/90/46/558739046.db2.gz USGCXHFGSJOWIS-ICSRJNTNSA-N -1 0 403.862 3.540 50 0 HHAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000030822669 558739085 /nfs/dbraw/zinc/73/90/85/558739085.db2.gz USGCXHFGSJOWIS-QUCCMNQESA-N -1 0 403.862 3.540 50 0 HHAARM O=C(NCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115361 558761555 /nfs/dbraw/zinc/76/15/55/558761555.db2.gz ZASFDGSFIXTRJB-UHFFFAOYSA-N -1 0 412.536 3.897 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000016096391 558771660 /nfs/dbraw/zinc/77/16/60/558771660.db2.gz XHVFWERWWIEZBV-UHFFFAOYSA-N -1 0 424.478 3.819 50 0 HHAARM COc1cc(C)c(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1OC ZINC000016231659 558780094 /nfs/dbraw/zinc/78/00/94/558780094.db2.gz MNPBSCYPZNRQLQ-UHFFFAOYSA-N -1 0 413.449 3.510 50 0 HHAARM COC(=O)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1C ZINC000016426685 558790641 /nfs/dbraw/zinc/79/06/41/558790641.db2.gz VGBDRJLUXPBUBQ-UHFFFAOYSA-N -1 0 424.478 3.835 50 0 HHAARM COc1cccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCC3)c1 ZINC000017082416 558814591 /nfs/dbraw/zinc/81/45/91/558814591.db2.gz SWZYPKQMCMEPQV-UHFFFAOYSA-N -1 0 402.472 3.691 50 0 HHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082911 558815324 /nfs/dbraw/zinc/81/53/24/558815324.db2.gz OLISTOKEPCXXGI-KGLIPLIRSA-N -1 0 404.532 3.739 50 0 HHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082910 558815338 /nfs/dbraw/zinc/81/53/38/558815338.db2.gz OLISTOKEPCXXGI-ZIAGYGMSSA-N -1 0 404.532 3.739 50 0 HHAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000017089158 558817705 /nfs/dbraw/zinc/81/77/05/558817705.db2.gz NBCMBGKHRJMGEP-HZPDHXFCSA-N -1 0 412.467 3.809 50 0 HHAARM C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017089962 558818429 /nfs/dbraw/zinc/81/84/29/558818429.db2.gz CPXSZJQCVQJXIX-CQSZACIVSA-N -1 0 414.527 3.996 50 0 HHAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@H](C)C3)cc1 ZINC000017090019 558818578 /nfs/dbraw/zinc/81/85/78/558818578.db2.gz YKWZASSGWLHIPS-AWEZNQCLSA-N -1 0 414.527 3.915 50 0 HHAARM Cc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CCCCC2 ZINC000017090669 558819337 /nfs/dbraw/zinc/81/93/37/558819337.db2.gz UDDTWOWYHADDAX-UHFFFAOYSA-N -1 0 416.499 3.617 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)N[C@H](C)c3ccccc3)cc2)no1 ZINC000017090721 558819404 /nfs/dbraw/zinc/81/94/04/558819404.db2.gz UFWVGZDJYRXDRX-CQSZACIVSA-N -1 0 416.528 3.831 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCc2ccccc2-3)[C@@H](C(=O)[O-])C1 ZINC000017093973 558822355 /nfs/dbraw/zinc/82/23/55/558822355.db2.gz YTFMKSKHTNCQDV-IRXDYDNUSA-N -1 0 424.522 3.998 50 0 HHAARM O=C(Nc1ccccc1Cl)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097138575 558996682 /nfs/dbraw/zinc/99/66/82/558996682.db2.gz AMFJQRYAOOEFOX-UHFFFAOYSA-N -1 0 419.872 3.933 50 0 HHAARM O=C([O-])/C=C/C(=O)Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000033330685 559061832 /nfs/dbraw/zinc/06/18/32/559061832.db2.gz BERIQWPSVUXCII-BQYQJAHWSA-N -1 0 420.296 3.899 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccccc3)cc2)n1 ZINC000033341820 559064859 /nfs/dbraw/zinc/06/48/59/559064859.db2.gz DQADLPSRODRHAL-JYRVWZFOSA-N -1 0 408.483 3.546 50 0 HHAARM CCOCCCNC(=O)CCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000004793198 559065801 /nfs/dbraw/zinc/06/58/01/559065801.db2.gz GTHOWUCWKAXCDQ-UHFFFAOYSA-N -1 0 405.545 3.597 50 0 HHAARM COc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2)nc(C)n1 ZINC000011613291 559113938 /nfs/dbraw/zinc/11/39/38/559113938.db2.gz PACKIIFZBJMCTQ-UHFFFAOYSA-N -1 0 414.487 3.655 50 0 HHAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2s1 ZINC000011615631 559114712 /nfs/dbraw/zinc/11/47/12/559114712.db2.gz GSMKAQBKBLONII-UHFFFAOYSA-N -1 0 409.464 3.593 50 0 HHAARM C[S@](=O)(=NC(=O)[N-]C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 ZINC000100217079 559132059 /nfs/dbraw/zinc/13/20/59/559132059.db2.gz TUFNGRLBCCOOID-AREMUKBSSA-N -1 0 405.785 3.761 50 0 HHAARM COc1cc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])cc(OC)c1OC ZINC000004920275 559204969 /nfs/dbraw/zinc/20/49/69/559204969.db2.gz KIYXWBWIZVGYTD-UHFFFAOYSA-N -1 0 418.833 3.727 50 0 HHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CCC)s2)c1=O ZINC000100512717 559214807 /nfs/dbraw/zinc/21/48/07/559214807.db2.gz KSORSWSZNDQRKE-UHFFFAOYSA-N -1 0 400.504 3.954 50 0 HHAARM O=C(COc1ccc(Cl)cc1)NCc1n[n-]c(=S)n1-c1cccc(Cl)c1 ZINC000005128730 559249026 /nfs/dbraw/zinc/24/90/26/559249026.db2.gz RSTJVYHCBUUBTE-UHFFFAOYSA-N -1 0 409.298 3.932 50 0 HHAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])C4=CCC=CC4)c(C)c3cc12 ZINC000011865624 559263818 /nfs/dbraw/zinc/26/38/18/559263818.db2.gz IAIRCRYBEWEPIG-OAQYLSRUSA-N -1 0 407.422 3.544 50 0 HHAARM CCCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000011867468 559264543 /nfs/dbraw/zinc/26/45/43/559264543.db2.gz HTEVFCYEUZCTAQ-IBGZPJMESA-N -1 0 409.438 3.598 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000005184613 559290559 /nfs/dbraw/zinc/29/05/59/559290559.db2.gz MXGMTJYEXGFVJF-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1OC ZINC000061721152 560537010 /nfs/dbraw/zinc/53/70/10/560537010.db2.gz WMPRWXQBXZCNBG-CYBMUJFWSA-N -1 0 410.401 3.806 50 0 HHAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)nn1 ZINC000005204205 560538496 /nfs/dbraw/zinc/53/84/96/560538496.db2.gz PCTZJRMWFYMLHB-UHFFFAOYSA-N -1 0 409.389 3.972 50 0 HHAARM CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)[O-])cc2c3ccccc3[nH]c21 ZINC000061999410 560565255 /nfs/dbraw/zinc/56/52/55/560565255.db2.gz MZNKMTMMGNKMDZ-CYBMUJFWSA-N -1 0 403.438 3.985 50 0 biogenic HHAARM O=C([O-])CCCCCN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000005214858 560625316 /nfs/dbraw/zinc/62/53/16/560625316.db2.gz SLBYDASGFWZCFY-BETQINKTSA-N -1 0 406.485 3.997 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(C)cc2)cc1 ZINC000101298527 560791175 /nfs/dbraw/zinc/79/11/75/560791175.db2.gz WXWLMCBTASNSNN-FQEVSTJZSA-N -1 0 418.453 3.826 50 0 HHAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101417831 560794804 /nfs/dbraw/zinc/79/48/04/560794804.db2.gz SLMWVSVUBSLSDP-IAGOWNOFSA-N -1 0 418.375 3.598 50 0 HHAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)NCc1ccccc1 ZINC000101505335 560796682 /nfs/dbraw/zinc/79/66/82/560796682.db2.gz IIWLFYCPZYLOET-UHFFFAOYSA-N -1 0 404.495 3.869 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cc(F)ccc3C)c([O-])c3cccnc32)c1 ZINC000101722146 560798744 /nfs/dbraw/zinc/79/87/44/560798744.db2.gz ZYACMKWDQXFSSN-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM Cc1cc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)ccc1F ZINC000101722283 560798821 /nfs/dbraw/zinc/79/88/21/560798821.db2.gz XFZPIZJPFZWQQU-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM CC(C)[C@@H](NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1)c1cccs1 ZINC000101791593 560801358 /nfs/dbraw/zinc/80/13/58/560801358.db2.gz YPOFNKGTKQCZPF-GOSISDBHSA-N -1 0 407.561 3.731 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2F)cc1 ZINC000101835759 560803363 /nfs/dbraw/zinc/80/33/63/560803363.db2.gz LRKDDIYQBQEOHQ-LJQANCHMSA-N -1 0 424.407 3.959 50 0 HHAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102479205 560811760 /nfs/dbraw/zinc/81/17/60/560811760.db2.gz SQSQDDNIRROMKL-QZTJIDSGSA-N -1 0 421.844 3.797 50 0 HHAARM COc1cc(OC)c([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)cc1OC ZINC000102750737 560825510 /nfs/dbraw/zinc/82/55/10/560825510.db2.gz UEAVOVVROVZQEM-KRWDZBQOSA-N -1 0 400.435 3.967 50 0 HHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(F)c3)cnn21 ZINC000102810820 560829340 /nfs/dbraw/zinc/82/93/40/560829340.db2.gz AMATWZFYBIUYPT-SFHVURJKSA-N -1 0 422.416 3.657 50 0 HHAARM O=c1c2[n-][nH]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262561 560851476 /nfs/dbraw/zinc/85/14/76/560851476.db2.gz HMUMZTSLUJAYLT-IAGOWNOFSA-N -1 0 400.360 3.692 50 0 HHAARM CN1C(=O)N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139929 560890144 /nfs/dbraw/zinc/89/01/44/560890144.db2.gz OUQNHAQKSAJYBY-XJKCOSOUSA-N -1 0 418.824 3.848 50 0 HHAARM Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC(O)CC2)cc1 ZINC000022852425 568415598 /nfs/dbraw/zinc/41/55/98/568415598.db2.gz CWLLNDFUXASSGD-QGZVFWFLSA-N -1 0 410.499 3.611 50 0 HHAARM CSc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000049003440 568446445 /nfs/dbraw/zinc/44/64/45/568446445.db2.gz MSMAZWQWQOEXLU-UHFFFAOYSA-N -1 0 416.528 3.802 50 0 HHAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)c1 ZINC000049543164 568450971 /nfs/dbraw/zinc/45/09/71/568450971.db2.gz FIIJXTKVGKCWGM-INIZCTEOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4OC)c32)c1 ZINC000049543301 568451120 /nfs/dbraw/zinc/45/11/20/568451120.db2.gz SCGPSHYTVPKROO-INIZCTEOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cc(OC)ccc2OC)CC(=O)N3)c1 ZINC000049543227 568451138 /nfs/dbraw/zinc/45/11/38/568451138.db2.gz OUVWFFUABVWWIX-QGZVFWFLSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000006719484 568457969 /nfs/dbraw/zinc/45/79/69/568457969.db2.gz HQXZAUKEXSPILX-INIZCTEOSA-N -1 0 424.925 3.662 50 0 HHAARM CCc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000095532123 568635417 /nfs/dbraw/zinc/63/54/17/568635417.db2.gz CCVJZRFQMDWFBH-OAQYLSRUSA-N -1 0 410.470 3.809 50 0 HHAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1cccc(C(F)(F)F)c1 ZINC000020618529 568638305 /nfs/dbraw/zinc/63/83/05/568638305.db2.gz YTQPLWZVZLZBGO-UHFFFAOYSA-N -1 0 415.418 3.548 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c(Br)c1 ZINC000225464930 568640514 /nfs/dbraw/zinc/64/05/14/568640514.db2.gz BUUMEVMDNABZSY-UHFFFAOYSA-N -1 0 411.199 3.672 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)s2)on1 ZINC000020994865 568656493 /nfs/dbraw/zinc/65/64/93/568656493.db2.gz JCPVGGBAUHOCPP-UHFFFAOYSA-N -1 0 422.484 3.698 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)on1 ZINC000020994854 568656544 /nfs/dbraw/zinc/65/65/44/568656544.db2.gz UHZIMKDAIAZHDP-UHFFFAOYSA-N -1 0 410.448 3.828 50 0 HHAARM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2cccc(C)c2Br)c1 ZINC000096011290 568684069 /nfs/dbraw/zinc/68/40/69/568684069.db2.gz QBXVIKNRQXUBST-UHFFFAOYSA-N -1 0 412.305 3.664 50 0 HHAARM CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118182 568697759 /nfs/dbraw/zinc/69/77/59/568697759.db2.gz NCUWQEGFHQDSOK-GOEBONIOSA-N -1 0 401.488 3.891 50 0 HHAARM O=S(=O)([N-]CCn1nc(-c2cccs2)cc1C1CC1)c1c(F)cccc1F ZINC000096121620 568699755 /nfs/dbraw/zinc/69/97/55/568699755.db2.gz JQDAOUCBVZUNPS-UHFFFAOYSA-N -1 0 409.483 3.746 50 0 HHAARM COc1ccc2oc(=O)c(-c3csc(NC(=O)c4ccccc4C(=O)[O-])n3)cc2c1 ZINC000096190235 568703289 /nfs/dbraw/zinc/70/32/89/568703289.db2.gz JIPWCIGGSCXZTP-UHFFFAOYSA-N -1 0 422.418 3.876 50 0 HHAARM O=C([O-])[C@@H]1[C@H]([C@@H]2CCCO2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685939986 568722187 /nfs/dbraw/zinc/72/21/87/568722187.db2.gz WEDKHZZJEKIRCR-BVSLBCMMSA-N -1 0 407.466 3.890 50 0 HHAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1I)Cc1ccccc1 ZINC000000864891 568722213 /nfs/dbraw/zinc/72/22/13/568722213.db2.gz HRSWXMXSLMSTKM-CYBMUJFWSA-N -1 0 409.223 3.563 50 0 HHAARM O=C([O-])[C@@H]1[C@@H]2CCC(=O)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000238789992 568726641 /nfs/dbraw/zinc/72/66/41/568726641.db2.gz NIRUKWHZKOUGIS-YGHRGLEHSA-N -1 0 405.450 3.690 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000096361095 568738914 /nfs/dbraw/zinc/73/89/14/568738914.db2.gz NOTFLGACBWMXRO-UHFFFAOYSA-N -1 0 404.879 3.733 50 0 HHAARM Cc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c(F)c1 ZINC000096361239 568739136 /nfs/dbraw/zinc/73/91/36/568739136.db2.gz CYFNFKJCDAOXED-UHFFFAOYSA-N -1 0 408.842 3.564 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(-c2nnc(C3CCC3)o2)c1C ZINC000096379543 568741269 /nfs/dbraw/zinc/74/12/69/568741269.db2.gz NYOITLQPFMYPDD-UHFFFAOYSA-N -1 0 402.476 3.758 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)cc1 ZINC000096379840 568741683 /nfs/dbraw/zinc/74/16/83/568741683.db2.gz QCYYYZABIVEMAM-UHFFFAOYSA-N -1 0 402.476 3.758 50 0 HHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C)[n-]c1=O ZINC000021882688 568757835 /nfs/dbraw/zinc/75/78/35/568757835.db2.gz QTUDZBAZNMFPQD-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccnc1 ZINC000021883101 568758060 /nfs/dbraw/zinc/75/80/60/568758060.db2.gz PTKORTGQBSRTOY-UHFFFAOYSA-N -1 0 410.480 3.744 50 0 HHAARM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022609298 568771781 /nfs/dbraw/zinc/77/17/81/568771781.db2.gz CRHRBHJVUCPEGN-LJQANCHMSA-N -1 0 423.517 3.856 50 0 HHAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022609711 568771813 /nfs/dbraw/zinc/77/18/13/568771813.db2.gz IETXUKOOJJHCNP-SFHVURJKSA-N -1 0 409.490 3.547 50 0 HHAARM [O-]c1c([C@H](c2ccco2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022610102 568771981 /nfs/dbraw/zinc/77/19/81/568771981.db2.gz BJYNNRHLXGGCAD-INIZCTEOSA-N -1 0 415.906 3.654 50 0 HHAARM CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc(Br)c1OC ZINC000005899803 568828790 /nfs/dbraw/zinc/82/87/90/568828790.db2.gz IAVVBHDLIRGDDR-GHXNOFRVSA-N -1 0 414.281 3.501 50 0 HHAARM CCOCCCn1c(=O)c2ccc(C(=O)NC3CCCCCC3)cc2[n-]c1=S ZINC000002972149 568832094 /nfs/dbraw/zinc/83/20/94/568832094.db2.gz XFUSXRBYUBIKAE-UHFFFAOYSA-N -1 0 403.548 3.938 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)cc1 ZINC000006024014 568835553 /nfs/dbraw/zinc/83/55/53/568835553.db2.gz UOHRJXCLURGJIZ-UHFFFAOYSA-N -1 0 404.875 3.972 50 0 HHAARM O=C(Nc1ncccc1O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012528374 568843914 /nfs/dbraw/zinc/84/39/14/568843914.db2.gz KFGXILKVKKCMBQ-UHFFFAOYSA-N -1 0 421.837 3.633 50 0 HHAARM COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000012557477 568856305 /nfs/dbraw/zinc/85/63/05/568856305.db2.gz FUHRMCJXUNAIGV-QGZVFWFLSA-N -1 0 416.886 3.921 50 0 HHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2C(C)C)cc1OC ZINC000003626928 568864885 /nfs/dbraw/zinc/86/48/85/568864885.db2.gz FFUJSBLQNDHRCM-KRWDZBQOSA-N -1 0 401.459 3.538 50 0 HHAARM CCC(=O)Nc1ccc(N(CC)CC)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000012583551 568865631 /nfs/dbraw/zinc/86/56/31/568865631.db2.gz DFMRLGUAHMXZBO-UHFFFAOYSA-N -1 0 405.520 3.691 50 0 HHAARM O=C([O-])c1sc2cccc(F)c2c1CSc1nnnn1-c1ccc(O)cc1 ZINC000012771455 568952090 /nfs/dbraw/zinc/95/20/90/568952090.db2.gz DVBKNDIIPQZSGT-UHFFFAOYSA-N -1 0 402.432 3.712 50 0 HHAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C ZINC000015669331 568960957 /nfs/dbraw/zinc/96/09/57/568960957.db2.gz RJVZNFCAURSKRH-UHFFFAOYSA-N -1 0 419.890 3.517 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(C)n1 ZINC000008195597 568982365 /nfs/dbraw/zinc/98/23/65/568982365.db2.gz BFSYMJPDKCRUDL-UHFFFAOYSA-N -1 0 415.450 3.677 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccccc1F ZINC000001517001 569010081 /nfs/dbraw/zinc/01/00/81/569010081.db2.gz FZWGPNHFEMRHMM-UHFFFAOYSA-N -1 0 422.441 3.822 50 0 HHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000012852397 569010514 /nfs/dbraw/zinc/01/05/14/569010514.db2.gz UKPFGDZDELWCNJ-UHFFFAOYSA-N -1 0 421.394 3.881 50 0 HHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccccc1 ZINC000006146619 569014489 /nfs/dbraw/zinc/01/44/89/569014489.db2.gz HKOMEPHFPUZJSI-UHFFFAOYSA-N -1 0 412.486 3.907 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000006146248 569014515 /nfs/dbraw/zinc/01/45/15/569014515.db2.gz VZAYIBGRCJEVAU-UHFFFAOYSA-N -1 0 410.495 3.816 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C=C(C)C)ccc2OC)cc1 ZINC000015897629 569020303 /nfs/dbraw/zinc/02/03/03/569020303.db2.gz DLQYNJRSDVLXLM-UHFFFAOYSA-N -1 0 404.488 3.799 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(CC)n3)sc2C)cc1 ZINC000035539290 569043700 /nfs/dbraw/zinc/04/37/00/569043700.db2.gz GQQZAEWVCCLFKK-UHFFFAOYSA-N -1 0 421.500 3.646 50 0 HHAARM Cc1cc2oc(-c3ccc4c(c3)OCCO4)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000524729702 569051709 /nfs/dbraw/zinc/05/17/09/569051709.db2.gz FJWPVNSNKLCHPP-UHFFFAOYSA-N -1 0 408.362 3.767 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239174505 569054027 /nfs/dbraw/zinc/05/40/27/569054027.db2.gz QDVGFMMSWZDTEO-VHDGCEQUSA-N -1 0 404.532 3.748 50 0 HHAARM CCCCN1C(=O)NC(=Cc2c(Cc3cccs3)[n-]n(-c3ccccc3)c2=O)C1=O ZINC000016534170 569058434 /nfs/dbraw/zinc/05/84/34/569058434.db2.gz KMQSZOSWJMMFFI-RGEXLXHISA-N -1 0 422.510 3.923 50 0 HHAARM COc1ccc(NC(=S)n2[n-]c(C)c(N=Nc3ccc(Cl)cc3)c2=O)cc1 ZINC000252607302 569060805 /nfs/dbraw/zinc/06/08/05/569060805.db2.gz GZTUSACFCIRMPP-UHFFFAOYSA-N -1 0 401.879 3.732 50 0 HHAARM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1-c1ccc2c(c1)OCCO2 ZINC000089540339 569070021 /nfs/dbraw/zinc/07/00/21/569070021.db2.gz UVZABBQXYCNYQY-UHFFFAOYSA-N -1 0 419.890 3.919 50 0 HHAARM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F ZINC000089544561 569070089 /nfs/dbraw/zinc/07/00/89/569070089.db2.gz XQYBTYKYPXRPKT-UHFFFAOYSA-N -1 0 424.404 3.790 50 0 HHAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690146 569070692 /nfs/dbraw/zinc/07/06/92/569070692.db2.gz XJSQNSJLASWBQM-MKBNYLNASA-N -1 0 406.939 3.911 50 0 HHAARM Cc1cc2oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c2c2occ(-c3ccccc3)c21 ZINC000006624189 569075505 /nfs/dbraw/zinc/07/55/05/569075505.db2.gz GELCWMDWEASHOH-UHFFFAOYSA-N -1 0 405.406 3.566 50 0 biogenic HHAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(C)c21 ZINC000006624222 569075544 /nfs/dbraw/zinc/07/55/44/569075544.db2.gz JAUZDJXGSGVATA-OAQYLSRUSA-N -1 0 419.433 3.949 50 0 biogenic HHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2C)[n-]c1=O ZINC000064774860 569093410 /nfs/dbraw/zinc/09/34/10/569093410.db2.gz HFGNFXKVRQCPHE-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCSCC1)cn2Cc1ccccc1 ZINC000036360485 569151611 /nfs/dbraw/zinc/15/16/11/569151611.db2.gz RQZZNJRKCNYJQU-HXUWFJFHSA-N -1 0 410.495 3.562 50 0 HHAARM O=C([O-])c1c([C@@H](C(=O)[O-])[NH+]2CCSCC2)c2ccccc2n1Cc1ccccc1 ZINC000036360629 569151822 /nfs/dbraw/zinc/15/18/22/569151822.db2.gz CWSKVWFPXMAKMD-IBGZPJMESA-N -1 0 410.495 3.562 50 0 HHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000065183995 569191071 /nfs/dbraw/zinc/19/10/71/569191071.db2.gz BVMGXJBRZOEPTB-UHFFFAOYSA-N -1 0 414.940 3.939 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)n1C ZINC000065194171 569192706 /nfs/dbraw/zinc/19/27/06/569192706.db2.gz AWHKIWNEEXJYIQ-UHFFFAOYSA-N -1 0 400.504 3.987 50 0 HHAARM CCc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(Cl)cc3)c2[nH]c1=O ZINC000065250000 569206061 /nfs/dbraw/zinc/20/60/61/569206061.db2.gz KKIQZHOOEBXULW-UHFFFAOYSA-N -1 0 408.845 3.888 50 0 HHAARM O=c1[nH]c2c(cnn2-c2ccccc2)c([O-])c1-c1nc(-c2cccc(Cl)c2)no1 ZINC000065256945 569208561 /nfs/dbraw/zinc/20/85/61/569208561.db2.gz MZLCQDYVDZMDLL-UHFFFAOYSA-N -1 0 405.801 3.790 50 0 HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(Cl)c1 ZINC000007421500 569237633 /nfs/dbraw/zinc/23/76/33/569237633.db2.gz YYKPPSKAWRAYNX-UHFFFAOYSA-N -1 0 402.785 3.740 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2OCCOC)cc1 ZINC000007505395 569243506 /nfs/dbraw/zinc/24/35/06/569243506.db2.gz BBTLHODROMJJCV-UHFFFAOYSA-N -1 0 419.421 3.930 50 0 HHAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000013575742 569256162 /nfs/dbraw/zinc/25/61/62/569256162.db2.gz GSYJGAHBORHUEZ-ZHZULCJRSA-N -1 0 416.433 3.803 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002104942 569282208 /nfs/dbraw/zinc/28/22/08/569282208.db2.gz MDBZMHWWCZQWBA-PBHICJAKSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)[O-])occ3-c1ccccc1 ZINC000002105194 569282287 /nfs/dbraw/zinc/28/22/87/569282287.db2.gz QNRVUGSWKLINIX-UHFFFAOYSA-N -1 0 405.406 3.648 50 0 biogenic HHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)[O-])occ3-c1ccccc1 ZINC000002107276 569283185 /nfs/dbraw/zinc/28/31/85/569283185.db2.gz FIWUTFDTAXZISI-UHFFFAOYSA-N -1 0 405.406 3.648 50 0 biogenic HHAARM Cc1oc2c(cc3c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002116554 569284726 /nfs/dbraw/zinc/28/47/26/569284726.db2.gz XHNWMFBFCGSZEF-UHFFFAOYSA-N -1 0 419.433 3.875 50 0 biogenic HHAARM Cc1oc2cc3oc(=O)c(CC(=O)NCCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002121010 569285502 /nfs/dbraw/zinc/28/55/02/569285502.db2.gz BAIPGLYJVOUWGG-UHFFFAOYSA-N -1 0 419.433 3.956 50 0 biogenic HHAARM O=C([O-])c1ccc(-n2cccc2/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000002127611 569286348 /nfs/dbraw/zinc/28/63/48/569286348.db2.gz IKVPOLNVUFKFCV-PDGQHHTCSA-N -1 0 407.813 3.926 50 0 HHAARM CCN1C(=O)N/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000002140338 569289293 /nfs/dbraw/zinc/28/92/93/569289293.db2.gz FDYPYAPXFQIVQP-YBEGLDIGSA-N -1 0 400.818 3.530 50 0 HHAARM Cc1ccc(C[C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)C(=O)[O-])cc1 ZINC000170672594 569297841 /nfs/dbraw/zinc/29/78/41/569297841.db2.gz ALBSZMCWUVIVSI-OAHLLOKOSA-N -1 0 412.467 3.575 50 0 HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)c(F)c1 ZINC000007729058 569303509 /nfs/dbraw/zinc/30/35/09/569303509.db2.gz KZAJLCKCEVNWEL-UHFFFAOYSA-N -1 0 403.332 3.970 50 0 HHAARM CCCCc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccco1)CC(C)(C)OC3 ZINC000002287681 569364640 /nfs/dbraw/zinc/36/46/40/569364640.db2.gz QZFJIKWTHBZXNU-UHFFFAOYSA-N -1 0 401.488 3.629 50 0 HHAARM O=S(=O)([N-]c1cnc2c(Br)cccn12)c1ccc(C(F)F)cc1 ZINC000253428828 569368600 /nfs/dbraw/zinc/36/86/00/569368600.db2.gz OJUQINIRYYQTOA-UHFFFAOYSA-N -1 0 402.220 3.835 50 0 HHAARM COc1cccc(/C=C2\NC(=O)[N-]C2=O)c1OCCCOc1ccc(Cl)c(C)c1 ZINC000027552203 569372800 /nfs/dbraw/zinc/37/28/00/569372800.db2.gz KWNVOOHIUYRLNO-ATVHPVEESA-N -1 0 416.861 3.685 50 0 HHAARM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000078995681 569423117 /nfs/dbraw/zinc/42/31/17/569423117.db2.gz MCABNAZCQOSVSU-OAHLLOKOSA-N -1 0 412.795 3.606 50 0 HHAARM CCCCc1c([O-])nc(SCC(=O)N(CC)CC)n(-c2ccc(C)c(C)c2)c1=O ZINC000008694357 571102324 /nfs/dbraw/zinc/10/23/24/571102324.db2.gz BCGCEQMIAFUTKZ-UHFFFAOYSA-N -1 0 417.575 3.858 50 0 HHAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000008977189 571198128 /nfs/dbraw/zinc/19/81/28/571198128.db2.gz YRZIRXXFPGYBJF-UHFFFAOYSA-N -1 0 422.915 3.994 50 0 HHAARM Cc1cccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c12 ZINC000009066489 571218027 /nfs/dbraw/zinc/21/80/27/571218027.db2.gz ZELZARQBBLXMQU-IBGZPJMESA-N -1 0 403.438 3.791 50 0 HHAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009167445 571233240 /nfs/dbraw/zinc/23/32/40/571233240.db2.gz WCEPAIFPIHOKHP-UHFFFAOYSA-N -1 0 406.479 3.788 50 0 HHAARM Cc1ccc(-n2c(SCc3nc(=O)c4sccc4[n-]3)nnc2N2CCCC2)cc1 ZINC000009379483 571253604 /nfs/dbraw/zinc/25/36/04/571253604.db2.gz PRVUIGLXZZLLIE-UHFFFAOYSA-N -1 0 424.555 3.766 50 0 HHAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccccc2Oc2ccccc2)C1=O ZINC000009579114 571270151 /nfs/dbraw/zinc/27/01/51/571270151.db2.gz IZUHMYCVGIUTJI-HSZRJFAPSA-N -1 0 401.422 3.591 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)n1C ZINC000009684931 571279585 /nfs/dbraw/zinc/27/95/85/571279585.db2.gz GAXZIKICGOURJW-UHFFFAOYSA-N -1 0 409.939 3.722 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)s2)on1 ZINC000009688829 571280170 /nfs/dbraw/zinc/28/01/70/571280170.db2.gz LKCKYRCDNZNDJY-UHFFFAOYSA-N -1 0 422.484 3.779 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000009828570 571286784 /nfs/dbraw/zinc/28/67/84/571286784.db2.gz TYVOOPFRJQHNJU-HNNXBMFYSA-N -1 0 415.540 3.672 50 0 HHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc2[nH]ccc2c1 ZINC000013719480 571306562 /nfs/dbraw/zinc/30/65/62/571306562.db2.gz CGSYTFOBOCCYMQ-UHFFFAOYSA-N -1 0 412.496 3.606 50 0 HHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OC)c1=O ZINC000005826142 960788330 /nfs/dbraw/zinc/78/83/30/960788330.db2.gz HNGXELJBSBOMIS-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM O=C([O-])c1ccc(-n2c(/C=C/c3cccc4nccn43)nc3ccccc3c2=O)cc1 ZINC000095972097 969041381 /nfs/dbraw/zinc/04/13/81/969041381.db2.gz OXIJYHPIBCWCSU-OUKQBFOZSA-N -1 0 408.417 3.902 50 0 HHAARM O=C([O-])COc1ccc(C=Nn2cnc3scc(-c4cccs4)c3c2=O)cc1 ZINC000254377874 970570932 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3.894 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000647162 557037087 /nfs/dbraw/zinc/03/70/87/557037087.db2.gz JAOFMRIOTOHYNO-UHFFFAOYSA-N -1 0 409.467 3.698 50 0 HHAARM Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000000754854 557076603 /nfs/dbraw/zinc/07/66/03/557076603.db2.gz VJJAHPPYVAQPER-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000908239 557115604 /nfs/dbraw/zinc/11/56/04/557115604.db2.gz QYZOSGAAQXZUPP-UHFFFAOYSA-N -1 0 408.439 3.584 50 0 HHAARM Cc1ccc(Sc2ccncc2S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1 ZINC000000987841 557133167 /nfs/dbraw/zinc/13/31/67/557133167.db2.gz ISPIWYCWXYUTTQ-UHFFFAOYSA-N -1 0 405.545 3.862 50 0 HHAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000000993364 557136760 /nfs/dbraw/zinc/13/67/60/557136760.db2.gz AHXLKAODOALPHZ-UHFFFAOYSA-N -1 0 403.818 3.573 50 0 HHAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000001027465 557145699 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ZINC000034768791 557463268 /nfs/dbraw/zinc/46/32/68/557463268.db2.gz OEZRJNPZMIMQJQ-UHFFFAOYSA-N -1 0 416.403 3.820 50 0 HHAARM Cc1ccc2c(c1CCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000003811419 557498770 /nfs/dbraw/zinc/49/87/70/557498770.db2.gz HWEOXFSBSQIWSY-MRXNPFEDSA-N -1 0 407.919 3.501 50 0 in-man HHAARM CC(C)[C@]12CC[C@](C)(O1)[C@H](Oc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC000004110246 557514533 /nfs/dbraw/zinc/51/45/33/557514533.db2.gz YVYOHLNJGLJXES-TZZKBORCSA-N -1 0 421.921 3.792 50 0 HHAARM O=C([O-])C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1I ZINC000004801899 557598753 /nfs/dbraw/zinc/59/87/53/557598753.db2.gz AFOJNOGSISSXTJ-CYBMUJFWSA-N -1 0 409.223 3.563 50 0 HHAARM CCOC(=O)C1=C([O-])c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000005022941 557627015 /nfs/dbraw/zinc/62/70/15/557627015.db2.gz REGNSQQPGRGFAB-QGZVFWFLSA-N -1 0 421.902 3.609 50 0 HHAARM CC1=C(C)C[C@H](C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)[C@@H](C(=O)[O-])C1 ZINC000005500202 557658172 /nfs/dbraw/zinc/65/81/72/557658172.db2.gz IYHMWAPEEGFFEQ-HOTGVXAUSA-N -1 0 408.901 3.571 50 0 HHAARM O=C([O-])CCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000006668298 557713238 /nfs/dbraw/zinc/71/32/38/557713238.db2.gz UAIMVOOPXONAJG-QFIPXVFZSA-N -1 0 400.906 3.829 50 0 HHAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2cccnc2)cc1 ZINC000006745081 557718837 /nfs/dbraw/zinc/71/88/37/557718837.db2.gz QJYDHTIGPRKTTN-NRFANRHFSA-N -1 0 414.421 3.991 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008448199 557790514 /nfs/dbraw/zinc/79/05/14/557790514.db2.gz LETMSSKQFGRAKI-JNVBVNAASA-N -1 0 423.468 3.575 50 0 HHAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000009695009 557848558 /nfs/dbraw/zinc/84/85/58/557848558.db2.gz RIDVOOZKDRVASJ-UHFFFAOYSA-N -1 0 415.902 3.607 50 0 HHAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000020745593 558410557 /nfs/dbraw/zinc/41/05/57/558410557.db2.gz IQBKILQSDZOWHP-GFCCVEGCSA-N -1 0 414.405 3.954 50 0 HHAARM CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1 ZINC000012630705 558441879 /nfs/dbraw/zinc/44/18/79/558441879.db2.gz PJILZEYRHHWWSN-LJQANCHMSA-N -1 0 410.499 3.800 50 0 HHAARM CCc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000004356017 558443455 /nfs/dbraw/zinc/44/34/55/558443455.db2.gz XHZVRIOFZPYNLZ-NDENLUEZSA-N -1 0 420.444 3.681 50 0 HHAARM O=C([O-])c1cccc(-c2ccc(C[NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c1 ZINC000012900934 558483662 /nfs/dbraw/zinc/48/36/62/558483662.db2.gz ZYUAMZZRLTXDDM-FQEVSTJZSA-N -1 0 404.422 3.912 50 0 biogenic HHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(-n2cccn2)cc1 ZINC000023194713 558542066 /nfs/dbraw/zinc/54/20/66/558542066.db2.gz FHXUHGBWYNYLSY-UHFFFAOYSA-N -1 0 424.507 3.987 50 0 HHAARM CCOc1ccc(Br)cc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000013941643 558604481 /nfs/dbraw/zinc/60/44/81/558604481.db2.gz XVFXUHNJMGIEGF-UHFFFAOYSA-N -1 0 424.247 3.816 50 0 HHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2Cl)C[C@H]1C(=O)[O-] ZINC000014632451 558662267 /nfs/dbraw/zinc/66/22/67/558662267.db2.gz WQJQRPAZHHZFAW-JQWIXIFHSA-N -1 0 420.687 3.944 50 0 HHAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000026640858 558663886 /nfs/dbraw/zinc/66/38/86/558663886.db2.gz TXFOUFDGVNFIGH-HXUWFJFHSA-N -1 0 415.898 3.981 50 0 HHAARM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cc2NC1=O ZINC000028810689 558705109 /nfs/dbraw/zinc/70/51/09/558705109.db2.gz STJYRXAKZWLBAQ-MRVPVSSYSA-N -1 0 420.796 3.879 50 0 HHAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1cccc2ccccc21 ZINC000004556452 558726139 /nfs/dbraw/zinc/72/61/39/558726139.db2.gz BHKCSEDVWIUVCH-XLIONFOSSA-N -1 0 409.463 3.856 50 0 HHAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002501102 558776603 /nfs/dbraw/zinc/77/66/03/558776603.db2.gz YTLSLXBJQVQBSF-PBHICJAKSA-N -1 0 424.316 3.825 50 0 HHAARM NC(=O)c1c(SCc2ccc(Cl)cc2Cl)sc2c1[nH]c(=O)cc2[O-] ZINC000036357587 558799280 /nfs/dbraw/zinc/79/92/80/558799280.db2.gz NEAQDTGIIYFEQY-UHFFFAOYSA-N -1 0 401.296 3.993 50 0 HHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000016806825 558807597 /nfs/dbraw/zinc/80/75/97/558807597.db2.gz ZSFWPKZKTUPVEP-UHFFFAOYSA-N -1 0 400.891 3.861 50 0 HHAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017087460 558816340 /nfs/dbraw/zinc/81/63/40/558816340.db2.gz BMWHUZSKPRUPHD-LBPRGKRZSA-N -1 0 406.548 3.985 50 0 HHAARM CC1=C(C)C[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](C(=O)[O-])C1 ZINC000017088460 558817184 /nfs/dbraw/zinc/81/71/84/558817184.db2.gz FNGBPKJQMVTSTN-ROUUACIJSA-N -1 0 410.436 3.801 50 0 HHAARM CC1=C(C)C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H](C(=O)[O-])C1 ZINC000017088461 558817191 /nfs/dbraw/zinc/81/71/91/558817191.db2.gz FNGBPKJQMVTSTN-QZTJIDSGSA-N -1 0 410.436 3.801 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017090766 558819394 /nfs/dbraw/zinc/81/93/94/558819394.db2.gz CDAQZPATSIGLSB-GJZGRUSLSA-N -1 0 416.543 3.905 50 0 HHAARM O=S(=O)([N-]c1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cccc2nonc21 ZINC000017093770 558822280 /nfs/dbraw/zinc/82/22/80/558822280.db2.gz IAKQLIJLEPZGHH-UHFFFAOYSA-N -1 0 424.269 3.575 50 0 HHAARM CCc1c(C)sc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C(=O)OC(C)C ZINC000017094046 558822532 /nfs/dbraw/zinc/82/25/32/558822532.db2.gz BOFNVILLSACSDC-UHFFFAOYSA-N -1 0 424.544 3.943 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1 ZINC000033013390 558832825 /nfs/dbraw/zinc/83/28/25/558832825.db2.gz JANGBALUVUCPNN-UHFFFAOYSA-N -1 0 417.487 3.852 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc2nccnc21 ZINC000072314710 558848585 /nfs/dbraw/zinc/84/85/85/558848585.db2.gz KCCYMRFFOUTRFH-SFHVURJKSA-N -1 0 408.845 3.826 50 0 HHAARM CC(C)OCCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000004657966 558872179 /nfs/dbraw/zinc/87/21/79/558872179.db2.gz IDDQBPGGJCAVRJ-UHFFFAOYSA-N -1 0 417.575 3.797 50 0 HHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(CCc2nc3ccccc3n2C)c1 ZINC000033116552 558877684 /nfs/dbraw/zinc/87/76/84/558877684.db2.gz MPTLXGVCTACBSV-UHFFFAOYSA-N -1 0 410.499 3.764 50 0 HHAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3cc(OC)c(OC)c(OC)c3)c2)on1 ZINC000033169538 558902954 /nfs/dbraw/zinc/90/29/54/558902954.db2.gz OTUWOLQZHOGLSU-UHFFFAOYSA-N -1 0 424.500 3.792 50 0 HHAARM CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000065749016 558981579 /nfs/dbraw/zinc/98/15/79/558981579.db2.gz OKAQHVJSXLGXET-NRFANRHFSA-N -1 0 421.501 3.772 50 0 HHAARM [O-]c1c([C@H](c2cccc(F)c2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031252 558985357 /nfs/dbraw/zinc/98/53/57/558985357.db2.gz IZYUABCODVDGLV-IBGZPJMESA-N -1 0 423.517 3.543 50 0 HHAARM Cc1ccc(C2(O)CCN(c3nc(-c4cccc(C)c4)ccc3C(=O)[O-])CC2)nc1 ZINC000067840083 558993682 /nfs/dbraw/zinc/99/36/82/558993682.db2.gz LTSWOZWLEFRGDZ-UHFFFAOYSA-N -1 0 403.482 3.947 50 0 HHAARM Cc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023156806 559022691 /nfs/dbraw/zinc/02/26/91/559022691.db2.gz QJPMUERUSYFBSM-IBGZPJMESA-N -1 0 405.527 3.716 50 0 HHAARM COCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3cccs3)cc21 ZINC000004735745 559034765 /nfs/dbraw/zinc/03/47/65/559034765.db2.gz ACIUOBQRVQYRAM-UHFFFAOYSA-N -1 0 409.485 3.715 50 0 HHAARM COc1ccc(Oc2cc([N-]S(=O)(=O)c3c(C)n[nH]c3C)ccc2OC)cc1 ZINC000023396864 559173775 /nfs/dbraw/zinc/17/37/75/559173775.db2.gz SKWLZBJBASMSHC-UHFFFAOYSA-N -1 0 403.460 3.637 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 ZINC000004884532 559196660 /nfs/dbraw/zinc/19/66/60/559196660.db2.gz WCJIJLGGEBTXNQ-UHFFFAOYSA-N -1 0 418.515 3.584 50 0 HHAARM CSc1nnc2c(n1)O[C@H](c1c(C)[n-]n(-c3ccccc3)c1=O)Nc1ccccc1-2 ZINC000100445068 559202172 /nfs/dbraw/zinc/20/21/72/559202172.db2.gz ANFZYVWQEIFSGG-GOSISDBHSA-N -1 0 418.482 3.963 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)Nc4ccccc4)c3=O)c2c1 ZINC000004950967 559215833 /nfs/dbraw/zinc/21/58/33/559215833.db2.gz FEPCZZQUDYCRTL-UHFFFAOYSA-N -1 0 408.483 3.968 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000005021124 559229227 /nfs/dbraw/zinc/22/92/27/559229227.db2.gz MXASBNLPNWRENT-UPJWGTAASA-N -1 0 404.532 3.604 50 0 HHAARM CCSc1ncc(Br)c(C(=O)[N-]c2nonc2-c2ccc(C)cc2)n1 ZINC000011916191 559267220 /nfs/dbraw/zinc/26/72/20/559267220.db2.gz QZOMHEISGTVXHM-UHFFFAOYSA-N -1 0 420.292 3.962 50 0 HHAARM CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238881471 559271563 /nfs/dbraw/zinc/27/15/63/559271563.db2.gz AACYBGHKLHTHHO-WKILWMFISA-N -1 0 415.486 3.522 50 0 biogenic HHAARM COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1cccs1 ZINC000005205928 560539342 /nfs/dbraw/zinc/53/93/42/560539342.db2.gz WAOOEAGGJNDRMQ-UHFFFAOYSA-N -1 0 407.451 3.526 50 0 HHAARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2cccc(Cl)c2)C1=O ZINC000005432997 560587414 /nfs/dbraw/zinc/58/74/14/560587414.db2.gz BVBGIAHQOCDICY-RIYZIHGNSA-N -1 0 407.651 3.573 50 0 HHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000005602751 560629425 /nfs/dbraw/zinc/62/94/25/560629425.db2.gz ZLLSSWRUMJSRSN-UHFFFAOYSA-N -1 0 406.504 3.761 50 0 HHAARM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C1=O ZINC000101070762 560770775 /nfs/dbraw/zinc/77/07/75/560770775.db2.gz RNEQOLANSDRLKT-ZBFHGGJFSA-N -1 0 419.662 3.703 50 0 HHAARM Cc1ccc2cc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)c(Cl)nc2c1 ZINC000018263436 560785670 /nfs/dbraw/zinc/78/56/70/560785670.db2.gz IGUWQMQMJKPDNZ-UHFFFAOYSA-N -1 0 404.875 3.925 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3F)c([O-])c3cccnc32)c1 ZINC000101722201 560798740 /nfs/dbraw/zinc/79/87/40/560798740.db2.gz DHQYJYBZZLYDDV-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM CCc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(OC)c3)c2=O)cc1 ZINC000101722231 560798748 /nfs/dbraw/zinc/79/87/48/560798748.db2.gz VNEYWVYAFHKZAN-UHFFFAOYSA-N -1 0 415.449 3.915 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c(F)c1 ZINC000101722298 560798829 /nfs/dbraw/zinc/79/88/29/560798829.db2.gz NIRADWOANRBTAY-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3C)c([O-])c3cccnc32)cc1 ZINC000101723376 560799219 /nfs/dbraw/zinc/79/92/19/560799219.db2.gz FQXSXBIXYOLXEQ-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM O=C(Cn1nc2c3cc(F)ccc3[nH]cc-2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101801041 560802030 /nfs/dbraw/zinc/80/20/30/560802030.db2.gz QFKILIJTEZYNMF-UHFFFAOYSA-N -1 0 404.323 3.626 50 0 HHAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2F)c1 ZINC000101835636 560803332 /nfs/dbraw/zinc/80/33/32/560803332.db2.gz DLCYWTQDJUEKOF-GOSISDBHSA-N -1 0 410.380 3.705 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2F)cc1 ZINC000101835768 560803352 /nfs/dbraw/zinc/80/33/52/560803352.db2.gz LRKDDIYQBQEOHQ-IBGZPJMESA-N -1 0 424.407 3.959 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3F)cnn2[C@@H](/C=C/c2ccccc2)C1 ZINC000101835914 560803493 /nfs/dbraw/zinc/80/34/93/560803493.db2.gz UWSAUCCZQKSHEP-NKSUMMKUSA-N -1 0 404.401 3.923 50 0 HHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 ZINC000101836541 560803700 /nfs/dbraw/zinc/80/37/00/560803700.db2.gz HNSCJLQIXNAHPT-LJQANCHMSA-N -1 0 418.453 3.826 50 0 HHAARM C[C@H](NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1)c1ccccc1Cl ZINC000102135021 560808031 /nfs/dbraw/zinc/80/80/31/560808031.db2.gz IGHRZAOGIOTHLL-LBPRGKRZSA-N -1 0 407.923 3.687 50 0 HHAARM O=C(Nc1ccc2c(c1)OCO2)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000102621840 560818346 /nfs/dbraw/zinc/81/83/46/560818346.db2.gz NGNVEZJOPDCAGT-UHFFFAOYSA-N -1 0 400.390 3.677 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2/C=C/c1ccccc1 ZINC000102820856 560829534 /nfs/dbraw/zinc/82/95/34/560829534.db2.gz JRMGVECNOATRBG-PCUGXKRQSA-N -1 0 416.437 3.793 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)cc1 ZINC000102820653 560829584 /nfs/dbraw/zinc/82/95/84/560829584.db2.gz ZWRRYNNSZJBPON-LJQANCHMSA-N -1 0 422.416 3.657 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000101260594 560851513 /nfs/dbraw/zinc/85/15/13/560851513.db2.gz WUCLKLRJAOLQEK-JKSUJKDBSA-N -1 0 417.238 3.703 50 0 HHAARM CCn1c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2sc1=O ZINC000046017680 568423709 /nfs/dbraw/zinc/42/37/09/568423709.db2.gz RROCXYLNPRUGAQ-UHFFFAOYSA-N -1 0 413.318 3.646 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053621 568425364 /nfs/dbraw/zinc/42/53/64/568425364.db2.gz UPAOALYSEKFJPX-UHFFFAOYSA-N -1 0 420.513 3.975 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000046053624 568425377 /nfs/dbraw/zinc/42/53/77/568425377.db2.gz FVWAFPUTILCHEE-UHFFFAOYSA-N -1 0 424.476 3.805 50 0 HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)c3ccccc3)cc2)s1 ZINC000000792437 568481160 /nfs/dbraw/zinc/48/11/60/568481160.db2.gz FIRRTEALCOFVAI-CYBMUJFWSA-N -1 0 416.528 3.644 50 0 HHAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000012347921 568495868 /nfs/dbraw/zinc/49/58/68/568495868.db2.gz GMGJBIYAPINDOT-UHFFFAOYSA-N -1 0 424.526 3.502 50 0 HHAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccn1 ZINC000095750637 568511303 /nfs/dbraw/zinc/51/13/03/568511303.db2.gz NEUYGVQCMBHNIS-INIZCTEOSA-N -1 0 402.450 3.864 50 0 HHAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c(=O)n21 ZINC000033256319 568512663 /nfs/dbraw/zinc/51/26/63/568512663.db2.gz OWJZHFSVZQEBKU-UHFFFAOYSA-N -1 0 421.450 3.605 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N4CCCC[C@H]4C)c3=O)c2c1 ZINC000020330637 568599333 /nfs/dbraw/zinc/59/93/33/568599333.db2.gz IJBMMVQXPWHXNG-CYBMUJFWSA-N -1 0 414.531 3.730 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N[C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000020330303 568599390 /nfs/dbraw/zinc/59/93/90/568599390.db2.gz VOSWJAMWQKCICG-ZDUSSCGKSA-N -1 0 422.510 3.816 50 0 HHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCC1 ZINC000021154085 568673037 /nfs/dbraw/zinc/67/30/37/568673037.db2.gz OYOALOPOOFUKCB-UHFFFAOYSA-N -1 0 403.548 3.550 50 0 HHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c32)cc1 ZINC000096117857 568697570 /nfs/dbraw/zinc/69/75/70/568697570.db2.gz YBAWDEYVTMIGNM-MRXNPFEDSA-N -1 0 402.385 3.732 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012420878 568720507 /nfs/dbraw/zinc/72/05/07/568720507.db2.gz QRPHNOSYIOLKJL-OAQYLSRUSA-N -1 0 418.453 3.571 50 0 HHAARM O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1[O-] ZINC000012422098 568721172 /nfs/dbraw/zinc/72/11/72/568721172.db2.gz NTFGSRDBRUWJMJ-UHFFFAOYSA-N -1 0 408.907 3.863 50 0 HHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(Cl)c2)c1 ZINC000096361128 568739034 /nfs/dbraw/zinc/73/90/34/568739034.db2.gz SPUXNSBKFSAZNB-UHFFFAOYSA-N -1 0 404.879 3.733 50 0 HHAARM Cc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F ZINC000096361235 568739186 /nfs/dbraw/zinc/73/91/86/568739186.db2.gz SKSYEGMQERFONX-UHFFFAOYSA-N -1 0 408.842 3.564 50 0 HHAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)n1 ZINC000096379775 568741577 /nfs/dbraw/zinc/74/15/77/568741577.db2.gz UITUNJGPTRFIAE-UHFFFAOYSA-N -1 0 416.381 3.689 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccs3)C2)c(OC)c1 ZINC000097165286 568769590 /nfs/dbraw/zinc/76/95/90/568769590.db2.gz HNHUEFAIKVABDT-INIZCTEOSA-N -1 0 402.472 3.698 50 0 HHAARM CCN(Cc1ccncc1)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC000002634783 568791881 /nfs/dbraw/zinc/79/18/81/568791881.db2.gz FJTAHGAHMFGGFA-UHFFFAOYSA-N -1 0 414.097 3.975 50 0 HHAARM O=C(CSc1nc(=O)c2sccc2[n-]1)NCc1ccccc1Br ZINC000057477640 568839723 /nfs/dbraw/zinc/83/97/23/568839723.db2.gz YHZJEORQVAIRDE-UHFFFAOYSA-N -1 0 410.318 3.568 50 0 HHAARM O=C(Nc1ccncc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012527218 568843215 /nfs/dbraw/zinc/84/32/15/568843215.db2.gz WLSCVXHUCDOYIY-UHFFFAOYSA-N -1 0 405.838 3.927 50 0 HHAARM O=C(COC(=O)CCCc1nc2ccccc2s1)[N-]C(=O)c1ccccc1Cl ZINC000003434323 568859542 /nfs/dbraw/zinc/85/95/42/568859542.db2.gz USLXAYBBJLBXAW-UHFFFAOYSA-N -1 0 416.886 3.772 50 0 HHAARM CC[C@@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000004026859 568878189 /nfs/dbraw/zinc/87/81/89/568878189.db2.gz HVFXWBGSLISKKU-ZCCHDVMBSA-N -1 0 423.465 3.843 50 0 biogenic HHAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n(-c2ccccc2)n1 ZINC000058363062 568914160 /nfs/dbraw/zinc/91/41/60/568914160.db2.gz PIPXDFQIGNGYHH-UHFFFAOYSA-N -1 0 424.526 3.855 50 0 HHAARM CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000003635197 568921529 /nfs/dbraw/zinc/92/15/29/568921529.db2.gz MWBHOWLAZNJVJF-XDJZYPBNSA-N -1 0 423.468 3.884 50 0 HHAARM O=C(NCCc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000012746955 568932918 /nfs/dbraw/zinc/93/29/18/568932918.db2.gz IFGFYSZUTWZZNF-UHFFFAOYSA-N -1 0 415.902 3.508 50 0 HHAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000004057580 568936717 /nfs/dbraw/zinc/93/67/17/568936717.db2.gz OHUUODRPCFTKFN-LJQANCHMSA-N -1 0 423.517 3.856 50 0 HHAARM CCOc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCC3)cc1 ZINC000004195857 568951393 /nfs/dbraw/zinc/95/13/93/568951393.db2.gz BXPKZWSAHGGGLC-UHFFFAOYSA-N -1 0 402.472 3.691 50 0 HHAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)s1 ZINC000008132062 568975704 /nfs/dbraw/zinc/97/57/04/568975704.db2.gz DDBRHJGPQGGJIN-UHFFFAOYSA-N -1 0 411.870 3.542 50 0 HHAARM COC(=O)c1c(SCC(=O)Nc2cc(C)cc(C)c2)[n-]c2ccc(C)cc2c1=O ZINC000015731504 568982163 /nfs/dbraw/zinc/98/21/63/568982163.db2.gz WNWFSBHGMDUKEJ-UHFFFAOYSA-N -1 0 410.495 3.971 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Br)c1 ZINC000085344971 568982692 /nfs/dbraw/zinc/98/26/92/568982692.db2.gz YVYJMYZIPOMZMT-QGZVFWFLSA-N -1 0 401.260 3.992 50 0 HHAARM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664736 569006574 /nfs/dbraw/zinc/00/65/74/569006574.db2.gz IFAWSFVVNLLADA-UHFFFAOYSA-N -1 0 417.390 3.687 50 0 HHAARM O=C([O-])c1sccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012916247 569022581 /nfs/dbraw/zinc/02/25/81/569022581.db2.gz BMHCVQFBCBWEES-CQSZACIVSA-N -1 0 411.551 3.906 50 0 HHAARM NC(=O)c1cccnc1SCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000012919424 569022863 /nfs/dbraw/zinc/02/28/63/569022863.db2.gz IHZPYOBRGPYIAV-UHFFFAOYSA-N -1 0 412.471 3.577 50 0 HHAARM O=C([O-])C[C@@]1(C(=O)NCc2ccccc2)CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000015973240 569025218 /nfs/dbraw/zinc/02/52/18/569025218.db2.gz GOYCKDQKKVGOQW-LJQANCHMSA-N -1 0 407.253 3.648 50 0 HHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000035397398 569034856 /nfs/dbraw/zinc/03/48/56/569034856.db2.gz LZQITOGPLMOUGQ-UHFFFAOYSA-N -1 0 405.520 3.824 50 0 HHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000035397501 569034926 /nfs/dbraw/zinc/03/49/26/569034926.db2.gz JNZVMMRXBAWXRS-UHFFFAOYSA-N -1 0 421.519 3.606 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000035397602 569034963 /nfs/dbraw/zinc/03/49/63/569034963.db2.gz JZDJIEBNEMANLH-UHFFFAOYSA-N -1 0 417.531 3.968 50 0 HHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000035397507 569034982 /nfs/dbraw/zinc/03/49/82/569034982.db2.gz HWEUXOOSRGDERT-UHFFFAOYSA-N -1 0 405.520 3.824 50 0 HHAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737588 569041657 /nfs/dbraw/zinc/04/16/57/569041657.db2.gz STJZBTOOLUFIJY-MGPUTAFESA-N -1 0 423.465 3.987 50 0 biogenic HHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1 ZINC000035557300 569044776 /nfs/dbraw/zinc/04/47/76/569044776.db2.gz HSVUHFHHIMHRCM-UHFFFAOYSA-N -1 0 419.484 3.653 50 0 HHAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)c1 ZINC000079014687 569064329 /nfs/dbraw/zinc/06/43/29/569064329.db2.gz ZGAPHQMDHMEEFH-UHFFFAOYSA-N -1 0 404.669 3.812 50 0 HHAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006549617 569064920 /nfs/dbraw/zinc/06/49/20/569064920.db2.gz GNGLPBXHQZPIOY-UHFFFAOYSA-N -1 0 410.451 3.511 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)C1 ZINC000064820426 569102473 /nfs/dbraw/zinc/10/24/73/569102473.db2.gz GQHAFJILDYPDHA-OAHLLOKOSA-N -1 0 414.433 3.556 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1 ZINC000065008978 569153287 /nfs/dbraw/zinc/15/32/87/569153287.db2.gz SVAUALOYRRVNMT-UHFFFAOYSA-N -1 0 419.528 3.743 50 0 HHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000065116066 569179700 /nfs/dbraw/zinc/17/97/00/569179700.db2.gz VFAKSMJDIPGEDN-UHFFFAOYSA-N -1 0 415.471 3.726 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000065186554 569192161 /nfs/dbraw/zinc/19/21/61/569192161.db2.gz ZQYTXLZUUIDNRX-UHFFFAOYSA-N -1 0 404.467 3.818 50 0 HHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O ZINC000065215454 569197540 /nfs/dbraw/zinc/19/75/40/569197540.db2.gz HURHNEKQHXXLGM-UHFFFAOYSA-N -1 0 408.863 3.711 50 0 HHAARM O=c1[nH]c2c(cnn2Cc2ccccc2)c([O-])c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000065256933 569208541 /nfs/dbraw/zinc/20/85/41/569208541.db2.gz QFGNPJSDWPWWGU-UHFFFAOYSA-N -1 0 419.828 3.849 50 0 HHAARM O=c1[nH]c2c(cnn2-c2ccccc2)c([O-])c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000065256946 569208572 /nfs/dbraw/zinc/20/85/72/569208572.db2.gz HIYSOAALCLSDCZ-UHFFFAOYSA-N -1 0 405.801 3.790 50 0 HHAARM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592140 569240959 /nfs/dbraw/zinc/24/09/59/569240959.db2.gz JIZKAMZBWRZLAV-HXUWFJFHSA-N -1 0 421.428 3.625 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1)C(F)(F)F ZINC000170617428 569248109 /nfs/dbraw/zinc/24/81/09/569248109.db2.gz KHKGWFYFEGWJIG-UHFFFAOYSA-N -1 0 409.332 3.876 50 0 HHAARM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)NC1CCCC1 ZINC000016840451 569264405 /nfs/dbraw/zinc/26/44/05/569264405.db2.gz CZCWJNJBUUYPLJ-UHFFFAOYSA-N -1 0 418.569 3.656 50 0 HHAARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccnc2ccccc21 ZINC000253399241 569365375 /nfs/dbraw/zinc/36/53/75/569365375.db2.gz CRVXAJCGIKXFKH-OAHLLOKOSA-N -1 0 415.401 3.999 50 0 biogenic HHAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCCCOc1cc(C)ccc1C ZINC000027552198 569372820 /nfs/dbraw/zinc/37/28/20/569372820.db2.gz LMAYENFTPQOKLJ-AQTBWJFISA-N -1 0 410.470 3.730 50 0 HHAARM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)nn2)n1 ZINC000013010056 569407243 /nfs/dbraw/zinc/40/72/43/569407243.db2.gz HPAGTHJFKGCIOY-UHFFFAOYSA-N -1 0 424.461 3.654 50 0 HHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCCC2)ccc1O ZINC000013038242 569407730 /nfs/dbraw/zinc/40/77/30/569407730.db2.gz MKTNATPXEDKHLI-UHFFFAOYSA-N -1 0 424.906 3.925 50 0 HHAARM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@@H]1c1ccccc1 ZINC000013109406 569409258 /nfs/dbraw/zinc/40/92/58/569409258.db2.gz XYOWVOQYORCUKY-GRDNDAEWSA-N -1 0 414.474 3.701 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)NC(C)C)ccc3s2)cc1 ZINC000013347621 569410813 /nfs/dbraw/zinc/41/08/13/569410813.db2.gz MLVUFZCFKOVMOZ-UHFFFAOYSA-N -1 0 404.517 3.935 50 0 HHAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000008862079 571128624 /nfs/dbraw/zinc/12/86/24/571128624.db2.gz CQVKTYMCPVWEKC-UHFFFAOYSA-N -1 0 421.478 3.543 50 0 HHAARM CN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(Cl)cc3)Sc3ccccc3N2)C1=O ZINC000008997174 571209210 /nfs/dbraw/zinc/20/92/10/571209210.db2.gz JYITXVGECNYZHK-DXFLKOCDSA-N -1 0 413.886 3.951 50 0 HHAARM COc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc(C)c2c1 ZINC000009009395 571210034 /nfs/dbraw/zinc/21/00/34/571210034.db2.gz DUWQJOMYCNAUMN-ZDUSSCGKSA-N -1 0 401.426 3.986 50 0 HHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)s1 ZINC000009166320 571232713 /nfs/dbraw/zinc/23/27/13/571232713.db2.gz VOJRWVWJWQJYDC-UHFFFAOYSA-N -1 0 408.545 3.883 50 0 HHAARM CCCN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009171994 571234157 /nfs/dbraw/zinc/23/41/57/571234157.db2.gz FBPUBUUEBNAJLR-UHFFFAOYSA-N -1 0 424.469 3.927 50 0 HHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000009354766 571250832 /nfs/dbraw/zinc/25/08/32/571250832.db2.gz JDDSOVJSPJLDIB-UHFFFAOYSA-N -1 0 418.478 3.991 50 0 HHAARM O=C([N-]c1nnc(SCc2cn3ccccc3n2)s1)c1cc(-c2ccco2)on1 ZINC000070635140 571270393 /nfs/dbraw/zinc/27/03/93/571270393.db2.gz RUTMKKWFSPROPK-UHFFFAOYSA-N -1 0 424.467 3.978 50 0 HHAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C)n1C ZINC000009684745 571279547 /nfs/dbraw/zinc/27/95/47/571279547.db2.gz ZSALYAGRZQFOEL-UHFFFAOYSA-N -1 0 409.939 3.641 50 0 HHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000010516916 571304116 /nfs/dbraw/zinc/30/41/16/571304116.db2.gz AMNBLNWWOBXOQC-UHFFFAOYSA-N -1 0 413.480 3.879 50 0 HHAARM CCC(NCCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000020109943 963383979 /nfs/dbraw/zinc/38/39/79/963383979.db2.gz XTTGIZPJTVCNIZ-VXPUYCOJSA-N -1 0 413.493 3.591 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccccc3)cc2)nc(C)n1 ZINC000034705845 966415602 /nfs/dbraw/zinc/41/56/02/966415602.db2.gz DMOHRMLGADHLJF-JYRVWZFOSA-N -1 0 408.483 3.546 50 0 HHAARM CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(CC(=O)[O-])cc3)nc2)C1 ZINC000071735480 968854146 /nfs/dbraw/zinc/85/41/46/968854146.db2.gz FEFWROKYYIBTQW-FQEVSTJZSA-N -1 0 408.498 3.843 50 0 HHAARM O=C([O-])/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 ZINC000089821733 969038520 /nfs/dbraw/zinc/03/85/20/969038520.db2.gz QQFZGDPIDOGFSI-STZFKDTASA-N -1 0 410.433 3.790 50 0 HHAARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccccc3Br)o2)SC1=S ZINC000096663506 969050191 /nfs/dbraw/zinc/05/01/91/969050191.db2.gz ROBUSKIPRYRSEN-QPEQYQDCSA-N -1 0 424.297 3.995 50 0 HHAARM O=C([O-])COc1ccccc1C=NN1C(=S)N=NC1Cc1cccc2ccccc21 ZINC000254839986 970581173 /nfs/dbraw/zinc/58/11/73/970581173.db2.gz SMVNLBPWJNKXHL-UHFFFAOYSA-N -1 0 418.478 3.656 50 0 HHAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000627075 132229197 /nfs/dbraw/zinc/22/91/97/132229197.db2.gz XPFKIOIITQCARG-YADHBBJMSA-N -1 0 419.525 3.927 50 0 HHAARM Cc1ccc(N2CCN(c3ccc(NC(=O)[C@@H]4CC=CC[C@H]4C(=O)[O-])cc3)CC2)cc1 ZINC000000627089 132229237 /nfs/dbraw/zinc/22/92/37/132229237.db2.gz VICYZKBRPPBXCB-DHIUTWEWSA-N -1 0 419.525 3.927 50 0 HHAARM CCC(Nc1ccc(N(CC)CC)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009111429 132335966 /nfs/dbraw/zinc/33/59/66/132335966.db2.gz PCZNVELNFKUBER-FMQUCBEESA-N -1 0 406.486 3.892 50 0 HHAARM [O-]c1c([C@H](c2cccc(F)c2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022609570 132475077 /nfs/dbraw/zinc/47/50/77/132475077.db2.gz FPTSIVNLXCZOGP-SFHVURJKSA-N -1 0 409.490 3.547 50 0 HHAARM CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC000225695847 519472691 /nfs/dbraw/zinc/47/26/91/519472691.db2.gz UFLDWEGHTOVRRO-UHFFFAOYSA-N -1 0 410.746 3.953 50 0 HHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962052 520436368 /nfs/dbraw/zinc/43/63/68/520436368.db2.gz RHMGTUNAWMGVOO-UHFFFAOYSA-N -1 0 404.488 3.625 50 0 HHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccn2)c(C)c1 ZINC000032751593 524327674 /nfs/dbraw/zinc/32/76/74/524327674.db2.gz BYPDZSMGMBCPLW-UHFFFAOYSA-N -1 0 409.511 3.738 50 0 HHAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000040162357 524662010 /nfs/dbraw/zinc/66/20/10/524662010.db2.gz YJPNGECYNRZPSW-UHFFFAOYSA-N -1 0 423.450 3.895 50 0 HHAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4nsc5ccccc54)CC3)c2c1 ZINC000032088741 525495163 /nfs/dbraw/zinc/49/51/63/525495163.db2.gz NRJPLMDCTBVLHH-FQEVSTJZSA-N -1 0 422.510 3.734 50 0 HHAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccc(Br)cc2)cc1 ZINC000000625337 557021900 /nfs/dbraw/zinc/02/19/00/557021900.db2.gz CZCCUFIGDLENEP-UHFFFAOYSA-N -1 0 420.288 3.882 50 0 HHAARM O=C([O-])c1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000000946318 557123141 /nfs/dbraw/zinc/12/31/41/557123141.db2.gz DFHVCAKPZOKNHX-UHFFFAOYSA-N -1 0 421.634 3.583 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000001033524 557148712 /nfs/dbraw/zinc/14/87/12/557148712.db2.gz INJXCNCKDBMSPK-UHFFFAOYSA-N -1 0 415.450 3.677 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c2ccccc12 ZINC000001427449 557261840 /nfs/dbraw/zinc/26/18/40/557261840.db2.gz LLAPLSBIDAUTBY-UHFFFAOYSA-N -1 0 401.440 3.503 50 0 HHAARM CSCC[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000001795995 557288689 /nfs/dbraw/zinc/28/86/89/557288689.db2.gz VVLBKESFOSFQRN-HNNXBMFYSA-N -1 0 415.920 3.617 50 0 HHAARM CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000001926399 557296866 /nfs/dbraw/zinc/29/68/66/557296866.db2.gz UUDCTFJJMXGWBX-UHFFFAOYSA-N -1 0 410.451 3.709 50 0 HHAARM O=C([O-])c1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 ZINC000002116387 557315506 /nfs/dbraw/zinc/31/55/06/557315506.db2.gz BACDMNWGHOEOCU-WQRHYEAKSA-N -1 0 406.369 3.877 50 0 HHAARM CCOC(=O)c1c(N)nc([N-]c2nc(C)c3ccccc3n2)nc1-c1ccccc1 ZINC000002230916 557329338 /nfs/dbraw/zinc/32/93/38/557329338.db2.gz KLTLIBDILKGKCD-UHFFFAOYSA-N -1 0 400.442 3.898 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccc(F)cc1F)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002271721 557333202 /nfs/dbraw/zinc/33/32/02/557333202.db2.gz NQMASEUOLZMCFK-KRWDZBQOSA-N -1 0 402.319 3.628 50 0 HHAARM C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O ZINC000002868601 557413843 /nfs/dbraw/zinc/41/38/43/557413843.db2.gz UUTBRGSTQJFDOS-AWEZNQCLSA-N -1 0 414.417 3.994 50 0 HHAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O ZINC000034763083 557460350 /nfs/dbraw/zinc/46/03/50/557460350.db2.gz XMYWQFAHZUVHMJ-OAHLLOKOSA-N -1 0 424.476 3.810 50 0 HHAARM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000004195046 557527715 /nfs/dbraw/zinc/52/77/15/557527715.db2.gz WKBREAHLDIKPDY-TYNCELHUSA-N -1 0 404.797 3.505 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c(C)c1 ZINC000004756665 557594231 /nfs/dbraw/zinc/59/42/31/557594231.db2.gz JAVIZQRATKEUJX-INIZCTEOSA-N -1 0 422.934 3.666 50 0 HHAARM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000004809369 557599687 /nfs/dbraw/zinc/59/96/87/557599687.db2.gz RBMROFGIQMFCTI-CQSZACIVSA-N -1 0 417.512 3.658 50 0 HHAARM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000004809368 557599702 /nfs/dbraw/zinc/59/97/02/557599702.db2.gz RBMROFGIQMFCTI-AWEZNQCLSA-N -1 0 417.512 3.658 50 0 HHAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005101177 557635522 /nfs/dbraw/zinc/63/55/22/557635522.db2.gz MOTMVXLFBMXYGN-KGLIPLIRSA-N -1 0 403.431 3.946 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccccc3C)c2C)cc1 ZINC000002759714 557758247 /nfs/dbraw/zinc/75/82/47/557758247.db2.gz FEKHUXIBVZCDMF-UHFFFAOYSA-N -1 0 412.515 3.616 50 0 HHAARM CCn1ccc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)n1 ZINC000002779269 557761530 /nfs/dbraw/zinc/76/15/30/557761530.db2.gz BSPJWSPNHIYQLP-ZDUSSCGKSA-N -1 0 413.547 3.518 50 0 HHAARM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000007843060 557764865 /nfs/dbraw/zinc/76/48/65/557764865.db2.gz JATGEOGDEMCNLI-CQSZACIVSA-N -1 0 417.512 3.658 50 0 HHAARM CCCC[C@H](CC)CNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974452 557775773 /nfs/dbraw/zinc/77/57/73/557775773.db2.gz NRVOCLFUKAJIMY-AWEZNQCLSA-N -1 0 419.547 3.901 50 0 HHAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2ccccc12 ZINC000011635106 558264741 /nfs/dbraw/zinc/26/47/41/558264741.db2.gz XFRAZCROGQXNHI-HXUWFJFHSA-N -1 0 408.479 3.604 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000020730398 558406383 /nfs/dbraw/zinc/40/63/83/558406383.db2.gz JWKPIEFNBMOAQI-HRAATJIYSA-N -1 0 408.454 3.669 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCc2ccco2)c1 ZINC000021220721 558434042 /nfs/dbraw/zinc/43/40/42/558434042.db2.gz BYHATBCSFSUNDM-UHFFFAOYSA-N -1 0 400.456 3.660 50 0 HHAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000004356029 558443398 /nfs/dbraw/zinc/44/33/98/558443398.db2.gz 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CCOc1ccc(NC(=O)C[C@@H]2N=C(Nc3cc(Cl)cc(Cl)c3)N=C2[O-])cc1 ZINC000013729296 558585824 /nfs/dbraw/zinc/58/58/24/558585824.db2.gz IPEVKWHSPKOGDI-INIZCTEOSA-N -1 0 421.284 3.687 50 0 HHAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(OC)cc2)n(C2CCCCC2)c1=O ZINC000013957320 558607903 /nfs/dbraw/zinc/60/79/03/558607903.db2.gz XPUFLKKZFRBTLK-UHFFFAOYSA-N -1 0 417.531 3.756 50 0 HHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(F)(F)F)c(C)c1 ZINC000014870306 558675220 /nfs/dbraw/zinc/67/52/20/558675220.db2.gz DPWQWAJMLIODRT-UHFFFAOYSA-N -1 0 400.422 3.705 50 0 HHAARM Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000015019010 558703088 /nfs/dbraw/zinc/70/30/88/558703088.db2.gz VZGQXKGERFRDNZ-UHFFFAOYSA-N -1 0 408.439 3.657 50 0 HHAARM O=C([O-])c1cnn2c1C[C@H](CNC(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000400426141 558716349 /nfs/dbraw/zinc/71/63/49/558716349.db2.gz YPSUAVXZMTVJPD-OAHLLOKOSA-N -1 0 417.465 3.682 50 0 HHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000030037444 558726658 /nfs/dbraw/zinc/72/66/58/558726658.db2.gz FNSODEZDYUMRIP-UHFFFAOYSA-N -1 0 400.847 3.565 50 0 HHAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)c1ccc(Br)cc1 ZINC000015989352 558765540 /nfs/dbraw/zinc/76/55/40/558765540.db2.gz GJROVPFMSIPPGY-UHFFFAOYSA-N -1 0 417.284 3.676 50 0 HHAARM Cn1c(SCC(=O)[O-])nnc1-c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000022242007 558779282 /nfs/dbraw/zinc/77/92/82/558779282.db2.gz YTLSMQKMCNMAKK-UHFFFAOYSA-N -1 0 402.863 3.565 50 0 HHAARM COc1ccccc1NC(=O)Nc1sc([N-]S(=O)(=O)c2ccccc2)nc1C ZINC000016265239 558781997 /nfs/dbraw/zinc/78/19/97/558781997.db2.gz ZEBGFZDETVVZBQ-UHFFFAOYSA-N -1 0 418.500 3.905 50 0 HHAARM O=C([O-])CSc1nnc(COc2ccccc2)n1-c1ccc(Br)cc1 ZINC000036724667 558801182 /nfs/dbraw/zinc/80/11/82/558801182.db2.gz RSKFYWOZJFWZEJ-UHFFFAOYSA-N -1 0 420.288 3.786 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1 ZINC000032984988 558805354 /nfs/dbraw/zinc/80/53/54/558805354.db2.gz MYUFDFKHWJBFDP-UHFFFAOYSA-N -1 0 420.878 3.515 50 0 HHAARM CCOC(=O)c1c(-c2ccc(C)o2)csc1NC=C1C(=O)N=C([S-])NC1=O ZINC000016995040 558811297 /nfs/dbraw/zinc/81/12/97/558811297.db2.gz CSMDSFFSHRBZBE-UHFFFAOYSA-N -1 0 405.457 3.572 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)C1 ZINC000017082396 558814480 /nfs/dbraw/zinc/81/44/80/558814480.db2.gz JUZAYHZVIIUIAT-CVEARBPZSA-N -1 0 402.472 3.657 50 0 HHAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@@H](C)C2 ZINC000017087441 558816299 /nfs/dbraw/zinc/81/62/99/558816299.db2.gz FVNWFVJGTYFRCU-CHWSQXEVSA-N -1 0 406.548 3.985 50 0 HHAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017089225 558817923 /nfs/dbraw/zinc/81/79/23/558817923.db2.gz PVFSCEJMKFTQQV-HZPDHXFCSA-N -1 0 412.511 3.990 50 0 HHAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017089991 558818398 /nfs/dbraw/zinc/81/83/98/558818398.db2.gz QQVDVGFWZJLTHU-AWEZNQCLSA-N -1 0 414.527 3.996 50 0 HHAARM COc1cccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@H](C)C3)c1 ZINC000017090671 558819313 /nfs/dbraw/zinc/81/93/13/558819313.db2.gz FSYMEWGOSCPFJH-LBPRGKRZSA-N -1 0 416.499 3.937 50 0 HHAARM COc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2c1CCC2 ZINC000017090674 558819401 /nfs/dbraw/zinc/81/94/01/558819401.db2.gz NJXMNBYWORMEGH-GFCCVEGCSA-N -1 0 416.499 3.937 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCc2ccccc2-3)C1 ZINC000017093972 558822332 /nfs/dbraw/zinc/82/23/32/558822332.db2.gz YTFMKSKHTNCQDV-SJORKVTESA-N -1 0 424.522 3.998 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007392 558827599 /nfs/dbraw/zinc/82/75/99/558827599.db2.gz ANULMQNKTPIQAF-HNNXBMFYSA-N -1 0 418.515 3.821 50 0 HHAARM COc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000000665294 558829859 /nfs/dbraw/zinc/82/98/59/558829859.db2.gz GDBYXPBOLOCNIK-STZFKDTASA-N -1 0 421.497 3.897 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000013696316 558855805 /nfs/dbraw/zinc/85/58/05/558855805.db2.gz LDSWBDFPNVPQBQ-UHFFFAOYSA-N -1 0 414.527 3.884 50 0 HHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004613969 558856960 /nfs/dbraw/zinc/85/69/60/558856960.db2.gz WXURSZVIEHWLFE-MCIONIFRSA-N -1 0 418.559 3.994 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cccc(Cl)c1Cl ZINC000010657308 558893740 /nfs/dbraw/zinc/89/37/40/558893740.db2.gz LJQBEGQSUXNPHW-UHFFFAOYSA-N -1 0 410.286 3.783 50 0 HHAARM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000004695978 558905652 /nfs/dbraw/zinc/90/56/52/558905652.db2.gz MKLLKMVJIQEIQP-FHNWIRHTSA-N -1 0 413.451 3.784 50 0 HHAARM CCS(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033253340 558921242 /nfs/dbraw/zinc/92/12/42/558921242.db2.gz IVYOFRABPXSYAD-UHFFFAOYSA-N -1 0 402.516 3.606 50 0 HHAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031291 558985326 /nfs/dbraw/zinc/98/53/26/558985326.db2.gz PRONCPIUCMQTJC-IBGZPJMESA-N -1 0 423.517 3.543 50 0 HHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1 ZINC000060738720 559060627 /nfs/dbraw/zinc/06/06/27/559060627.db2.gz KHJBWKHSUGPHHA-UHFFFAOYSA-N -1 0 411.414 3.868 50 0 HHAARM CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)[O-])C(C)(C)C[C@H]3C ZINC000100079931 559129648 /nfs/dbraw/zinc/12/96/48/559129648.db2.gz WNDDWSAHNYBXKY-CYBMUJFWSA-N -1 0 401.459 3.927 50 0 in-vitro HHAARM O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2cccc(O)c2)c(Cl)c1=O)C3 ZINC000004912705 559204065 /nfs/dbraw/zinc/20/40/65/559204065.db2.gz KDAMRHZWGVHROA-DJCZSRRASA-N -1 0 415.877 3.582 50 0 HHAARM O=C([O-])CCCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000005007677 559226737 /nfs/dbraw/zinc/22/67/37/559226737.db2.gz OMPOAXXMIJVQRE-CYVLTUHYSA-N -1 0 414.889 3.872 50 0 HHAARM C[C@@H]1C[C@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000248098964 559275172 /nfs/dbraw/zinc/27/51/72/559275172.db2.gz ONVIKMVYVZZACB-BDCMKYTISA-N -1 0 421.472 3.502 50 0 HHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)c(OC)c1 ZINC000061718952 559293429 /nfs/dbraw/zinc/29/34/29/559293429.db2.gz SYKIBZLGRFVPEX-AWEZNQCLSA-N -1 0 410.401 3.806 50 0 HHAARM CCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000002606957 560585710 /nfs/dbraw/zinc/58/57/10/560585710.db2.gz HNCWNXZWICHVTR-UHFFFAOYSA-N -1 0 424.482 3.542 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000005510623 560602794 /nfs/dbraw/zinc/60/27/94/560602794.db2.gz PPZCCVUBFFFPBO-ZIAGYGMSSA-N -1 0 402.472 3.816 50 0 HHAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1 ZINC000024345796 560628674 /nfs/dbraw/zinc/62/86/74/560628674.db2.gz BLXMMMGBLRRLBD-UHFFFAOYSA-N -1 0 405.419 3.928 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000005121002 560737025 /nfs/dbraw/zinc/73/70/25/560737025.db2.gz SVSHDGRNIBKCJL-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(C)=N3)cc1 ZINC000100835206 560759644 /nfs/dbraw/zinc/75/96/44/560759644.db2.gz NVSLSCZRXVATGJ-QGZVFWFLSA-N -1 0 415.906 3.959 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(C)=N3)cc1 ZINC000100835204 560759651 /nfs/dbraw/zinc/75/96/51/560759651.db2.gz NVSLSCZRXVATGJ-KRWDZBQOSA-N -1 0 415.906 3.959 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)cc1 ZINC000011693249 560773581 /nfs/dbraw/zinc/77/35/81/560773581.db2.gz RZPAJQGXDYRXTD-UHFFFAOYSA-N -1 0 423.903 3.858 50 0 HHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101418382 560794777 /nfs/dbraw/zinc/79/47/77/560794777.db2.gz NMURZSRHNBTVLE-IRXDYDNUSA-N -1 0 402.376 3.761 50 0 HHAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1F ZINC000101722266 560798738 /nfs/dbraw/zinc/79/87/38/560798738.db2.gz LWFDZRHXWMOACS-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)c(F)c1 ZINC000101722795 560798999 /nfs/dbraw/zinc/79/89/99/560798999.db2.gz HFWNBOAQGSFDLN-UHFFFAOYSA-N -1 0 403.413 3.850 50 0 HHAARM O=C(Nc1ccc(F)cc1F)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723093 560799119 /nfs/dbraw/zinc/79/91/19/560799119.db2.gz BVLSXMRBLRCPDW-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(C)c(F)c3)c([O-])c3cccnc32)cc1 ZINC000101723380 560799249 /nfs/dbraw/zinc/79/92/49/560799249.db2.gz SMODIZVAWGLNGM-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3Cl)cnn21 ZINC000101835714 560803340 /nfs/dbraw/zinc/80/33/40/560803340.db2.gz LGTJPMVZSQIHAW-QGZVFWFLSA-N -1 0 424.844 3.781 50 0 HHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3C)cnn21 ZINC000102810596 560829283 /nfs/dbraw/zinc/82/92/83/560829283.db2.gz HLUQTBPPRIRBGW-IBGZPJMESA-N -1 0 418.453 3.826 50 0 HHAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)c1 ZINC000102820964 560829668 /nfs/dbraw/zinc/82/96/68/560829668.db2.gz URQCKMQIWXHBEY-IBGZPJMESA-N -1 0 406.417 3.875 50 0 HHAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cc(C)cc(C)c3)cnn21 ZINC000102820886 560829670 /nfs/dbraw/zinc/82/96/70/560829670.db2.gz GBTGZTURZVBGRL-IBGZPJMESA-N -1 0 418.453 3.744 50 0 HHAARM Cc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000101801927 560852152 /nfs/dbraw/zinc/85/21/52/560852152.db2.gz GRMRFWSEBCKFCQ-UHFFFAOYSA-N -1 0 407.861 3.535 50 0 HHAARM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccccc1Br ZINC000024576265 560854189 /nfs/dbraw/zinc/85/41/89/560854189.db2.gz YFXHWCUWPNBUOS-UHFFFAOYSA-N -1 0 406.261 3.832 50 0 HHAARM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651251 560869359 /nfs/dbraw/zinc/86/93/59/560869359.db2.gz CDIORBZSJUAOPQ-MSOLQXFVSA-N -1 0 419.474 3.647 50 0 HHAARM O=C([O-])Cc1csc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC000380906751 568416938 /nfs/dbraw/zinc/41/69/38/568416938.db2.gz GXIRZXZBHDXTLC-UHFFFAOYSA-N -1 0 408.479 3.851 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])C1 ZINC000046053330 568425392 /nfs/dbraw/zinc/42/53/92/568425392.db2.gz CUJOCDTWGWNOST-QGZVFWFLSA-N -1 0 410.470 3.725 50 0 HHAARM O=C([O-])c1cn(Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cn1 ZINC000049421787 568450689 /nfs/dbraw/zinc/45/06/89/568450689.db2.gz QNOXBFRCHDRKAY-UHFFFAOYSA-N -1 0 400.232 3.644 50 0 HHAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccccc2OC)CC(=O)N3)c(OC)c1 ZINC000049543194 568451130 /nfs/dbraw/zinc/45/11/30/568451130.db2.gz LVJJAAHJGCZIIJ-HNNXBMFYSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000000670296 568460848 /nfs/dbraw/zinc/46/08/48/568460848.db2.gz IUPCABVTEWHTPM-LJQANCHMSA-N -1 0 410.470 3.945 50 0 HHAARM Cc1cc(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)c(C)[nH]1 ZINC000022614153 568495266 /nfs/dbraw/zinc/49/52/66/568495266.db2.gz FCGYRORKRNRYNT-UHFFFAOYSA-N -1 0 413.890 3.682 50 0 HHAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000012348129 568496025 /nfs/dbraw/zinc/49/60/25/568496025.db2.gz ANJHHWPXUHZAFM-UHFFFAOYSA-N -1 0 424.526 3.502 50 0 HHAARM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000095463881 568622180 /nfs/dbraw/zinc/62/21/80/568622180.db2.gz IFZWJECIGCGPIT-UHFFFAOYSA-N -1 0 403.360 3.618 50 0 HHAARM O=C([O-])c1ccc(N2C(=O)c3cccc4cc(Br)cc(c43)C2=O)cc1O ZINC000095471024 568626411 /nfs/dbraw/zinc/62/64/11/568626411.db2.gz LGPLOSDVVWFXLM-UHFFFAOYSA-N -1 0 412.195 3.807 50 0 HHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCC(C)CC1 ZINC000021030246 568659234 /nfs/dbraw/zinc/65/92/34/568659234.db2.gz AXGPROFRJNQFCI-UHFFFAOYSA-N -1 0 417.575 3.877 50 0 HHAARM O=C([O-])COc1cccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 ZINC000095989477 568677597 /nfs/dbraw/zinc/67/75/97/568677597.db2.gz SMHGQBYUBCPVLR-UHFFFAOYSA-N -1 0 405.454 3.992 50 0 HHAARM CN(CCC(F)(F)F)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000095989931 568677847 /nfs/dbraw/zinc/67/78/47/568677847.db2.gz OFXYPRWWMSCCHE-UHFFFAOYSA-N -1 0 409.286 3.614 50 0 HHAARM CC1(C)CCc2cc(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc2O1 ZINC000096221977 568705421 /nfs/dbraw/zinc/70/54/21/568705421.db2.gz QWCFOOKBJCHFFS-FQEVSTJZSA-N -1 0 406.482 3.626 50 0 biogenic HHAARM O=C([O-])[C@@H]1[C@@H]([C@@H]2CCCO2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685939988 568722183 /nfs/dbraw/zinc/72/21/83/568722183.db2.gz WEDKHZZJEKIRCR-HJNYFJLDSA-N -1 0 407.466 3.890 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)no1 ZINC000000888887 568739824 /nfs/dbraw/zinc/73/98/24/568739824.db2.gz HPPRUPPFHFGSNG-UHFFFAOYSA-N -1 0 417.512 3.905 50 0 HHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)cc1 ZINC000096379622 568741188 /nfs/dbraw/zinc/74/11/88/568741188.db2.gz BDIWDAYILDPNOO-UHFFFAOYSA-N -1 0 400.460 3.562 50 0 HHAARM COc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c1 ZINC000096379686 568741348 /nfs/dbraw/zinc/74/13/48/568741348.db2.gz KNJAVLZZSFCYSM-UHFFFAOYSA-N -1 0 402.476 3.758 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)c(C)c1 ZINC000096379675 568741382 /nfs/dbraw/zinc/74/13/82/568741382.db2.gz DFCSZGMLKRYXLN-UHFFFAOYSA-N -1 0 402.476 3.677 50 0 HHAARM O=C([O-])c1cccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000000939639 568752804 /nfs/dbraw/zinc/75/28/04/568752804.db2.gz WXIYTNYSOPSJRB-UHFFFAOYSA-N -1 0 410.735 3.839 50 0 HHAARM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1O ZINC000086057064 568753690 /nfs/dbraw/zinc/75/36/90/568753690.db2.gz WMMKPLDVANEGDX-HNNXBMFYSA-N -1 0 423.494 3.559 50 0 HHAARM CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000000956486 568757771 /nfs/dbraw/zinc/75/77/71/568757771.db2.gz VJXRDQNQPPQAOG-UHFFFAOYSA-N -1 0 417.512 3.524 50 0 HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000001072815 568768330 /nfs/dbraw/zinc/76/83/30/568768330.db2.gz JZJQBTXPIBBIKJ-LSDHHAIUSA-N -1 0 412.408 3.925 50 0 HHAARM O=C1CCc2cc(S(=O)(=O)[N-]c3cccnc3Oc3ccccc3)c(F)cc2N1 ZINC000055636232 568781149 /nfs/dbraw/zinc/78/11/49/568781149.db2.gz ZDBPHCUIZGJHNB-UHFFFAOYSA-N -1 0 413.430 3.699 50 0 HHAARM CCOC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000005996618 568834731 /nfs/dbraw/zinc/83/47/31/568834731.db2.gz WIOPHIMXKCMKFD-UHFFFAOYSA-N -1 0 417.439 3.587 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)NC3CCCCC3)c(=O)c2cc1OCC ZINC000003010317 568838037 /nfs/dbraw/zinc/83/80/37/568838037.db2.gz HVXOLHLDTNRWDP-UHFFFAOYSA-N -1 0 419.547 3.695 50 0 HHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000012508386 568840131 /nfs/dbraw/zinc/84/01/31/568840131.db2.gz DUDNZQWWGGNYIY-UHFFFAOYSA-N -1 0 400.378 3.513 50 0 HHAARM O=C(NCc1ccncc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000012541899 568848774 /nfs/dbraw/zinc/84/87/74/568848774.db2.gz FFMOTMLSEBLXRO-UHFFFAOYSA-N -1 0 407.904 3.527 50 0 HHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2C(C)C)cc1OC ZINC000003626929 568864880 /nfs/dbraw/zinc/86/48/80/568864880.db2.gz FFUJSBLQNDHRCM-QGZVFWFLSA-N -1 0 401.459 3.538 50 0 HHAARM CN(Cc1cscn1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)[O-] ZINC000299770288 568874219 /nfs/dbraw/zinc/87/42/19/568874219.db2.gz QWVPQHOAWGMGJK-UHFFFAOYSA-N -1 0 412.467 3.634 50 0 HHAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N4CCC[C@H]4C(=O)[O-])c(=O)oc12)CCCC3 ZINC000004061840 568881429 /nfs/dbraw/zinc/88/14/29/568881429.db2.gz HTIYYGDDAXQOEW-SFHVURJKSA-N -1 0 423.465 3.653 50 0 biogenic HHAARM CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000012630235 568883099 /nfs/dbraw/zinc/88/30/99/568883099.db2.gz CIUOUDHATKMFAJ-UHFFFAOYSA-N -1 0 410.499 3.709 50 0 HHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000003343785 568884209 /nfs/dbraw/zinc/88/42/09/568884209.db2.gz LBGHWGSRVLVPLG-UHFFFAOYSA-N -1 0 415.361 3.503 50 0 HHAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003630070 568921080 /nfs/dbraw/zinc/92/10/80/568921080.db2.gz MUIWCFBYAPSJQV-UHFFFAOYSA-N -1 0 415.518 3.858 50 0 HHAARM CCOc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000003631869 568921315 /nfs/dbraw/zinc/92/13/15/568921315.db2.gz YWZWAZGKOFEOJG-UHFFFAOYSA-N -1 0 421.478 3.978 50 0 HHAARM CCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1cc(OC)ccc1OC ZINC000004029344 568934285 /nfs/dbraw/zinc/93/42/85/568934285.db2.gz WWDMXHVDNFWRMO-GCJKJVERSA-N -1 0 408.454 3.522 50 0 biogenic HHAARM O=c1cc(Nc2ccccc2)[nH]n1-c1ccc(Oc2ccccc2)c(S(=O)(=O)[O-])c1 ZINC000004065220 568937591 /nfs/dbraw/zinc/93/75/91/568937591.db2.gz CJFLMQCTXQZOEU-UHFFFAOYSA-N -1 0 423.450 3.888 50 0 HHAARM Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2C1=O ZINC000004113434 568944166 /nfs/dbraw/zinc/94/41/66/568944166.db2.gz QFQYYRZFOAVOBP-UHFFFAOYSA-N -1 0 400.390 3.746 50 0 HHAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000004158665 568947416 /nfs/dbraw/zinc/94/74/16/568947416.db2.gz XONKGQCUNUTJQV-UHFFFAOYSA-N -1 0 415.471 3.743 50 0 HHAARM O=S(=O)([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(F)c(Cl)c1 ZINC000015671385 568962051 /nfs/dbraw/zinc/96/20/51/568962051.db2.gz WTAQYLFGTROYQL-UHFFFAOYSA-N -1 0 401.250 3.573 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015730488 568980913 /nfs/dbraw/zinc/98/09/13/568980913.db2.gz GEUXTPXJZYSEJT-SNVBAGLBSA-N -1 0 412.920 3.972 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccccc2OC)c1 ZINC000008195461 568982259 /nfs/dbraw/zinc/98/22/59/568982259.db2.gz WOVGVKZABYERMF-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000008429622 569002783 /nfs/dbraw/zinc/00/27/83/569002783.db2.gz HIOPXELMASKTPX-UHFFFAOYSA-N -1 0 413.433 3.704 50 0 HHAARM O=C([O-])CSc1nnc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000015838461 569013655 /nfs/dbraw/zinc/01/36/55/569013655.db2.gz SDSRHAPMTXVYEH-UHFFFAOYSA-N -1 0 404.289 3.933 50 0 HHAARM C/C(SCC(=O)[O-])=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000001001178 569029541 /nfs/dbraw/zinc/02/95/41/569029541.db2.gz LGPBGRKBHQMCHG-YRNVUSSQSA-N -1 0 401.391 3.653 50 0 HHAARM Cc1nc(SCC(=O)Nc2cccc(C(=O)[O-])c2)[nH]c(=O)c1Cc1ccccc1 ZINC000035339586 569033426 /nfs/dbraw/zinc/03/34/26/569033426.db2.gz XNDDBAUJWSTSLS-UHFFFAOYSA-N -1 0 409.467 3.510 50 0 HHAARM CSc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c1 ZINC000035378109 569034279 /nfs/dbraw/zinc/03/42/79/569034279.db2.gz UWSVITZWMFVNLK-UHFFFAOYSA-N -1 0 407.904 3.613 50 0 HHAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000035397445 569034872 /nfs/dbraw/zinc/03/48/72/569034872.db2.gz JKUCJKZAFISFCW-UHFFFAOYSA-N -1 0 423.922 3.923 50 0 HHAARM COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)[n-]c2=O)cc1 ZINC000012986823 569047422 /nfs/dbraw/zinc/04/74/22/569047422.db2.gz FCSLHGSTYMAMPM-SFHVURJKSA-N -1 0 422.510 3.539 50 0 HHAARM COC(=O)c1cccc(CS(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000089406928 569059342 /nfs/dbraw/zinc/05/93/42/569059342.db2.gz YHHUIPRIOJLWNK-UHFFFAOYSA-N -1 0 423.903 3.587 50 0 HHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2)[n-]c1=O ZINC000064774466 569093383 /nfs/dbraw/zinc/09/33/83/569093383.db2.gz KXDDISUAJKNKQB-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000064843223 569107103 /nfs/dbraw/zinc/10/71/03/569107103.db2.gz VZQRADRSRLOMFW-UHFFFAOYSA-N -1 0 405.520 3.940 50 0 HHAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)on1 ZINC000064845558 569108100 /nfs/dbraw/zinc/10/81/00/569108100.db2.gz FCEYUBWJFHFUCT-UHFFFAOYSA-N -1 0 406.485 3.900 50 0 HHAARM CCCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)cc2sc1=O ZINC000064946819 569128560 /nfs/dbraw/zinc/12/85/60/569128560.db2.gz FJWABIFSBHLMLU-UHFFFAOYSA-N -1 0 412.920 3.936 50 0 HHAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000036352627 569147461 /nfs/dbraw/zinc/14/74/61/569147461.db2.gz PQVBOOJULUOQGW-UHFFFAOYSA-N -1 0 418.906 3.902 50 0 HHAARM CN1c2ccc(F)cc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036367323 569152908 /nfs/dbraw/zinc/15/29/08/569152908.db2.gz AXMQOEOCZDRPSO-QFIPXVFZSA-N -1 0 422.437 3.857 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866722 569159003 /nfs/dbraw/zinc/15/90/03/569159003.db2.gz USDKZRWKVIELHS-AWEZNQCLSA-N -1 0 400.500 3.574 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)c(C)n2CC)o1 ZINC000065186609 569192256 /nfs/dbraw/zinc/19/22/56/569192256.db2.gz FLUVEFOUTBOIKI-UHFFFAOYSA-N -1 0 418.519 3.855 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)c1 ZINC000065246464 569205546 /nfs/dbraw/zinc/20/55/46/569205546.db2.gz KTIDRKXIAAGVAT-UHFFFAOYSA-N -1 0 419.459 3.805 50 0 HHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccc1Br ZINC000036623982 569212702 /nfs/dbraw/zinc/21/27/02/569212702.db2.gz JJAHKVQQCFCQHI-YOEHRIQHSA-N -1 0 424.316 3.825 50 0 HHAARM COc1ccc2nc(C)cc(SC[C@@H](NC(=O)c3cccs3)C(=O)[O-])c2c1 ZINC000238923530 569228455 /nfs/dbraw/zinc/22/84/55/569228455.db2.gz OLUZXPLNHBRQQN-OAHLLOKOSA-N -1 0 402.497 3.589 50 0 HHAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000007505382 569243411 /nfs/dbraw/zinc/24/34/11/569243411.db2.gz XSMMFSSZLFHTLA-CYBMUJFWSA-N -1 0 407.488 3.805 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3Cl)C2)c1 ZINC000170615612 569247355 /nfs/dbraw/zinc/24/73/55/569247355.db2.gz ACSQOWMOZCFZBW-IBGZPJMESA-N -1 0 416.861 3.900 50 0 HHAARM Cc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4[nH]c3=O)C2)c1 ZINC000170620234 569248726 /nfs/dbraw/zinc/24/87/26/569248726.db2.gz NIIQAVYTQLXJDV-FQEVSTJZSA-N -1 0 417.465 3.687 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3cccc(F)c3)cs2)cc1 ZINC000016848608 569265366 /nfs/dbraw/zinc/26/53/66/569265366.db2.gz PBDKGBGPGDEJRB-UHFFFAOYSA-N -1 0 419.503 3.963 50 0 HHAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000002108341 569283694 /nfs/dbraw/zinc/28/36/94/569283694.db2.gz OBMAGMUWXPNRSR-HOTGVXAUSA-N -1 0 417.502 3.889 50 0 biogenic HHAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@@H](C)C(=O)[O-])c(C)c4cc32)cc1 ZINC000002128799 569286398 /nfs/dbraw/zinc/28/63/98/569286398.db2.gz TVPMVMKMEIGGDH-AWEZNQCLSA-N -1 0 419.433 3.955 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCCC)C(=O)[O-])ccc12 ZINC000002156504 569290372 /nfs/dbraw/zinc/29/03/72/569290372.db2.gz QFGAYCFKFXEBLG-YJBOKZPZSA-N -1 0 417.502 3.971 50 0 biogenic HHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)ccc1Br ZINC000007726671 569303339 /nfs/dbraw/zinc/30/33/39/569303339.db2.gz JRGNZSWVWWBQJN-UHFFFAOYSA-N -1 0 409.305 3.685 50 0 HHAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000007728403 569303684 /nfs/dbraw/zinc/30/36/84/569303684.db2.gz FBBIAIMDVSBBDU-GOSISDBHSA-N -1 0 410.495 3.549 50 0 HHAARM CCOC(=O)[C@@]([N-]c1ccc(F)cc1F)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000002306314 569372551 /nfs/dbraw/zinc/37/25/51/569372551.db2.gz YDARRRHOODDGAW-QGZVFWFLSA-N -1 0 420.309 3.768 50 0 HHAARM O=C([O-])/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1 ZINC000002344716 569376595 /nfs/dbraw/zinc/37/65/95/569376595.db2.gz BLPBYUAREMOSRM-JXMROGBWSA-N -1 0 415.037 3.660 50 0 HHAARM CC(C)CNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349442 569411012 /nfs/dbraw/zinc/41/10/12/569411012.db2.gz DBMLDZKUHNIHIJ-UHFFFAOYSA-N -1 0 404.517 3.875 50 0 HHAARM O=C([O-])[C@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000013397957 569413329 /nfs/dbraw/zinc/41/33/29/569413329.db2.gz BDYIMMKEYGWJGV-QGZVFWFLSA-N -1 0 419.359 3.630 50 0 HHAARM CCOC(=O)C1=CN(c2ccc(C(=O)[O-])cc2)C=C(C(=O)OCC)C1c1ccccc1 ZINC000008717060 571105424 /nfs/dbraw/zinc/10/54/24/571105424.db2.gz CBWJLIQBXGLNTN-UHFFFAOYSA-N -1 0 421.449 3.883 50 0 HHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC[C@H](C(=O)[O-])C4)c(C)c3cc2c1C ZINC000008764411 571114693 /nfs/dbraw/zinc/11/46/93/571114693.db2.gz UGPOBHVLQDNBMF-HNNXBMFYSA-N -1 0 411.454 3.720 50 0 biogenic HHAARM C[C@H](Cc1cccc(Cl)c1)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000040113087 571171252 /nfs/dbraw/zinc/17/12/52/571171252.db2.gz FCCVAIINQFMEGY-CYBMUJFWSA-N -1 0 401.919 3.850 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2OC)cc1 ZINC000040146698 571196447 /nfs/dbraw/zinc/19/64/47/571196447.db2.gz TVTAPHWIADTXON-UHFFFAOYSA-N -1 0 400.294 3.966 50 0 HHAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2C1 ZINC000008977257 571198225 /nfs/dbraw/zinc/19/82/25/571198225.db2.gz YQWWABGKLFJPLU-UHFFFAOYSA-N -1 0 416.499 3.887 50 0 HHAARM C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc(Br)c1)N2 ZINC000245296652 571223450 /nfs/dbraw/zinc/22/34/50/571223450.db2.gz NDZLOPNPLGWVKM-MURWCNHISA-N -1 0 405.214 3.948 50 0 HHAARM O=C(Nc1ccc(F)cc1)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009151983 571230772 /nfs/dbraw/zinc/23/07/72/571230772.db2.gz XQCFEMYUSYCKAN-UHFFFAOYSA-N -1 0 405.838 3.927 50 0 HHAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccccc1Cl ZINC000009300253 571246002 /nfs/dbraw/zinc/24/60/02/571246002.db2.gz XYPGFURXUAKQOE-UHFFFAOYSA-N -1 0 402.859 3.699 50 0 HHAARM CCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3cc(C)ccc3nc21 ZINC000009546077 571267692 /nfs/dbraw/zinc/26/76/92/571267692.db2.gz XPSXIPLDBQRCTN-UHFFFAOYSA-N -1 0 423.498 3.672 50 0 HHAARM CCOC(=O)[C@@H](CC)Sc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000070635158 571270434 /nfs/dbraw/zinc/27/04/34/571270434.db2.gz GGNPEDFMNITUKO-CQSZACIVSA-N -1 0 418.500 3.879 50 0 HHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000009646345 571276428 /nfs/dbraw/zinc/27/64/28/571276428.db2.gz FMKNDOPWCKVPJB-UHFFFAOYSA-N -1 0 407.469 3.506 50 0 HHAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)n1C ZINC000009684668 571279558 /nfs/dbraw/zinc/27/95/58/571279558.db2.gz DIJVDQHAOKCAOW-UHFFFAOYSA-N -1 0 409.939 3.641 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)n1C ZINC000009685058 571279708 /nfs/dbraw/zinc/27/97/08/571279708.db2.gz IGFHMPHUROUKIV-UHFFFAOYSA-N -1 0 417.575 3.994 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1 ZINC000009686734 571279999 /nfs/dbraw/zinc/27/99/99/571279999.db2.gz MPVWRGHTXQORJT-UHFFFAOYSA-N -1 0 405.501 3.733 50 0 HHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NC1CCCCC1 ZINC000009828504 571286873 /nfs/dbraw/zinc/28/68/73/571286873.db2.gz ICGBZTWPRHVDAL-UHFFFAOYSA-N -1 0 413.952 3.589 50 0 HHAARM CCOc1ccccc1NC(=O)c1c[n-]c2c(c(C)nn2-c2ccc(C)cc2)c1=O ZINC000010166815 571295744 /nfs/dbraw/zinc/29/57/44/571295744.db2.gz ZQVVQPGNRYHFMU-UHFFFAOYSA-N -1 0 402.454 3.982 50 0 HHAARM COc1ccc(NC(=O)Nc2sc([N-]S(=O)(=O)c3ccccc3)nc2C)cc1 ZINC000000810179 571309197 /nfs/dbraw/zinc/30/91/97/571309197.db2.gz LKTPDNXKHLKYMW-UHFFFAOYSA-N -1 0 418.500 3.905 50 0 HHAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737585 960466883 /nfs/dbraw/zinc/46/68/83/960466883.db2.gz STJZBTOOLUFIJY-YWZLYKJASA-N -1 0 423.465 3.987 50 0 HHAARM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000004884908 960623609 /nfs/dbraw/zinc/62/36/09/960623609.db2.gz NPNFKXKRJDMUIU-UHFFFAOYSA-N -1 0 415.471 3.662 50 0 HHAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000043732469 967021056 /nfs/dbraw/zinc/02/10/56/967021056.db2.gz MNKPCLYBMPIUSC-PBHICJAKSA-N -1 0 412.914 3.564 50 0 HHAARM O=C([O-])COc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000098004061 969184611 /nfs/dbraw/zinc/18/46/11/969184611.db2.gz WIOOJEDGTGZWFK-XNTDXEJSSA-N -1 0 415.858 3.991 50 0 HHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)c(Br)cc2C[C@H]1C ZINC000040450725 519639019 /nfs/dbraw/zinc/63/90/19/519639019.db2.gz XTMVRXKERYMHQJ-GFCCVEGCSA-N -1 0 423.332 3.856 50 0 HHAARM CCCC(=O)Nc1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C(=O)[O-] ZINC000045967625 519878434 /nfs/dbraw/zinc/87/84/34/519878434.db2.gz ASAPYWBGUGDUIT-UHFFFAOYSA-N -1 0 409.486 3.653 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962107 521210355 /nfs/dbraw/zinc/21/03/55/521210355.db2.gz RZFRIZDUXZGJJD-UHFFFAOYSA-N -1 0 418.515 3.965 50 0 HHAARM CNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032903091 524080049 /nfs/dbraw/zinc/08/00/49/524080049.db2.gz FXIRTIQMGVUVMQ-UHFFFAOYSA-N -1 0 407.801 3.911 50 0 HHAARM O=C([O-])COc1ccccc1[C@@H]1SCC(=O)Nc2c1cnn2Cc1cccs1 ZINC000095479866 527619979 /nfs/dbraw/zinc/61/99/79/527619979.db2.gz JETWHIOQKXPEJM-SFHVURJKSA-N -1 0 415.496 3.881 50 0 HHAARM CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccc(Cl)cc32)cc1 ZINC000001399710 535121184 /nfs/dbraw/zinc/12/11/84/535121184.db2.gz SWTUYKWSVHAWRJ-QGZVFWFLSA-N -1 0 409.891 3.678 50 0 HHAARM CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000000684677 557058031 /nfs/dbraw/zinc/05/80/31/557058031.db2.gz BYAODLCHIRSVLB-IBGZPJMESA-N -1 0 422.466 3.793 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)no1 ZINC000001027713 557145661 /nfs/dbraw/zinc/14/56/61/557145661.db2.gz GOAVMKJONQWPRR-UHFFFAOYSA-N -1 0 409.826 3.829 50 0 HHAARM COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000001034310 557149323 /nfs/dbraw/zinc/14/93/23/557149323.db2.gz NWXVARQSYLMQSH-UHFFFAOYSA-N -1 0 417.830 3.596 50 0 HHAARM O=S(=O)([N-]NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000001041761 557153726 /nfs/dbraw/zinc/15/37/26/557153726.db2.gz LGEDIEHOHYUOKZ-UHFFFAOYSA-N -1 0 409.842 3.539 50 0 HHAARM CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1Br ZINC000001151770 557211366 /nfs/dbraw/zinc/21/13/66/557211366.db2.gz BUYVUSMIXYZXJJ-UHFFFAOYSA-N -1 0 423.288 3.673 50 0 HHAARM CCOc1ccc(NC(=S)N2[C@H](c3ccccc3)c3nc[nH]c3C[C@H]2C(=O)[O-])cc1 ZINC000022628254 557271344 /nfs/dbraw/zinc/27/13/44/557271344.db2.gz XZAMAKCMQACMRJ-AZUAARDMSA-N -1 0 422.510 3.606 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1C(F)(F)F)(NC(C)=O)C(F)(F)F ZINC000002344629 557338822 /nfs/dbraw/zinc/33/88/22/557338822.db2.gz QDEUCTBZZLTRQV-GFCCVEGCSA-N -1 0 406.710 3.729 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000002391118 557343806 /nfs/dbraw/zinc/34/38/06/557343806.db2.gz VEVIIGJEOXYKAV-SFHVURJKSA-N -1 0 414.458 3.956 50 0 HHAARM Cc1occc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000002746124 557377180 /nfs/dbraw/zinc/37/71/80/557377180.db2.gz OUUNDYJHZWTZPK-UHFFFAOYSA-N -1 0 408.439 3.584 50 0 HHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000004371462 557548053 /nfs/dbraw/zinc/54/80/53/557548053.db2.gz DRRNRZZYOYVPMU-AWEZNQCLSA-N -1 0 411.357 3.708 50 0 HHAARM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O ZINC000004472182 557556763 /nfs/dbraw/zinc/55/67/63/557556763.db2.gz MRLTXEYLPCUWFS-YAFRSCOQSA-N -1 0 415.423 3.633 50 0 HHAARM CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O ZINC000004599798 557571147 /nfs/dbraw/zinc/57/11/47/557571147.db2.gz DWVPBIAZYLCVIC-UHFFFAOYSA-N -1 0 400.818 3.685 50 0 HHAARM O=C([O-])[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000004718041 557586355 /nfs/dbraw/zinc/58/63/55/557586355.db2.gz SJPXJSANXSAHSU-SFHVURJKSA-N -1 0 413.426 3.699 50 0 HHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccccc2Br)C1=O ZINC000004821375 557603087 /nfs/dbraw/zinc/60/30/87/557603087.db2.gz DAQOFBQHPDRZPZ-AWEZNQCLSA-N -1 0 406.257 3.572 50 0 HHAARM CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000004970369 557618513 /nfs/dbraw/zinc/61/85/13/557618513.db2.gz CYZFMFAHGOWYSL-UHFFFAOYSA-N -1 0 415.471 3.825 50 0 HHAARM O=C1c2cccc3cccc(c32)C(=O)N1CCc1n[n-]c(=S)n1-c1ccccc1 ZINC000006400002 557701358 /nfs/dbraw/zinc/70/13/58/557701358.db2.gz AYAUBWSUZRFVQO-UHFFFAOYSA-N -1 0 400.463 3.922 50 0 HHAARM COc1cc(C(=O)[O-])cc(I)c1OCc1ccccc1F ZINC000007604005 557750985 /nfs/dbraw/zinc/75/09/85/557750985.db2.gz YOJKQRHWUJYCAV-UHFFFAOYSA-N -1 0 402.159 3.716 50 0 HHAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1C)C(F)(F)F ZINC000009111599 557824324 /nfs/dbraw/zinc/82/43/24/557824324.db2.gz WUVMDOTXWZTAOT-SFHVURJKSA-N -1 0 423.416 3.878 50 0 HHAARM C[C@@H](SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)C(=O)Nc1cccc(Cl)c1 ZINC000010059010 557854550 /nfs/dbraw/zinc/85/45/50/557854550.db2.gz CECFKIGPQZTEMT-GFCCVEGCSA-N -1 0 415.902 3.839 50 0 HHAARM CCc1[n-]n2c(nc(CSc3nnc(C)s3)cc2=O)c1-c1ccc(OC)cc1 ZINC000010338925 557861363 /nfs/dbraw/zinc/86/13/63/557861363.db2.gz NWLZXWRBTMCWTK-UHFFFAOYSA-N -1 0 413.528 3.713 50 0 HHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000019770900 558279814 /nfs/dbraw/zinc/27/98/14/558279814.db2.gz VHXSPZGBBNNSHL-CQSZACIVSA-N -1 0 406.257 3.572 50 0 HHAARM COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000012349932 558386619 /nfs/dbraw/zinc/38/66/19/558386619.db2.gz RLOQVEYWQKSTEL-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM Cc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccc(F)cc3)c4=O)c2c1 ZINC000012408251 558399138 /nfs/dbraw/zinc/39/91/38/558399138.db2.gz LKHHWJXCMGMFOX-UHFFFAOYSA-N -1 0 416.456 3.960 50 0 HHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2Br)cc1OC ZINC000012412057 558401170 /nfs/dbraw/zinc/40/11/70/558401170.db2.gz SOPTYSZFMMDVKH-OAHLLOKOSA-N -1 0 422.275 3.802 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000020723060 558403582 /nfs/dbraw/zinc/40/35/82/558403582.db2.gz JKPNAPSLYBTZHJ-HRAATJIYSA-N -1 0 408.454 3.669 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(c2ccccc2)CC1 ZINC000020745269 558409930 /nfs/dbraw/zinc/40/99/30/558409930.db2.gz RFNHMFOMWWHEQO-LJQANCHMSA-N -1 0 414.303 3.878 50 0 HHAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004345739 558427335 /nfs/dbraw/zinc/42/73/35/558427335.db2.gz OBKVEWXYULGGIQ-STZFKDTASA-N -1 0 416.481 3.932 50 0 HHAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000012648373 558443631 /nfs/dbraw/zinc/44/36/31/558443631.db2.gz KIHDUTMNOVGCPQ-IAGOWNOFSA-N -1 0 406.479 3.546 50 0 HHAARM O=S(=O)([N-]c1cc(F)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000012824767 558477778 /nfs/dbraw/zinc/47/77/78/558477778.db2.gz HFAINIWGDKWDMX-UHFFFAOYSA-N -1 0 421.368 3.729 50 0 HHAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000022638106 558503675 /nfs/dbraw/zinc/50/36/75/558503675.db2.gz LTPCTFROCABCIG-VMPITWQZSA-N -1 0 420.259 3.881 50 0 HHAARM COc1cc(NC(=O)CSc2ccc(NC(C)=O)cc2)c(Cl)cc1C(=O)[O-] ZINC000013275621 558528435 /nfs/dbraw/zinc/52/84/35/558528435.db2.gz WHAHKDSPBDABGV-UHFFFAOYSA-N -1 0 408.863 3.736 50 0 HHAARM O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000013638187 558555015 /nfs/dbraw/zinc/55/50/15/558555015.db2.gz XXWIBQHEXYZHAP-CYBMUJFWSA-N -1 0 422.388 3.774 50 0 HHAARM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000013682745 558567685 /nfs/dbraw/zinc/56/76/85/558567685.db2.gz QJNOYMUNHYNNDQ-UHFFFAOYSA-N -1 0 416.480 3.588 50 0 HHAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc1 ZINC000024080178 558587879 /nfs/dbraw/zinc/58/78/79/558587879.db2.gz YIVUNRWOLFHONE-OAQYLSRUSA-N -1 0 402.406 3.927 50 0 HHAARM CCCCc1c([O-])nc(SCC(=O)NC(C)(C)C)n(-c2ccc(C)cc2)c1=O ZINC000013773616 558592117 /nfs/dbraw/zinc/59/21/17/558592117.db2.gz WTSZMTFCTUZNRB-UHFFFAOYSA-N -1 0 403.548 3.596 50 0 HHAARM COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)cc1 ZINC000024747986 558609627 /nfs/dbraw/zinc/60/96/27/558609627.db2.gz UDYWXZLKSYWMGD-UHFFFAOYSA-N -1 0 402.863 3.637 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ncc(C)s2)cc1 ZINC000024924905 558620653 /nfs/dbraw/zinc/62/06/53/558620653.db2.gz OMVPLSREGYGTBE-UHFFFAOYSA-N -1 0 403.485 3.513 50 0 HHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c(Br)c1 ZINC000028196705 558692251 /nfs/dbraw/zinc/69/22/51/558692251.db2.gz LLLMWWHKOXCIOP-UHFFFAOYSA-N -1 0 416.268 3.874 50 0 HHAARM CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)[O-])c2ccc(Br)s2)CC1 ZINC000016123839 558772877 /nfs/dbraw/zinc/77/28/77/558772877.db2.gz HFEBOIDJFKSHSJ-ZDUSSCGKSA-N -1 0 419.341 3.579 50 0 HHAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000016955809 558809980 /nfs/dbraw/zinc/80/99/80/558809980.db2.gz MOCUGJSRQUTEEZ-AWEZNQCLSA-N -1 0 418.906 3.675 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)cc3)cc2)no1 ZINC000017082457 558814567 /nfs/dbraw/zinc/81/45/67/558814567.db2.gz AMANYSIZEPLTSE-UHFFFAOYSA-N -1 0 402.501 3.901 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017088515 558817318 /nfs/dbraw/zinc/81/73/18/558817318.db2.gz HGKGBDROGUSSSG-HZPDHXFCSA-N -1 0 410.495 3.913 50 0 HHAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017091459 558819948 /nfs/dbraw/zinc/81/99/48/558819948.db2.gz TUPDNGQXVURGFM-ZDUSSCGKSA-N -1 0 418.515 3.979 50 0 HHAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033078561 558868083 /nfs/dbraw/zinc/86/80/83/558868083.db2.gz PKYKFQKXADSHPI-UHFFFAOYSA-N -1 0 401.466 3.964 50 0 HHAARM O=S(=O)([N-]c1ccccc1-c1cccs1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000058135767 558900967 /nfs/dbraw/zinc/90/09/67/558900967.db2.gz GMECQWINDRXXIA-GOSISDBHSA-N -1 0 405.522 3.685 50 0 HHAARM COc1cccc(OC)c1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071764454 558910310 /nfs/dbraw/zinc/91/03/10/558910310.db2.gz HBDHMRSNRGOQNO-UHFFFAOYSA-N -1 0 419.499 3.634 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1OC ZINC000033263873 558959493 /nfs/dbraw/zinc/95/94/93/558959493.db2.gz DRISBHCQPAGGFK-UHFFFAOYSA-N -1 0 418.349 3.771 50 0 HHAARM Cc1c(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cnn1-c1ccc(Cl)cc1 ZINC000097212623 559012410 /nfs/dbraw/zinc/01/24/10/559012410.db2.gz LPULALCSMCNTTB-UHFFFAOYSA-N -1 0 416.934 3.623 50 0 HHAARM O=C([O-])C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(OC2CCCC2)cc1 ZINC000004745741 559046514 /nfs/dbraw/zinc/04/65/14/559046514.db2.gz FPPLIUTYUUHIII-FQEVSTJZSA-N -1 0 403.500 3.643 50 0 HHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000011615693 559114797 /nfs/dbraw/zinc/11/47/97/559114797.db2.gz CKUXKZTWLUMVFB-UHFFFAOYSA-N -1 0 411.892 3.718 50 0 HHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000100671669 559137583 /nfs/dbraw/zinc/13/75/83/559137583.db2.gz AAXIVXSKBNKFKE-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM CCc1ccc(-n2c3nc(SCC4OCCO4)[n-]c(=O)c3sc2=S)cc1 ZINC000005091911 559243860 /nfs/dbraw/zinc/24/38/60/559243860.db2.gz OTCUSWVYWIFVPN-UHFFFAOYSA-N -1 0 407.542 3.944 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(F)cc1F ZINC000005150711 559253644 /nfs/dbraw/zinc/25/36/44/559253644.db2.gz JFCIMCGCFAQGPN-UHFFFAOYSA-N -1 0 416.453 3.823 50 0 HHAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238882122 559271605 /nfs/dbraw/zinc/27/16/05/559271605.db2.gz CKVHTTDFJBGBCN-BZUAXINKSA-N -1 0 415.486 3.520 50 0 biogenic HHAARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000002156353 559275085 /nfs/dbraw/zinc/27/50/85/559275085.db2.gz FORMDDZUPBADDA-CPNJWEJPSA-N -1 0 403.438 3.552 50 0 HHAARM COc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c(Cl)cc1Cl ZINC000005415685 560584651 /nfs/dbraw/zinc/58/46/51/560584651.db2.gz YSJMUCOHVCTXKA-UHFFFAOYSA-N -1 0 404.271 3.590 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000003316589 560592189 /nfs/dbraw/zinc/59/21/89/560592189.db2.gz ODNRYOYOQJMEGG-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM Cc1cc2oc(=O)cc(Cn3nc(C(=O)[O-])c4ccccc4c3=O)c2cc1C(C)C ZINC000003510310 560595905 /nfs/dbraw/zinc/59/59/05/560595905.db2.gz GNPOPSWWKXUIMD-UHFFFAOYSA-N -1 0 404.422 3.681 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H]2CCCO2)cc1C ZINC000017209626 560704090 /nfs/dbraw/zinc/70/40/90/560704090.db2.gz GBENRUIRBWTFMI-MRXNPFEDSA-N -1 0 412.515 3.638 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000017889152 560729945 /nfs/dbraw/zinc/72/99/45/560729945.db2.gz VFUQTHVFXSUIAI-IYBDPMFKSA-N -1 0 416.543 3.923 50 0 HHAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101456093 560795386 /nfs/dbraw/zinc/79/53/86/560795386.db2.gz APPRWOYPIYLXIJ-HNNXBMFYSA-N -1 0 420.922 3.763 50 0 HHAARM CCCNC(=O)c1ccc(Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000101497340 560796453 /nfs/dbraw/zinc/79/64/53/560796453.db2.gz ZYUKFZDXEPNOPH-UHFFFAOYSA-N -1 0 422.510 3.737 50 0 HHAARM C[C@@H](NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O)c1ccccc1 ZINC000101722584 560798914 /nfs/dbraw/zinc/79/89/14/560798914.db2.gz YDZOYILFWQLNCP-CQSZACIVSA-N -1 0 403.413 3.721 50 0 HHAARM Cc1ccc(F)c(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)c1 ZINC000101722764 560799017 /nfs/dbraw/zinc/79/90/17/560799017.db2.gz IBXADOAAULUJLY-UHFFFAOYSA-N -1 0 403.413 3.850 50 0 HHAARM Cc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)s1 ZINC000101766379 560799749 /nfs/dbraw/zinc/79/97/49/560799749.db2.gz LOWBULKGKNSNRQ-INIZCTEOSA-N -1 0 413.524 3.517 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2ccc(F)cc2)C1 ZINC000101836175 560803509 /nfs/dbraw/zinc/80/35/09/560803509.db2.gz WKIIYHAOXCZUIF-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(F)cc3)cnn21 ZINC000101836514 560803707 /nfs/dbraw/zinc/80/37/07/560803707.db2.gz PPYIVVPESAWPQF-GOSISDBHSA-N -1 0 422.416 3.657 50 0 HHAARM CCCCc1c(C)nc2[nH]c(N(Cc3cccc(Cl)c3)C(=O)C(C)C)nn2c1=O ZINC000101878476 560804203 /nfs/dbraw/zinc/80/42/03/560804203.db2.gz VCGAPPASMIKZGP-UHFFFAOYSA-N -1 0 415.925 3.911 50 0 HHAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)Cc3ccccc3Cl)cc2[n-]c1=S ZINC000102792216 560827724 /nfs/dbraw/zinc/82/77/24/560827724.db2.gz HTMQHPZINGXBQO-GFCCVEGCSA-N -1 0 401.919 3.720 50 0 HHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000102818663 560829445 /nfs/dbraw/zinc/82/94/45/560829445.db2.gz XVQMWAKJOCKHRD-SJORKVTESA-N -1 0 413.275 3.872 50 0 HHAARM C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1c(F)cccc1C[C@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000103406127 560841707 /nfs/dbraw/zinc/84/17/07/560841707.db2.gz ONVIKMVYVZZACB-BMZLUOIXSA-N -1 0 421.472 3.502 50 0 HHAARM C[C@@H]1CCC[C@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@H]1C ZINC000103869506 560844852 /nfs/dbraw/zinc/84/48/52/560844852.db2.gz WVLBZGJIXNDCCS-PMPSAXMXSA-N -1 0 405.564 3.756 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(Br)c1 ZINC000047317923 560886305 /nfs/dbraw/zinc/88/63/05/560886305.db2.gz XGFHCHOCJQOWNU-UHFFFAOYSA-N -1 0 406.204 3.535 50 0 HHAARM Nc1nc(SCCCC(=O)[O-])nc(-c2c(Cl)cc3c4c(cccc42)COC3)n1 ZINC000149885892 560886815 /nfs/dbraw/zinc/88/68/15/560886815.db2.gz IFJXIADRKWHCEN-UHFFFAOYSA-N -1 0 416.890 3.915 50 0 HHAARM Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC(O)CC2)cc1 ZINC000022852427 568415582 /nfs/dbraw/zinc/41/55/82/568415582.db2.gz CWLLNDFUXASSGD-KRWDZBQOSA-N -1 0 410.499 3.611 50 0 HHAARM CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccccc1Br ZINC000045962074 568422829 /nfs/dbraw/zinc/42/28/29/568422829.db2.gz MDJUYFWJRKHNPI-UHFFFAOYSA-N -1 0 423.288 3.788 50 0 HHAARM CCCn1c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2sc1=O ZINC000046017525 568423755 /nfs/dbraw/zinc/42/37/55/568423755.db2.gz QLPYWMQEVIKHGT-UHFFFAOYSA-N -1 0 412.920 3.936 50 0 HHAARM CCc1sc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1C ZINC000008156704 568491814 /nfs/dbraw/zinc/49/18/14/568491814.db2.gz OMVVUDGJNVURAN-HNNXBMFYSA-N -1 0 403.500 3.850 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(C)cc3)C2)c1 ZINC000095532091 568635365 /nfs/dbraw/zinc/63/53/65/568635365.db2.gz ZWPABSBFUFDAQX-OAQYLSRUSA-N -1 0 410.470 3.945 50 0 HHAARM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccccc3n2-c2ccccc2)c1 ZINC000225551903 568650406 /nfs/dbraw/zinc/65/04/06/568650406.db2.gz GCHWTWATKICZKE-UHFFFAOYSA-N -1 0 420.494 3.528 50 0 HHAARM Cc1nc(N2CCCC2)nc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000096098618 568689841 /nfs/dbraw/zinc/68/98/41/568689841.db2.gz NIDJEUJVTOLJJR-UHFFFAOYSA-N -1 0 401.319 3.801 50 0 HHAARM CS[C@H](C)CNC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C ZINC000241588523 568731435 /nfs/dbraw/zinc/73/14/35/568731435.db2.gz PDVLCAFCFGCNEO-CYBMUJFWSA-N -1 0 411.524 3.808 50 0 HHAARM CCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096361213 568739204 /nfs/dbraw/zinc/73/92/04/568739204.db2.gz MCJGGZASCBPSGI-UHFFFAOYSA-N -1 0 404.879 3.679 50 0 HHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)o1 ZINC000096379588 568741138 /nfs/dbraw/zinc/74/11/38/568741138.db2.gz CJSBKIYPSXKYMV-UHFFFAOYSA-N -1 0 416.381 3.689 50 0 HHAARM Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021726126 568751566 /nfs/dbraw/zinc/75/15/66/568751566.db2.gz KNGHSFINZIMROC-CQSZACIVSA-N -1 0 404.451 3.963 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)no1 ZINC000000939839 568752797 /nfs/dbraw/zinc/75/27/97/568752797.db2.gz KZTDGYQJURKYPD-UHFFFAOYSA-N -1 0 415.471 3.823 50 0 HHAARM [O-]C(c1cccs1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000000943923 568753482 /nfs/dbraw/zinc/75/34/82/568753482.db2.gz AKEUCVWDCLRVMV-YWPYICTPSA-N -1 0 420.865 3.670 50 0 HHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000021882677 568757868 /nfs/dbraw/zinc/75/78/68/568757868.db2.gz OEXAULPLVWFRSK-ZDUSSCGKSA-N -1 0 423.498 3.630 50 0 HHAARM COc1ccccc1NC(=O)c1cncc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021931974 568761714 /nfs/dbraw/zinc/76/17/14/568761714.db2.gz AJZLFOTWVOVSHE-UHFFFAOYSA-N -1 0 411.483 3.760 50 0 HHAARM CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001149866 568773822 /nfs/dbraw/zinc/77/38/22/568773822.db2.gz IWEJVZOQEONPKT-UHFFFAOYSA-N -1 0 418.405 3.815 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC(F)F ZINC000029327452 568824308 /nfs/dbraw/zinc/82/43/08/568824308.db2.gz YTJXADGZIAPAFO-UHFFFAOYSA-N -1 0 413.320 3.996 50 0 HHAARM CC(NCc1ccc(C(F)(F)F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005884637 568828088 /nfs/dbraw/zinc/82/80/88/568828088.db2.gz YRJAZKPAUVZGAN-GHRIWEEISA-N -1 0 417.387 3.660 50 0 HHAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012605794 568871217 /nfs/dbraw/zinc/87/12/17/568871217.db2.gz RBHZTFPDTZONKO-UHFFFAOYSA-N -1 0 404.669 3.690 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1C ZINC000003326240 568881353 /nfs/dbraw/zinc/88/13/53/568881353.db2.gz OFSXQGMYQNKMEE-UHFFFAOYSA-N -1 0 402.516 3.821 50 0 HHAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000001252664 568909032 /nfs/dbraw/zinc/90/90/32/568909032.db2.gz QPFSDFFLHBYCIJ-YIERNNEGSA-N -1 0 408.435 3.616 50 0 HHAARM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000012749934 568937703 /nfs/dbraw/zinc/93/77/03/568937703.db2.gz CSUDMEXGLLNHHS-UHFFFAOYSA-N -1 0 412.496 3.606 50 0 HHAARM NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004180069 568949211 /nfs/dbraw/zinc/94/92/11/568949211.db2.gz DIKJZBPRGIMLAY-OLZOCXBDSA-N -1 0 404.875 3.773 50 0 HHAARM O=C([O-])C[C@H]1Sc2nnc(-c3ccc(F)cc3)n2N=C1c1ccc(Cl)cc1 ZINC000008391842 568998558 /nfs/dbraw/zinc/99/85/58/568998558.db2.gz ZSCOHZJYGLWHQD-CQSZACIVSA-N -1 0 402.838 3.939 50 0 HHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000015782032 569002834 /nfs/dbraw/zinc/00/28/34/569002834.db2.gz WXXMUPOTWWILAU-MRXNPFEDSA-N -1 0 406.385 3.588 50 0 HHAARM CCOc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000015781996 569002857 /nfs/dbraw/zinc/00/28/57/569002857.db2.gz IADIUMOEDGXBCP-KRWDZBQOSA-N -1 0 414.458 3.709 50 0 HHAARM COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146455 569014540 /nfs/dbraw/zinc/01/45/40/569014540.db2.gz KYXHEPILTSXGPF-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM COc1cc(NC(=O)C(C)C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862145 569015775 /nfs/dbraw/zinc/01/57/75/569015775.db2.gz BLIPRNJNPAWVSM-UHFFFAOYSA-N -1 0 405.501 3.700 50 0 HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)cc2oc1=O ZINC000009171707 569032432 /nfs/dbraw/zinc/03/24/32/569032432.db2.gz SKNUVNOMYZLYKI-OAQYLSRUSA-N -1 0 417.502 3.828 50 0 HHAARM O=C(c1csc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCCC1 ZINC000035404981 569035780 /nfs/dbraw/zinc/03/57/80/569035780.db2.gz DBEXDJSEAGHBNQ-UHFFFAOYSA-N -1 0 404.435 3.804 50 0 HHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1 ZINC000006316068 569040327 /nfs/dbraw/zinc/04/03/27/569040327.db2.gz VWRMFMWBFMQVAI-UHFFFAOYSA-N -1 0 413.293 3.607 50 0 HHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)c(C)s2)no1 ZINC000035539211 569043613 /nfs/dbraw/zinc/04/36/13/569043613.db2.gz AHFLRLCNFXKIMU-UHFFFAOYSA-N -1 0 402.457 3.871 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239164782 569054012 /nfs/dbraw/zinc/05/40/12/569054012.db2.gz MXASBNLPNWRENT-FRRDWIJNSA-N -1 0 404.532 3.604 50 0 HHAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239309205 569054137 /nfs/dbraw/zinc/05/41/37/569054137.db2.gz HHIPYHRVBWDGOQ-KWCYVHTRSA-N -1 0 404.532 3.595 50 0 HHAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000035829458 569061568 /nfs/dbraw/zinc/06/15/68/569061568.db2.gz YYTBUKSMDMMFNN-ODLFYWEKSA-N -1 0 422.872 3.941 50 0 HHAARM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nc(N2CCCC2)n1 ZINC000064801858 569097809 /nfs/dbraw/zinc/09/78/09/569097809.db2.gz LWGSMHHWNLHURR-UHFFFAOYSA-N -1 0 415.544 3.991 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820421 569102591 /nfs/dbraw/zinc/10/25/91/569102591.db2.gz DBHOSSJROKPMKX-UHFFFAOYSA-N -1 0 424.476 3.805 50 0 HHAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000064843263 569107078 /nfs/dbraw/zinc/10/70/78/569107078.db2.gz NQBSSVWDMAEXJH-UHFFFAOYSA-N -1 0 423.922 3.779 50 0 HHAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036360559 569151890 /nfs/dbraw/zinc/15/18/90/569151890.db2.gz YGSHELRFQMNCII-QFIPXVFZSA-N -1 0 406.482 3.957 50 0 HHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000036365938 569152399 /nfs/dbraw/zinc/15/23/99/569152399.db2.gz JBBWXJHGGTZKIA-UHFFFAOYSA-N -1 0 418.906 3.902 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000006887668 569170844 /nfs/dbraw/zinc/17/08/44/569170844.db2.gz HEIJNWVZCRBFGP-UHFFFAOYSA-N -1 0 416.455 3.636 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000065186550 569192211 /nfs/dbraw/zinc/19/22/11/569192211.db2.gz UYYCRRBNBYWEKC-UHFFFAOYSA-N -1 0 400.504 3.987 50 0 HHAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cnn(-c3ccc(C)cc3)c2[nH]c1=O ZINC000065249994 569206002 /nfs/dbraw/zinc/20/60/02/569206002.db2.gz RCOYQCLUZOAZMY-UHFFFAOYSA-N -1 0 424.844 3.642 50 0 HHAARM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000170625189 569250017 /nfs/dbraw/zinc/25/00/17/569250017.db2.gz INJXPGABUHNNPB-UHFFFAOYSA-N -1 0 401.470 3.967 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCc3cccs3)cc2)s1 ZINC000013850394 569258211 /nfs/dbraw/zinc/25/82/11/569258211.db2.gz UUNGQOLNSILKJI-UHFFFAOYSA-N -1 0 406.554 3.778 50 0 HHAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCC1CCCCC1 ZINC000016848395 569265374 /nfs/dbraw/zinc/26/53/74/569265374.db2.gz GXFQNIUWGQVBJL-UHFFFAOYSA-N -1 0 407.561 3.573 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017082920 569273244 /nfs/dbraw/zinc/27/32/44/569273244.db2.gz RTOIUWWMFAMKHX-HZPDHXFCSA-N -1 0 404.532 3.897 50 0 HHAARM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O ZINC000002099036 569281145 /nfs/dbraw/zinc/28/11/45/569281145.db2.gz MRLTXEYLPCUWFS-FFCYNSPCSA-N -1 0 415.423 3.633 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002104940 569282138 /nfs/dbraw/zinc/28/21/38/569282138.db2.gz MDBZMHWWCZQWBA-YOEHRIQHSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002118286 569284829 /nfs/dbraw/zinc/28/48/29/569284829.db2.gz XLQGUXKLRVKXBN-UHFFFAOYSA-N -1 0 419.433 3.956 50 0 biogenic HHAARM CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737569 569356753 /nfs/dbraw/zinc/35/67/53/569356753.db2.gz LWRDLHJGJHYCHO-QRWLVFNGSA-N -1 0 423.465 3.843 50 0 HHAARM CC(C)CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002412703 569397072 /nfs/dbraw/zinc/39/70/72/569397072.db2.gz AMVXIFVRWDHNBZ-UHFFFAOYSA-N -1 0 414.516 3.503 50 0 HHAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002426200 569398612 /nfs/dbraw/zinc/39/86/12/569398612.db2.gz UXBYXUNMWXRYES-RDTXWAMCSA-N -1 0 415.486 3.507 50 0 HHAARM CN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000079015081 569423776 /nfs/dbraw/zinc/42/37/76/569423776.db2.gz PUGHYWPOXRZHDF-UHFFFAOYSA-N -1 0 402.501 3.608 50 0 HHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC[C@@H](C(=O)[O-])C4)c(C)c3cc2c1C ZINC000008764412 571114629 /nfs/dbraw/zinc/11/46/29/571114629.db2.gz UGPOBHVLQDNBMF-OAHLLOKOSA-N -1 0 411.454 3.720 50 0 biogenic HHAARM CCOc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccc3nccnc3c2)C1 ZINC000039563634 571133493 /nfs/dbraw/zinc/13/34/93/571133493.db2.gz DWALPJWQCZVUMV-HXUWFJFHSA-N -1 0 418.453 3.571 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000009002296 571209765 /nfs/dbraw/zinc/20/97/65/571209765.db2.gz UUGQJKCUEVCNJR-UHFFFAOYSA-N -1 0 419.480 3.650 50 0 HHAARM CCN1c2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009170473 571233531 /nfs/dbraw/zinc/23/35/31/571233531.db2.gz RFBWKIHAHBVKJY-UHFFFAOYSA-N -1 0 408.907 3.912 50 0 HHAARM CCOc1ccc(Nc2nc(NCC(=O)[O-])nc(Nc3ccc(OCC)cc3)n2)cc1 ZINC000009291073 571245673 /nfs/dbraw/zinc/24/56/73/571245673.db2.gz XPFZODJMFCBKKQ-UHFFFAOYSA-N -1 0 424.461 3.653 50 0 HHAARM COc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1Cl ZINC000009529605 571266615 /nfs/dbraw/zinc/26/66/15/571266615.db2.gz IIXJOQDXQHMWGZ-GFCCVEGCSA-N -1 0 421.906 3.726 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)n1C ZINC000009684961 571279686 /nfs/dbraw/zinc/27/96/86/571279686.db2.gz XVPLJLLIVMEBJT-UHFFFAOYSA-N -1 0 403.548 3.686 50 0 HHAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000009974271 571293442 /nfs/dbraw/zinc/29/34/42/571293442.db2.gz QIKQXQHHOGOIML-UHFFFAOYSA-N -1 0 424.453 3.582 50 0 HHAARM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4cc(C)ccn4)c3)n2)cc1 ZINC000064610899 571308009 /nfs/dbraw/zinc/30/80/09/571308009.db2.gz GVQPJGUBAFUIJK-UHFFFAOYSA-N -1 0 406.467 4.216 50 0 HHAARM COc1cc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)ccc1OCC(=O)[O-] ZINC000007488385 961214013 /nfs/dbraw/zinc/21/40/13/961214013.db2.gz HWSNVXHCGHMSKF-VQHVLOKHSA-N -1 0 412.467 3.506 50 0 HHAARM O=C([O-])CCn1c(/C=C\c2csc(Br)c2)nc2ccccc2c1=O ZINC000097035224 969081741 /nfs/dbraw/zinc/08/17/41/969081741.db2.gz ACDZUBZJEWSVOS-WAYWQWQTSA-N -1 0 405.273 3.866 50 0 HHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000006887842 132319653 /nfs/dbraw/zinc/31/96/53/132319653.db2.gz RHDPYTSKJSOJFT-UHFFFAOYSA-N -1 0 419.547 3.845 50 0 HHAARM O=C([O-])COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000012549174 132362977 /nfs/dbraw/zinc/36/29/77/132362977.db2.gz IBIQGFDTXGUXKK-JOCHJYFZSA-N -1 0 418.405 3.650 50 0 HHAARM CCC(=O)Nc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260736 132782070 /nfs/dbraw/zinc/78/20/70/132782070.db2.gz TYIRHZYLQZMMGJ-UHFFFAOYSA-N -1 0 422.460 3.747 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000020554913 523851411 /nfs/dbraw/zinc/85/14/11/523851411.db2.gz GKFLTMAGTNQGPV-UHFFFAOYSA-N -1 0 424.526 3.862 50 0 HHAARM Cc1cccc(CSc2ncc(Cl)c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n2)c1 ZINC000041154597 524465176 /nfs/dbraw/zinc/46/51/76/524465176.db2.gz DSBWXRSHJYTBJS-HNNXBMFYSA-N -1 0 407.923 3.960 50 0 HHAARM O=C([O-])[C@H]1CCCN(C(=O)CCn2ccc3ccc(OCc4ccccc4)cc32)C1 ZINC000040309837 526321279 /nfs/dbraw/zinc/32/12/79/526321279.db2.gz RFEDJCZRLBYVJE-FQEVSTJZSA-N -1 0 406.482 3.934 50 0 biogenic HHAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(SC(F)F)cc2)C1=O ZINC000019878611 526398734 /nfs/dbraw/zinc/39/87/34/526398734.db2.gz NVUMGYSNZUCHFJ-LBPRGKRZSA-N -1 0 410.423 3.519 50 0 HHAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)NCc1ccco1 ZINC000032778448 527074474 /nfs/dbraw/zinc/07/44/74/527074474.db2.gz JHPWIBPRLHTZOH-UHFFFAOYSA-N -1 0 417.299 3.614 50 0 HHAARM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000000813903 557088721 /nfs/dbraw/zinc/08/87/21/557088721.db2.gz KOIQBYWJXAINHF-UHFFFAOYSA-N -1 0 408.526 3.658 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccsc3)cc2)n1 ZINC000001033578 557148635 /nfs/dbraw/zinc/14/86/35/557148635.db2.gz YOMKVXFSYSRNTL-UHFFFAOYSA-N -1 0 403.489 3.600 50 0 HHAARM CCOC(=O)N1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c32)C1 ZINC000001036200 557150837 /nfs/dbraw/zinc/15/08/37/557150837.db2.gz CFQYTZZUPWXXSJ-UHFFFAOYSA-N -1 0 401.513 3.683 50 0 HHAARM Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000001052077 557160417 /nfs/dbraw/zinc/16/04/17/557160417.db2.gz XHLAQHNAJRQGDU-UHFFFAOYSA-N -1 0 422.466 3.893 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)cc1C ZINC000001064754 557165611 /nfs/dbraw/zinc/16/56/11/557165611.db2.gz LRONEILQAXZFKG-QGZVFWFLSA-N -1 0 422.934 3.666 50 0 HHAARM COc1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1OC ZINC000003105001 557446967 /nfs/dbraw/zinc/44/69/67/557446967.db2.gz UKCGCRWKUSWMKI-UHFFFAOYSA-N -1 0 412.417 3.713 50 0 HHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764966 557461709 /nfs/dbraw/zinc/46/17/09/557461709.db2.gz FTXZIBRBHJKLLK-INIZCTEOSA-N -1 0 406.486 3.671 50 0 HHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000034765103 557461884 /nfs/dbraw/zinc/46/18/84/557461884.db2.gz XTJYXBUDHPAINH-HNNXBMFYSA-N -1 0 424.476 3.810 50 0 HHAARM Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1 ZINC000003635179 557495780 /nfs/dbraw/zinc/49/57/80/557495780.db2.gz LDDJBMPSZLFYJZ-UBFBPUDLSA-N -1 0 409.441 3.630 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004628393 557574055 /nfs/dbraw/zinc/57/40/55/557574055.db2.gz PBOVIXZMMDUONI-AGIUHOORSA-N -1 0 406.548 3.828 50 0 HHAARM CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1 ZINC000004750037 557592659 /nfs/dbraw/zinc/59/26/59/557592659.db2.gz WNCWYMZUCLFVJV-UHFFFAOYSA-N -1 0 415.471 3.743 50 0 HHAARM O=C1N[C@H](c2c(F)cccc2Cl)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000012377912 558392543 /nfs/dbraw/zinc/39/25/43/558392543.db2.gz BFDBJKZLOJVEMP-LALPHHSUSA-N -1 0 422.787 3.645 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)sc1Cl ZINC000021963310 558456693 /nfs/dbraw/zinc/45/66/93/558456693.db2.gz OTYVTHGHFRTKPH-UHFFFAOYSA-N -1 0 416.315 3.844 50 0 HHAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1 ZINC000022475039 558491826 /nfs/dbraw/zinc/49/18/26/558491826.db2.gz YHZZPWDEJRSNNN-UHFFFAOYSA-N -1 0 404.435 3.501 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013454218 558533056 /nfs/dbraw/zinc/53/30/56/558533056.db2.gz LETMSSKQFGRAKI-BKKLHLQPSA-N -1 0 423.468 3.575 50 0 HHAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2s1 ZINC000013690358 558572314 /nfs/dbraw/zinc/57/23/14/558572314.db2.gz WZDJNNABSOEPNJ-UHFFFAOYSA-N -1 0 415.418 3.939 50 0 HHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c1 ZINC000024375493 558596331 /nfs/dbraw/zinc/59/63/31/558596331.db2.gz PCQCYLSXGZMAFH-UHFFFAOYSA-N -1 0 411.512 3.624 50 0 HHAARM CCOc1ccc(COc2ccc([C@@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1OCC ZINC000013961494 558609135 /nfs/dbraw/zinc/60/91/35/558609135.db2.gz PROCNAZBPOOCPM-YLJYHZDGSA-N -1 0 403.500 3.851 50 0 HHAARM COc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000025512660 558642347 /nfs/dbraw/zinc/64/23/47/558642347.db2.gz GFHOVHHRAYOHTE-OAHLLOKOSA-N -1 0 402.516 3.675 50 0 HHAARM Cc1c(-c2nc(C3CCC3)no2)c(S(=O)(=O)[N-]c2cccc(F)c2)c(C)n1C ZINC000065194591 558654441 /nfs/dbraw/zinc/65/44/41/558654441.db2.gz GKZPWKCIHNADJS-UHFFFAOYSA-N -1 0 404.467 3.899 50 0 HHAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000016579493 558796331 /nfs/dbraw/zinc/79/63/31/558796331.db2.gz LCVQKFHGHKVWEW-UHFFFAOYSA-N -1 0 415.902 3.607 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)no1 ZINC000017087866 558816716 /nfs/dbraw/zinc/81/67/16/558816716.db2.gz VPVXJLBAGJLLHF-UHFFFAOYSA-N -1 0 408.386 3.706 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2cnn(Cc3c(F)cccc3Cl)c2)cc1 ZINC000017088364 558817144 /nfs/dbraw/zinc/81/71/44/558817144.db2.gz WWSKKJPOZKQIRE-UHFFFAOYSA-N -1 0 409.870 3.923 50 0 HHAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017090010 558818552 /nfs/dbraw/zinc/81/85/52/558818552.db2.gz IMIPKKPWGSZJMY-AWEZNQCLSA-N -1 0 414.527 3.996 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000017090763 558819418 /nfs/dbraw/zinc/81/94/18/558819418.db2.gz SAGPQNGYCCGCHP-HUUCEWRRSA-N -1 0 416.543 3.859 50 0 HHAARM O=S(=O)([N-]c1nn(Cc2ccccc2Cl)cc1Cl)c1cccc2nonc21 ZINC000017093771 558822214 /nfs/dbraw/zinc/82/22/14/558822214.db2.gz BGPGJKQHFQSPTA-UHFFFAOYSA-N -1 0 424.269 3.575 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004661637 558874676 /nfs/dbraw/zinc/87/46/76/558874676.db2.gz DOMDEUHFZBMUKY-FCHUYYIVSA-N -1 0 423.488 3.758 50 0 HHAARM O=C(Nc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1Cl)c1ccccn1 ZINC000058245587 558914464 /nfs/dbraw/zinc/91/44/64/558914464.db2.gz BMCSGBXUTICUQS-UHFFFAOYSA-N -1 0 405.838 3.927 50 0 HHAARM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000058281969 558916444 /nfs/dbraw/zinc/91/64/44/558916444.db2.gz AAEDKHRZYHTNHT-UHFFFAOYSA-N -1 0 401.843 3.832 50 0 HHAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253488 558921704 /nfs/dbraw/zinc/92/17/04/558921704.db2.gz GVFWLWLEDVPCPD-UHFFFAOYSA-N -1 0 406.504 3.821 50 0 HHAARM COc1cc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)ccc1O ZINC000096845480 558994222 /nfs/dbraw/zinc/99/42/22/558994222.db2.gz CZAUUFMNIMDTJQ-QPEQYQDCSA-N -1 0 414.417 3.969 50 0 HHAARM O=C(CCCCn1c(=S)[n-]c2c3ccccc3sc2c1=O)NC[C@@H]1CCCO1 ZINC000004793227 559065824 /nfs/dbraw/zinc/06/58/24/559065824.db2.gz WBGDVGIAVALECI-ZDUSSCGKSA-N -1 0 417.556 3.739 50 0 HHAARM CC[C@]1(C)Cc2c(sc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c23)CO1 ZINC000004795751 559066410 /nfs/dbraw/zinc/06/64/10/559066410.db2.gz ZOQJIOJMGKXOJD-HXUWFJFHSA-N -1 0 416.524 3.865 50 0 HHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100068859 559129349 /nfs/dbraw/zinc/12/93/49/559129349.db2.gz UTGGAGXJTLTAFF-AWEZNQCLSA-N -1 0 422.441 3.682 50 0 HHAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)cc1 ZINC000100543118 559136289 /nfs/dbraw/zinc/13/62/89/559136289.db2.gz MZHDNRUKXNYTOW-UHFFFAOYSA-N -1 0 408.454 3.792 50 0 HHAARM CC(C)C(=O)N1CCN(Cn2nc(-c3cc(Cl)ccc3Cl)[nH]c2=S)CC1 ZINC000014245577 559161882 /nfs/dbraw/zinc/16/18/82/559161882.db2.gz ZEQAKCRXWQCAIP-UHFFFAOYSA-N -1 0 414.362 3.672 50 0 HHAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])C4=CCC=CC4)c(C)c3cc12 ZINC000011865625 559263838 /nfs/dbraw/zinc/26/38/38/559263838.db2.gz IAIRCRYBEWEPIG-NRFANRHFSA-N -1 0 407.422 3.544 50 0 HHAARM CCOc1ccc2nc(SCC(=O)Nc3ccc(O)c(C(=O)[O-])c3)sc2c1 ZINC000002990837 560588243 /nfs/dbraw/zinc/58/82/43/560588243.db2.gz KZJPVAQYDUDFIA-UHFFFAOYSA-N -1 0 404.469 3.830 50 0 HHAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000005626413 560634502 /nfs/dbraw/zinc/63/45/02/560634502.db2.gz RUWFPIUNRNMWRZ-UHFFFAOYSA-N -1 0 406.389 3.582 50 0 HHAARM OC(c1ccccc1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000169680864 560765437 /nfs/dbraw/zinc/76/54/37/560765437.db2.gz KVPDPAYJXWEZAU-VBQJREDUSA-N -1 0 414.836 3.609 50 0 HHAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc(=O)c(-c4ccc(F)cc4)nn32)cc1 ZINC000101167906 560787386 /nfs/dbraw/zinc/78/73/86/560787386.db2.gz GPNWHBCXINKTBM-HXUWFJFHSA-N -1 0 414.396 3.782 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@H](/C=C/c2ccccc2)C1 ZINC000101298775 560791165 /nfs/dbraw/zinc/79/11/65/560791165.db2.gz MIRLINCRFDURKD-SCBHQAGPSA-N -1 0 404.401 3.923 50 0 HHAARM CCS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101618454 560797690 /nfs/dbraw/zinc/79/76/90/560797690.db2.gz HETSHAQFSUKNMA-QGZVFWFLSA-N -1 0 415.906 3.749 50 0 HHAARM O=C(NCc1cccc(Cl)c1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101722959 560799020 /nfs/dbraw/zinc/79/90/20/560799020.db2.gz SDJOPYKZDFJYKV-UHFFFAOYSA-N -1 0 423.831 3.814 50 0 HHAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723133 560799142 /nfs/dbraw/zinc/79/91/42/560799142.db2.gz OVULAQPHCUPGRO-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM O=C(Nc1cc(F)ccc1F)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723088 560799147 /nfs/dbraw/zinc/79/91/47/560799147.db2.gz DGAMLHSPQJYMOY-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM CCCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(OC)cc3OC)no2)c1=O ZINC000101725363 560799812 /nfs/dbraw/zinc/79/98/12/560799812.db2.gz RELHPJZUCTXZQZ-UHFFFAOYSA-N -1 0 407.426 3.851 50 0 HHAARM CCOc1ccccc1NC(=O)CCc1c(C)[n-]n(-c2nc(C)c(C)s2)c1=O ZINC000101833336 560803145 /nfs/dbraw/zinc/80/31/45/560803145.db2.gz YHHQNYKWUHKKGA-UHFFFAOYSA-N -1 0 400.504 3.930 50 0 HHAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)NCCc1ccc(Cl)cc1 ZINC000102740371 560824978 /nfs/dbraw/zinc/82/49/78/560824978.db2.gz NFPUEBHUDPQKLH-UHFFFAOYSA-N -1 0 407.948 3.913 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Cl)cc1 ZINC000102820808 560829590 /nfs/dbraw/zinc/82/95/90/560829590.db2.gz XRIMMLMPWZVSEJ-GOSISDBHSA-N -1 0 424.844 3.781 50 0 HHAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn21 ZINC000102901456 560834976 /nfs/dbraw/zinc/83/49/76/560834976.db2.gz FRKUNDXITOHKGI-KRWDZBQOSA-N -1 0 424.844 3.781 50 0 HHAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn21 ZINC000102901458 560835012 /nfs/dbraw/zinc/83/50/12/560835012.db2.gz FRKUNDXITOHKGI-QGZVFWFLSA-N -1 0 424.844 3.781 50 0 HHAARM CN1C(=O)N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139927 560890140 /nfs/dbraw/zinc/89/01/40/560890140.db2.gz OUQNHAQKSAJYBY-WOSRLPQWSA-N -1 0 418.824 3.848 50 0 HHAARM COc1cccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c1 ZINC000049409619 568449696 /nfs/dbraw/zinc/44/96/96/568449696.db2.gz UEBNOWJZSLHSFM-UHFFFAOYSA-N -1 0 420.490 3.756 50 0 HHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(Cl)ccc1Cl ZINC000000790595 568478795 /nfs/dbraw/zinc/47/87/95/568478795.db2.gz DSSSFKJOBYPZBF-INIZCTEOSA-N -1 0 407.253 3.666 50 0 biogenic HHAARM CN(Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)/C=C/C(=O)[O-] ZINC000008429668 568501407 /nfs/dbraw/zinc/50/14/07/568501407.db2.gz SHXBHCRHAOYIFE-VAWYXSNFSA-N -1 0 401.422 3.885 50 0 HHAARM O=C([O-])C[C@@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cccs1 ZINC000095350698 568601000 /nfs/dbraw/zinc/60/10/00/568601000.db2.gz FVVRBWCJGVYLGA-OAHLLOKOSA-N -1 0 414.508 3.685 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)n1C ZINC000021030329 568659328 /nfs/dbraw/zinc/65/93/28/568659328.db2.gz PXJRJXYIKZRXFC-UHFFFAOYSA-N -1 0 417.575 3.932 50 0 HHAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3Cl)C2)c1 ZINC000225847990 568680158 /nfs/dbraw/zinc/68/01/58/568680158.db2.gz IUFTYRGGILMKRX-SFHVURJKSA-N -1 0 416.861 3.900 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000096322194 568729757 /nfs/dbraw/zinc/72/97/57/568729757.db2.gz MPBHVXCPISDWJO-UHFFFAOYSA-N -1 0 417.462 3.606 50 0 HHAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000005790719 568733573 /nfs/dbraw/zinc/73/35/73/568733573.db2.gz BBUBRVLBJNRFEE-UHFFFAOYSA-N -1 0 402.472 3.771 50 0 HHAARM Cc1cc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1F ZINC000096361236 568739092 /nfs/dbraw/zinc/73/90/92/568739092.db2.gz JBTHBBXNOOXRQE-UHFFFAOYSA-N -1 0 408.842 3.564 50 0 HHAARM Cc1cc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000096361210 568739112 /nfs/dbraw/zinc/73/91/12/568739112.db2.gz ZXMHKZIRZALZEJ-UHFFFAOYSA-N -1 0 408.842 3.564 50 0 HHAARM CCc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000096361212 568739181 /nfs/dbraw/zinc/73/91/81/568739181.db2.gz FHYBPKYUGWGBJG-UHFFFAOYSA-N -1 0 404.879 3.679 50 0 HHAARM Cc1ccc(Nc2nnc(SCC(=O)NCCCCCC(=O)[O-])s2)c(C)c1 ZINC000002649235 568795877 /nfs/dbraw/zinc/79/58/77/568795877.db2.gz QESUTZOZEDIIME-UHFFFAOYSA-N -1 0 408.549 3.752 50 0 HHAARM Cc1ccn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1 ZINC000002809635 568811943 /nfs/dbraw/zinc/81/19/43/568811943.db2.gz GLJJEMRCALBHPZ-UHFFFAOYSA-N -1 0 403.874 3.872 50 0 HHAARM O=C([O-])c1ccc(-n2c(/C=C3/C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000029747467 568828716 /nfs/dbraw/zinc/82/87/16/568828716.db2.gz HGYVSQURJMISMN-QGOAFFKASA-N -1 0 409.401 3.577 50 0 biogenic HHAARM COc1ccc(OC)c(NC(=O)N[C@@H](Cc2ccccc2)c2n[n-]c(=S)o2)c1 ZINC000005907142 568829102 /nfs/dbraw/zinc/82/91/02/568829102.db2.gz QNFWHYRIPFPIOY-HNNXBMFYSA-N -1 0 400.460 3.855 50 0 HHAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1CCc1ccccc1Cl ZINC000002976018 568832466 /nfs/dbraw/zinc/83/24/66/568832466.db2.gz ZJANWJVRDGLOKH-UHFFFAOYSA-N -1 0 401.919 3.792 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000012557300 568856522 /nfs/dbraw/zinc/85/65/22/568856522.db2.gz OFURZBLBNIMLJL-UHFFFAOYSA-N -1 0 408.220 3.545 50 0 HHAARM CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000003190483 568860615 /nfs/dbraw/zinc/86/06/15/568860615.db2.gz KKZUJSRWGQBCMI-LMGFAJPXSA-N -1 0 409.441 3.956 50 0 HHAARM CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000003190478 568860633 /nfs/dbraw/zinc/86/06/33/568860633.db2.gz KKZUJSRWGQBCMI-UBFBPUDLSA-N -1 0 409.441 3.956 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2OC)cc1 ZINC000012605501 568870887 /nfs/dbraw/zinc/87/08/87/568870887.db2.gz JMLMDZXRGVRSMH-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000035053066 568872595 /nfs/dbraw/zinc/87/25/95/568872595.db2.gz VLJQADBFDVUVNF-TYNCELHUSA-N -1 0 405.428 3.771 50 0 HHAARM Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C ZINC000003287865 568872688 /nfs/dbraw/zinc/87/26/88/568872688.db2.gz UWDOGFUOOUYLLY-UHFFFAOYSA-N -1 0 413.528 3.703 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(Cl)c1 ZINC000003349747 568885261 /nfs/dbraw/zinc/88/52/61/568885261.db2.gz YPEFEVJKQNAJKA-UHFFFAOYSA-N -1 0 404.669 3.910 50 0 HHAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003350681 568885646 /nfs/dbraw/zinc/88/56/46/568885646.db2.gz PFRUFBFGBMAVBB-OAHLLOKOSA-N -1 0 419.808 3.559 50 0 HHAARM Cc1cnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)s1 ZINC000012730808 568922380 /nfs/dbraw/zinc/92/23/80/568922380.db2.gz KAIXCILPRBOCLU-UHFFFAOYSA-N -1 0 405.476 3.952 50 0 HHAARM COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c([O-])c2ccccc2oc1=O ZINC000218128203 568926283 /nfs/dbraw/zinc/92/62/83/568926283.db2.gz LZCHAYIJZGNQLP-KRWDZBQOSA-N -1 0 418.405 3.776 50 0 biogenic HHAARM CC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000001407350 568928274 /nfs/dbraw/zinc/92/82/74/568928274.db2.gz ZFGIDJQPRZRQNJ-MHWRWJLKSA-N -1 0 422.243 3.779 50 0 HHAARM CCCC[C@H](Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(=O)[O-] ZINC000004165200 568947958 /nfs/dbraw/zinc/94/79/58/568947958.db2.gz UVNDWVDHENKZPI-HNNXBMFYSA-N -1 0 402.476 3.544 50 0 HHAARM O=C(N[C@@H](Cc1ccccc1)C(=O)[N-]OCc1ccccc1)OCc1ccccc1 ZINC000008096804 568973734 /nfs/dbraw/zinc/97/37/34/568973734.db2.gz BYGZQJRLPPTDBI-QFIPXVFZSA-N -1 0 404.466 3.772 50 0 HHAARM COC(=O)c1c(SCC(=O)Nc2c(C)cccc2C)[n-]c2ccc(C)cc2c1=O ZINC000015731505 568982148 /nfs/dbraw/zinc/98/21/48/568982148.db2.gz PHRCLEVVQKMERW-UHFFFAOYSA-N -1 0 410.495 3.971 50 0 HHAARM O=C([O-])C[C@@H]1Sc2nnc(-c3ccc(F)cc3)n2N=C1c1ccc(Cl)cc1 ZINC000008391840 568998512 /nfs/dbraw/zinc/99/85/12/568998512.db2.gz ZSCOHZJYGLWHQD-AWEZNQCLSA-N -1 0 402.838 3.939 50 0 HHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000015781944 569002842 /nfs/dbraw/zinc/00/28/42/569002842.db2.gz OEKJTONDTXGHFZ-MRXNPFEDSA-N -1 0 404.850 3.963 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664795 569006675 /nfs/dbraw/zinc/00/66/75/569006675.db2.gz QSINBICZZQVJIX-UHFFFAOYSA-N -1 0 403.407 3.966 50 0 HHAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c([O-])[nH]c1=S ZINC000015834783 569013000 /nfs/dbraw/zinc/01/30/00/569013000.db2.gz GGYMJHFHHGHSBO-GFCCVEGCSA-N -1 0 423.336 3.613 50 0 HHAARM O=C(Nc1nc2ccccc2[nH]1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006167908 569016196 /nfs/dbraw/zinc/01/61/96/569016196.db2.gz DRNUVASYFZKKEE-UHFFFAOYSA-N -1 0 410.430 3.755 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3F)cnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000101836261 569024605 /nfs/dbraw/zinc/02/46/05/569024605.db2.gz MZMWXZSRFHPJJR-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737583 569041693 /nfs/dbraw/zinc/04/16/93/569041693.db2.gz STJZBTOOLUFIJY-FOIQADDNSA-N -1 0 423.465 3.987 50 0 biogenic HHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(-c4ccno4)c3)c(C)s2)no1 ZINC000035539213 569043606 /nfs/dbraw/zinc/04/36/06/569043606.db2.gz ZJNAXTSQSCYBNH-UHFFFAOYSA-N -1 0 402.457 3.871 50 0 HHAARM COc1cc(OC)cc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(Cl)c2)c1 ZINC000006414234 569046939 /nfs/dbraw/zinc/04/69/39/569046939.db2.gz ATRRYNGJLYVKOV-UHFFFAOYSA-N -1 0 404.879 3.530 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239377565 569054280 /nfs/dbraw/zinc/05/42/80/569054280.db2.gz OCFLZJXDSMDXAV-VHDGCEQUSA-N -1 0 418.559 3.985 50 0 HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000026771904 569056590 /nfs/dbraw/zinc/05/65/90/569056590.db2.gz WWQJFHHQQHPNKG-OAHLLOKOSA-N -1 0 403.475 3.501 50 0 HHAARM CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737577 569060381 /nfs/dbraw/zinc/06/03/81/569060381.db2.gz LWRDLHJGJHYCHO-MGPUTAFESA-N -1 0 423.465 3.843 50 0 biogenic HHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044254031 569061522 /nfs/dbraw/zinc/06/15/22/569061522.db2.gz YNGFGADUOJYSBY-UHFFFAOYSA-N -1 0 408.838 3.803 50 0 HHAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690161 569070708 /nfs/dbraw/zinc/07/07/08/569070708.db2.gz KALRWPZHUQLMMW-SUNYJGFJSA-N -1 0 400.548 3.820 50 0 HHAARM Cc1c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc(C(=O)N2CCCCC2)n1C ZINC000064922286 569122198 /nfs/dbraw/zinc/12/21/98/569122198.db2.gz WDQRQYQULOESDC-UHFFFAOYSA-N -1 0 413.902 3.553 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1OC ZINC000064947000 569129222 /nfs/dbraw/zinc/12/92/22/569129222.db2.gz TWPMONWNVKDMEO-UHFFFAOYSA-N -1 0 401.488 3.616 50 0 HHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000064979601 569140951 /nfs/dbraw/zinc/14/09/51/569140951.db2.gz XJAIJJVUIFEODF-UHFFFAOYSA-N -1 0 409.261 3.914 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1Cl ZINC000064979516 569140982 /nfs/dbraw/zinc/14/09/82/569140982.db2.gz UKNYEDUKHUBENF-UHFFFAOYSA-N -1 0 424.862 3.822 50 0 HHAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(Cl)cc1 ZINC000006974081 569192986 /nfs/dbraw/zinc/19/29/86/569192986.db2.gz QKNYPGZGUVKCCI-UHFFFAOYSA-N -1 0 402.859 3.699 50 0 HHAARM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000007054512 569214363 /nfs/dbraw/zinc/21/43/63/569214363.db2.gz CKPQUQKGTIHCLG-UHFFFAOYSA-N -1 0 416.952 3.561 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2cccs2)c1 ZINC000007156850 569225973 /nfs/dbraw/zinc/22/59/73/569225973.db2.gz DLJCGWQSJHWEHU-UHFFFAOYSA-N -1 0 402.497 3.739 50 0 HHAARM O=S(=O)([N-]c1cn(Cc2ccccc2)nn1)c1ccc(SC(F)(F)F)cc1 ZINC000170609120 569244919 /nfs/dbraw/zinc/24/49/19/569244919.db2.gz GMKNIUTYDDHJIM-UHFFFAOYSA-N -1 0 414.434 3.739 50 0 HHAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1O ZINC000170617692 569247760 /nfs/dbraw/zinc/24/77/60/569247760.db2.gz MJJHPBLLYOIIOS-UHFFFAOYSA-N -1 0 421.805 3.543 50 0 HHAARM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000170617365 569248048 /nfs/dbraw/zinc/24/80/48/569248048.db2.gz ADNSKWQSSIAHGY-UHFFFAOYSA-N -1 0 421.906 3.742 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCc3cccs3)cs2)cc1 ZINC000016848599 569265369 /nfs/dbraw/zinc/26/53/69/569265369.db2.gz ZNAKTUOUGRWRSC-UHFFFAOYSA-N -1 0 421.569 3.563 50 0 HHAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N(C)CC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002102348 569281482 /nfs/dbraw/zinc/28/14/82/569281482.db2.gz WWXOZGUBBOLOPD-UHFFFAOYSA-N -1 0 411.454 3.510 50 0 biogenic HHAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002104308 569282082 /nfs/dbraw/zinc/28/20/82/569282082.db2.gz RMDAQXDOHQXHSM-QGZVFWFLSA-N -1 0 411.454 3.638 50 0 biogenic HHAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002157230 569290396 /nfs/dbraw/zinc/29/03/96/569290396.db2.gz MAZNTMSQDCJWIO-PBHICJAKSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM CC(C)[C@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000007786631 569310340 /nfs/dbraw/zinc/31/03/40/569310340.db2.gz JCOOAIDZWFXAFQ-INIZCTEOSA-N -1 0 401.513 3.676 50 0 HHAARM COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000027528436 569364395 /nfs/dbraw/zinc/36/43/95/569364395.db2.gz RDVGLMJTEPSQTP-UHFFFAOYSA-N -1 0 419.412 3.604 50 0 HHAARM CCOC(=O)N[C@@]([N-]c1cc(Cl)ccc1Cl)(C(=O)OCC)C(F)(F)F ZINC000002307116 569372545 /nfs/dbraw/zinc/37/25/45/569372545.db2.gz DBRJXONNAKLFDG-ZDUSSCGKSA-N -1 0 403.184 3.973 50 0 HHAARM COc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471096 569381038 /nfs/dbraw/zinc/38/10/38/569381038.db2.gz LMMWNKQMOHNDPX-LJQANCHMSA-N -1 0 409.438 3.832 50 0 HHAARM O=C([O-])[C@@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000008925723 569390962 /nfs/dbraw/zinc/39/09/62/569390962.db2.gz BDYIMMKEYGWJGV-KRWDZBQOSA-N -1 0 419.359 3.630 50 0 HHAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002426199 569398668 /nfs/dbraw/zinc/39/86/68/569398668.db2.gz UXBYXUNMWXRYES-KDOFPFPSSA-N -1 0 415.486 3.507 50 0 HHAARM CCCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000013347578 569410819 /nfs/dbraw/zinc/41/08/19/569410819.db2.gz IFWWXYAZGMVKOL-UHFFFAOYSA-N -1 0 404.517 3.937 50 0 HHAARM O=C([O-])c1ccccc1SCc1cc(=O)n2nc(-c3cccs3)sc2n1 ZINC000013367534 569412366 /nfs/dbraw/zinc/41/23/66/569412366.db2.gz YVMKERHTHUSRIT-UHFFFAOYSA-N -1 0 401.494 3.870 50 0 HHAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000008814877 571121022 /nfs/dbraw/zinc/12/10/22/571121022.db2.gz ACJMSTQVVQYGQW-HYBUGGRVSA-N -1 0 403.482 3.570 50 0 HHAARM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc12 ZINC000039551351 571133134 /nfs/dbraw/zinc/13/31/34/571133134.db2.gz GEVBVMBWAHCQGI-UHFFFAOYSA-N -1 0 404.801 3.750 50 0 HHAARM C[C@@H](Cc1ccccc1Cl)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000040112099 571170149 /nfs/dbraw/zinc/17/01/49/571170149.db2.gz NEXWTFASXPZEPW-ZDUSSCGKSA-N -1 0 401.919 3.850 50 0 HHAARM O=C([O-])C[C@]1(C(=O)Nc2ccc(F)cc2)CC(c2ccc(Br)cc2)=NO1 ZINC000008994540 571208131 /nfs/dbraw/zinc/20/81/31/571208131.db2.gz ZSIBPROWYIVKHQ-SFHVURJKSA-N -1 0 421.222 3.565 50 0 HHAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)s2)cc1OC ZINC000040267214 571214049 /nfs/dbraw/zinc/21/40/49/571214049.db2.gz HIFFMCKACMARMV-QGZVFWFLSA-N -1 0 412.467 3.691 50 0 HHAARM CCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2OCC(C)(C)C1=O ZINC000009166279 571232719 /nfs/dbraw/zinc/23/27/19/571232719.db2.gz BCQWLUKGLJSEIG-UHFFFAOYSA-N -1 0 418.515 3.576 50 0 HHAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc(OC(F)(F)F)cc1 ZINC000009613982 571273982 /nfs/dbraw/zinc/27/39/82/571273982.db2.gz ZUTPLOJLSHRIDY-UHFFFAOYSA-N -1 0 418.784 3.620 50 0 HHAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000009645795 571276298 /nfs/dbraw/zinc/27/62/98/571276298.db2.gz PVRMEZJFRZMSLY-UHFFFAOYSA-N -1 0 417.464 3.731 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)n1C ZINC000009685041 571279744 /nfs/dbraw/zinc/27/97/44/571279744.db2.gz NGWUDXSILMLSEM-UHFFFAOYSA-N -1 0 403.548 3.686 50 0 HHAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1cccc(Cl)c1 ZINC000009761969 571284503 /nfs/dbraw/zinc/28/45/03/571284503.db2.gz HAFXNWYTNUSBIY-UHFFFAOYSA-N -1 0 416.311 3.836 50 0 HHAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000009799736 571285706 /nfs/dbraw/zinc/28/57/06/571285706.db2.gz JFXWMWVWYUMTPO-UHFFFAOYSA-N -1 0 421.478 3.543 50 0 HHAARM CCc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828704 571286936 /nfs/dbraw/zinc/28/69/36/571286936.db2.gz MSWXDJWLZKCRQV-UHFFFAOYSA-N -1 0 401.513 3.688 50 0 HHAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(-c3nc4ccccc4s3)o1)C2=O ZINC000009951080 571291414 /nfs/dbraw/zinc/29/14/14/571291414.db2.gz ONANBDGVTSXRMU-UHFFFAOYSA-N -1 0 424.482 3.702 50 0 HHAARM CCOc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)N(C)C ZINC000006053021 960824387 /nfs/dbraw/zinc/82/43/87/960824387.db2.gz VZLXNQIBGOFXMW-PKNBQFBNSA-N -1 0 420.465 3.969 50 0 HHAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCc4ccccc4Cl)c(=O)n1c23 ZINC000006166781 960863624 /nfs/dbraw/zinc/86/36/24/960863624.db2.gz ALYKMLDAGMGSKW-NSHDSACASA-N -1 0 400.837 3.937 50 0 HHAARM C[C@@H](NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000096937221 969057717 /nfs/dbraw/zinc/05/77/17/969057717.db2.gz XDUHDSPOPXCNQK-NXIHDVOMSA-N -1 0 421.425 3.569 50 0 HHAARM CCOc1cc2c(cc1/C=C1/CCn3c1nc1cc(C(=O)[O-])ccc1c3=O)O[C@@H](C)C2 ZINC000097993538 969182569 /nfs/dbraw/zinc/18/25/69/969182569.db2.gz MVTRBRDZDRKGSV-GFAPJHNFSA-N -1 0 418.449 3.761 50 0 HHAARM COc1cccc(/C=C\C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC ZINC000222094322 970101682 /nfs/dbraw/zinc/10/16/82/970101682.db2.gz JMCHQBGWIITGRE-TWGQIWQCSA-N -1 0 416.282 3.529 50 0 HHAARM Cc1ccc(-c2csc3ncn(N=Cc4ccccc4OCC(=O)[O-])c(=O)c23)cc1 ZINC000254748975 970578342 /nfs/dbraw/zinc/57/83/42/970578342.db2.gz IRRQYEDWJQPBNU-UHFFFAOYSA-N -1 0 419.462 3.779 50 0 HHAARM COCCn1c(-c2ccc(O)c(C(N)=O)c2)csc1=Nc1ccc(C)c(Cl)c1 ZINC000254765146 970579523 /nfs/dbraw/zinc/57/95/23/970579523.db2.gz MZVWVEVOUDZTTP-UHFFFAOYSA-N -1 0 417.918 3.862 50 0 HHAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000627069 132229202 /nfs/dbraw/zinc/22/92/02/132229202.db2.gz XPFKIOIITQCARG-FGZHOGPDSA-N -1 0 419.525 3.927 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)C(C)C ZINC000005099643 132301342 /nfs/dbraw/zinc/30/13/42/132301342.db2.gz YFLFGZSSACCBCG-UHFFFAOYSA-N -1 0 402.516 3.740 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccs1 ZINC000005144753 132303235 /nfs/dbraw/zinc/30/32/35/132303235.db2.gz HGINFPWPZIZXJL-UHFFFAOYSA-N -1 0 400.529 3.996 50 0 aggregator HHAARM COC(=O)C1=C(C)N(c2cccc(C(=O)[O-])c2)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000007948398 132326340 /nfs/dbraw/zinc/32/63/40/132326340.db2.gz FDLUCGFEQPVMPI-QGZVFWFLSA-N -1 0 400.818 3.756 50 0 HHAARM CCC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009111462 132335936 /nfs/dbraw/zinc/33/59/36/132335936.db2.gz OOIKAGGVGHXKRP-ISLYRVAYSA-N -1 0 412.877 3.765 50 0 HHAARM O=S(=O)([N-]c1cccc(Cl)c1N1CCOCC1)c1ccccc1C(F)(F)F ZINC000012606510 132365071 /nfs/dbraw/zinc/36/50/71/132365071.db2.gz JLOUEWPKMPUJBL-UHFFFAOYSA-N -1 0 420.840 3.996 50 0 HHAARM CC(C)CCNC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000032778456 519656570 /nfs/dbraw/zinc/65/65/70/519656570.db2.gz ZCWXJGMYYATWSK-UHFFFAOYSA-N -1 0 407.348 3.867 50 0 HHAARM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000032096169 523578553 /nfs/dbraw/zinc/57/85/53/523578553.db2.gz VMAVROJNIQYNGQ-UHFFFAOYSA-N -1 0 407.293 3.528 50 0 HHAARM O=C(Cc1cccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000040845981 527273214 /nfs/dbraw/zinc/27/32/14/527273214.db2.gz OGEKWXKRWIIEPV-UHFFFAOYSA-N -1 0 418.478 3.612 50 0 HHAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O ZINC000043771952 527573072 /nfs/dbraw/zinc/57/30/72/527573072.db2.gz WTYSXBKKVNOOIX-KSKLXAOMSA-N -1 0 402.506 3.855 50 0 in-vitro HHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005099578 536562542 /nfs/dbraw/zinc/56/25/42/536562542.db2.gz HVQFRZHUCLHYKM-UHFFFAOYSA-N -1 0 414.527 3.802 50 0 HHAARM CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000000684678 557057976 /nfs/dbraw/zinc/05/79/76/557057976.db2.gz BYAODLCHIRSVLB-LJQANCHMSA-N -1 0 422.466 3.793 50 0 HHAARM Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)cc1 ZINC000000754889 557076498 /nfs/dbraw/zinc/07/64/98/557076498.db2.gz NFVDKCSHTYREHI-UHFFFAOYSA-N -1 0 400.390 3.746 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000000789842 557081076 /nfs/dbraw/zinc/08/10/76/557081076.db2.gz HHPULQZYWGZUDS-UHFFFAOYSA-N -1 0 422.919 3.542 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3F)C2)cc1OC ZINC000000890369 557112036 /nfs/dbraw/zinc/11/20/36/557112036.db2.gz GFPBOZOPRURFGB-SFHVURJKSA-N -1 0 414.433 3.776 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3F)cc2)no1 ZINC000001044820 557155812 /nfs/dbraw/zinc/15/58/12/557155812.db2.gz PWNNNUJYAWLDMN-UHFFFAOYSA-N -1 0 424.454 3.871 50 0 HHAARM O=S(=O)([N-]NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000001047309 557156833 /nfs/dbraw/zinc/15/68/33/557156833.db2.gz FYIWCCIYBFHFSM-UHFFFAOYSA-N -1 0 410.735 3.827 50 0 HHAARM Cc1cccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)c1 ZINC000001178012 557228690 /nfs/dbraw/zinc/22/86/90/557228690.db2.gz LRZQPEDKUOGHIO-UHFFFAOYSA-N -1 0 404.422 3.963 50 0 HHAARM Cc1ccccc1NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001438893 557263544 /nfs/dbraw/zinc/26/35/44/557263544.db2.gz MYNRBNOGGOKYFV-UHFFFAOYSA-N -1 0 406.463 3.592 50 0 HHAARM CCN1c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)c3cccc(c23)C1=O ZINC000001448660 557267189 /nfs/dbraw/zinc/26/71/89/557267189.db2.gz AVOMNAQODOXAKO-UHFFFAOYSA-N -1 0 412.467 3.638 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)CC(=O)[O-] ZINC000002562451 557356597 /nfs/dbraw/zinc/35/65/97/557356597.db2.gz QYPPYPBSORZTKU-PMACEKPBSA-N -1 0 415.486 3.537 50 0 HHAARM O=C([O-])[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002565872 557356801 /nfs/dbraw/zinc/35/68/01/557356801.db2.gz JZSULZSNDXGGHP-GOTSBHOMSA-N -1 0 417.461 3.582 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000002952626 557430405 /nfs/dbraw/zinc/43/04/05/557430405.db2.gz QOJYHVNMAJJEGX-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1C ZINC000003135952 557449935 /nfs/dbraw/zinc/44/99/35/557449935.db2.gz WPDDYJJRVHQOQS-UHFFFAOYSA-N -1 0 405.863 3.998 50 0 HHAARM O=C([O-])c1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003644784 557496221 /nfs/dbraw/zinc/49/62/21/557496221.db2.gz LGGQLLZWDFVEOL-LDADJPATSA-N -1 0 407.813 3.926 50 0 HHAARM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000004195047 557527685 /nfs/dbraw/zinc/52/76/85/557527685.db2.gz WKBREAHLDIKPDY-YWPYICTPSA-N -1 0 404.797 3.505 50 0 HHAARM CCOC(=O)c1ccc(-c2c(=O)c3cc(CC)c([O-])cc3oc2C(=O)OCC)o1 ZINC000004294873 557537022 /nfs/dbraw/zinc/53/70/22/557537022.db2.gz RRULFUDBYAJXKI-UHFFFAOYSA-N -1 0 400.383 3.674 50 0 HHAARM Cc1cccnc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000005859461 557677742 /nfs/dbraw/zinc/67/77/42/557677742.db2.gz RJVFMJOQAYXKQM-UHFFFAOYSA-N -1 0 406.099 3.716 50 0 HHAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)cc1 ZINC000002746861 557756984 /nfs/dbraw/zinc/75/69/84/557756984.db2.gz OCVHQNZHFFNBBA-UHFFFAOYSA-N -1 0 418.478 3.991 50 0 HHAARM O=S(=O)([N-]c1cnn(Cc2cccc(F)c2)c1)c1ccc(Br)s1 ZINC000002804294 557763328 /nfs/dbraw/zinc/76/33/28/557763328.db2.gz VDGAYLPHXGYFEI-UHFFFAOYSA-N -1 0 416.297 3.695 50 0 HHAARM CCN1c2ccc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)c3cccc(c23)C1=O ZINC000008715864 557801564 /nfs/dbraw/zinc/80/15/64/557801564.db2.gz UCFNMWIBPXKXHF-UHFFFAOYSA-N -1 0 412.467 3.638 50 0 HHAARM CCOC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000013460449 558263828 /nfs/dbraw/zinc/26/38/28/558263828.db2.gz SDTHCQSMZRGOAK-IBGZPJMESA-N -1 0 410.495 3.966 50 0 HHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000019881881 558301122 /nfs/dbraw/zinc/30/11/22/558301122.db2.gz DRRNRZZYOYVPMU-CQSZACIVSA-N -1 0 411.357 3.708 50 0 HHAARM COc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccccc3)c4=O)c2c1 ZINC000012390230 558396876 /nfs/dbraw/zinc/39/68/76/558396876.db2.gz WKMLRMKXMACZOJ-UHFFFAOYSA-N -1 0 414.465 3.522 50 0 HHAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(F)cc13)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012391702 558396966 /nfs/dbraw/zinc/39/69/66/558396966.db2.gz BJACINARRDDPOK-UHFFFAOYSA-N -1 0 420.419 3.791 50 0 HHAARM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1OC ZINC000012810421 558474826 /nfs/dbraw/zinc/47/48/26/558474826.db2.gz QWIFXQRKIHAUFT-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM CCCc1nnc(SCC(=O)NC2CCC(C(C)(C)CC)CC2)n1CC(=O)[O-] ZINC000012895484 558483494 /nfs/dbraw/zinc/48/34/94/558483494.db2.gz BJHQTNJIIRGHJJ-UHFFFAOYSA-N -1 0 410.584 3.519 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1N1C(=O)c2ccccc2C1=O ZINC000013941664 558604618 /nfs/dbraw/zinc/60/46/18/558604618.db2.gz PIUZUCZUQOJNDU-UHFFFAOYSA-N -1 0 400.390 3.746 50 0 HHAARM Cc1ccc2nc(NC(=O)CSC3=NC(=O)C(c4ccccc4)C([O-])=N3)sc2c1 ZINC000013941914 558604681 /nfs/dbraw/zinc/60/46/81/558604681.db2.gz DROPRJONLFXSAS-UHFFFAOYSA-N -1 0 424.507 3.791 50 0 HHAARM C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(=O)[n-]2)[C@@H]1C ZINC000024747919 558609761 /nfs/dbraw/zinc/60/97/61/558609761.db2.gz XVTXLINOOZNUIM-UEKVPHQBSA-N -1 0 408.474 3.555 50 0 HHAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000014020407 558614131 /nfs/dbraw/zinc/61/41/31/558614131.db2.gz CQNTWXGFGNDYLC-LLVKDONJSA-N -1 0 413.826 3.915 50 0 HHAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000015768149 558752046 /nfs/dbraw/zinc/75/20/46/558752046.db2.gz QSTJCOHCTZOTJG-KGENOOAVSA-N -1 0 416.433 3.803 50 0 biogenic HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)s1 ZINC000022341690 558779630 /nfs/dbraw/zinc/77/96/30/558779630.db2.gz IATMTMWSHWYIDP-UHFFFAOYSA-N -1 0 416.528 3.770 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004820972 558781045 /nfs/dbraw/zinc/78/10/45/558781045.db2.gz AWOAFAXLVFCJHV-VQTJNVASSA-N -1 0 404.466 3.885 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)[C@H](C(=O)[O-])C1 ZINC000017082399 558814428 /nfs/dbraw/zinc/81/44/28/558814428.db2.gz JUZAYHZVIIUIAT-JKSUJKDBSA-N -1 0 402.472 3.657 50 0 HHAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](C)CC2 ZINC000017082528 558814668 /nfs/dbraw/zinc/81/46/68/558814668.db2.gz XRXCAWYLSKTQPA-GFCCVEGCSA-N -1 0 402.545 3.871 50 0 HHAARM CC1=C(C)C[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H](C(=O)[O-])C1 ZINC000017088462 558817328 /nfs/dbraw/zinc/81/73/28/558817328.db2.gz FNGBPKJQMVTSTN-ZWKOTPCHSA-N -1 0 410.436 3.801 50 0 HHAARM COc1ccc2ccc(OC)c(/C=C3/C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c2c1 ZINC000000665099 558829895 /nfs/dbraw/zinc/82/98/95/558829895.db2.gz DQSZVSBAWIWNHF-UYRXBGFRSA-N -1 0 408.454 3.652 50 0 HHAARM CCSc1nnc(-c2ccccc2NC(=O)c2sc(CC)nc2C)c(=O)[n-]1 ZINC000055386025 558880832 /nfs/dbraw/zinc/88/08/32/558880832.db2.gz NOIFRYSVLXLHLM-UHFFFAOYSA-N -1 0 401.517 3.524 50 0 HHAARM Cc1nn(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c1C ZINC000722977660 558891380 /nfs/dbraw/zinc/89/13/80/558891380.db2.gz VEAQKXULUVWFAL-QFIPXVFZSA-N -1 0 419.481 3.800 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1 ZINC000033171262 558899967 /nfs/dbraw/zinc/89/99/67/558899967.db2.gz ZHVSTCXOOLQMNH-UHFFFAOYSA-N -1 0 416.455 3.832 50 0 HHAARM CCc1cccc(NC(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)c1 ZINC000097941992 558947952 /nfs/dbraw/zinc/94/79/52/558947952.db2.gz QDHWBHPPISLLEH-UHFFFAOYSA-N -1 0 413.481 3.842 50 0 HHAARM Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(CC(=O)[O-])CC1 ZINC000067946488 558994934 /nfs/dbraw/zinc/99/49/34/558994934.db2.gz FDBVYIVPSNEGCU-UHFFFAOYSA-N -1 0 407.470 3.645 50 0 HHAARM O=c1c2[n-][nH]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000023126623 559013801 /nfs/dbraw/zinc/01/38/01/559013801.db2.gz HMUMZTSLUJAYLT-SJORKVTESA-N -1 0 400.360 3.692 50 0 HHAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)cc1 ZINC000023157329 559022252 /nfs/dbraw/zinc/02/22/52/559022252.db2.gz GLLWHEFHFZTHRP-IBGZPJMESA-N -1 0 406.511 3.961 50 0 HHAARM Cn1c2ccccc2nc1-c1cc(OCC(=O)[O-])cc(-c2nc3ccccc3n2C)n1 ZINC000082048482 559036065 /nfs/dbraw/zinc/03/60/65/559036065.db2.gz NOZKSUXEHFMUGC-UHFFFAOYSA-N -1 0 413.437 3.652 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3cccs3)cc2)nc(C)n1 ZINC000033333803 559063317 /nfs/dbraw/zinc/06/33/17/559063317.db2.gz NXKFJXUBTADLSF-YFHOEESVSA-N -1 0 414.512 3.608 50 0 HHAARM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000060800470 559067710 /nfs/dbraw/zinc/06/77/10/559067710.db2.gz BZZLMMCOCQMKOF-UHFFFAOYSA-N -1 0 406.479 3.869 50 0 HHAARM CCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(CCC)c1=O ZINC000100670667 559137597 /nfs/dbraw/zinc/13/75/97/559137597.db2.gz PWPVGHNMSCTPRQ-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1F ZINC000005099650 559244742 /nfs/dbraw/zinc/24/47/42/559244742.db2.gz BZFCATHUHCBMJR-UHFFFAOYSA-N -1 0 406.479 3.570 50 0 HHAARM Cc1ccc(OCc2nnc(SCc3cc(C(=O)[O-])cc4c3OCOC4)o2)cc1 ZINC000011945241 559269080 /nfs/dbraw/zinc/26/90/80/559269080.db2.gz DJXRFSVCGLFINM-UHFFFAOYSA-N -1 0 414.439 3.814 50 0 HHAARM O=C([O-])[C@H](Cc1ccc(CO)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243992 559276028 /nfs/dbraw/zinc/27/60/28/559276028.db2.gz FXOZFJQSHVZWCN-QHCPKHFHSA-N -1 0 417.461 3.713 50 0 HHAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000136046587 559276517 /nfs/dbraw/zinc/27/65/17/559276517.db2.gz AWYACEIVBOFBHB-FDFHNCONSA-N -1 0 418.424 3.885 50 0 HHAARM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)nn1 ZINC000005204259 560538502 /nfs/dbraw/zinc/53/85/02/560538502.db2.gz NWTFKYGBSZRTQJ-UHFFFAOYSA-N -1 0 409.389 3.972 50 0 HHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000983122 560726719 /nfs/dbraw/zinc/72/67/19/560726719.db2.gz AJMFJCSXHLZTQP-JTQLQIEISA-N -1 0 417.350 3.840 50 0 HHAARM O=S(=O)(NCCc1ccccc1)c1cc(Br)ccc1Br ZINC000011635213 560773139 /nfs/dbraw/zinc/77/31/39/560773139.db2.gz YABSGILOJPWAAK-UHFFFAOYSA-N -1 0 419.138 3.733 50 0 HHAARM Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167900 560787408 /nfs/dbraw/zinc/78/74/08/560787408.db2.gz ZGHJFBMZWCYOQK-OAQYLSRUSA-N -1 0 410.433 3.951 50 0 HHAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101417827 560794795 /nfs/dbraw/zinc/79/47/95/560794795.db2.gz SLMWVSVUBSLSDP-SJORKVTESA-N -1 0 418.375 3.598 50 0 HHAARM CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(C)c2[O-])=Nc2ccccc2S1 ZINC000101495236 560796285 /nfs/dbraw/zinc/79/62/85/560796285.db2.gz JDYZJWBGYJVPPW-GOSISDBHSA-N -1 0 423.494 3.536 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(C)cc3C)c([O-])c3cccnc32)c1 ZINC000101722221 560798730 /nfs/dbraw/zinc/79/87/30/560798730.db2.gz ULOODEFTPXATEL-UHFFFAOYSA-N -1 0 415.449 3.969 50 0 HHAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722365 560798819 /nfs/dbraw/zinc/79/88/19/560798819.db2.gz SZMZLXXKCKSXNT-UHFFFAOYSA-N -1 0 419.412 3.800 50 0 HHAARM O=C(Nc1cc(F)ccc1F)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722347 560798824 /nfs/dbraw/zinc/79/88/24/560798824.db2.gz PGHNDTCNAYCVJP-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM CC(C)[C@H](NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1)c1cccs1 ZINC000101791590 560801394 /nfs/dbraw/zinc/80/13/94/560801394.db2.gz YPOFNKGTKQCZPF-SFHVURJKSA-N -1 0 407.561 3.731 50 0 HHAARM CCc1ccc(CN(C(=O)c2ccc(F)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877886 560804220 /nfs/dbraw/zinc/80/42/20/560804220.db2.gz AGXXXPDLFBMNJU-UHFFFAOYSA-N -1 0 419.460 3.583 50 0 HHAARM CCc1ccc(CN(C(=O)c2cccs2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877928 560804274 /nfs/dbraw/zinc/80/42/74/560804274.db2.gz USTSXIDTJBEEOX-UHFFFAOYSA-N -1 0 407.499 3.505 50 0 HHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3C)cnn21 ZINC000102810598 560829335 /nfs/dbraw/zinc/82/93/35/560829335.db2.gz HLUQTBPPRIRBGW-LJQANCHMSA-N -1 0 418.453 3.826 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)cc1 ZINC000102820656 560829539 /nfs/dbraw/zinc/82/95/39/560829539.db2.gz ZWRRYNNSZJBPON-IBGZPJMESA-N -1 0 422.416 3.657 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)cc1 ZINC000102820838 560829549 /nfs/dbraw/zinc/82/95/49/560829549.db2.gz YDFZNLTWLXHSLJ-PYUISTEWSA-N -1 0 416.437 3.793 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2[C@H](c2ccc(F)cc2)C1 ZINC000102901475 560835023 /nfs/dbraw/zinc/83/50/23/560835023.db2.gz HCRMISUGSBOAKM-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3OCC)ccc2OC)n1 ZINC000046020204 568423847 /nfs/dbraw/zinc/42/38/47/568423847.db2.gz PCBDHXKFSYPRJB-UHFFFAOYSA-N -1 0 417.487 3.897 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3ccccc3C)cc2C(=O)[O-])CC1 ZINC000046053388 568425366 /nfs/dbraw/zinc/42/53/66/568425366.db2.gz TVQNRZPFNQEGEO-UHFFFAOYSA-N -1 0 410.470 3.725 50 0 HHAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000049003347 568446457 /nfs/dbraw/zinc/44/64/57/568446457.db2.gz SGYMYQGQGQZAGZ-UHFFFAOYSA-N -1 0 422.869 3.872 50 0 HHAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1cccc(Cl)c1 ZINC000049003345 568446461 /nfs/dbraw/zinc/44/64/61/568446461.db2.gz SDALMTPUTOISRH-UHFFFAOYSA-N -1 0 404.879 3.733 50 0 HHAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccncc1 ZINC000095750649 568511452 /nfs/dbraw/zinc/51/14/52/568511452.db2.gz GHMLGGDNHSFPRJ-QGZVFWFLSA-N -1 0 402.450 3.864 50 0 HHAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000020215508 568594580 /nfs/dbraw/zinc/59/45/80/568594580.db2.gz SLMWVSVUBSLSDP-DLBZAZTESA-N -1 0 418.375 3.598 50 0 HHAARM Cc1nn2cc(S(=O)(=O)[N-]c3ccc4[nH]c(C5CCC5)nc4c3)cnc2c1Cl ZINC000095452965 568615595 /nfs/dbraw/zinc/61/55/95/568615595.db2.gz YYCTWMJXZGLFBT-UHFFFAOYSA-N -1 0 416.894 3.636 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)n1C ZINC000021030396 568659351 /nfs/dbraw/zinc/65/93/51/568659351.db2.gz ZHHPWCGICWQNMB-UHFFFAOYSA-N -1 0 417.575 3.932 50 0 HHAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)c1 ZINC000095939648 568661426 /nfs/dbraw/zinc/66/14/26/568661426.db2.gz JBOXWBMXKZIJLJ-UHFFFAOYSA-N -1 0 406.847 3.891 50 0 HHAARM CCc1ccc([C@@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000225849644 568680515 /nfs/dbraw/zinc/68/05/15/568680515.db2.gz FFMJKNNWFBBIDB-FQEVSTJZSA-N -1 0 410.470 3.809 50 0 HHAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000000852092 568712581 /nfs/dbraw/zinc/71/25/81/568712581.db2.gz VLGMFPYZEZJNTP-MDWZMJQESA-N -1 0 422.510 3.855 50 0 HHAARM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccccc4F)c3)cn2n1 ZINC000012441333 568724190 /nfs/dbraw/zinc/72/41/90/568724190.db2.gz FKMCPMOQQGQMGH-UHFFFAOYSA-N -1 0 412.446 3.653 50 0 HHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)c2)no1 ZINC000021702169 568741809 /nfs/dbraw/zinc/74/18/09/568741809.db2.gz GYFFZBJVNWWSFT-UHFFFAOYSA-N -1 0 402.457 3.816 50 0 HHAARM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1O ZINC000086057061 568753846 /nfs/dbraw/zinc/75/38/46/568753846.db2.gz WMMKPLDVANEGDX-OAHLLOKOSA-N -1 0 423.494 3.559 50 0 HHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)c1 ZINC000002493406 568776258 /nfs/dbraw/zinc/77/62/58/568776258.db2.gz PBYLFVAKFCPOCM-UHFFFAOYSA-N -1 0 417.464 3.826 50 0 HHAARM CC(C)(C)OC(=O)N[C@H](CSc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000002576525 568784828 /nfs/dbraw/zinc/78/48/28/568784828.db2.gz CQGQEOXVHCLQIO-SECBINFHSA-N -1 0 400.806 3.824 50 0 HHAARM COc1ccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(=O)[O-])cc3)oc2c1 ZINC000002951718 568829361 /nfs/dbraw/zinc/82/93/61/568829361.db2.gz SWKMLAVOUUFJOP-LVWGJNHUSA-N -1 0 418.405 3.895 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@@H](C)CC)c(=O)c2cc1OCC ZINC000003010284 568837661 /nfs/dbraw/zinc/83/76/61/568837661.db2.gz ZCUPBVHZFHCOEQ-ZDUSSCGKSA-N -1 0 407.536 3.551 50 0 HHAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012521167 568841726 /nfs/dbraw/zinc/84/17/26/568841726.db2.gz POUIQTJXERGZHJ-UHFFFAOYSA-N -1 0 420.270 3.598 50 0 HHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012525945 568842817 /nfs/dbraw/zinc/84/28/17/568842817.db2.gz RGPWSGMZONJWHN-UHFFFAOYSA-N -1 0 404.669 3.690 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(C)n2)ccc1C ZINC000012526344 568843252 /nfs/dbraw/zinc/84/32/52/568843252.db2.gz NCHZEAHRGAQSPJ-UHFFFAOYSA-N -1 0 411.483 3.760 50 0 HHAARM COCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003043701 568848234 /nfs/dbraw/zinc/84/82/34/568848234.db2.gz FCRZWRUZLPBDBT-UHFFFAOYSA-N -1 0 401.532 3.716 50 0 HHAARM CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000003190481 568860553 /nfs/dbraw/zinc/86/05/53/568860553.db2.gz KKZUJSRWGQBCMI-YPHDTHBOSA-N -1 0 409.441 3.956 50 0 HHAARM O=C(NCCc1ccc(Cl)cc1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628111 568881892 /nfs/dbraw/zinc/88/18/92/568881892.db2.gz URYLHWBDYRQCJF-UHFFFAOYSA-N -1 0 421.931 3.570 50 0 HHAARM CCn1c(=O)c2c(nc1SCC(=O)c1ccc(O)cc1O)sc1c2CCCC1 ZINC000003510134 568910980 /nfs/dbraw/zinc/91/09/80/568910980.db2.gz XTZAJBPEVDLATQ-UHFFFAOYSA-N -1 0 416.524 3.743 50 0 HHAARM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635639 568921625 /nfs/dbraw/zinc/92/16/25/568921625.db2.gz VLVQCMZYWQWOOB-UHFFFAOYSA-N -1 0 417.490 3.966 50 0 HHAARM CC(NCc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000001407356 568928280 /nfs/dbraw/zinc/92/82/80/568928280.db2.gz CAQOFBKBHXAWOP-MHWRWJLKSA-N -1 0 422.243 3.779 50 0 HHAARM CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000031776726 568931090 /nfs/dbraw/zinc/93/10/90/568931090.db2.gz PHFVGNZYUQQERW-UHFFFAOYSA-N -1 0 422.812 3.741 50 0 HHAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc(NC(C)(C)C)s3)c12 ZINC000012749808 568937739 /nfs/dbraw/zinc/93/77/39/568937739.db2.gz MKMIEZJYCOJOHF-UHFFFAOYSA-N -1 0 410.546 3.950 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000004085325 568940173 /nfs/dbraw/zinc/94/01/73/568940173.db2.gz YZZKRIZRJMANSB-NRFANRHFSA-N -1 0 413.429 3.886 50 0 biogenic HHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])c(OC)c1 ZINC000004194588 568951189 /nfs/dbraw/zinc/95/11/89/568951189.db2.gz NWYYVJCCHGRTBL-FQEVSTJZSA-N -1 0 410.470 3.945 50 0 HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)s1 ZINC000004270516 568956801 /nfs/dbraw/zinc/95/68/01/568956801.db2.gz QMDNGCIDPNZURJ-UHFFFAOYSA-N -1 0 416.528 3.770 50 0 HHAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2ccccc2o1 ZINC000008132064 568975679 /nfs/dbraw/zinc/97/56/79/568975679.db2.gz CZGQKITYMDNPKX-UHFFFAOYSA-N -1 0 411.417 3.573 50 0 HHAARM COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000008185236 568980325 /nfs/dbraw/zinc/98/03/25/568980325.db2.gz JFYMGXNNRXPZOL-UHFFFAOYSA-N -1 0 416.459 3.745 50 0 HHAARM CCOc1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)ccc1OCC(=O)[O-] ZINC000035131347 568996947 /nfs/dbraw/zinc/99/69/47/568996947.db2.gz UZWOWTHXSCOLBT-VGOFMYFVSA-N -1 0 418.243 3.804 50 0 HHAARM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2s1 ZINC000015870344 569017281 /nfs/dbraw/zinc/01/72/81/569017281.db2.gz OYVMFTUWLHDWLC-UHFFFAOYSA-N -1 0 411.455 3.970 50 0 HHAARM CCOc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723529 569017473 /nfs/dbraw/zinc/01/74/73/569017473.db2.gz QXNLZCWKCDLQFJ-UHFFFAOYSA-N -1 0 401.422 3.742 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000020730393 569031188 /nfs/dbraw/zinc/03/11/88/569031188.db2.gz JWKPIEFNBMOAQI-IIBYNOLFSA-N -1 0 408.454 3.669 50 0 HHAARM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000026540559 569032954 /nfs/dbraw/zinc/03/29/54/569032954.db2.gz PKGRHUYQQLTSDJ-UHFFFAOYSA-N -1 0 402.394 3.513 50 0 HHAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1)N1CCCCC1 ZINC000035405217 569035822 /nfs/dbraw/zinc/03/58/22/569035822.db2.gz IXTPPBZNHFWKHN-UHFFFAOYSA-N -1 0 402.900 3.968 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2)no1 ZINC000001771866 569052431 /nfs/dbraw/zinc/05/24/31/569052431.db2.gz KKGCRQZEXIJETR-UHFFFAOYSA-N -1 0 414.468 3.646 50 0 HHAARM O=C([O-])CSc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1 ZINC000006474835 569058339 /nfs/dbraw/zinc/05/83/39/569058339.db2.gz SACIEJGYEJKDBG-UHFFFAOYSA-N -1 0 420.288 3.786 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc(F)c3)C2)cc1OC ZINC000089459874 569060718 /nfs/dbraw/zinc/06/07/18/569060718.db2.gz OIYPMVNZOMPRQN-GOSISDBHSA-N -1 0 414.433 3.776 50 0 HHAARM O=C([O-])c1cccc(-c2ccc(C=C3N[C@@H](NN=Cc4ccccc4)SC3=O)o2)c1 ZINC000252602163 569060737 /nfs/dbraw/zinc/06/07/37/569060737.db2.gz FGBQCRJLGVYACL-AKPBLEGMSA-N -1 0 419.462 3.756 50 0 HHAARM O=C([O-])c1ccc2c(c1)nc(CSc1nnc(Nc3ccccc3)s1)[nH]c2=O ZINC000006508452 569061824 /nfs/dbraw/zinc/06/18/24/569061824.db2.gz RZJROKJTQRSCAN-UHFFFAOYSA-N -1 0 411.468 3.509 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(C)cc3)c(C(=O)[O-])c2)C1 ZINC000064588693 569068911 /nfs/dbraw/zinc/06/89/11/569068911.db2.gz VOCTVGSZLAMABF-QGZVFWFLSA-N -1 0 410.470 3.725 50 0 HHAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)C[C@H](C)O1 ZINC000016689776 569070512 /nfs/dbraw/zinc/07/05/12/569070512.db2.gz QQQJVYRIRIPWQN-JKIFEVAISA-N -1 0 410.499 3.955 50 0 HHAARM Cc1cc2oc(=O)c(CC(=O)NCCC(=O)[O-])c(C)c2c2occ(-c3ccccc3)c21 ZINC000006623991 569075447 /nfs/dbraw/zinc/07/54/47/569075447.db2.gz IJFZQEMIOYSWCW-UHFFFAOYSA-N -1 0 419.433 3.956 50 0 biogenic HHAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)n1C ZINC000064863088 569111320 /nfs/dbraw/zinc/11/13/20/569111320.db2.gz IXRAUZKRYSPOHT-UHFFFAOYSA-N -1 0 404.410 3.638 50 0 HHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)s2)o1 ZINC000064920036 569120991 /nfs/dbraw/zinc/12/09/91/569120991.db2.gz GPAPTHAXDCRAHA-UHFFFAOYSA-N -1 0 414.306 3.978 50 0 HHAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)C1 ZINC000036354963 569148276 /nfs/dbraw/zinc/14/82/76/569148276.db2.gz OCRNSKWMOCXEJY-FTLABTOESA-N -1 0 423.307 3.592 50 0 HHAARM CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1cccc(Cl)c1 ZINC000006878896 569165232 /nfs/dbraw/zinc/16/52/32/569165232.db2.gz KUOJRUSEVSFICE-OAHLLOKOSA-N -1 0 417.874 3.628 50 0 HHAARM CCc1ccc(CNC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000065249906 569205971 /nfs/dbraw/zinc/20/59/71/569205971.db2.gz JQCNNSKLTZCILW-UHFFFAOYSA-N -1 0 422.872 3.565 50 0 HHAARM O=c1[nH]c2c(cnn2Cc2ccccc2)c([O-])c1-c1nc(-c2cccc(Cl)c2)no1 ZINC000065256932 569208545 /nfs/dbraw/zinc/20/85/45/569208545.db2.gz XIICJAYIMBJXPK-UHFFFAOYSA-N -1 0 419.828 3.849 50 0 HHAARM O=C([O-])C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(F)cc1F ZINC000170592102 569240973 /nfs/dbraw/zinc/24/09/73/569240973.db2.gz UMDUXPYOZBBMOQ-SFHVURJKSA-N -1 0 418.421 3.946 50 0 HHAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)N2CCc3ccccc32)cc1)C(=O)[O-] ZINC000013579335 569256515 /nfs/dbraw/zinc/25/65/15/569256515.db2.gz KBFQENMNLKTESH-SEWDUPMJSA-N -1 0 410.495 3.726 50 0 HHAARM CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OCC(=O)[O-] ZINC000013915167 569258138 /nfs/dbraw/zinc/25/81/38/569258138.db2.gz GCTUZHYKEOFELC-QPEQYQDCSA-N -1 0 418.243 3.804 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCc3ccccc3)cs2)cc1 ZINC000016848657 569265376 /nfs/dbraw/zinc/26/53/76/569265376.db2.gz SVKXBHUTZFOMGF-UHFFFAOYSA-N -1 0 415.540 3.501 50 0 HHAARM COc1cccc2c1c([O-])c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C ZINC000000602397 569276698 /nfs/dbraw/zinc/27/66/98/569276698.db2.gz ONDYALNGTUAJDX-UHFFFAOYSA-N -1 0 406.360 3.548 50 0 investigational HHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCC(=O)[O-])oc1c3CCCC1 ZINC000002153015 569290155 /nfs/dbraw/zinc/29/01/55/569290155.db2.gz NLXJNOYRHKAESV-UHFFFAOYSA-N -1 0 411.454 3.640 50 0 biogenic HHAARM Cc1oc2c(cc3c(C)c(CC(=O)N4CCC(C(=O)[O-])CC4)c(=O)oc3c2C)c1C ZINC000002156886 569290389 /nfs/dbraw/zinc/29/03/89/569290389.db2.gz ORNLFLKKVARRMQ-UHFFFAOYSA-N -1 0 411.454 3.639 50 0 biogenic HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)cc1F ZINC000007729026 569303438 /nfs/dbraw/zinc/30/34/38/569303438.db2.gz LGARFXRXUNLVCC-UHFFFAOYSA-N -1 0 403.332 3.970 50 0 HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1cc(F)ccc1F ZINC000007729055 569303506 /nfs/dbraw/zinc/30/35/06/569303506.db2.gz RXRFRKPBOPJLNT-UHFFFAOYSA-N -1 0 403.332 3.970 50 0 HHAARM COc1ccc([C@@H](CC(=O)Nc2cccc(OC)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470792 569380992 /nfs/dbraw/zinc/38/09/92/569380992.db2.gz DSFDLACOASROGJ-LJQANCHMSA-N -1 0 409.438 3.832 50 0 HHAARM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@H]1c1ccccc1 ZINC000013109407 569409311 /nfs/dbraw/zinc/40/93/11/569409311.db2.gz XYOWVOQYORCUKY-JJRVBVJISA-N -1 0 414.474 3.701 50 0 HHAARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000079061386 569426291 /nfs/dbraw/zinc/42/62/91/569426291.db2.gz GDBVDXGWCOOBRV-UHFFFAOYSA-N -1 0 413.826 3.563 50 0 HHAARM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000028724790 571037688 /nfs/dbraw/zinc/03/76/88/571037688.db2.gz MKSHBNBKSFQBPI-AWEZNQCLSA-N -1 0 400.442 3.855 50 0 HHAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000008974867 571197807 /nfs/dbraw/zinc/19/78/07/571197807.db2.gz SQUCAUCERUEPOO-SFHVURJKSA-N -1 0 423.416 3.960 50 0 HHAARM CCN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2OCC(C)(C)C1=O ZINC000009166333 571232741 /nfs/dbraw/zinc/23/27/41/571232741.db2.gz SGDKHKNJVZQORP-UHFFFAOYSA-N -1 0 410.442 3.537 50 0 HHAARM CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1 ZINC000009348609 571250477 /nfs/dbraw/zinc/25/04/77/571250477.db2.gz DQQNULLQGWVXCP-UHFFFAOYSA-N -1 0 400.818 3.600 50 0 HHAARM CSc1ccc(-c2c3c(C)nn(-c4ccccc4)c3[nH]c3nc(=O)[n-]c(=O)c2-3)cc1 ZINC000009486096 571262402 /nfs/dbraw/zinc/26/24/02/571262402.db2.gz DFANCYQUTNXHCG-UHFFFAOYSA-N -1 0 415.478 3.648 50 0 HHAARM CC(=O)Nc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)ccc1[O-] ZINC000009499677 571263303 /nfs/dbraw/zinc/26/33/03/571263303.db2.gz VFTNGXHREKLCOO-UHFFFAOYSA-N -1 0 422.510 3.843 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)n1C ZINC000009684929 571279581 /nfs/dbraw/zinc/27/95/81/571279581.db2.gz DAXRKMZMJFTTCK-UHFFFAOYSA-N -1 0 409.939 3.722 50 0 HHAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccc(Cl)cc1 ZINC000009761970 571284522 /nfs/dbraw/zinc/28/45/22/571284522.db2.gz IZFBCXPISWYXEJ-UHFFFAOYSA-N -1 0 416.311 3.836 50 0 HHAARM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000010009688 571294075 /nfs/dbraw/zinc/29/40/75/571294075.db2.gz NSTDGCNGRQHIDD-UHFFFAOYSA-N -1 0 418.496 3.818 50 0 HHAARM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000010186587 571295984 /nfs/dbraw/zinc/29/59/84/571295984.db2.gz LQXWPUGHBZVSIT-UHFFFAOYSA-N -1 0 415.471 3.696 50 0 HHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1C ZINC000010516510 571304193 /nfs/dbraw/zinc/30/41/93/571304193.db2.gz LBMLDACJQMDIRM-UHFFFAOYSA-N -1 0 403.378 3.744 50 0 HHAARM COc1cc(/C=C2\CCCCn3c(=O)c4ccc(C(=O)[O-])cc4nc32)cc(OC)c1 ZINC000008486865 961546759 /nfs/dbraw/zinc/54/67/59/961546759.db2.gz ZEFCUCSOXCKLDV-OQLLNIDSSA-N -1 0 406.438 3.836 50 0 HHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cc(Br)cs1)CC3 ZINC000014015949 962407224 /nfs/dbraw/zinc/40/72/24/962407224.db2.gz RXJFEFIAMBXRSQ-WEVVVXLNSA-N -1 0 403.257 3.863 50 0 HHAARM O=C([O-])c1n[nH]cc1CN1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071661515 968853379 /nfs/dbraw/zinc/85/33/79/968853379.db2.gz ROCOHXSCIJWISJ-KRWDZBQOSA-N -1 0 405.454 3.995 50 0 HHAARM COc1cc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1OC ZINC000089385683 969037402 /nfs/dbraw/zinc/03/74/02/969037402.db2.gz TZACTJGMRDIQOC-DHDCSXOGSA-N -1 0 420.465 3.945 50 0 HHAARM Cc1cccc(N2CCN(c3ccc(NC(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-])cc3)CC2)c1 ZINC000000627082 132229231 /nfs/dbraw/zinc/22/92/31/132229231.db2.gz HQXNNJIISHPTSI-GOTSBHOMSA-N -1 0 419.525 3.927 50 0 HHAARM Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1Cl ZINC000004626394 132280620 /nfs/dbraw/zinc/28/06/20/132280620.db2.gz FMHAUYIRSUQMKU-UHFFFAOYSA-N -1 0 424.932 3.680 50 0 HHAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000020578032 521397196 /nfs/dbraw/zinc/39/71/96/521397196.db2.gz XYEHKMBOKWPGJM-UHFFFAOYSA-N -1 0 420.409 3.518 50 0 HHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(Cl)cc21 ZINC000006893130 534801282 /nfs/dbraw/zinc/80/12/82/534801282.db2.gz GWJCDHRNGGLCRZ-UHFFFAOYSA-N -1 0 415.298 3.848 50 0 HHAARM O=C([O-])[C@@H]1CCCN(C(=O)CCn2ccc3ccc(OCc4ccccc4)cc32)C1 ZINC000040309840 526271178 /nfs/dbraw/zinc/27/11/78/526271178.db2.gz RFEDJCZRLBYVJE-HXUWFJFHSA-N -1 0 406.482 3.934 50 0 biogenic HHAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3SC3CCCC3)cc2oc1=O ZINC000032094415 527105137 /nfs/dbraw/zinc/10/51/37/527105137.db2.gz JUMFGOZUNMUUFQ-UHFFFAOYSA-N -1 0 404.513 3.967 50 0 HHAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1 ZINC000043804399 527248944 /nfs/dbraw/zinc/24/89/44/527248944.db2.gz ZLRDLGYAGPVWIG-UHFFFAOYSA-N -1 0 402.785 3.740 50 0 HHAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)o2)n[nH]1 ZINC000020577153 527485117 /nfs/dbraw/zinc/48/51/17/527485117.db2.gz UBNANJPVOJLSQP-UHFFFAOYSA-N -1 0 419.768 3.503 50 0 HHAARM O=C([O-])COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2c1 ZINC000045951670 527619111 /nfs/dbraw/zinc/61/91/11/527619111.db2.gz LJTHMUWJKVLKIC-UHFFFAOYSA-N -1 0 422.311 3.713 50 0 HHAARM O=C([O-])Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12 ZINC000000538557 557018410 /nfs/dbraw/zinc/01/84/10/557018410.db2.gz BCSVCWVQNOXFGL-UHFFFAOYSA-N -1 0 419.384 3.700 50 0 in-man HHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2OC)cc1 ZINC000000705296 557063632 /nfs/dbraw/zinc/06/36/32/557063632.db2.gz VMVAODVUNFOTPR-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1 ZINC000000835974 557096431 /nfs/dbraw/zinc/09/64/31/557096431.db2.gz DQADLPSRODRHAL-MDWZMJQESA-N -1 0 408.483 3.546 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3F)C2)cc1OC ZINC000000890367 557112053 /nfs/dbraw/zinc/11/20/53/557112053.db2.gz GFPBOZOPRURFGB-GOSISDBHSA-N -1 0 414.433 3.776 50 0 HHAARM CCC(=O)[N-]S(=O)(=O)c1cccnc1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000987846 557133185 /nfs/dbraw/zinc/13/31/85/557133185.db2.gz WLADDQOMJAEGGT-UHFFFAOYSA-N -1 0 407.801 3.712 50 0 HHAARM O=C(NCC1CC1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000001032805 557148227 /nfs/dbraw/zinc/14/82/27/557148227.db2.gz QVFJIKXPEWHYFV-UHFFFAOYSA-N -1 0 405.328 3.996 50 0 HHAARM COC(=O)C1=C(Nc2ccccc2[N-]S(=O)(=O)c2ccccc2Cl)CSC1 ZINC000001037659 557151363 /nfs/dbraw/zinc/15/13/63/557151363.db2.gz NYNXKAMLRFBNRZ-UHFFFAOYSA-N -1 0 424.931 3.727 50 0 HHAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 ZINC000001042656 557154282 /nfs/dbraw/zinc/15/42/82/557154282.db2.gz DOCGWETVZQBVQM-UHFFFAOYSA-N -1 0 409.316 3.665 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000001211610 557243336 /nfs/dbraw/zinc/24/33/36/557243336.db2.gz WIVHFTSJDBFRDA-NRFANRHFSA-N -1 0 402.450 3.673 50 0 biogenic HHAARM CCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000001507296 557270686 /nfs/dbraw/zinc/27/06/86/557270686.db2.gz UPUKZMSYMFEDBY-SFHVURJKSA-N -1 0 410.455 3.617 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000001517346 557271072 /nfs/dbraw/zinc/27/10/72/557271072.db2.gz QTYKQUZAELQIIZ-QGZVFWFLSA-N -1 0 401.260 3.992 50 0 HHAARM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001779486 557287173 /nfs/dbraw/zinc/28/71/73/557287173.db2.gz HBTWFPWOFHMNAN-UHFFFAOYSA-N -1 0 417.512 3.742 50 0 HHAARM O=C([O-])c1ccc(NC(=O)Cc2cccs2)c(NC(=O)Cc2cccs2)c1 ZINC000002812029 557394271 /nfs/dbraw/zinc/39/42/71/557394271.db2.gz RMNISDFCAABIKU-UHFFFAOYSA-N -1 0 400.481 3.870 50 0 HHAARM CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000002871668 557415161 /nfs/dbraw/zinc/41/51/61/557415161.db2.gz OKNROUASRYZMOA-UHFFFAOYSA-N -1 0 410.923 3.606 50 0 HHAARM Cc1ccc(-n2c3c(c(=O)[n-]c2=S)C(C(F)(F)F)(C(F)(F)F)NC(=O)N3)cc1 ZINC000002883673 557420663 /nfs/dbraw/zinc/42/06/63/557420663.db2.gz UDLYAEBUMZMMRF-UHFFFAOYSA-N -1 0 424.326 3.659 50 0 HHAARM O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O)NCc1ccccc1 ZINC000034764017 557461427 /nfs/dbraw/zinc/46/14/27/557461427.db2.gz GXGPAYSOVSQTRY-UHFFFAOYSA-N -1 0 418.497 3.672 50 0 HHAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 ZINC000003269561 557465987 /nfs/dbraw/zinc/46/59/87/557465987.db2.gz YDPVSOXBIPPYCS-UHFFFAOYSA-N -1 0 420.450 3.956 50 0 HHAARM CCc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C(=O)[O-])c2ccccc21 ZINC000003635194 557495774 /nfs/dbraw/zinc/49/57/74/557495774.db2.gz ACCPTPOVBWUFJU-YKUCYRFJSA-N -1 0 423.468 3.884 50 0 HHAARM O=C([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl ZINC000003816311 557498852 /nfs/dbraw/zinc/49/88/52/557498852.db2.gz WWONFUQGBVOKOF-UHFFFAOYSA-N -1 0 415.117 3.936 50 0 investigational HHAARM O=C1N[C@@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000004452601 557555847 /nfs/dbraw/zinc/55/58/47/557555847.db2.gz UUDKPQFCUQYSAV-QGZVFWFLSA-N -1 0 406.389 3.719 50 0 HHAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000004652683 557576143 /nfs/dbraw/zinc/57/61/43/557576143.db2.gz OSMCMVUCBQXDRB-QNGOZBTKSA-N -1 0 416.433 3.803 50 0 HHAARM Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000004664556 557578267 /nfs/dbraw/zinc/57/82/67/557578267.db2.gz MEYBMRFBPQRMLF-UHFFFAOYSA-N -1 0 402.863 3.565 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000005500195 557658181 /nfs/dbraw/zinc/65/81/81/557658181.db2.gz IYHMWAPEEGFFEQ-CVEARBPZSA-N -1 0 408.901 3.571 50 0 HHAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c1 ZINC000006700647 557715988 /nfs/dbraw/zinc/71/59/88/557715988.db2.gz VJBRRPODZBRUSK-UHFFFAOYSA-N -1 0 415.895 3.955 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])csc2C1 ZINC000002760661 557755381 /nfs/dbraw/zinc/75/53/81/557755381.db2.gz ABFBPAAUWNZRBG-BPLDGKMQSA-N -1 0 406.548 3.551 50 0 HHAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)n1 ZINC000002780563 557761592 /nfs/dbraw/zinc/76/15/92/557761592.db2.gz AQZQKCJCEURVPQ-UHFFFAOYSA-N -1 0 419.938 3.679 50 0 HHAARM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000007843059 557764825 /nfs/dbraw/zinc/76/48/25/557764825.db2.gz JATGEOGDEMCNLI-AWEZNQCLSA-N -1 0 417.512 3.658 50 0 HHAARM COc1ccc(C(=O)Nc2ccc(-c3nc([N-]c4nc(C)cc(C)n4)n[nH]3)cc2)cc1 ZINC000008560184 557794907 /nfs/dbraw/zinc/79/49/07/557794907.db2.gz FLYRNQFMBBUOFJ-UHFFFAOYSA-N -1 0 415.457 3.883 50 0 HHAARM Cc1cccc(C)c1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 ZINC000008575195 558262122 /nfs/dbraw/zinc/26/21/22/558262122.db2.gz KXMNNLMKNFDNBN-UHFFFAOYSA-N -1 0 415.902 3.939 50 0 HHAARM O=C([O-])CCCCCCCCCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012374545 558391404 /nfs/dbraw/zinc/39/14/04/558391404.db2.gz JWQWGRZZSZJUIV-UHFFFAOYSA-N -1 0 424.563 3.687 50 0 HHAARM CCCN1C(=O)NC(=Cc2c(Cc3cccs3)[n-]n(-c3ccccc3)c2=O)C1=O ZINC000004355440 558442945 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3.914 50 0 HHAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)c1ccccc1 ZINC000014632648 558662459 /nfs/dbraw/zinc/66/24/59/558662459.db2.gz UPEAXWJZGLFDFI-FGZHOGPDSA-N -1 0 403.434 3.712 50 0 HHAARM CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000072274615 558700471 /nfs/dbraw/zinc/70/04/71/558700471.db2.gz IPHVZNUVMODFRN-UHFFFAOYSA-N -1 0 402.241 3.502 50 0 HHAARM C[C@H]1CCc2[nH]c3c(cccc3C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c2C1 ZINC000030563217 558732898 /nfs/dbraw/zinc/73/28/98/558732898.db2.gz PRQUDAFYPOFHHW-LBPRGKRZSA-N -1 0 406.511 3.863 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000015434208 558739787 /nfs/dbraw/zinc/73/97/87/558739787.db2.gz LPTOMLRCDNIASV-HZPDHXFCSA-N -1 0 402.516 3.614 50 0 HHAARM CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc21 ZINC000072301078 558751094 /nfs/dbraw/zinc/75/10/94/558751094.db2.gz BQQZMTAIANHOBQ-UHFFFAOYSA-N -1 0 413.421 3.598 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000068740868 558756986 /nfs/dbraw/zinc/75/69/86/558756986.db2.gz LPMZZEBMEQIMOQ-UHFFFAOYSA-N -1 0 402.241 3.566 50 0 HHAARM COc1ccc(OC)c(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(Br)cc2)c1 ZINC000016115885 558772658 /nfs/dbraw/zinc/77/26/58/558772658.db2.gz CKXTYOOQMQXOLQ-ZDUSSCGKSA-N -1 0 422.275 3.738 50 0 HHAARM CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000016123850 558772914 /nfs/dbraw/zinc/77/29/14/558772914.db2.gz MULAGSYVTBFWGO-HNNXBMFYSA-N -1 0 413.312 3.518 50 0 HHAARM Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCc2ccccc2)cc1 ZINC000000754363 558774302 /nfs/dbraw/zinc/77/43/02/558774302.db2.gz YDFFJXVDHJTEJM-UHFFFAOYSA-N -1 0 419.510 3.667 50 0 HHAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002501108 558776486 /nfs/dbraw/zinc/77/64/86/558776486.db2.gz YTLSLXBJQVQBSF-YOEHRIQHSA-N -1 0 424.316 3.825 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004820970 558780930 /nfs/dbraw/zinc/78/09/30/558780930.db2.gz 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CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)[C@@H](C(=O)[O-])C1 ZINC000017090747 558819466 /nfs/dbraw/zinc/81/94/66/558819466.db2.gz BUMRHLINJSWVEU-HOTGVXAUSA-N -1 0 416.543 3.905 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017091508 558820094 /nfs/dbraw/zinc/82/00/94/558820094.db2.gz OCFLZJXDSMDXAV-SNPRPXQTSA-N -1 0 418.559 3.985 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094010 558822337 /nfs/dbraw/zinc/82/23/37/558822337.db2.gz NWDRGFDDZIYMNZ-JKSUJKDBSA-N -1 0 424.522 3.772 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000046141129 558839847 /nfs/dbraw/zinc/83/98/47/558839847.db2.gz BCSTVTWCJVHOHA-UHFFFAOYSA-N -1 0 423.494 3.779 50 0 HHAARM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000722394426 558886455 /nfs/dbraw/zinc/88/64/55/558886455.db2.gz GGHYBJQTJUXCAO-AWEZNQCLSA-N -1 0 403.438 3.735 50 0 HHAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)Cc1ccccc1 ZINC000722975925 558891401 /nfs/dbraw/zinc/89/14/01/558891401.db2.gz AVWRDMWEWHYRJC-DHIUTWEWSA-N -1 0 417.461 3.582 50 0 HHAARM O=S(=O)([N-]c1ccccc1-c1cccs1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000058135775 558901008 /nfs/dbraw/zinc/90/10/08/558901008.db2.gz GMECQWINDRXXIA-SFHVURJKSA-N -1 0 405.522 3.685 50 0 HHAARM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000004695979 558905659 /nfs/dbraw/zinc/90/56/59/558905659.db2.gz MKLLKMVJIQEIQP-NCUBORBFSA-N -1 0 413.451 3.784 50 0 HHAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccc2)cc1 ZINC000058377555 558922768 /nfs/dbraw/zinc/92/27/68/558922768.db2.gz UUSVDXSXIYZFTL-UHFFFAOYSA-N -1 0 423.416 3.657 50 0 HHAARM CC(=O)Nc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(=O)[O-])c2c1 ZINC000033260782 558926210 /nfs/dbraw/zinc/92/62/10/558926210.db2.gz OBMVYIVCVYMXDQ-UHFFFAOYSA-N -1 0 424.888 3.871 50 0 HHAARM CC(=O)Nc1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260775 558926287 /nfs/dbraw/zinc/92/62/87/558926287.db2.gz PLXOOEYPWWNALY-UHFFFAOYSA-N -1 0 424.888 3.871 50 0 HHAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006147179 559032050 /nfs/dbraw/zinc/03/20/50/559032050.db2.gz ZFXQHPDBNVMNFS-UHFFFAOYSA-N -1 0 402.422 3.696 50 0 HHAARM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000004732711 559033295 /nfs/dbraw/zinc/03/32/95/559033295.db2.gz SNFVWGKYRVHYOS-UHFFFAOYSA-N -1 0 404.307 3.878 50 0 HHAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1Cl)Sc1nc2ccccc2c2nnnn21 ZINC000585157963 559063679 /nfs/dbraw/zinc/06/36/79/559063679.db2.gz XUTFHTYXCDAAKB-AWEZNQCLSA-N -1 0 420.281 3.767 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2nccnc2c1 ZINC000408525647 559215542 /nfs/dbraw/zinc/21/55/42/559215542.db2.gz NMFYAWOAPSUDPT-LJQANCHMSA-N -1 0 408.845 3.826 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC2CCCC2)cc1OC ZINC000005652292 560636622 /nfs/dbraw/zinc/63/66/22/560636622.db2.gz CMYSRONDTXUROS-UHFFFAOYSA-N -1 0 405.472 3.604 50 0 HHAARM Cc1sc(NC(=O)c2ccc(I)cc2)c(C(=O)[O-])c1C ZINC000000708616 560725607 /nfs/dbraw/zinc/72/56/07/560725607.db2.gz PXBKFCQAWKJTTQ-UHFFFAOYSA-N -1 0 401.225 3.920 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1 ZINC000005126958 560737064 /nfs/dbraw/zinc/73/70/64/560737064.db2.gz UYSIBBMUEJOFJF-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(-c4ccc(F)cc4)nn32)cc1 ZINC000101167908 560787435 /nfs/dbraw/zinc/78/74/35/560787435.db2.gz GPNWHBCXINKTBM-FQEVSTJZSA-N -1 0 414.396 3.782 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cc(F)ccc3F)c([O-])c3cccnc32)c1 ZINC000101722196 560798734 /nfs/dbraw/zinc/79/87/34/560798734.db2.gz OZBBPQPPEDZNTQ-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2OC)cc1 ZINC000101835745 560803349 /nfs/dbraw/zinc/80/33/49/560803349.db2.gz VIXBBPZASPOMST-LJQANCHMSA-N -1 0 418.453 3.690 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000101836271 560803543 /nfs/dbraw/zinc/80/35/43/560803543.db2.gz LCBNHTLXSKNJBA-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 ZINC000101836584 560803693 /nfs/dbraw/zinc/80/36/93/560803693.db2.gz CCXCXVNVQVFDST-SFHVURJKSA-N -1 0 404.426 3.518 50 0 HHAARM CCc1ccc(CN(C(=O)c2ccccc2C)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877892 560804286 /nfs/dbraw/zinc/80/42/86/560804286.db2.gz VGOSGDZXNRKPKJ-UHFFFAOYSA-N -1 0 415.497 3.752 50 0 HHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000101983649 560806280 /nfs/dbraw/zinc/80/62/80/560806280.db2.gz DQNDHWLAGUMRRD-AWEZNQCLSA-N -1 0 418.478 3.852 50 0 HHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)Cc3ccccc3Cl)cc2[n-]c1=S ZINC000102792214 560827729 /nfs/dbraw/zinc/82/77/29/560827729.db2.gz HTMQHPZINGXBQO-LBPRGKRZSA-N -1 0 401.919 3.720 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccccc1OC ZINC000102810605 560829306 /nfs/dbraw/zinc/82/93/06/560829306.db2.gz UPBNIBIVQFFWKL-IBGZPJMESA-N -1 0 418.453 3.690 50 0 HHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(F)c3)cnn21 ZINC000102810823 560829353 /nfs/dbraw/zinc/82/93/53/560829353.db2.gz AMATWZFYBIUYPT-GOSISDBHSA-N -1 0 422.416 3.657 50 0 HHAARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000103561203 560843215 /nfs/dbraw/zinc/84/32/15/560843215.db2.gz PQIFHYRZSUYMNW-BHIFYINESA-N -1 0 415.449 3.531 50 0 HHAARM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1Cl ZINC000016345355 560860000 /nfs/dbraw/zinc/86/00/00/560860000.db2.gz QBQDJZKCWBHXSE-UHFFFAOYSA-N -1 0 410.698 3.751 50 0 HHAARM Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)c([O-])c12 ZINC000049008079 568445090 /nfs/dbraw/zinc/44/50/90/568445090.db2.gz FMIPUOHVRYKYTP-UHFFFAOYSA-N -1 0 419.890 3.520 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1OC ZINC000000792968 568480424 /nfs/dbraw/zinc/48/04/24/568480424.db2.gz FBVUKPMTMMLGKM-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000033253997 568512112 /nfs/dbraw/zinc/51/21/12/568512112.db2.gz MJVMMSOWYYJODA-UHFFFAOYSA-N -1 0 406.504 3.821 50 0 HHAARM CCc1ccccc1NC(=O)CSc1[n-]c2ccc(C)cc2c(=O)c1C(=O)OC ZINC000020981972 568654618 /nfs/dbraw/zinc/65/46/18/568654618.db2.gz JVEPWCRQANEOFT-UHFFFAOYSA-N -1 0 410.495 3.916 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)n1C ZINC000021030162 568659164 /nfs/dbraw/zinc/65/91/64/568659164.db2.gz HLTWLSJVIVSDPE-UHFFFAOYSA-N -1 0 423.966 3.968 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1 ZINC000021033172 568659528 /nfs/dbraw/zinc/65/95/28/568659528.db2.gz VQQZSUKCGPIMLS-UHFFFAOYSA-N -1 0 416.455 3.636 50 0 HHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000021154122 568673124 /nfs/dbraw/zinc/67/31/24/568673124.db2.gz SWOIEHCOJXAVGO-UHFFFAOYSA-N -1 0 403.548 3.631 50 0 HHAARM COc1cc(OC)cc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000225780470 568674121 /nfs/dbraw/zinc/67/41/21/568674121.db2.gz IBCAAQKIUCRROF-FQEVSTJZSA-N -1 0 414.433 3.776 50 0 HHAARM O=C([O-])[C@H](CNC(=O)CCc1nc(C2CCCC2)no1)Cc1ccc2ccccc2c1 ZINC000095989524 568677498 /nfs/dbraw/zinc/67/74/98/568677498.db2.gz HDYXNYLMQVVURT-FQEVSTJZSA-N -1 0 421.497 3.873 50 0 HHAARM CCN(CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)Cc1ccc(Cl)cc1 ZINC000095989799 568677755 /nfs/dbraw/zinc/67/77/55/568677755.db2.gz ZTHITANTXGURPS-UHFFFAOYSA-N -1 0 411.285 3.917 50 0 HHAARM O=C([O-])[C@H]1CS[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000003013668 568726709 /nfs/dbraw/zinc/72/67/09/568726709.db2.gz MUWVWLDETLYPGV-ZBFHGGJFSA-N -1 0 412.280 3.955 50 0 HHAARM COCCCN1Cc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3Cl)cc2C1 ZINC000241124288 568730496 /nfs/dbraw/zinc/73/04/96/568730496.db2.gz JGYWRDXTYDARSB-UHFFFAOYSA-N -1 0 410.923 3.502 50 0 HHAARM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1O ZINC000086057182 568753872 /nfs/dbraw/zinc/75/38/72/568753872.db2.gz OKSCTXFTYUEFBD-OAHLLOKOSA-N -1 0 423.494 3.559 50 0 HHAARM CCc1cc(C(=O)[O-])c(NC(=O)c2ccccc2I)s1 ZINC000000975670 568759541 /nfs/dbraw/zinc/75/95/41/568759541.db2.gz NJHMMNSQCPQHOA-UHFFFAOYSA-N -1 0 401.225 3.866 50 0 HHAARM CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c23)CO1 ZINC000000986165 568760518 /nfs/dbraw/zinc/76/05/18/568760518.db2.gz NYLJCDXURTYVJS-CQSZACIVSA-N -1 0 416.524 3.721 50 0 HHAARM CCN1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577414 568770284 /nfs/dbraw/zinc/77/02/84/568770284.db2.gz JDIJNMKYHWFZTI-OAHLLOKOSA-N -1 0 415.544 3.545 50 0 HHAARM CC(=O)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000027933453 568773353 /nfs/dbraw/zinc/77/33/53/568773353.db2.gz SDEOUXOOTVEQTQ-UHFFFAOYSA-N -1 0 414.443 3.630 50 0 HHAARM COc1ccc(NC(=O)Cc2cccs2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002621366 568787784 /nfs/dbraw/zinc/78/77/84/568787784.db2.gz QDOJJLKIUAXIAL-UHFFFAOYSA-N -1 0 420.487 3.878 50 0 HHAARM Cc1ccnn1Cc1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002730806 568804628 /nfs/dbraw/zinc/80/46/28/568804628.db2.gz ZHXOGHKJUOGHRI-UHFFFAOYSA-N -1 0 403.874 3.872 50 0 HHAARM COc1ccc(CNC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000002970333 568831754 /nfs/dbraw/zinc/83/17/54/568831754.db2.gz WRQAEWBSKOPJDU-UHFFFAOYSA-N -1 0 411.527 3.944 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NCCC(C)C)c(=O)c2cc1OCC ZINC000003010268 568837629 /nfs/dbraw/zinc/83/76/29/568837629.db2.gz HWEOHHGVZMJLNG-UHFFFAOYSA-N -1 0 421.563 3.799 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012552472 568854364 /nfs/dbraw/zinc/85/43/64/568854364.db2.gz SDCDTVIAIJYRMI-UHFFFAOYSA-N -1 0 424.404 3.650 50 0 HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)cc1 ZINC000003458902 568860201 /nfs/dbraw/zinc/86/02/01/568860201.db2.gz NBOYJCDCRUVLNP-UHFFFAOYSA-N -1 0 402.785 3.740 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCCC3=CCCCC3)cs2)cc1 ZINC000012628220 568881963 /nfs/dbraw/zinc/88/19/63/568881963.db2.gz WOMCBTRUYAOXRH-UHFFFAOYSA-N -1 0 421.544 3.573 50 0 HHAARM CCCCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)s1 ZINC000012728177 568921024 /nfs/dbraw/zinc/92/10/24/568921024.db2.gz WWYNADOZKJXSPB-UHFFFAOYSA-N -1 0 422.557 3.995 50 0 HHAARM CCc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004110760 568944062 /nfs/dbraw/zinc/94/40/62/568944062.db2.gz ICZCTDDCGJMPKU-LJQANCHMSA-N -1 0 410.470 3.809 50 0 HHAARM NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004180070 568949183 /nfs/dbraw/zinc/94/91/83/568949183.db2.gz DIKJZBPRGIMLAY-STQMWFEESA-N -1 0 404.875 3.773 50 0 HHAARM CN(C(=O)Cc1c2ccccc2n(C)c1C(=O)[O-])c1ccc(Br)cc1 ZINC000004192576 568950363 /nfs/dbraw/zinc/95/03/63/568950363.db2.gz LXNRLTPFIMYVTM-UHFFFAOYSA-N -1 0 401.260 3.845 50 0 HHAARM O=C(CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000004317317 568962635 /nfs/dbraw/zinc/96/26/35/568962635.db2.gz RTQKVTVLYCJMNV-UHFFFAOYSA-N -1 0 404.854 3.691 50 0 HHAARM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(F)ccc1F ZINC000008106533 568974221 /nfs/dbraw/zinc/97/42/21/568974221.db2.gz UBQCAKDQNBLXLM-UHFFFAOYSA-N -1 0 404.442 3.751 50 0 HHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000008131775 568975528 /nfs/dbraw/zinc/97/55/28/568975528.db2.gz HPJNYPBLTRQWHA-UHFFFAOYSA-N -1 0 413.499 3.740 50 0 HHAARM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035105636 568991963 /nfs/dbraw/zinc/99/19/63/568991963.db2.gz JWKPIEFNBMOAQI-KKSFZXQISA-N -1 0 408.454 3.669 50 0 HHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccccc1Cl)CC2 ZINC000015781934 569002894 /nfs/dbraw/zinc/00/28/94/569002894.db2.gz VWTSKKBXCGNKMC-INIZCTEOSA-N -1 0 404.850 3.963 50 0 HHAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000001505407 569006739 /nfs/dbraw/zinc/00/67/39/569006739.db2.gz HPCOVDFQPGGQFV-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000067642892 569008088 /nfs/dbraw/zinc/00/80/88/569008088.db2.gz HKNGCSRXPQGFDM-OAQYLSRUSA-N -1 0 400.438 3.797 50 0 HHAARM C/C(SCC(=O)[O-])=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000001001177 569029547 /nfs/dbraw/zinc/02/95/47/569029547.db2.gz LGPBGRKBHQMCHG-XFFZJAGNSA-N -1 0 401.391 3.653 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000035377902 569034489 /nfs/dbraw/zinc/03/44/89/569034489.db2.gz SCNHPQQAELWMLT-CYBMUJFWSA-N -1 0 423.498 3.630 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(C)CC2)cc1 ZINC000006267814 569036280 /nfs/dbraw/zinc/03/62/80/569036280.db2.gz ZGYRWKWFEIMFLJ-UHFFFAOYSA-N -1 0 402.516 3.758 50 0 HHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000006315539 569040212 /nfs/dbraw/zinc/04/02/12/569040212.db2.gz MDCBQWOROYIDQO-UHFFFAOYSA-N -1 0 403.685 3.862 50 0 HHAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000006316073 569040267 /nfs/dbraw/zinc/04/02/67/569040267.db2.gz DIWSCUWBFVAMFF-UHFFFAOYSA-N -1 0 403.685 3.862 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1OC ZINC000035539361 569043702 /nfs/dbraw/zinc/04/37/02/569043702.db2.gz XXBJAVQNTMMSAM-UHFFFAOYSA-N -1 0 421.500 3.802 50 0 HHAARM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c12 ZINC000089567347 569070296 /nfs/dbraw/zinc/07/02/96/569070296.db2.gz SMTLWNYMUFXJQY-LJQANCHMSA-N -1 0 406.486 3.928 50 0 HHAARM Cc1cc(S(=O)(=O)Nc2cc(F)c(F)cc2Br)cc(C(=O)[O-])c1C ZINC000089585591 569070741 /nfs/dbraw/zinc/07/07/41/569070741.db2.gz WAPUAVRWLVFLPH-UHFFFAOYSA-N -1 0 420.231 3.843 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc(OC)c1 ZINC000064837362 569105143 /nfs/dbraw/zinc/10/51/43/569105143.db2.gz WQQQTTVZZWVAPM-UHFFFAOYSA-N -1 0 418.471 3.785 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866715 569158961 /nfs/dbraw/zinc/15/89/61/569158961.db2.gz KVGTUKGXIBRMRY-LBPRGKRZSA-N -1 0 420.918 3.837 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc1OC ZINC000065060177 569163974 /nfs/dbraw/zinc/16/39/74/569163974.db2.gz WMBYOZRYVKHNKM-UHFFFAOYSA-N -1 0 420.512 3.945 50 0 HHAARM CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1cccc(Cl)c1 ZINC000006878934 569165147 /nfs/dbraw/zinc/16/51/47/569165147.db2.gz KUOJRUSEVSFICE-HNNXBMFYSA-N -1 0 417.874 3.628 50 0 HHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)n1C ZINC000065194170 569192612 /nfs/dbraw/zinc/19/26/12/569192612.db2.gz CFZUUDQGUOONGX-UHFFFAOYSA-N -1 0 400.504 3.987 50 0 HHAARM O=c1[nH]c2c(cnn2Cc2ccccc2)c([O-])c1-c1nc(-c2ccccc2Cl)no1 ZINC000065256931 569208583 /nfs/dbraw/zinc/20/85/83/569208583.db2.gz QSEOYNBJIRHFOD-UHFFFAOYSA-N -1 0 419.828 3.849 50 0 HHAARM O=C(c1ccccc1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260894 569209662 /nfs/dbraw/zinc/20/96/62/569209662.db2.gz KBGHMYNIWZBUFM-UHFFFAOYSA-N -1 0 404.857 3.542 50 0 HHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccc1Br ZINC000036623980 569212693 /nfs/dbraw/zinc/21/26/93/569212693.db2.gz JJAHKVQQCFCQHI-WMLDXEAASA-N -1 0 424.316 3.825 50 0 HHAARM COC(=O)c1cccc(SC)c1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000170609170 569244937 /nfs/dbraw/zinc/24/49/37/569244937.db2.gz LCWPBXVVLVDIQR-UHFFFAOYSA-N -1 0 421.327 3.885 50 0 HHAARM Cc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cccc(C)c4[nH]c3=O)C2)c1 ZINC000170620235 569248706 /nfs/dbraw/zinc/24/87/06/569248706.db2.gz NIIQAVYTQLXJDV-HXUWFJFHSA-N -1 0 417.465 3.687 50 0 HHAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000013696601 569257114 /nfs/dbraw/zinc/25/71/14/569257114.db2.gz YZNKXKDPISMWQR-UHFFFAOYSA-N -1 0 408.888 3.998 50 0 HHAARM O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccc([O-])c(Cl)c1 ZINC000089821363 569266507 /nfs/dbraw/zinc/26/65/07/569266507.db2.gz FXQCODRARYDXNS-MHWRWJLKSA-N -1 0 402.859 3.512 50 0 HHAARM COc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2cccc(Cl)c2)C1=O ZINC000017146053 569275532 /nfs/dbraw/zinc/27/55/32/569275532.db2.gz BVBGIAHQOCDICY-ZSOIEALJSA-N -1 0 407.651 3.573 50 0 HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002104943 569282108 /nfs/dbraw/zinc/28/21/08/569282108.db2.gz MDBZMHWWCZQWBA-WMLDXEAASA-N -1 0 403.475 3.581 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)[O-])c(C)c2oc1=O ZINC000002107318 569283174 /nfs/dbraw/zinc/28/31/74/569283174.db2.gz SVKOVRJLJPRRDJ-HNNXBMFYSA-N -1 0 403.475 3.501 50 0 biogenic HHAARM COCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000252488554 569289424 /nfs/dbraw/zinc/28/94/24/569289424.db2.gz IUPXWOMDWICVDF-UHFFFAOYSA-N -1 0 417.921 3.704 50 0 HHAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002153155 569290143 /nfs/dbraw/zinc/29/01/43/569290143.db2.gz YASBAMVISYUCQH-KRWDZBQOSA-N -1 0 411.454 3.557 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCCC)C(=O)[O-])ccc12 ZINC000002156506 569290350 /nfs/dbraw/zinc/29/03/50/569290350.db2.gz QFGAYCFKFXEBLG-QAPCUYQASA-N -1 0 417.502 3.971 50 0 biogenic HHAARM O=C([O-])Cc1csc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)n1 ZINC000170671090 569297647 /nfs/dbraw/zinc/29/76/47/569297647.db2.gz FGEPGCORVAEZDU-UHFFFAOYSA-N -1 0 406.467 3.680 50 0 HHAARM C[C@](Cc1ccccc1)(NC(=O)c1cc2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC000170671898 569297731 /nfs/dbraw/zinc/29/77/31/569297731.db2.gz FBJQSXBGQOTEEI-LJQANCHMSA-N -1 0 401.260 3.746 50 0 HHAARM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)o1 ZINC000170672722 569297782 /nfs/dbraw/zinc/29/77/82/569297782.db2.gz VRCWFFKZJGIMTG-FOIQADDNSA-N -1 0 424.497 3.911 50 0 HHAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc2c1OCO2 ZINC000066087879 569314305 /nfs/dbraw/zinc/31/43/05/569314305.db2.gz WDFCQCIIPOCXOV-CQSZACIVSA-N -1 0 424.384 3.526 50 0 HHAARM COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc2c1OCO2 ZINC000253401390 569365640 /nfs/dbraw/zinc/36/56/40/569365640.db2.gz FOUYCNXTGPANDW-MRXNPFEDSA-N -1 0 418.401 3.802 50 0 biogenic HHAARM COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccs2)cc1OC ZINC000027531016 569366422 /nfs/dbraw/zinc/36/64/22/569366422.db2.gz UOTURBYRXPEPKD-UHFFFAOYSA-N -1 0 407.451 3.526 50 0 HHAARM COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1cc2c(cc1O)OCO2 ZINC000253413732 569366808 /nfs/dbraw/zinc/36/68/08/569366808.db2.gz VNUOLSVQJIBDTR-OAHLLOKOSA-N -1 0 410.378 3.774 50 0 biogenic HHAARM CCOC(=O)N[C@]([N-]c1cc(Cl)ccc1Cl)(C(=O)OCC)C(F)(F)F ZINC000002307115 569372563 /nfs/dbraw/zinc/37/25/63/569372563.db2.gz DBRJXONNAKLFDG-CYBMUJFWSA-N -1 0 403.184 3.973 50 0 HHAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccco4)c(Cl)c1=O)(C3)C2 ZINC000002354243 569385199 /nfs/dbraw/zinc/38/51/99/569385199.db2.gz ISXWVRSKIUKENI-ZXPDZVFASA-N -1 0 417.893 3.872 50 0 HHAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008481082 571055216 /nfs/dbraw/zinc/05/52/16/571055216.db2.gz BOPYJAZVGBWPOQ-WMZOPIPTSA-N -1 0 418.534 3.571 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000008604782 571091581 /nfs/dbraw/zinc/09/15/81/571091581.db2.gz HZCMVMNNPBYDCM-UHFFFAOYSA-N -1 0 404.513 3.945 50 0 HHAARM CCCCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2CCC1=O ZINC000008840746 571123755 /nfs/dbraw/zinc/12/37/55/571123755.db2.gz SARGBZFERLSFGP-UHFFFAOYSA-N -1 0 402.516 3.884 50 0 HHAARM C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000040113085 571171330 /nfs/dbraw/zinc/17/13/30/571171330.db2.gz FCCVAIINQFMEGY-ZDUSSCGKSA-N -1 0 401.919 3.850 50 0 HHAARM CCCc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)s1 ZINC000040145337 571195455 /nfs/dbraw/zinc/19/54/55/571195455.db2.gz ZGJVFYITXBWNQM-UHFFFAOYSA-N -1 0 408.530 3.605 50 0 HHAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000009126111 571226455 /nfs/dbraw/zinc/22/64/55/571226455.db2.gz ZNGPPLHTBZXCFH-UHFFFAOYSA-N -1 0 420.412 3.835 50 0 HHAARM CN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2OCC(C)(C)C1=O ZINC000009165679 571232534 /nfs/dbraw/zinc/23/25/34/571232534.db2.gz RBEHJODUJPHCQB-UHFFFAOYSA-N -1 0 400.909 3.584 50 0 HHAARM CCN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009170657 571233559 /nfs/dbraw/zinc/23/35/59/571233559.db2.gz IPSVQADBQRMOSR-UHFFFAOYSA-N -1 0 410.442 3.537 50 0 HHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000009173735 571234308 /nfs/dbraw/zinc/23/43/08/571234308.db2.gz XEUWEEUPFNXOOP-UHFFFAOYSA-N -1 0 410.879 3.507 50 0 HHAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C(=O)[O-])c3)C2=O)cc1C ZINC000009233089 571239828 /nfs/dbraw/zinc/23/98/28/571239828.db2.gz AOPXJXFIXXFXRU-LICLKQGHSA-N -1 0 410.451 3.677 50 0 HHAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1c(Cl)cccc1Cl ZINC000009305484 571246515 /nfs/dbraw/zinc/24/65/15/571246515.db2.gz NRBJVKRTSKDPFQ-UHFFFAOYSA-N -1 0 421.309 3.793 50 0 HHAARM CCOc1c(Br)cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1OC ZINC000009360669 571251610 /nfs/dbraw/zinc/25/16/10/571251610.db2.gz WMNJORJOHRILRM-KPKJPENVSA-N -1 0 414.281 3.501 50 0 HHAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nccc(C)n2)cc3=O)cc1OC ZINC000009420085 571256837 /nfs/dbraw/zinc/25/68/37/571256837.db2.gz GABORDONIXVGIW-UHFFFAOYSA-N -1 0 423.498 3.818 50 0 HHAARM COCCn1cc(C(=O)c2cc(Cl)ccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000009645030 571276135 /nfs/dbraw/zinc/27/61/35/571276135.db2.gz OHMZFZCNZDNBPT-UHFFFAOYSA-N -1 0 423.856 3.628 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000009667928 571278280 /nfs/dbraw/zinc/27/82/80/571278280.db2.gz LMTGAFIWSSITTR-UHFFFAOYSA-N -1 0 408.907 3.694 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCCCC2)cc1 ZINC000009903142 571289916 /nfs/dbraw/zinc/28/99/16/571289916.db2.gz DZGUXBVOYDZMSS-UHFFFAOYSA-N -1 0 402.516 3.902 50 0 HHAARM Cc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000033929837 571310600 /nfs/dbraw/zinc/31/06/00/571310600.db2.gz AWVVWIGVSKMSGW-FAXUNHAKSA-N -1 0 405.450 3.838 50 0 HHAARM Cc1sc2[n-]c(=S)n(CCCN3CCOCC3)c(=O)c2c1-c1ccccc1 ZINC000017082274 571314160 /nfs/dbraw/zinc/31/41/60/571314160.db2.gz RYFPBHQCTJSCAQ-UHFFFAOYSA-N -1 0 401.557 3.818 50 0 HHAARM COc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000001178893 960461114 /nfs/dbraw/zinc/46/11/14/960461114.db2.gz QFMMQDQXKNXKRC-UHFFFAOYSA-N -1 0 420.421 3.663 50 0 HHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000002857809 960474127 /nfs/dbraw/zinc/47/41/27/960474127.db2.gz DAGYTGGBYWXSKA-JOCHJYFZSA-N -1 0 420.490 3.809 50 0 HHAARM C[C@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000012603474 962300571 /nfs/dbraw/zinc/30/05/71/962300571.db2.gz XDUHDSPOPXCNQK-OBIHZWKSSA-N -1 0 421.425 3.569 50 0 HHAARM COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000096663355 969049965 /nfs/dbraw/zinc/04/99/65/969049965.db2.gz FBVSYQMMNKLCSL-JYRVWZFOSA-N -1 0 401.216 3.702 50 0 HHAARM CSc1ccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000097993395 969182587 /nfs/dbraw/zinc/18/25/87/969182587.db2.gz DPCFZOSRJBYQPV-NTCAYCPXSA-N -1 0 409.554 3.880 50 0 HHAARM CC(=O)Nc1cccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c1 ZINC000254313829 970570538 /nfs/dbraw/zinc/57/05/38/970570538.db2.gz YWDOXSDPLLTPKA-UHFFFAOYSA-N -1 0 418.453 3.515 50 0 HHAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)C4CCC4)c(C(=O)[O-])c3)CC2)cc1 ZINC000045967826 518353819 /nfs/dbraw/zinc/35/38/19/518353819.db2.gz TXRNRCJMZRIFLY-UHFFFAOYSA-N -1 0 421.497 3.653 50 0 HHAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962114 518409427 /nfs/dbraw/zinc/40/94/27/518409427.db2.gz WBKYFFDVOXOBRH-UHFFFAOYSA-N -1 0 416.499 3.769 50 0 HHAARM CCOC[C@@H](C)CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000390832957 520071063 /nfs/dbraw/zinc/07/10/63/520071063.db2.gz DYWZNTRVIKPWOK-IAGOWNOFSA-N -1 0 404.532 3.592 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)c(Cl)c1 ZINC000032585893 525296786 /nfs/dbraw/zinc/29/67/86/525296786.db2.gz OANXMVUVCGWQQO-UHFFFAOYSA-N -1 0 410.698 3.971 50 0 HHAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020602577 526287384 /nfs/dbraw/zinc/28/73/84/526287384.db2.gz JLKVQCNRVCGHAI-UHFFFAOYSA-N -1 0 422.272 3.539 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000000631274 557026815 /nfs/dbraw/zinc/02/68/15/557026815.db2.gz YBTMFJXOSYKARJ-UHFFFAOYSA-N -1 0 416.890 3.800 50 0 HHAARM CCOC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc2oc(C(=O)OC)cc2c1 ZINC000000636554 557029733 /nfs/dbraw/zinc/02/97/33/557029733.db2.gz ALUGCEKJCHQPJU-UHFFFAOYSA-N -1 0 408.362 3.875 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000000683174 557057161 /nfs/dbraw/zinc/05/71/61/557057161.db2.gz AAHFRPAGILFEFO-UHFFFAOYSA-N -1 0 424.526 3.856 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)c(OC)cc1Cl ZINC000000725841 557073050 /nfs/dbraw/zinc/07/30/50/557073050.db2.gz WBKSJEMNFRXWFA-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000000890351 557112057 /nfs/dbraw/zinc/11/20/57/557112057.db2.gz VCQQLXDZKSPAHO-KRWDZBQOSA-N -1 0 416.861 3.900 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000000890349 557112109 /nfs/dbraw/zinc/11/21/09/557112109.db2.gz VCQQLXDZKSPAHO-QGZVFWFLSA-N -1 0 416.861 3.900 50 0 HHAARM COC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001049357 557158718 /nfs/dbraw/zinc/15/87/18/557158718.db2.gz HCVQNIPRXSMPKP-UHFFFAOYSA-N -1 0 410.451 3.526 50 0 HHAARM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1ccccc1 ZINC000001088664 557177248 /nfs/dbraw/zinc/17/72/48/557177248.db2.gz QWJSSJJUBFTSEB-LJQANCHMSA-N -1 0 410.499 3.718 50 0 HHAARM COC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001111086 557183793 /nfs/dbraw/zinc/18/37/93/557183793.db2.gz FTOXJSMDKHMORW-UHFFFAOYSA-N -1 0 410.451 3.526 50 0 aggregator HHAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Br)c2)c1 ZINC000001134294 557200240 /nfs/dbraw/zinc/20/02/40/557200240.db2.gz CVFRTDLZCASWMW-UHFFFAOYSA-N -1 0 413.680 3.928 50 0 HHAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc2ccccc2cc1OC ZINC000001159347 557216951 /nfs/dbraw/zinc/21/69/51/557216951.db2.gz PUYQXSXXBMFZMG-UHFFFAOYSA-N -1 0 410.451 3.682 50 0 HHAARM CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000001175075 557227231 /nfs/dbraw/zinc/22/72/31/557227231.db2.gz OTWPPNKTBOYNLU-UHFFFAOYSA-N -1 0 418.405 3.815 50 0 biogenic HHAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccccc2)N1C(=S)Nc1ccc(Cl)cc1 ZINC000022628239 557271335 /nfs/dbraw/zinc/27/13/35/557271335.db2.gz DRMSYIXZHMSHRM-WMZOPIPTSA-N -1 0 412.902 3.861 50 0 HHAARM CCOc1ccc(NC(=S)N2[C@@H](C(=O)[O-])Cc3[nH]cnc3[C@@H]2c2ccccc2)cc1 ZINC000022628246 557271362 /nfs/dbraw/zinc/27/13/62/557271362.db2.gz XZAMAKCMQACMRJ-QUCCMNQESA-N -1 0 422.510 3.606 50 0 HHAARM CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002384759 557342544 /nfs/dbraw/zinc/34/25/44/557342544.db2.gz FODJWPHPWBKDON-IBGZPJMESA-N -1 0 411.454 3.710 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583030 557358345 /nfs/dbraw/zinc/35/83/45/557358345.db2.gz PQUQPFKXORWNNZ-NRFANRHFSA-N -1 0 403.434 3.927 50 0 HHAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)c1 ZINC000034764417 557461459 /nfs/dbraw/zinc/46/14/59/557461459.db2.gz JLUMYSXTAQSUOR-UHFFFAOYSA-N -1 0 418.497 3.549 50 0 HHAARM Cc1ccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)cc1Cl ZINC000034767871 557462685 /nfs/dbraw/zinc/46/26/85/557462685.db2.gz IXLVQKPEXNPYGN-UHFFFAOYSA-N -1 0 410.905 3.888 50 0 HHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004179241 557525406 /nfs/dbraw/zinc/52/54/06/557525406.db2.gz XPQRTZDIRPPNBW-YADHBBJMSA-N -1 0 406.526 3.811 50 0 HHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000035397497 557544371 /nfs/dbraw/zinc/54/43/71/557544371.db2.gz XONMMCAUXWMLTK-UHFFFAOYSA-N -1 0 405.520 3.769 50 0 HHAARM Cn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1ccccc1 ZINC000004825916 557603527 /nfs/dbraw/zinc/60/35/27/557603527.db2.gz NRGBQNQJRZEJHX-UHFFFAOYSA-N -1 0 402.863 3.565 50 0 HHAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005101180 557635562 /nfs/dbraw/zinc/63/55/62/557635562.db2.gz MOTMVXLFBMXYGN-ZIAGYGMSSA-N -1 0 403.431 3.946 50 0 HHAARM CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S)n32)CO1 ZINC000005611222 557665161 /nfs/dbraw/zinc/66/51/61/557665161.db2.gz BYPIQBYLJZTMDQ-AWEZNQCLSA-N -1 0 412.540 3.540 50 0 HHAARM COc1ccc(-c2cnn(-c3nc(-c4ccccc4)c(CC(=O)[O-])s3)c2N)cc1 ZINC000005703155 557669218 /nfs/dbraw/zinc/66/92/18/557669218.db2.gz OUVQWVWTGRDEAN-UHFFFAOYSA-N -1 0 406.467 3.881 50 0 HHAARM O=S(=O)([N-]c1ccc(I)cc1)c1cccc2cccnc21 ZINC000005925667 557681071 /nfs/dbraw/zinc/68/10/71/557681071.db2.gz GEZZNPJNSMWQLV-UHFFFAOYSA-N -1 0 410.236 3.640 50 0 HHAARM O=C([O-])CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006225700 557694869 /nfs/dbraw/zinc/69/48/69/557694869.db2.gz CUSCLNWUTIFMGT-UHFFFAOYSA-N -1 0 408.690 3.922 50 0 HHAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000006268887 557696976 /nfs/dbraw/zinc/69/69/76/557696976.db2.gz IHCJNPCEDORBQE-UHFFFAOYSA-N -1 0 402.497 3.732 50 0 HHAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc(-c2ccccc2)on1)CC[C@@H](C)C3 ZINC000002797100 557765559 /nfs/dbraw/zinc/76/55/59/557765559.db2.gz UMXMZVXEMFGCLJ-GFCCVEGCSA-N -1 0 420.494 3.930 50 0 HHAARM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000008910575 557813963 /nfs/dbraw/zinc/81/39/63/557813963.db2.gz NYINFMHVQURUFD-UHFFFAOYSA-N -1 0 414.417 3.742 50 0 HHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1c[nH]c3ccc(OC)cc13)c2=O ZINC000009108910 557824011 /nfs/dbraw/zinc/82/40/11/557824011.db2.gz QWYCGRAYWUOUKP-UHFFFAOYSA-N -1 0 409.467 3.578 50 0 biogenic HHAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000009356432 557839049 /nfs/dbraw/zinc/83/90/49/557839049.db2.gz MEGUKJHMHUIJFC-UHFFFAOYSA-N -1 0 413.524 3.534 50 0 HHAARM COC(=O)COc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000009426171 557842695 /nfs/dbraw/zinc/84/26/95/557842695.db2.gz TYFGQUHFSBOUEQ-UHFFFAOYSA-N -1 0 405.406 3.856 50 0 HHAARM O=C([O-])c1cc(NC(=O)CSc2nnc3c4ccccc4[nH]c3n2)ccc1Cl ZINC000009583673 557846201 /nfs/dbraw/zinc/84/62/01/557846201.db2.gz RNXXUKDILDEAQB-UHFFFAOYSA-N -1 0 413.846 3.589 50 0 HHAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccccc1 ZINC000009892655 557850965 /nfs/dbraw/zinc/85/09/65/557850965.db2.gz ZYQQSMCTUOBWRT-OQLLNIDSSA-N -1 0 417.259 3.607 50 0 HHAARM O=c1[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1CCCC2 ZINC000019991294 558317304 /nfs/dbraw/zinc/31/73/04/558317304.db2.gz NERSOZOTLPDIOW-UHFFFAOYSA-N -1 0 400.526 3.560 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccccc1F)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000012412309 558401241 /nfs/dbraw/zinc/40/12/41/558401241.db2.gz GLFAVKACTYOWPI-KRWDZBQOSA-N -1 0 402.319 3.628 50 0 HHAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000004354662 558440038 /nfs/dbraw/zinc/44/00/38/558440038.db2.gz WKUAULZMYIKCKD-MOSHPQCFSA-N -1 0 402.454 3.542 50 0 HHAARM Cc1c(C)c2cc3c(CCNC(=O)c4ccccc4C(=O)[O-])coc3cc2oc1=O ZINC000013681077 558566598 /nfs/dbraw/zinc/56/65/98/558566598.db2.gz FBVDEUCQLVUIOO-UHFFFAOYSA-N -1 0 405.406 3.827 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)C2CCCCC2)c1 ZINC000024991080 558625845 /nfs/dbraw/zinc/62/58/45/558625845.db2.gz UJUALHLBYDLUSM-UHFFFAOYSA-N -1 0 404.488 3.720 50 0 HHAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)nn1-c1ccc(Br)cc1 ZINC000025781835 558649756 /nfs/dbraw/zinc/64/97/56/558649756.db2.gz VKGMLMORRGKMQF-UHFFFAOYSA-N -1 0 401.216 3.771 50 0 HHAARM Cc1ccc(-c2nonc2[N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000027663050 558678585 /nfs/dbraw/zinc/67/85/85/558678585.db2.gz VFIGXMOMECAQCX-UHFFFAOYSA-N -1 0 404.382 3.724 50 0 HHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000028807796 558704866 /nfs/dbraw/zinc/70/48/66/558704866.db2.gz XYWJSFRRSZOLNS-UHFFFAOYSA-N -1 0 409.678 3.959 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000015434210 558739766 /nfs/dbraw/zinc/73/97/66/558739766.db2.gz LPTOMLRCDNIASV-IYBDPMFKSA-N -1 0 402.516 3.614 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000015434209 558739800 /nfs/dbraw/zinc/73/98/00/558739800.db2.gz LPTOMLRCDNIASV-HOTGVXAUSA-N -1 0 402.516 3.614 50 0 HHAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1Cl ZINC000016096285 558771569 /nfs/dbraw/zinc/77/15/69/558771569.db2.gz ZBUZMSVAFAXCTO-UHFFFAOYSA-N -1 0 408.328 3.815 50 0 HHAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002501106 558776491 /nfs/dbraw/zinc/77/64/91/558776491.db2.gz YTLSLXBJQVQBSF-RHSMWYFYSA-N -1 0 424.316 3.825 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082487 558814583 /nfs/dbraw/zinc/81/45/83/558814583.db2.gz UDLVDBPNXKKGGT-KBPBESRZSA-N -1 0 402.516 3.515 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017088514 558817339 /nfs/dbraw/zinc/81/73/39/558817339.db2.gz HGKGBDROGUSSSG-HOTGVXAUSA-N -1 0 410.495 3.913 50 0 HHAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017090663 558819299 /nfs/dbraw/zinc/81/92/99/558819299.db2.gz CNLJWVUAPAOLKN-ZDUSSCGKSA-N -1 0 416.499 3.555 50 0 HHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(NC(C)=O)sc2c1 ZINC000033007598 558828531 /nfs/dbraw/zinc/82/85/31/558828531.db2.gz QTWDRBNKFKBFPS-UHFFFAOYSA-N -1 0 411.892 3.718 50 0 HHAARM CCOCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000004599235 558835064 /nfs/dbraw/zinc/83/50/64/558835064.db2.gz VBVOZXRIKNTSEU-RVKKMQEKSA-N -1 0 417.575 3.666 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc1Cl ZINC000033086331 558870994 /nfs/dbraw/zinc/87/09/94/558870994.db2.gz AJEKVCDMTFJBPC-UHFFFAOYSA-N -1 0 409.851 3.516 50 0 HHAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253553 558921720 /nfs/dbraw/zinc/92/17/20/558921720.db2.gz QHWBHQFIHLXCOZ-UHFFFAOYSA-N -1 0 406.504 3.821 50 0 HHAARM CCC(=O)Nc1ccc2nc(N3CCN(c4cccc(C)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260738 558926273 /nfs/dbraw/zinc/92/62/73/558926273.db2.gz FMYSMMHCSTWQML-UHFFFAOYSA-N -1 0 418.497 3.917 50 0 HHAARM O=C([O-])c1cccc(-n2cccc2/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000033286862 559043753 /nfs/dbraw/zinc/04/37/53/559043753.db2.gz SKNKQCUDNWAXHL-PDGQHHTCSA-N -1 0 407.813 3.926 50 0 HHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000011332814 559056249 /nfs/dbraw/zinc/05/62/49/559056249.db2.gz QVGUPMSORSCGKT-UHFFFAOYSA-N -1 0 403.500 3.876 50 0 HHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000014097680 559150813 /nfs/dbraw/zinc/15/08/13/559150813.db2.gz YREUOPOXKZYNJC-UHFFFAOYSA-N -1 0 403.685 3.862 50 0 HHAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1NC(=O)/C=C/c1ccco1 ZINC000004822822 559151562 /nfs/dbraw/zinc/15/15/62/559151562.db2.gz YIPMUXJZEJEFGT-PKNBQFBNSA-N -1 0 406.394 3.891 50 0 HHAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)ccc4OC)cc3)cn2n1 ZINC000011693568 559187810 /nfs/dbraw/zinc/18/78/10/559187810.db2.gz QIEWDMRTDFQCAA-UHFFFAOYSA-N -1 0 424.482 3.523 50 0 HHAARM CC(C)NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000011695885 559189062 /nfs/dbraw/zinc/18/90/62/559189062.db2.gz ORYMNOUXDFQBDC-UHFFFAOYSA-N -1 0 415.540 3.526 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000005021127 559229225 /nfs/dbraw/zinc/22/92/25/559229225.db2.gz MXASBNLPNWRENT-AGIUHOORSA-N -1 0 404.532 3.604 50 0 HHAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238881755 559271614 /nfs/dbraw/zinc/27/16/14/559271614.db2.gz BFYMPCVNAMZPLB-IHRRRGAJSA-N -1 0 421.877 3.529 50 0 biogenic HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000974224 560180227 /nfs/dbraw/zinc/18/02/27/560180227.db2.gz QEPKJDWRLSGDDS-LSDHHAIUSA-N -1 0 410.392 3.701 50 0 biogenic,in-vitro HHAARM COc1ccc(NC(=O)c2ccc(C)o2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005601846 560629118 /nfs/dbraw/zinc/62/91/18/560629118.db2.gz BJTYCIHABFCZKO-UHFFFAOYSA-N -1 0 404.419 3.789 50 0 HHAARM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000005601860 560629172 /nfs/dbraw/zinc/62/91/72/560629172.db2.gz SYWFFYXOTUZZFG-UHFFFAOYSA-N -1 0 412.467 3.757 50 0 HHAARM Cc1cc(=O)n2c(-c3cccc([N-]S(=O)(=O)c4cccs4)c3)csc2n1 ZINC000011696337 560773883 /nfs/dbraw/zinc/77/38/83/560773883.db2.gz XGLIXWTWKUYZLM-UHFFFAOYSA-N -1 0 403.510 3.594 50 0 HHAARM Cc1ccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(Cl)cc2)cc1 ZINC000101582979 560797246 /nfs/dbraw/zinc/79/72/46/560797246.db2.gz PKWJEVIDXCQUKC-UHFFFAOYSA-N -1 0 407.861 3.535 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cc(C)ccc3C)c([O-])c3cccnc32)c1 ZINC000101722216 560798703 /nfs/dbraw/zinc/79/87/03/560798703.db2.gz ZCFSRMNXJBNVCS-UHFFFAOYSA-N -1 0 415.449 3.969 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)c([O-])c3cccnc32)c1 ZINC000101722248 560798725 /nfs/dbraw/zinc/79/87/25/560798725.db2.gz GSKSVRGNDDEODV-UHFFFAOYSA-N -1 0 415.449 3.969 50 0 HHAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101767260 560799844 /nfs/dbraw/zinc/79/98/44/560799844.db2.gz UWUUKXVIXHSSAO-MRXNPFEDSA-N -1 0 413.886 3.791 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(C)cc1 ZINC000101835420 560803275 /nfs/dbraw/zinc/80/32/75/560803275.db2.gz GPYMJKMCFFGHTE-HXUWFJFHSA-N -1 0 402.454 3.990 50 0 HHAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000013340804 560804768 /nfs/dbraw/zinc/80/47/68/560804768.db2.gz CVUDKFMZZGEYQP-UHFFFAOYSA-N -1 0 408.632 3.741 50 0 HHAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000102573121 560816694 /nfs/dbraw/zinc/81/66/94/560816694.db2.gz UMXUKUFUCKMFMG-ZHZULCJRSA-N -1 0 418.453 3.706 50 0 HHAARM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1Cl ZINC000016449292 560860841 /nfs/dbraw/zinc/86/08/41/560860841.db2.gz BEOOWABIWWZNSJ-UHFFFAOYSA-N -1 0 413.680 3.928 50 0 HHAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000006482884 560872431 /nfs/dbraw/zinc/87/24/31/560872431.db2.gz FMOKZNHUZSVKFF-UHFFFAOYSA-N -1 0 400.422 3.988 50 0 HHAARM CCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000046017437 568423752 /nfs/dbraw/zinc/42/37/52/568423752.db2.gz CERIENZQBXESCG-UHFFFAOYSA-N -1 0 419.347 3.708 50 0 HHAARM O=S(=O)([N-]c1ccc(Oc2ncccn2)cc1)c1ccccc1Br ZINC000048230420 568433302 /nfs/dbraw/zinc/43/33/02/568433302.db2.gz BAPSSDJLGCADAF-UHFFFAOYSA-N -1 0 406.261 3.832 50 0 HHAARM O=C([O-])c1cccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000000799956 568483647 /nfs/dbraw/zinc/48/36/47/568483647.db2.gz POJPHDRZUAGZKQ-CQSZACIVSA-N -1 0 410.373 3.845 50 0 HHAARM O=C(Nc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000020102551 568587905 /nfs/dbraw/zinc/58/79/05/568587905.db2.gz XAAIIHOLDCCEDM-UHFFFAOYSA-N -1 0 402.479 3.575 50 0 HHAARM Cc1c(Cc2ccccc2)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000000794213 568605084 /nfs/dbraw/zinc/60/50/84/568605084.db2.gz BANHQLBNKVOICA-GJZGRUSLSA-N -1 0 400.500 3.576 50 0 HHAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000095424795 568607745 /nfs/dbraw/zinc/60/77/45/568607745.db2.gz VDDJGDNXBDAGKW-UHFFFAOYSA-N -1 0 421.425 3.512 50 0 HHAARM Cc1nc(CCNC(=O)c2cc(Br)c([O-])c(Br)c2)cs1 ZINC000095436644 568609724 /nfs/dbraw/zinc/60/97/24/568609724.db2.gz FASPRWYHIZTGCD-UHFFFAOYSA-N -1 0 420.126 3.655 50 0 HHAARM C[C@@H](NC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1)C12CC3CC(CC(C3)C1)C2 ZINC000020618514 568638293 /nfs/dbraw/zinc/63/82/93/568638293.db2.gz BJNOSISAHVUYID-XSXQVXRUSA-N -1 0 415.559 3.510 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000095945316 568663429 /nfs/dbraw/zinc/66/34/29/568663429.db2.gz ASTMBIDSOBFOJH-IBGZPJMESA-N -1 0 414.433 3.776 50 0 HHAARM O=C([O-])C1CC2(C1)C[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000685944846 568722792 /nfs/dbraw/zinc/72/27/92/568722792.db2.gz CZUOTNFFUHIVIN-DMISQSQKSA-N -1 0 407.466 3.938 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc(OC)c1OC ZINC000096323470 568731885 /nfs/dbraw/zinc/73/18/85/568731885.db2.gz DDPWTEYQKKDUSJ-UHFFFAOYSA-N -1 0 424.500 3.847 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)n1 ZINC000000888859 568739780 /nfs/dbraw/zinc/73/97/80/568739780.db2.gz KJSGQYAAXNOMAX-JXMROGBWSA-N -1 0 414.512 3.608 50 0 HHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000018995310 568745037 /nfs/dbraw/zinc/74/50/37/568745037.db2.gz GOQLSDJFSZFYKC-UHFFFAOYSA-N -1 0 413.480 3.870 50 0 HHAARM CCOC(=O)c1c(C)n(C)c2cc(Br)c([O-])c(N(C)C(=O)OCC)c21 ZINC000000977810 568759656 /nfs/dbraw/zinc/75/96/56/568759656.db2.gz XNVIMGHFOSXCCW-UHFFFAOYSA-N -1 0 413.268 3.724 50 0 HHAARM CC1(C)CON(Cc2cc(NC(=O)c3ccccc3C(=O)[O-])ccc2Cl)C1=O ZINC000096592644 568763319 /nfs/dbraw/zinc/76/33/19/568763319.db2.gz LGMOARSQMBVALA-UHFFFAOYSA-N -1 0 402.834 3.591 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)nc(C)n1 ZINC000001088116 568768851 /nfs/dbraw/zinc/76/88/51/568768851.db2.gz FNVFSMBZIPQTMP-VQTJNVASSA-N -1 0 422.510 3.636 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)nc(C)n1 ZINC000001088117 568768990 /nfs/dbraw/zinc/76/89/90/568768990.db2.gz FNVFSMBZIPQTMP-UXHICEINSA-N -1 0 422.510 3.636 50 0 HHAARM CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578104 568770056 /nfs/dbraw/zinc/77/00/56/568770056.db2.gz ILKLQSPMHNTUMB-LJQANCHMSA-N -1 0 413.591 3.909 50 0 HHAARM O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000225635673 568777743 /nfs/dbraw/zinc/77/77/43/568777743.db2.gz QJTBXZNERGHOPB-NRFANRHFSA-N -1 0 418.424 3.943 50 0 HHAARM Cn1ncc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)c1C(=O)[O-] ZINC000002793521 568810278 /nfs/dbraw/zinc/81/02/78/568810278.db2.gz XMUHXUBMIJKCGQ-UHFFFAOYSA-N -1 0 401.778 3.840 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnc2)cc1 ZINC000006025926 568835778 /nfs/dbraw/zinc/83/57/78/568835778.db2.gz LNVOXYQMYVXKFX-UHFFFAOYSA-N -1 0 424.404 3.710 50 0 HHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000012605033 568870867 /nfs/dbraw/zinc/87/08/67/568870867.db2.gz UWELLZQJLIRMHF-UHFFFAOYSA-N -1 0 419.528 3.715 50 0 HHAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccco2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000035053064 568872537 /nfs/dbraw/zinc/87/25/37/568872537.db2.gz VLJQADBFDVUVNF-SLEUVZQESA-N -1 0 405.428 3.771 50 0 HHAARM Cc1nc2ccccc2n1CCCNC(=O)c1cc(C)cc(Br)c1[O-] ZINC000058406997 568916780 /nfs/dbraw/zinc/91/67/80/568916780.db2.gz CELLCGHTIWOQRF-UHFFFAOYSA-N -1 0 402.292 3.941 50 0 HHAARM CCN(CC)C(=O)Cn1ccc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000058438899 568918772 /nfs/dbraw/zinc/91/87/72/568918772.db2.gz RIGQGNQTZYSMRB-UHFFFAOYSA-N -1 0 419.934 3.964 50 0 HHAARM COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000003865009 568927866 /nfs/dbraw/zinc/92/78/66/568927866.db2.gz QWOGXVWZEPZNIX-FQEVSTJZSA-N -1 0 410.470 3.945 50 0 HHAARM CC(C)(C)SCCOC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000084240991 568944840 /nfs/dbraw/zinc/94/48/40/568944840.db2.gz ROTFOFZIVAFJJV-UHFFFAOYSA-N -1 0 400.547 3.632 50 0 HHAARM O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc2N1 ZINC000015731014 568981476 /nfs/dbraw/zinc/98/14/76/568981476.db2.gz KIBDULCXCHRWGI-UHFFFAOYSA-N -1 0 402.419 3.941 50 0 HHAARM COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2C)[n-]c2ccc(C)cc2c1=O ZINC000015731503 568982022 /nfs/dbraw/zinc/98/20/22/568982022.db2.gz HRRNXPXCOHVSDN-UHFFFAOYSA-N -1 0 410.495 3.971 50 0 HHAARM CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397333 569034878 /nfs/dbraw/zinc/03/48/78/569034878.db2.gz GNURQCIFOLANAA-UHFFFAOYSA-N -1 0 417.531 3.940 50 0 HHAARM Cc1cccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397616 569034985 /nfs/dbraw/zinc/03/49/85/569034985.db2.gz IZQHXZZLGYUONV-UHFFFAOYSA-N -1 0 403.504 3.660 50 0 HHAARM O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(NC2CCCCC2)c(Cl)c1=O)C3 ZINC000016383038 569040252 /nfs/dbraw/zinc/04/02/52/569040252.db2.gz BECIXMWCXLSPGT-HXJMXURKSA-N -1 0 405.926 3.877 50 0 HHAARM O=C([O-])c1sccc1S(=O)(=O)NCc1ccccc1COc1ccccc1 ZINC000012980152 569042671 /nfs/dbraw/zinc/04/26/71/569042671.db2.gz ZFWQUXVXXURRCZ-UHFFFAOYSA-N -1 0 403.481 3.504 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(OC)c1 ZINC000035557083 569044658 /nfs/dbraw/zinc/04/46/58/569044658.db2.gz AZIYGIXKZIZWCA-UHFFFAOYSA-N -1 0 421.500 3.884 50 0 HHAARM CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 ZINC000004134473 569051758 /nfs/dbraw/zinc/05/17/58/569051758.db2.gz QLJODMDSTUBWDW-BXMDZJJMSA-N -1 0 422.562 3.716 50 0 in-vivo HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239377562 569054269 /nfs/dbraw/zinc/05/42/69/569054269.db2.gz OCFLZJXDSMDXAV-BPLDGKMQSA-N -1 0 418.559 3.985 50 0 HHAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000006471353 569057951 /nfs/dbraw/zinc/05/79/51/569057951.db2.gz NNYLPAQIABUGCL-UHFFFAOYSA-N -1 0 416.524 3.530 50 0 HHAARM O=C([O-])c1cccc(-c2ccc(C=C3N[C@H](NN=Cc4ccccc4)SC3=O)o2)c1 ZINC000252602165 569060730 /nfs/dbraw/zinc/06/07/30/569060730.db2.gz FGBQCRJLGVYACL-JFTDIIMKSA-N -1 0 419.462 3.756 50 0 HHAARM COc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000004040719 569060797 /nfs/dbraw/zinc/06/07/97/569060797.db2.gz IIRZHSCSYDBRNC-UHFFFAOYSA-N -1 0 404.422 3.827 50 0 biogenic HHAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccnc1Nc1ccc(Cl)cc1 ZINC000089512443 569062143 /nfs/dbraw/zinc/06/21/43/569062143.db2.gz GJJCJPHZYMERKM-UHFFFAOYSA-N -1 0 412.302 3.975 50 0 HHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000006590702 569068663 /nfs/dbraw/zinc/06/86/63/569068663.db2.gz PKQVKQZVQLJVMJ-UHFFFAOYSA-N -1 0 417.512 3.886 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2C)C1 ZINC000064820470 569102651 /nfs/dbraw/zinc/10/26/51/569102651.db2.gz UFDHVISMKBMXSP-KRWDZBQOSA-N -1 0 410.470 3.725 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000006729924 569102750 /nfs/dbraw/zinc/10/27/50/569102750.db2.gz QHOSXGKEASMDSC-AWEZNQCLSA-N -1 0 418.515 3.582 50 0 HHAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000064837333 569105147 /nfs/dbraw/zinc/10/51/47/569105147.db2.gz IEJNGFFLAOZAGE-UHFFFAOYSA-N -1 0 400.456 3.970 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)c1 ZINC000064947024 569129160 /nfs/dbraw/zinc/12/91/60/569129160.db2.gz MQHFCDIHIUYRIC-UHFFFAOYSA-N -1 0 401.488 3.616 50 0 HHAARM O=C([O-])[C@H](NC(=O)CCn1ccc2cc(Br)ccc21)c1ccccc1 ZINC000036360163 569151422 /nfs/dbraw/zinc/15/14/22/569151422.db2.gz XWEPPZZBHRPUAI-GOSISDBHSA-N -1 0 401.260 3.736 50 0 HHAARM COc1cccc(-c2nc(CC(=O)NCC3(CC(=O)[O-])CCCCC3)cs2)c1 ZINC000036360791 569151933 /nfs/dbraw/zinc/15/19/33/569151933.db2.gz KXMICLGNAIMGRA-UHFFFAOYSA-N -1 0 402.516 3.903 50 0 HHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C3CC3)o2)c1 ZINC000065194173 569192641 /nfs/dbraw/zinc/19/26/41/569192641.db2.gz ILVHKRBLQRAYJT-UHFFFAOYSA-N -1 0 414.487 3.573 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1F ZINC000065196284 569194555 /nfs/dbraw/zinc/19/45/55/569194555.db2.gz FZCLWMHKQYIKGC-UHFFFAOYSA-N -1 0 408.520 3.681 50 0 HHAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccc1Br ZINC000036623984 569212744 /nfs/dbraw/zinc/21/27/44/569212744.db2.gz JJAHKVQQCFCQHI-RHSMWYFYSA-N -1 0 424.316 3.825 50 0 HHAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N[C@](C)(C(=O)[O-])C(C)C ZINC000170592092 569240938 /nfs/dbraw/zinc/24/09/38/569240938.db2.gz OCMNHSDFGLDCMR-IBGZPJMESA-N -1 0 411.424 3.666 50 0 HHAARM COC(=O)[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1c1ccsc1 ZINC000170601410 569243216 /nfs/dbraw/zinc/24/32/16/569243216.db2.gz GFRSQZAFYQYSSU-VXGBXAGGSA-N -1 0 400.283 3.789 50 0 HHAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000007505384 569243430 /nfs/dbraw/zinc/24/34/30/569243430.db2.gz XSMMFSSZLFHTLA-ZDUSSCGKSA-N -1 0 407.488 3.805 50 0 HHAARM CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000007551100 569249080 /nfs/dbraw/zinc/24/90/80/569249080.db2.gz UXCBGQQTCXLBMN-INIZCTEOSA-N -1 0 415.273 3.762 50 0 HHAARM C[C@H](Sc1ccc(NC(=O)CCC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013579155 569256367 /nfs/dbraw/zinc/25/63/67/569256367.db2.gz RZHQKPXMWBHQBL-CABCVRRESA-N -1 0 412.511 3.948 50 0 HHAARM Cc1ccnc(-n2cc(S(=O)(=O)[N-]c3ccc(F)cc3C(F)(F)F)cn2)c1 ZINC000089701867 569262677 /nfs/dbraw/zinc/26/26/77/569262677.db2.gz UGEKTPDDWJZCPI-UHFFFAOYSA-N -1 0 400.357 3.534 50 0 HHAARM COc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000016960479 569268990 /nfs/dbraw/zinc/26/89/90/569268990.db2.gz IJYDVPRPDDPQAO-UHFFFAOYSA-N -1 0 417.874 3.797 50 0 HHAARM CCNC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)nc2ccccc21 ZINC000089977500 569270613 /nfs/dbraw/zinc/27/06/13/569270613.db2.gz VOFWMYKWVSBXPI-UHFFFAOYSA-N -1 0 407.854 3.578 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1 ZINC000017050980 569272528 /nfs/dbraw/zinc/27/25/28/569272528.db2.gz ZEJLMYYFFPEBRI-UHFFFAOYSA-N -1 0 403.410 3.721 50 0 HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCCC(=O)[O-])c(C)c2oc1=O ZINC000002096638 569281017 /nfs/dbraw/zinc/28/10/17/569281017.db2.gz NISJYFXYLUHDFR-UHFFFAOYSA-N -1 0 403.475 3.502 50 0 biogenic HHAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002098374 569281119 /nfs/dbraw/zinc/28/11/19/569281119.db2.gz QWTMAMOWTXOKBZ-KSSFIOAISA-N -1 0 403.475 3.518 50 0 biogenic HHAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002107238 569283095 /nfs/dbraw/zinc/28/30/95/569283095.db2.gz WVCRJIXAIPQALC-QGZVFWFLSA-N -1 0 411.454 3.638 50 0 biogenic HHAARM CC(C)NC(=O)CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973789 569322623 /nfs/dbraw/zinc/32/26/23/569322623.db2.gz SVFLZPMKLFRDQE-UHFFFAOYSA-N -1 0 412.353 3.907 50 0 HHAARM COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc(OC)c1O ZINC000253403112 569365919 /nfs/dbraw/zinc/36/59/19/569365919.db2.gz GXSXNKJHXSTFDU-MRXNPFEDSA-N -1 0 420.417 3.787 50 0 biogenic HHAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OCC)cc2CCC1=O ZINC000008840582 571123306 /nfs/dbraw/zinc/12/33/06/571123306.db2.gz GULYUIHVUFKTBA-UHFFFAOYSA-N -1 0 402.516 3.884 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3ccsc3)c2)no1 ZINC000040110427 571168708 /nfs/dbraw/zinc/16/87/08/571168708.db2.gz XMAQFSDKRSLWKR-QGZVFWFLSA-N -1 0 417.512 3.823 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3ccsc3)c2)no1 ZINC000040110429 571168827 /nfs/dbraw/zinc/16/88/27/571168827.db2.gz XMAQFSDKRSLWKR-KRWDZBQOSA-N -1 0 417.512 3.823 50 0 HHAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)NCc1cccs1 ZINC000008978878 571198230 /nfs/dbraw/zinc/19/82/30/571198230.db2.gz PMMPWNJCIFVTGD-UHFFFAOYSA-N -1 0 407.542 3.552 50 0 HHAARM CN1c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2OCC(C)(C)C1=O ZINC000009170035 571233671 /nfs/dbraw/zinc/23/36/71/571233671.db2.gz VAIHAUHUMMZPLB-UHFFFAOYSA-N -1 0 400.909 3.584 50 0 HHAARM Cc1ccc(NC(=O)Cc2c(C(=O)[O-])nnn2-c2cccc(C(F)(F)F)c2)cc1C ZINC000009222794 571238466 /nfs/dbraw/zinc/23/84/66/571238466.db2.gz TWJFJANNLILDAM-UHFFFAOYSA-N -1 0 418.375 3.782 50 0 HHAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000009507455 571263823 /nfs/dbraw/zinc/26/38/23/571263823.db2.gz LESQUDJZBCAGSB-UHFFFAOYSA-N -1 0 416.318 3.758 50 0 HHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000009685075 571279753 /nfs/dbraw/zinc/27/97/53/571279753.db2.gz OXZPWPLAJKERJT-UHFFFAOYSA-N -1 0 417.575 3.940 50 0 HHAARM Cc1cc(C)cc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)c1 ZINC000009761962 571284485 /nfs/dbraw/zinc/28/44/85/571284485.db2.gz YVLWKJQKQPTRQJ-UHFFFAOYSA-N -1 0 409.920 3.799 50 0 HHAARM Cc1ccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)c(C)c1 ZINC000009761961 571284537 /nfs/dbraw/zinc/28/45/37/571284537.db2.gz GWJWLTGMLVQFMU-UHFFFAOYSA-N -1 0 409.920 3.799 50 0 HHAARM CCOc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009829538 571287425 /nfs/dbraw/zinc/28/74/25/571287425.db2.gz KSLMCHLGRSLKHR-UHFFFAOYSA-N -1 0 417.512 3.524 50 0 HHAARM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000537363396 1012833895 /nfs/dbraw/zinc/83/38/95/1012833895.db2.gz NKPQHKZKYUMRQR-KRWDZBQOSA-N -1 0 422.243 3.744 50 0 HHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1 ZINC000045961779 518445936 /nfs/dbraw/zinc/44/59/36/518445936.db2.gz MBUUWTHZSAUWHF-UHFFFAOYSA-N -1 0 406.529 3.768 50 0 HHAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C)cc3C)cc21 ZINC000040454583 519630465 /nfs/dbraw/zinc/63/04/65/519630465.db2.gz LIXFWPXILPLEPA-UHFFFAOYSA-N -1 0 423.332 3.776 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)[nH]n2)cc1 ZINC000032950983 521130173 /nfs/dbraw/zinc/13/01/73/521130173.db2.gz SVKCFBCOHAYIKU-UHFFFAOYSA-N -1 0 420.878 3.515 50 0 HHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000020574938 521384935 /nfs/dbraw/zinc/38/49/35/521384935.db2.gz DXFKBDYIAKVQSR-UHFFFAOYSA-N -1 0 406.382 3.508 50 0 HHAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000032899947 522290539 /nfs/dbraw/zinc/29/05/39/522290539.db2.gz IFDNHUOLRYBVQX-UHFFFAOYSA-N -1 0 405.419 3.928 50 0 HHAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962168 525084743 /nfs/dbraw/zinc/08/47/43/525084743.db2.gz GYFPFFRCJGUGPI-UHFFFAOYSA-N -1 0 418.515 3.965 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000017090755 527657568 /nfs/dbraw/zinc/65/75/68/527657568.db2.gz ATMJZYCOALUMSX-HUUCEWRRSA-N -1 0 416.543 3.905 50 0 HHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(F)cc1F ZINC000012851896 535590196 /nfs/dbraw/zinc/59/01/96/535590196.db2.gz OPIDIYFQPUJPND-GOSISDBHSA-N -1 0 416.380 3.771 50 0 HHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000000644678 557034545 /nfs/dbraw/zinc/03/45/45/557034545.db2.gz LTIXDYFVAMDYBB-UHFFFAOYSA-N -1 0 417.268 3.799 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)nc(C)n1 ZINC000000671454 557049364 /nfs/dbraw/zinc/04/93/64/557049364.db2.gz NXKFJXUBTADLSF-JXMROGBWSA-N -1 0 414.512 3.608 50 0 HHAARM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])c(Br)c3n2)cc1 ZINC000000825527 557093826 /nfs/dbraw/zinc/09/38/26/557093826.db2.gz NBYVCUJOUXRPKE-UHFFFAOYSA-N -1 0 416.153 3.884 50 0 HHAARM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)c1 ZINC000000996215 557137542 /nfs/dbraw/zinc/13/75/42/557137542.db2.gz XHHFJNXTBKICKC-UHFFFAOYSA-N -1 0 418.478 3.991 50 0 HHAARM CCOC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001063450 557165279 /nfs/dbraw/zinc/16/52/79/557165279.db2.gz RSMFFPTULAVZPE-UHFFFAOYSA-N -1 0 424.478 3.916 50 0 HHAARM CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000001160180 557217590 /nfs/dbraw/zinc/21/75/90/557217590.db2.gz STLXUPSEPVAZNK-UHFFFAOYSA-N -1 0 408.863 3.572 50 0 HHAARM CCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)NC1=S ZINC000001161754 557218785 /nfs/dbraw/zinc/21/87/85/557218785.db2.gz QHJTZWTWZNWPJI-YBEGLDIGSA-N -1 0 416.886 3.695 50 0 HHAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001216275 557246066 /nfs/dbraw/zinc/24/60/66/557246066.db2.gz FKDSFMKLXZHBDP-UHFFFAOYSA-N -1 0 410.499 3.827 50 0 HHAARM COC(=O)C(C)(C)[C@@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccco1 ZINC000002376602 557342074 /nfs/dbraw/zinc/34/20/74/557342074.db2.gz NQARFGOSJHMIAE-HUUCEWRRSA-N -1 0 421.243 3.743 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000002757076 557380435 /nfs/dbraw/zinc/38/04/35/557380435.db2.gz UPNCJAGKAHYGAH-FCHUYYIVSA-N -1 0 404.510 3.587 50 0 HHAARM COc1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1OC ZINC000002882937 557420312 /nfs/dbraw/zinc/42/03/12/557420312.db2.gz BYONTZPYNRDFJZ-UHFFFAOYSA-N -1 0 408.454 3.882 50 0 HHAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)c(=O)[n-]2)cc1 ZINC000034763340 557460681 /nfs/dbraw/zinc/46/06/81/557460681.db2.gz WLPWYFZLLOQGDQ-UHFFFAOYSA-N -1 0 424.476 3.811 50 0 HHAARM O=C(CCc1nnc(-c2ccc(C(F)(F)F)cc2)[n-]c1=O)NCc1ccccc1 ZINC000034768126 557462913 /nfs/dbraw/zinc/46/29/13/557462913.db2.gz QUCPOZAONCQFTM-UHFFFAOYSA-N -1 0 402.376 3.512 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c(C)c1 ZINC000004756667 557594198 /nfs/dbraw/zinc/59/41/98/557594198.db2.gz JAVIZQRATKEUJX-MRXNPFEDSA-N -1 0 422.934 3.666 50 0 HHAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000008575371 557795372 /nfs/dbraw/zinc/79/53/72/557795372.db2.gz SOUDHWIBUHPUSE-UHFFFAOYSA-N -1 0 401.875 3.631 50 0 HHAARM CCN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000008715471 557801315 /nfs/dbraw/zinc/80/13/15/557801315.db2.gz UVQXDEYEXQKIKZ-UHFFFAOYSA-N -1 0 402.859 3.980 50 0 HHAARM CCc1nc2sc([C@H](c3ccc(CC)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854379 557840859 /nfs/dbraw/zinc/84/08/59/557840859.db2.gz KALRWPZHUQLMMW-IYOUNJFTSA-N -1 0 400.548 3.820 50 0 HHAARM O=C([O-])c1cccc(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000009467715 557843920 /nfs/dbraw/zinc/84/39/20/557843920.db2.gz SFGGWMFIHPUWJM-HXUWFJFHSA-N -1 0 420.490 3.977 50 0 HHAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C ZINC000010681749 558385870 /nfs/dbraw/zinc/38/58/70/558385870.db2.gz OTXVFYSPTXDDCM-UHFFFAOYSA-N -1 0 422.466 3.966 50 0 HHAARM O=C(Nc1nnc(C2CC2)s1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000021293544 558435134 /nfs/dbraw/zinc/43/51/34/558435134.db2.gz LSHNAMVAWZISDQ-UHFFFAOYSA-N -1 0 406.514 3.530 50 0 HHAARM CCc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000004354682 558440085 /nfs/dbraw/zinc/44/00/85/558440085.db2.gz QQHLVLQXGNQFKS-NDENLUEZSA-N -1 0 420.444 3.681 50 0 HHAARM Cc1ccc(S(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4[O-])cn3)cc2)cc1 ZINC000013148381 558523299 /nfs/dbraw/zinc/52/32/99/558523299.db2.gz XPBNFBDKUZAKOP-UHFFFAOYSA-N -1 0 418.474 3.950 50 0 HHAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 ZINC000013655694 558558861 /nfs/dbraw/zinc/55/88/61/558558861.db2.gz MUYPMCWJNCWCHX-GUSDSWBTSA-N -1 0 408.435 3.616 50 0 HHAARM CCOc1ccc(COc2ccc([C@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1OCC ZINC000013961495 558609179 /nfs/dbraw/zinc/60/91/79/558609179.db2.gz PROCNAZBPOOCPM-XLIONFOSSA-N -1 0 403.500 3.851 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000026640862 558663941 /nfs/dbraw/zinc/66/39/41/558663941.db2.gz TXFOUFDGVNFIGH-FQEVSTJZSA-N -1 0 415.898 3.981 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000028813344 558705096 /nfs/dbraw/zinc/70/50/96/558705096.db2.gz DNUYXHUGHHSBRQ-UHFFFAOYSA-N -1 0 409.554 3.917 50 0 HHAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000016955811 558809946 /nfs/dbraw/zinc/80/99/46/558809946.db2.gz MOCUGJSRQUTEEZ-CQSZACIVSA-N -1 0 418.906 3.675 50 0 HHAARM CCOC(=O)c1c(-c2cccs2)csc1NC=C1C(=O)N=C([S-])NC1=O ZINC000016956698 558810251 /nfs/dbraw/zinc/81/02/51/558810251.db2.gz IAJASUMNJJGBNV-UHFFFAOYSA-N -1 0 407.498 3.732 50 0 HHAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCC3)cc1 ZINC000017081926 558813802 /nfs/dbraw/zinc/81/38/02/558813802.db2.gz WITLPSBAXRFLBZ-UHFFFAOYSA-N -1 0 400.500 3.669 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017082866 558815190 /nfs/dbraw/zinc/81/51/90/558815190.db2.gz KDJSMHNUTKJPSF-GFCCVEGCSA-N -1 0 404.488 3.589 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017082927 558815369 /nfs/dbraw/zinc/81/53/69/558815369.db2.gz IPGQQYQCIHVJOH-HOTGVXAUSA-N -1 0 404.532 3.897 50 0 HHAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017082906 558815379 /nfs/dbraw/zinc/81/53/79/558815379.db2.gz HHIPYHRVBWDGOQ-XBFCOCLRSA-N -1 0 404.532 3.595 50 0 HHAARM Cc1cccc(NC(=O)c2c(NC(=O)COCC(=O)[O-])sc3c2CCCCC3)c1 ZINC000017090661 558819330 /nfs/dbraw/zinc/81/93/30/558819330.db2.gz DXBKLEKWQBXNAL-UHFFFAOYSA-N -1 0 416.499 3.617 50 0 HHAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017090759 558819412 /nfs/dbraw/zinc/81/94/12/558819412.db2.gz ODVHRKNQCBTSEO-FIMMUYGNSA-N -1 0 416.543 3.595 50 0 HHAARM Nc1n[n-]c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n12)CCc1ccccc1-4 ZINC000017117765 558822966 /nfs/dbraw/zinc/82/29/66/558822966.db2.gz BJCUTPWSRJOZES-UHFFFAOYSA-N -1 0 414.856 3.634 50 0 HHAARM C[C@H](CC(=O)N[C@@H](C)CCc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004598503 558834804 /nfs/dbraw/zinc/83/48/04/558834804.db2.gz FYQMIILTOXGPAM-IRXDYDNUSA-N -1 0 413.543 3.562 50 0 HHAARM CCCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000013520187 558835782 /nfs/dbraw/zinc/83/57/82/558835782.db2.gz VANLQPBIMXKNMB-UHFFFAOYSA-N -1 0 402.520 3.636 50 0 HHAARM CCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033078824 558868093 /nfs/dbraw/zinc/86/80/93/558868093.db2.gz ALZAWHJDZLEYPA-UHFFFAOYSA-N -1 0 413.493 3.975 50 0 HHAARM CCSc1nnc(-c2ccccc2NC(=O)Cc2cccc(F)c2F)c(=O)[n-]1 ZINC000055061107 558871298 /nfs/dbraw/zinc/87/12/98/558871298.db2.gz QEQIRTDXTYOFCA-UHFFFAOYSA-N -1 0 402.426 3.816 50 0 HHAARM COc1cc(OC)cc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000071749808 558908927 /nfs/dbraw/zinc/90/89/27/558908927.db2.gz SJELCNBJPSVNLY-UHFFFAOYSA-N -1 0 419.499 3.634 50 0 HHAARM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)cc1OC ZINC000059779037 558939041 /nfs/dbraw/zinc/93/90/41/558939041.db2.gz WGMCYASOIGXLGE-UHFFFAOYSA-N -1 0 416.503 3.722 50 0 HHAARM O=C([O-])c1cc2c(ncc(C(F)(F)F)c2Cl)n1S(=O)(=O)c1ccccc1 ZINC000066054384 558983090 /nfs/dbraw/zinc/98/30/90/558983090.db2.gz RPQKKSQKWREHLG-UHFFFAOYSA-N -1 0 404.753 3.644 50 0 HHAARM CCn1c(CCc2ccccc2[N-]S(=O)(=O)c2c(C)n[nH]c2C)nc2ccccc21 ZINC000033275356 559034984 /nfs/dbraw/zinc/03/49/84/559034984.db2.gz JZUOXRLUDMNKBO-UHFFFAOYSA-N -1 0 423.542 3.982 50 0 HHAARM COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000033399542 559163756 /nfs/dbraw/zinc/16/37/56/559163756.db2.gz LCLYUPKWOMTYLA-NSIKDUERSA-N -1 0 409.294 3.926 50 0 HHAARM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCCCC(=O)[O-] ZINC000004945482 559213930 /nfs/dbraw/zinc/21/39/30/559213930.db2.gz BUWMQDLRMACFBR-UHFFFAOYSA-N -1 0 414.483 3.783 50 0 HHAARM Cc1nnc2ccc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)cc3)nn12 ZINC000005150862 559253715 /nfs/dbraw/zinc/25/37/15/559253715.db2.gz LNYZHSOFJULTMW-UHFFFAOYSA-N -1 0 405.892 3.615 50 0 HHAARM COC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccccc1Cl ZINC000033914860 559292333 /nfs/dbraw/zinc/29/23/33/559292333.db2.gz ORGBJWNQTJUKDV-SFHVURJKSA-N -1 0 414.845 3.752 50 0 HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000974225 560180203 /nfs/dbraw/zinc/18/02/03/560180203.db2.gz QEPKJDWRLSGDDS-HUUCEWRRSA-N -1 0 410.392 3.701 50 0 biogenic,in-vitro HHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Br)O[C@H](C)C2 ZINC000017520623 560717738 /nfs/dbraw/zinc/71/77/38/560717738.db2.gz AMGFQKNFLAYLHP-LLVKDONJSA-N -1 0 412.305 3.972 50 0 HHAARM COc1ccc2nc(-c3cccc([N-]S(=O)(=O)c4ccc(Cl)s4)c3)cn2n1 ZINC000011693552 560773673 /nfs/dbraw/zinc/77/36/73/560773673.db2.gz ZOVSODSJMQUYHS-UHFFFAOYSA-N -1 0 420.903 3.921 50 0 HHAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101456095 560795331 /nfs/dbraw/zinc/79/53/31/560795331.db2.gz APPRWOYPIYLXIJ-OAHLLOKOSA-N -1 0 420.922 3.763 50 0 HHAARM Cn1c(=O)c(-c2nc(-c3ccc(Br)cc3)no2)c([O-])c2cc(F)ccc21 ZINC000101725114 560799015 /nfs/dbraw/zinc/79/90/15/560799015.db2.gz DXJMCGYPYPWGSJ-UHFFFAOYSA-N -1 0 416.206 3.863 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3cc(F)cc(F)c3)c([O-])c3cccnc32)cc1 ZINC000101723405 560799217 /nfs/dbraw/zinc/79/92/17/560799217.db2.gz RAXRASHATCKWCK-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)N[C@H](C)c3ccccc3)c([O-])c3cccnc32)cc1 ZINC000101723280 560799247 /nfs/dbraw/zinc/79/92/47/560799247.db2.gz GCPFVQUUPHENLS-OAHLLOKOSA-N -1 0 415.449 3.591 50 0 HHAARM Cc1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)s1 ZINC000101766384 560799673 /nfs/dbraw/zinc/79/96/73/560799673.db2.gz LOWBULKGKNSNRQ-MRXNPFEDSA-N -1 0 413.524 3.517 50 0 HHAARM CC[C@H](C(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1cccc(C)c1)c1ccccc1 ZINC000101802293 560802130 /nfs/dbraw/zinc/80/21/30/560802130.db2.gz ZFNXIYKSHPIQKY-FQEVSTJZSA-N -1 0 415.497 3.761 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000101835507 560803277 /nfs/dbraw/zinc/80/32/77/560803277.db2.gz KPJLLHSFIWIDPQ-QGZVFWFLSA-N -1 0 412.808 3.911 50 0 HHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1Br ZINC000013345804 560804822 /nfs/dbraw/zinc/80/48/22/560804822.db2.gz IJYLFUCLKMBTFB-UHFFFAOYSA-N -1 0 408.632 3.741 50 0 HHAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)c1 ZINC000102810717 560829336 /nfs/dbraw/zinc/82/93/36/560829336.db2.gz HLPJQGAKUYOPQS-DVQDXYAYSA-N -1 0 416.437 3.793 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccccc1Cl ZINC000102901346 560834942 /nfs/dbraw/zinc/83/49/42/560834942.db2.gz PJTQYGSITDPOFQ-QGZVFWFLSA-N -1 0 424.844 3.781 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1 ZINC000046053384 568425370 /nfs/dbraw/zinc/42/53/70/568425370.db2.gz NXCUZWADSLDULA-UHFFFAOYSA-N -1 0 410.470 3.725 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])C1 ZINC000046053323 568425396 /nfs/dbraw/zinc/42/53/96/568425396.db2.gz XSNUXUCEPVTWCW-KRWDZBQOSA-N -1 0 410.470 3.725 50 0 HHAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3nc4c(s3)CCCC4)cs2)n1 ZINC000049029446 568445672 /nfs/dbraw/zinc/44/56/72/568445672.db2.gz GPXVCNHUQOAPHB-UHFFFAOYSA-N -1 0 400.533 3.810 50 0 HHAARM O=C(NCc1ccccc1F)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409618 568449656 /nfs/dbraw/zinc/44/96/56/568449656.db2.gz UFQZDLRZOPTEMC-UHFFFAOYSA-N -1 0 408.454 3.886 50 0 HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N3)c1 ZINC000049543239 568451086 /nfs/dbraw/zinc/45/10/86/568451086.db2.gz VQEQIPDTOOTNLG-MRXNPFEDSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccccc1 ZINC000024863112 568473464 /nfs/dbraw/zinc/47/34/64/568473464.db2.gz XEGBQQRJTMTEEG-BQYQJAHWSA-N -1 0 410.207 3.977 50 0 HHAARM COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C/C(=O)[O-] ZINC000022077317 568473650 /nfs/dbraw/zinc/47/36/50/568473650.db2.gz ZDMGFNSUIRVZGF-RMKNXTFCSA-N -1 0 406.232 3.573 50 0 HHAARM COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000095425517 568607975 /nfs/dbraw/zinc/60/79/75/568607975.db2.gz OXECFSCRXKAECR-UHFFFAOYSA-N -1 0 416.861 3.538 50 0 HHAARM CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc21 ZINC000020516076 568623775 /nfs/dbraw/zinc/62/37/75/568623775.db2.gz REYHLRLBPNQCKF-NSHDSACASA-N -1 0 414.405 3.640 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccs3)C2)c1 ZINC000095532097 568635353 /nfs/dbraw/zinc/63/53/53/568635353.db2.gz RTUXVHXJMOABPH-QGZVFWFLSA-N -1 0 402.472 3.698 50 0 HHAARM O=C([O-])[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)c1ccccc1 ZINC000020763695 568642978 /nfs/dbraw/zinc/64/29/78/568642978.db2.gz PKHINCNWLNMRRM-GOSISDBHSA-N -1 0 401.260 3.736 50 0 biogenic HHAARM O=C(CCc1ccc(Cl)cc1Cl)N[C@H](c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000225584260 568654583 /nfs/dbraw/zinc/65/45/83/568654583.db2.gz HVXBLIXOXAUDHJ-INIZCTEOSA-N -1 0 412.227 3.623 50 0 HHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)s2)on1 ZINC000020994832 568656464 /nfs/dbraw/zinc/65/64/64/568656464.db2.gz QSNPCYUPZGHOKS-UHFFFAOYSA-N -1 0 420.468 3.583 50 0 HHAARM COc1cc(OC)cc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000225780491 568674235 /nfs/dbraw/zinc/67/42/35/568674235.db2.gz IBCAAQKIUCRROF-HXUWFJFHSA-N -1 0 414.433 3.776 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000012422067 568721235 /nfs/dbraw/zinc/72/12/35/568721235.db2.gz JUUJDWOSCQKUAD-IBGZPJMESA-N -1 0 408.845 3.826 50 0 HHAARM O=C([O-])c1cccc([C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000685944898 568722795 /nfs/dbraw/zinc/72/27/95/568722795.db2.gz GVSPGERDQPJYGM-JOCHJYFZSA-N -1 0 403.434 3.957 50 0 HHAARM O=C([O-])C[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)c1ccccc1 ZINC000237995973 568725973 /nfs/dbraw/zinc/72/59/73/568725973.db2.gz MFFBUTUBJVRAAF-AWEZNQCLSA-N -1 0 414.259 3.785 50 0 HHAARM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cc(Cl)cnc3N)cc2F)n1 ZINC000241930350 568732050 /nfs/dbraw/zinc/73/20/50/568732050.db2.gz UHWWIHIRLMXDDN-UHFFFAOYSA-N -1 0 414.871 3.814 50 0 HHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)cc1 ZINC000096379828 568741595 /nfs/dbraw/zinc/74/15/95/568741595.db2.gz SOSIOCVFPPSTTG-UHFFFAOYSA-N -1 0 400.460 3.562 50 0 HHAARM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)c1 ZINC000086056964 568753716 /nfs/dbraw/zinc/75/37/16/568753716.db2.gz BGHZFACDNCDBET-QGZVFWFLSA-N -1 0 407.495 3.935 50 0 HHAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000021883351 568758092 /nfs/dbraw/zinc/75/80/92/568758092.db2.gz JJDCLDXXRIXEKK-UHFFFAOYSA-N -1 0 417.531 3.742 50 0 HHAARM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578109 568770081 /nfs/dbraw/zinc/77/00/81/568770081.db2.gz ILKLQSPMHNTUMB-IBGZPJMESA-N -1 0 413.591 3.909 50 0 HHAARM [O-]c1c([C@@H](c2ccco2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022610105 568771866 /nfs/dbraw/zinc/77/18/66/568771866.db2.gz BJYNNRHLXGGCAD-MRXNPFEDSA-N -1 0 415.906 3.654 50 0 HHAARM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1OCCOc1ccccc1 ZINC000005938183 568831183 /nfs/dbraw/zinc/83/11/83/568831183.db2.gz ZGNQJSLYAVPGNU-UHFFFAOYSA-N -1 0 411.479 3.572 50 0 HHAARM CCCOc1ccc(C(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc1OCCC ZINC000005950392 568831689 /nfs/dbraw/zinc/83/16/89/568831689.db2.gz XRDXWHQDXHGMIS-VFNWGFHPSA-N -1 0 407.507 3.843 50 0 HHAARM Cc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000002970905 568831791 /nfs/dbraw/zinc/83/17/91/568831791.db2.gz AZXPXHXFWDYIIA-UHFFFAOYSA-N -1 0 405.479 3.565 50 0 HHAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 ZINC000057434708 568836728 /nfs/dbraw/zinc/83/67/28/568836728.db2.gz UNPIACCNXXJNHJ-OQLLNIDSSA-N -1 0 416.842 3.713 50 0 HHAARM CCCCCNC(=O)CCn1c(=O)c2cc(OCC)c(OCC)cc2[n-]c1=S ZINC000003010321 568838057 /nfs/dbraw/zinc/83/80/57/568838057.db2.gz MNFZBLZZRTUWMK-UHFFFAOYSA-N -1 0 407.536 3.553 50 0 HHAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000012520028 568840973 /nfs/dbraw/zinc/84/09/73/568840973.db2.gz HTIYJSUJHSZAKB-UHFFFAOYSA-N -1 0 416.684 3.788 50 0 HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1cc(F)cc(F)c1 ZINC000012560912 568858342 /nfs/dbraw/zinc/85/83/42/568858342.db2.gz DWUPNWGTQBYLCR-UHFFFAOYSA-N -1 0 403.332 3.970 50 0 HHAARM CCC(=O)NC([N-]c1sc2c(c1C(=O)OC)CCC2)(C(F)(F)F)C(F)(F)F ZINC000003671511 568867548 /nfs/dbraw/zinc/86/75/48/568867548.db2.gz KFSBSKDBWVRQCU-UHFFFAOYSA-N -1 0 418.359 3.782 50 0 HHAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@H](c1ccc3c(c1)OCO3)C2 ZINC000299755643 568872748 /nfs/dbraw/zinc/87/27/48/568872748.db2.gz GJZAXDKJZNSOLF-FQEVSTJZSA-N -1 0 407.447 3.962 50 0 HHAARM CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1 ZINC000003635199 568921572 /nfs/dbraw/zinc/92/15/72/568921572.db2.gz MWBHOWLAZNJVJF-YKUCYRFJSA-N -1 0 423.468 3.884 50 0 HHAARM CSc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)N1CCCCCC1 ZINC000016624511 568928682 /nfs/dbraw/zinc/92/86/82/568928682.db2.gz CMFRPJABWSLIHU-UHFFFAOYSA-N -1 0 405.545 3.621 50 0 HHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000031722487 568929813 /nfs/dbraw/zinc/92/98/13/568929813.db2.gz JWCREFWCTMTVNO-UHFFFAOYSA-N -1 0 422.304 3.503 50 0 HHAARM CN1C(=O)N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162481 568947544 /nfs/dbraw/zinc/94/75/44/568947544.db2.gz HKYOQLBETOAUGB-IOASZLSFSA-N -1 0 418.824 3.848 50 0 HHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCc3sccc3C2)cc1 ZINC000084507050 568949945 /nfs/dbraw/zinc/94/99/45/568949945.db2.gz RJBJMXMIDNFOKA-UHFFFAOYSA-N -1 0 414.508 3.810 50 0 HHAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)cc1 ZINC000004317298 568962666 /nfs/dbraw/zinc/96/26/66/568962666.db2.gz RIMIMVXKZBPEDI-UHFFFAOYSA-N -1 0 416.890 3.561 50 0 HHAARM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008195575 568982359 /nfs/dbraw/zinc/98/23/59/568982359.db2.gz PPBJGVZKNMQFQT-UHFFFAOYSA-N -1 0 413.524 3.614 50 0 HHAARM CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 ZINC000035507673 569040985 /nfs/dbraw/zinc/04/09/85/569040985.db2.gz FMYMIJHMORLRQV-KRWDZBQOSA-N -1 0 409.833 3.557 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239038485 569053958 /nfs/dbraw/zinc/05/39/58/569053958.db2.gz DGUFXYSKIBSHAD-VHDGCEQUSA-N -1 0 416.543 3.761 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239164783 569053997 /nfs/dbraw/zinc/05/39/97/569053997.db2.gz MXASBNLPNWRENT-JHJVBQTASA-N -1 0 404.532 3.604 50 0 HHAARM O=C(CCn1ccc2cc(Br)ccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245256777 569055547 /nfs/dbraw/zinc/05/55/47/569055547.db2.gz SPQRHRDJNDPTTO-HDJSIYSDSA-N -1 0 407.308 3.801 50 0 HHAARM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1ccc2c(c1)COC2 ZINC000064489037 569064395 /nfs/dbraw/zinc/06/43/95/569064395.db2.gz VIPVFIWGEUVTDY-UHFFFAOYSA-N -1 0 418.471 3.971 50 0 HHAARM COc1cccc(N2CCN(c3ccc(NC(=O)CC(C)C)c(C(=O)[O-])c3)CC2)c1 ZINC000064589781 569069063 /nfs/dbraw/zinc/06/90/63/569069063.db2.gz UMGYMBXZOKVPND-UHFFFAOYSA-N -1 0 411.502 3.705 50 0 HHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)[n-]c1=O ZINC000064774702 569093393 /nfs/dbraw/zinc/09/33/93/569093393.db2.gz BRJZGYPFQMETLT-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)c1 ZINC000064837396 569104392 /nfs/dbraw/zinc/10/43/92/569104392.db2.gz LMRYAOJGMVIRDI-UHFFFAOYSA-N -1 0 418.471 3.785 50 0 HHAARM CC(=O)Nc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)cc1 ZINC000065150495 569184855 /nfs/dbraw/zinc/18/48/55/569184855.db2.gz GFVSDTRKCMAMBJ-JTQLQIEISA-N -1 0 411.483 3.631 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C)nn21 ZINC000065183943 569191069 /nfs/dbraw/zinc/19/10/69/569191069.db2.gz ANRQOMDVJINQOT-UHFFFAOYSA-N -1 0 400.913 3.685 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccccc3SC)c(C)n2C)o1 ZINC000065186534 569192066 /nfs/dbraw/zinc/19/20/66/569192066.db2.gz WTOZHAWOTYLCSJ-UHFFFAOYSA-N -1 0 406.533 3.777 50 0 HHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)cc2C1 ZINC000065196178 569194479 /nfs/dbraw/zinc/19/44/79/569194479.db2.gz ICMZRUJXTHRXRN-UHFFFAOYSA-N -1 0 414.936 3.506 50 0 HHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000036575242 569201038 /nfs/dbraw/zinc/20/10/38/569201038.db2.gz BLYUQLROWDCGGC-LJQANCHMSA-N -1 0 423.469 3.785 50 0 HHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)c1 ZINC000065246482 569205544 /nfs/dbraw/zinc/20/55/44/569205544.db2.gz SDAUGXUZMYNQSQ-UHFFFAOYSA-N -1 0 417.443 3.575 50 0 HHAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246447 569205572 /nfs/dbraw/zinc/20/55/72/569205572.db2.gz ZQURLZVZFDGPRV-UHFFFAOYSA-N -1 0 417.443 3.559 50 0 HHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc(F)c(Cl)c2)c3[O-])c1 ZINC000065250056 569206022 /nfs/dbraw/zinc/20/60/22/569206022.db2.gz YVHHPYPPKQWTDA-UHFFFAOYSA-N -1 0 412.808 3.773 50 0 HHAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1Cl ZINC000065250062 569206041 /nfs/dbraw/zinc/20/60/41/569206041.db2.gz BYPYGOMIESMDNH-UHFFFAOYSA-N -1 0 424.844 3.642 50 0 HHAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c[nH]nc1-c1cc(F)c(Cl)cc1Cl ZINC000170610544 569245274 /nfs/dbraw/zinc/24/52/74/569245274.db2.gz CFXGBGSGXMXEDZ-UHFFFAOYSA-N -1 0 418.281 3.674 50 0 HHAARM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1ccnc(-c2cncs2)n1 ZINC000170617487 569248098 /nfs/dbraw/zinc/24/80/98/569248098.db2.gz BYMGXCVUJRPPGQ-UHFFFAOYSA-N -1 0 400.407 3.561 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc(C)c3)C2)cc1OC ZINC000089669331 569262248 /nfs/dbraw/zinc/26/22/48/569262248.db2.gz NFOCOEPCXIZWQL-LJQANCHMSA-N -1 0 410.470 3.945 50 0 HHAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002097080 569281012 /nfs/dbraw/zinc/28/10/12/569281012.db2.gz NLMPUGILDMHFAV-VFNWGFHPSA-N -1 0 423.465 3.763 50 0 biogenic HHAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc1c2C ZINC000002100423 569281391 /nfs/dbraw/zinc/28/13/91/569281391.db2.gz NSCPCSMEWKVXAJ-HXUWFJFHSA-N -1 0 419.433 3.949 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002102390 569281451 /nfs/dbraw/zinc/28/14/51/569281451.db2.gz FDQDRSHFRVLFJO-YJBOKZPZSA-N -1 0 417.502 3.827 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002102294 569281521 /nfs/dbraw/zinc/28/15/21/569281521.db2.gz HDDFDJKPGAMYMD-QFIPXVFZSA-N -1 0 423.465 3.765 50 0 biogenic HHAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002103701 569281772 /nfs/dbraw/zinc/28/17/72/569281772.db2.gz YNUWMVJULJVBGL-SFHVURJKSA-N -1 0 413.470 3.931 50 0 biogenic HHAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002104306 569282073 /nfs/dbraw/zinc/28/20/73/569282073.db2.gz RMDAQXDOHQXHSM-KRWDZBQOSA-N -1 0 411.454 3.638 50 0 biogenic HHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)[O-])occ3-c1ccccc1 ZINC000002104930 569282152 /nfs/dbraw/zinc/28/21/52/569282152.db2.gz MSVIUWRTHWZQBR-ZDUSSCGKSA-N -1 0 405.406 3.646 50 0 biogenic HHAARM CC(C)(C)C(=O)[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)Nc1cc(N)ccc1Cl ZINC000000642126 569287720 /nfs/dbraw/zinc/28/77/20/569287720.db2.gz XLTGMNNJLKNJLD-INIZCTEOSA-N -1 0 404.850 3.622 50 0 HHAARM COc1ccc(-c2c(C(=O)[O-])cc(O)c3c2cc(OC)c(OC)c3OC)cc1OC ZINC000001672460 569287928 /nfs/dbraw/zinc/28/79/28/569287928.db2.gz GFELIWYJKIFMIG-UHFFFAOYSA-N -1 0 414.410 3.954 50 0 HHAARM Cc1ccc(C[C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)C(=O)[O-])cc1 ZINC000170672592 569297814 /nfs/dbraw/zinc/29/78/14/569297814.db2.gz ALBSZMCWUVIVSI-HNNXBMFYSA-N -1 0 412.467 3.575 50 0 HHAARM O=C([O-])c1cn(-c2cccc(Br)c2)c2c1NC(=O)C[C@@H]2C(F)(F)F ZINC000066089652 569314439 /nfs/dbraw/zinc/31/44/39/569314439.db2.gz OARJKBKXQYSBKU-JTQLQIEISA-N -1 0 403.154 3.926 50 0 HHAARM COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)[O-])CCCC4)cc1 ZINC000002271172 569326580 /nfs/dbraw/zinc/32/65/80/569326580.db2.gz UYUAGENVVRXKRV-UHFFFAOYSA-N -1 0 402.497 3.511 50 0 HHAARM COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc(OC)c1O ZINC000253403110 569365696 /nfs/dbraw/zinc/36/56/96/569365696.db2.gz GXSXNKJHXSTFDU-INIZCTEOSA-N -1 0 420.417 3.787 50 0 biogenic HHAARM CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012658804 569402478 /nfs/dbraw/zinc/40/24/78/569402478.db2.gz NMRMMCZURGCYED-RCYKZMNBSA-N -1 0 403.519 3.727 50 0 biogenic HHAARM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@H]1c1ccccc1 ZINC000013109409 569409291 /nfs/dbraw/zinc/40/92/91/569409291.db2.gz XYOWVOQYORCUKY-CKEIUWERSA-N -1 0 414.474 3.701 50 0 HHAARM CC(=O)c1cccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013348641 569411025 /nfs/dbraw/zinc/41/10/25/569411025.db2.gz OMVKUBQFLIUGIP-UHFFFAOYSA-N -1 0 404.473 3.514 50 0 HHAARM COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000000722405 571041300 /nfs/dbraw/zinc/04/13/00/571041300.db2.gz TZOKKEUOLVUPAR-GFCCVEGCSA-N -1 0 416.499 3.937 50 0 HHAARM Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc([O-])c(C)c2=O)cc1 ZINC000008590373 571085174 /nfs/dbraw/zinc/08/51/74/571085174.db2.gz JPRUZVKHSMNBIP-UHFFFAOYSA-N -1 0 409.511 3.903 50 0 HHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)n1C ZINC000008605014 571091456 /nfs/dbraw/zinc/09/14/56/571091456.db2.gz PXPAAYJFLJZHKQ-UHFFFAOYSA-N -1 0 421.538 3.906 50 0 HHAARM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc2s1 ZINC000040082750 571156513 /nfs/dbraw/zinc/15/65/13/571156513.db2.gz JSLRIBLYPBNOGQ-UHFFFAOYSA-N -1 0 421.496 3.896 50 0 HHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000009002278 571209816 /nfs/dbraw/zinc/20/98/16/571209816.db2.gz HONOBMZXQMENDV-UHFFFAOYSA-N -1 0 403.481 3.915 50 0 HHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000009173614 571234336 /nfs/dbraw/zinc/23/43/36/571234336.db2.gz XGAFYWCFQZBLJK-UHFFFAOYSA-N -1 0 404.488 3.552 50 0 HHAARM CCOC(=O)[C@H](CC)Sc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000070635156 571270428 /nfs/dbraw/zinc/27/04/28/571270428.db2.gz GGNPEDFMNITUKO-AWEZNQCLSA-N -1 0 418.500 3.879 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CC2)c1 ZINC000009646037 571276478 /nfs/dbraw/zinc/27/64/78/571276478.db2.gz RNWOUENLWGOVPS-GFCCVEGCSA-N -1 0 408.907 3.678 50 0 HHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 ZINC000009684514 571279458 /nfs/dbraw/zinc/27/94/58/571279458.db2.gz JEEQBJHOJQNYBV-UHFFFAOYSA-N -1 0 403.548 3.929 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccccc3C)cs2)cc1 ZINC000009828580 571286839 /nfs/dbraw/zinc/28/68/39/571286839.db2.gz UOGVHDKQUXOILB-UHFFFAOYSA-N -1 0 401.513 3.742 50 0 HHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cnc2ccccc2n1 ZINC000071846811 571303388 /nfs/dbraw/zinc/30/33/88/571303388.db2.gz LEKXCDMYYALJKI-UHFFFAOYSA-N -1 0 404.451 3.683 50 0 HHAARM CC(C)CN(CC(C)C)c1ncc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000035397508 571316671 /nfs/dbraw/zinc/31/66/71/571316671.db2.gz JXOADFYVPYRDBB-UHFFFAOYSA-N -1 0 423.510 3.838 50 0 HHAARM COc1cc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1OC ZINC000004949070 960631701 /nfs/dbraw/zinc/63/17/01/960631701.db2.gz TZACTJGMRDIQOC-OQLLNIDSSA-N -1 0 420.465 3.945 50 0 HHAARM O=S(=O)(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012605661 962300277 /nfs/dbraw/zinc/30/02/77/962300277.db2.gz RHGLCOHMZQWAMR-FOCLMDBBSA-N -1 0 414.508 3.900 50 0 HHAARM Cc1csc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])n1 ZINC000044321367 967193460 /nfs/dbraw/zinc/19/34/60/967193460.db2.gz USYDGGCBXOHSGH-IBGZPJMESA-N -1 0 408.479 3.986 50 0 HHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(/C=C\c2ccccn2)c1 ZINC000096930703 969057123 /nfs/dbraw/zinc/05/71/23/969057123.db2.gz DLTCFGQNYSPEAJ-HJWRWDBZSA-N -1 0 400.481 3.901 50 0 HHAARM CCOc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Cl)c1O ZINC000097993534 969182784 /nfs/dbraw/zinc/18/27/84/969182784.db2.gz UDPINHRVERRFPF-GHXNOFRVSA-N -1 0 412.829 3.797 50 0 HHAARM O=[N+]([O-])c1cc(C=Nc2cc(S(=O)(=O)N3CCCCC3)ccc2[O-])ccc1Cl ZINC000254752644 970578512 /nfs/dbraw/zinc/57/85/12/970578512.db2.gz LVVUJKJENVCOBE-UHFFFAOYSA-N -1 0 423.878 3.879 50 0 HHAARM [O-]c1c([C@@H](c2cccc(F)c2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022609574 132475053 /nfs/dbraw/zinc/47/50/53/132475053.db2.gz FPTSIVNLXCZOGP-GOSISDBHSA-N -1 0 409.490 3.547 50 0 HHAARM CC(=O)Nc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260778 132782063 /nfs/dbraw/zinc/78/20/63/132782063.db2.gz SNQAQIGWNIUUQJ-UHFFFAOYSA-N -1 0 418.497 3.835 50 0 HHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)c(Br)cc2C[C@@H]1C ZINC000040450724 519638762 /nfs/dbraw/zinc/63/87/62/519638762.db2.gz XTMVRXKERYMHQJ-LBPRGKRZSA-N -1 0 423.332 3.856 50 0 HHAARM COc1ccc(Br)cc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000009243724 536639330 /nfs/dbraw/zinc/63/93/30/536639330.db2.gz OISPULIXKKTGRZ-UHFFFAOYSA-N -1 0 421.291 3.605 50 0 HHAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Cl)c1OC ZINC000004705128 536816643 /nfs/dbraw/zinc/81/66/43/536816643.db2.gz YNEARUGGELXGLL-UHFFFAOYSA-N -1 0 406.866 3.504 50 0 HHAARM Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000000823267 557092886 /nfs/dbraw/zinc/09/28/86/557092886.db2.gz BSANYHAHOLTZCL-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000000917639 557117782 /nfs/dbraw/zinc/11/77/82/557117782.db2.gz LSJWEVQFMYXHBX-UHFFFAOYSA-N -1 0 410.499 3.547 50 0 HHAARM Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000953555 557125471 /nfs/dbraw/zinc/12/54/71/557125471.db2.gz KRUVZJXWRXSMFO-FQEVSTJZSA-N -1 0 411.479 3.762 50 0 HHAARM COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)[O-])c(OC)c1 ZINC000001137652 557202019 /nfs/dbraw/zinc/20/20/19/557202019.db2.gz HNIUEZVAIMRSMQ-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000001151617 557211371 /nfs/dbraw/zinc/21/13/71/557211371.db2.gz IXMZGTMVDPHEFD-UHFFFAOYSA-N -1 0 404.422 3.827 50 0 HHAARM Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000001162803 557219334 /nfs/dbraw/zinc/21/93/34/557219334.db2.gz ZRPXIFYLJILUPP-UHFFFAOYSA-N -1 0 404.422 3.963 50 0 HHAARM CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000002196273 557325723 /nfs/dbraw/zinc/32/57/23/557325723.db2.gz PFATWZFJOGDFJM-UHFFFAOYSA-N -1 0 418.405 3.815 50 0 HHAARM CC(C)(C)OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002555079 557355960 /nfs/dbraw/zinc/35/59/60/557355960.db2.gz FODJWPHPWBKDON-LJQANCHMSA-N -1 0 411.454 3.710 50 0 HHAARM CCCCOC(=O)c1c(N)n(-c2ccc(C(=O)[O-])cc2)c2nc3ccccc3nc21 ZINC000003000069 557439853 /nfs/dbraw/zinc/43/98/53/557439853.db2.gz HEQNREOFNBEFBJ-UHFFFAOYSA-N -1 0 404.426 3.811 50 0 HHAARM O=C([O-])c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004324338 557541673 /nfs/dbraw/zinc/54/16/73/557541673.db2.gz PGUCUVQQVZYPJB-UHFFFAOYSA-N -1 0 400.478 3.932 50 0 HHAARM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000004411728 557552801 /nfs/dbraw/zinc/55/28/01/557552801.db2.gz KQDZPCWIFLSWTB-SFHVURJKSA-N -1 0 415.471 3.580 50 0 HHAARM COc1cc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(C(=O)[O-])cc1OC ZINC000004678888 557580089 /nfs/dbraw/zinc/58/00/89/557580089.db2.gz GABWOONYRPOYNR-UHFFFAOYSA-N -1 0 400.431 3.639 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)n1 ZINC000005497418 557657940 /nfs/dbraw/zinc/65/79/40/557657940.db2.gz JJYSAJDAAKYLAQ-UHFFFAOYSA-N -1 0 413.528 3.703 50 0 HHAARM CC1(C)[C@H]2CC[C@]1(S(=O)(=O)[N-]c1ncccc1OCc1ccccc1)C(=O)C2 ZINC000006349494 557699870 /nfs/dbraw/zinc/69/98/70/557699870.db2.gz LPDWDSNRRKEFEG-KKSFZXQISA-N -1 0 400.500 3.550 50 0 HHAARM CCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000007361576 557739674 /nfs/dbraw/zinc/73/96/74/557739674.db2.gz GSSGEDITSKSQOB-UHFFFAOYSA-N -1 0 417.512 3.985 50 0 HHAARM Cc1c(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)nn1C ZINC000002778089 557761134 /nfs/dbraw/zinc/76/11/34/557761134.db2.gz KFFALMGNZUAUGX-UHFFFAOYSA-N -1 0 419.938 3.505 50 0 HHAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)C[C@@H](C)O1 ZINC000022851786 557839521 /nfs/dbraw/zinc/83/95/21/557839521.db2.gz QQQJVYRIRIPWQN-CPUCHLNUSA-N -1 0 410.499 3.955 50 0 HHAARM CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854292 557840204 /nfs/dbraw/zinc/84/02/04/557840204.db2.gz VZRJYVKCLZGNOA-AWEZNQCLSA-N -1 0 413.330 3.787 50 0 HHAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854330 557840886 /nfs/dbraw/zinc/84/08/86/557840886.db2.gz XJSQNSJLASWBQM-BFQNTYOBSA-N -1 0 406.939 3.911 50 0 HHAARM C[C@@H](SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)C(=O)Nc1ccc(Cl)cc1 ZINC000009763630 557849620 /nfs/dbraw/zinc/84/96/20/557849620.db2.gz KYALURAKTUIPDM-GFCCVEGCSA-N -1 0 415.902 3.839 50 0 HHAARM COc1ccc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)[n-]n3c2=O)cc1 ZINC000012390888 558396964 /nfs/dbraw/zinc/39/69/64/558396964.db2.gz GHHZXGJLZOLLFI-UHFFFAOYSA-N -1 0 416.481 3.886 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1C(=O)[O-] ZINC000013279010 558528598 /nfs/dbraw/zinc/52/85/98/558528598.db2.gz ZBVJXBDUYGGKGO-UHFFFAOYSA-N -1 0 403.456 3.926 50 0 HHAARM CC1(C)Cc2c(sc3nc(SCC(=O)[O-])n(C4CCCCC4)c(=O)c32)CO1 ZINC000013424133 558532349 /nfs/dbraw/zinc/53/23/49/558532349.db2.gz QJOAPZCXAIMUFM-UHFFFAOYSA-N -1 0 408.545 3.991 50 0 HHAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000024772733 558612077 /nfs/dbraw/zinc/61/20/77/558612077.db2.gz RLJKGMVARIJYRG-UHFFFAOYSA-N -1 0 421.526 3.840 50 0 HHAARM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)N1 ZINC000014011271 558613580 /nfs/dbraw/zinc/61/35/80/558613580.db2.gz TYDQYRUAHAVNGH-ZSOIEALJSA-N -1 0 407.651 3.862 50 0 HHAARM Cc1cccc2sc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccco4)C3=O)c(Cl)c21 ZINC000024834134 558615738 /nfs/dbraw/zinc/61/57/38/558615738.db2.gz XRDOGSBYAMWOPT-SFHVURJKSA-N -1 0 403.847 3.568 50 0 HHAARM C[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccc(Br)cc1 ZINC000025050111 558628499 /nfs/dbraw/zinc/62/84/99/558628499.db2.gz NGECBCXJZATONZ-NSHDSACASA-N -1 0 418.316 3.699 50 0 HHAARM Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004521952 558652770 /nfs/dbraw/zinc/65/27/70/558652770.db2.gz NPDDPEWNXUMDNZ-UHFFFAOYSA-N -1 0 408.526 3.658 50 0 HHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000028513807 558701851 /nfs/dbraw/zinc/70/18/51/558701851.db2.gz VVUPQBTYIDWZSI-GFCCVEGCSA-N -1 0 418.462 3.963 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc(-c3cccs3)nc2C)c1 ZINC000028813556 558704964 /nfs/dbraw/zinc/70/49/64/558704964.db2.gz LVCQCNWMVUSADM-UHFFFAOYSA-N -1 0 408.526 3.932 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1F ZINC000015797332 558753734 /nfs/dbraw/zinc/75/37/34/558753734.db2.gz DJGKXTBGNPPUMA-PBHICJAKSA-N -1 0 420.506 3.944 50 0 HHAARM COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000016777137 558806363 /nfs/dbraw/zinc/80/63/63/558806363.db2.gz NKNRLCDTOHQSHW-UHFFFAOYSA-N -1 0 402.863 3.637 50 0 HHAARM CC(C)(C)OC(=O)Nc1ccccc1C(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038138683 558810992 /nfs/dbraw/zinc/81/09/92/558810992.db2.gz DGUCIMGIPXELHD-AWEZNQCLSA-N -1 0 408.451 3.584 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017082929 558815394 /nfs/dbraw/zinc/81/53/94/558815394.db2.gz IPGQQYQCIHVJOH-JKSUJKDBSA-N -1 0 404.532 3.897 50 0 HHAARM C[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017089963 558818421 /nfs/dbraw/zinc/81/84/21/558818421.db2.gz CPXSZJQCVQJXIX-AWEZNQCLSA-N -1 0 414.527 3.996 50 0 HHAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017089990 558818436 /nfs/dbraw/zinc/81/84/36/558818436.db2.gz QQVDVGFWZJLTHU-CQSZACIVSA-N -1 0 414.527 3.996 50 0 HHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000017091532 558820118 /nfs/dbraw/zinc/82/01/18/558820118.db2.gz VLLUAGVDCRMXJZ-OQMSMLFNSA-N -1 0 418.559 3.828 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094011 558822367 /nfs/dbraw/zinc/82/23/67/558822367.db2.gz NWDRGFDDZIYMNZ-HOTGVXAUSA-N -1 0 424.522 3.772 50 0 HHAARM CCn1c(SCC(=O)[O-])nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000072328133 558863008 /nfs/dbraw/zinc/86/30/08/558863008.db2.gz ZVXKELONAHBSHX-AWEZNQCLSA-N -1 0 410.927 3.645 50 0 HHAARM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651252 558869538 /nfs/dbraw/zinc/86/95/38/558869538.db2.gz CDIORBZSJUAOPQ-ROUUACIJSA-N -1 0 419.474 3.647 50 0 HHAARM O=S(=O)([N-]Cc1ccc(Oc2ccc(F)cc2)nc1)c1c(F)cc(F)cc1F ZINC000060505702 558896258 /nfs/dbraw/zinc/89/62/58/558896258.db2.gz XSKGLYHKNFPMIV-UHFFFAOYSA-N -1 0 412.364 3.909 50 0 HHAARM CC(=O)c1ccccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071388715 558897431 /nfs/dbraw/zinc/89/74/31/558897431.db2.gz XEJKPNIIZQXAJA-UHFFFAOYSA-N -1 0 401.484 3.819 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1Cl ZINC000033171184 558899995 /nfs/dbraw/zinc/89/99/95/558899995.db2.gz GEJQBRULNFQKOZ-UHFFFAOYSA-N -1 0 422.846 3.705 50 0 HHAARM COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000058157306 558903285 /nfs/dbraw/zinc/90/32/85/558903285.db2.gz OTMVJKRNRSHIGU-UHFFFAOYSA-N -1 0 423.796 3.955 50 0 HHAARM CCc1cccc(NC(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)c1 ZINC000097942091 558947886 /nfs/dbraw/zinc/94/78/86/558947886.db2.gz ANDWMQXHOMXOSH-UHFFFAOYSA-N -1 0 413.481 3.842 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000004742082 559044601 /nfs/dbraw/zinc/04/46/01/559044601.db2.gz RIDDLZLXGCNYCC-INIZCTEOSA-N -1 0 410.495 3.987 50 0 HHAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2s1 ZINC000033298905 559048118 /nfs/dbraw/zinc/04/81/18/559048118.db2.gz GZTOALMMUUYLJK-UHFFFAOYSA-N -1 0 422.962 3.606 50 0 HHAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000033308062 559052241 /nfs/dbraw/zinc/05/22/41/559052241.db2.gz AKLBJTQYKFLEEG-UHFFFAOYSA-N -1 0 405.483 3.747 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc4nc(C)cc(=O)n34)cc2)s1 ZINC000011696441 559189361 /nfs/dbraw/zinc/18/93/61/559189361.db2.gz OVSXLKLPLCFPCH-UHFFFAOYSA-N -1 0 417.537 3.902 50 0 HHAARM O=C([O-])CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000004863064 559193358 /nfs/dbraw/zinc/19/33/58/559193358.db2.gz MWYATKSUDJGVFA-HNNXBMFYSA-N -1 0 405.248 3.975 50 0 HHAARM CCOC(=O)c1ccccc1NC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004920398 559204949 /nfs/dbraw/zinc/20/49/49/559204949.db2.gz VGRNUUDHZWJFQQ-UHFFFAOYSA-N -1 0 400.818 3.877 50 0 HHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000005126762 559248776 /nfs/dbraw/zinc/24/87/76/559248776.db2.gz OBXVHFLOPYPFJS-UHFFFAOYSA-N -1 0 416.293 3.666 50 0 HHAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866796 559264362 /nfs/dbraw/zinc/26/43/62/559264362.db2.gz TWXJEQAZBVNJCP-JZKQVHKSSA-N -1 0 403.475 3.518 50 0 HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000974227 560180188 /nfs/dbraw/zinc/18/01/88/560180188.db2.gz QEPKJDWRLSGDDS-CABCVRRESA-N -1 0 410.392 3.701 50 0 biogenic,in-vitro HHAARM Cc1cc(C)n(-c2nc3sc4c(c3c(SCC(=O)[O-])n2)CC(C)(C)OC4)n1 ZINC000005562704 560618836 /nfs/dbraw/zinc/61/88/36/560618836.db2.gz YPNBSFYQLAPPIO-UHFFFAOYSA-N -1 0 404.517 3.522 50 0 HHAARM O=C([O-])c1c(NC(=O)c2ccc(I)cc2)sc2c1CCC2 ZINC000008387402 560754519 /nfs/dbraw/zinc/75/45/19/560754519.db2.gz BLGFMSNTBBHLGF-UHFFFAOYSA-N -1 0 413.236 3.792 50 0 HHAARM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]S(C)(=O)=O)nn32)cc1 ZINC000100865757 560761000 /nfs/dbraw/zinc/76/10/00/560761000.db2.gz FMOKTWFFFMQLNQ-QGZVFWFLSA-N -1 0 415.906 3.667 50 0 HHAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000018067325 560774549 /nfs/dbraw/zinc/77/45/49/560774549.db2.gz LRKJNSYVFCUHII-HSALFYBXSA-N -1 0 405.841 3.786 50 0 HHAARM O=C(Nc1ccc(F)cc1F)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722351 560798836 /nfs/dbraw/zinc/79/88/36/560798836.db2.gz QYGGTKAWBQFVKH-UHFFFAOYSA-N -1 0 411.339 3.761 50 0 HHAARM CCc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000101723442 560799199 /nfs/dbraw/zinc/79/91/99/560799199.db2.gz PGYJLXNHLYGWAR-UHFFFAOYSA-N -1 0 415.449 3.915 50 0 HHAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000101836387 560803687 /nfs/dbraw/zinc/80/36/87/560803687.db2.gz JJIUYQYTLKQOHH-SFHVURJKSA-N -1 0 424.844 3.781 50 0 HHAARM CCc1ccc(CN(C(=O)c2ccccc2F)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877899 560804245 /nfs/dbraw/zinc/80/42/45/560804245.db2.gz VRQHDPMJKWWKKL-UHFFFAOYSA-N -1 0 419.460 3.583 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(F)cc1F ZINC000102810969 560829395 /nfs/dbraw/zinc/82/93/95/560829395.db2.gz YPLKRLBMLGMMEL-LJQANCHMSA-N -1 0 424.407 3.959 50 0 HHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000102818661 560829476 /nfs/dbraw/zinc/82/94/76/560829476.db2.gz XVQMWAKJOCKHRD-IRXDYDNUSA-N -1 0 413.275 3.872 50 0 HHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000102818665 560829522 /nfs/dbraw/zinc/82/95/22/560829522.db2.gz XVQMWAKJOCKHRD-IAGOWNOFSA-N -1 0 413.275 3.872 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)cc1 ZINC000102820701 560829565 /nfs/dbraw/zinc/82/95/65/560829565.db2.gz LAWBBHCCWGZWOF-LJQANCHMSA-N -1 0 406.417 3.820 50 0 HHAARM CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccco5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282317 560851647 /nfs/dbraw/zinc/85/16/47/560851647.db2.gz SCTYPNFSRJRJBA-UHFFFAOYSA-N -1 0 412.449 3.904 50 0 HHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000048366789 568441969 /nfs/dbraw/zinc/44/19/69/568441969.db2.gz MRGTYTIYASZVCQ-UHFFFAOYSA-N -1 0 406.467 3.649 50 0 HHAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)c1 ZINC000049543167 568451052 /nfs/dbraw/zinc/45/10/52/568451052.db2.gz FIIJXTKVGKCWGM-MRXNPFEDSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)cc2OC)CC(=O)N3)c1 ZINC000049543244 568451175 /nfs/dbraw/zinc/45/11/75/568451175.db2.gz BBIOBNJPQIAQSA-KRWDZBQOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(OC)c2OC)CC(=O)N3)c1 ZINC000049545993 568451357 /nfs/dbraw/zinc/45/13/57/568451357.db2.gz RJNSPZCMRHWYOP-INIZCTEOSA-N -1 0 422.437 3.675 50 0 HHAARM CCCN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215040303 568459442 /nfs/dbraw/zinc/45/94/42/568459442.db2.gz BUAMXSJNZNWPCL-UHFFFAOYSA-N -1 0 407.314 3.957 50 0 HHAARM CCN(CC)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215510903 568461057 /nfs/dbraw/zinc/46/10/57/568461057.db2.gz RLFPRSXLLDJIHO-UHFFFAOYSA-N -1 0 407.314 3.957 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000797222 568482657 /nfs/dbraw/zinc/48/26/57/568482657.db2.gz QMAQAFLAXSBHTF-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccncc1 ZINC000095750646 568511439 /nfs/dbraw/zinc/51/14/39/568511439.db2.gz GHMLGGDNHSFPRJ-KRWDZBQOSA-N -1 0 402.450 3.864 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c1 ZINC000020990244 568655786 /nfs/dbraw/zinc/65/57/86/568655786.db2.gz OOQQAYJHTXWZMF-UHFFFAOYSA-N -1 0 414.483 3.813 50 0 HHAARM CCCC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(OC)c1 ZINC000021353390 568688016 /nfs/dbraw/zinc/68/80/16/568688016.db2.gz SPEGXBIOKLHGAN-UHFFFAOYSA-N -1 0 405.501 3.844 50 0 HHAARM CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)[N-]c3nc4ccccc4s3)ccc21 ZINC000096183096 568702757 /nfs/dbraw/zinc/70/27/57/568702757.db2.gz WBUBQTYBTJLMRH-UHFFFAOYSA-N -1 0 401.513 3.741 50 0 HHAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229982895 568716358 /nfs/dbraw/zinc/71/63/58/568716358.db2.gz TVDUNKYDUZOHKX-XUVXKRRUSA-N -1 0 405.841 3.786 50 0 HHAARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c(C)s2)c1C ZINC000096323556 568732183 /nfs/dbraw/zinc/73/21/83/568732183.db2.gz QVJNLFVYGGUBNT-UHFFFAOYSA-N -1 0 406.485 3.900 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc(OC)c1 ZINC000096357136 568738563 /nfs/dbraw/zinc/73/85/63/568738563.db2.gz SWSFVKPEOZFFLS-UHFFFAOYSA-N -1 0 421.906 3.961 50 0 HHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)cc1 ZINC000096379462 568741065 /nfs/dbraw/zinc/74/10/65/568741065.db2.gz LWSTXQNLOKGENZ-UHFFFAOYSA-N -1 0 400.460 3.562 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379687 568741449 /nfs/dbraw/zinc/74/14/49/568741449.db2.gz SHAKANGHSMTRCU-UHFFFAOYSA-N -1 0 402.476 3.758 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)cc1Cl ZINC000021777415 568752328 /nfs/dbraw/zinc/75/23/28/568752328.db2.gz JRFGOIXMACYSKV-UHFFFAOYSA-N -1 0 419.915 3.980 50 0 HHAARM CC1(C)CON(Cc2cc(F)c(NC(=O)C3=C(C(=O)[O-])CCCC3)cc2Cl)C1=O ZINC000096592273 568763075 /nfs/dbraw/zinc/76/30/75/568763075.db2.gz ZYXODSNPKBYMFU-UHFFFAOYSA-N -1 0 424.856 3.673 50 0 HHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)cc1 ZINC000002651717 568796428 /nfs/dbraw/zinc/79/64/28/568796428.db2.gz JHZPXHQMJPHSNG-UHFFFAOYSA-N -1 0 408.526 3.996 50 0 HHAARM CCCOc1ccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763811 568825702 /nfs/dbraw/zinc/82/57/02/568825702.db2.gz SYFFVRMTMUYDCS-UHFFFAOYSA-N -1 0 420.513 3.715 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000006016680 568835362 /nfs/dbraw/zinc/83/53/62/568835362.db2.gz RORLEALCOCEMGZ-UHFFFAOYSA-N -1 0 422.466 3.625 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccc(C)cc3)c2C)cc1OC ZINC000012536170 568845525 /nfs/dbraw/zinc/84/55/25/568845525.db2.gz UQVVSWNUOFAISV-UHFFFAOYSA-N -1 0 401.488 3.616 50 0 HHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccccn1 ZINC000012536308 568845854 /nfs/dbraw/zinc/84/58/54/568845854.db2.gz OMELVKRLZKARND-UHFFFAOYSA-N -1 0 400.431 3.687 50 0 HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](CCC)C(=O)[O-])cc2oc1=O ZINC000004046582 568880185 /nfs/dbraw/zinc/88/01/85/568880185.db2.gz LFXOXUVLWVTOMG-IBGZPJMESA-N -1 0 417.502 3.973 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000004062036 568881585 /nfs/dbraw/zinc/88/15/85/568881585.db2.gz POTRGKCAVYYTBF-INIZCTEOSA-N -1 0 417.502 3.973 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)[O-])ccc12 ZINC000004062053 568881613 /nfs/dbraw/zinc/88/16/13/568881613.db2.gz FLVDHXIGPBNNIW-UHFFFAOYSA-N -1 0 403.475 3.584 50 0 biogenic HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC2CCCC2)c1 ZINC000012630278 568883484 /nfs/dbraw/zinc/88/34/84/568883484.db2.gz ASLVUOCSPANEDV-UHFFFAOYSA-N -1 0 404.488 3.720 50 0 HHAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003350679 568885642 /nfs/dbraw/zinc/88/56/42/568885642.db2.gz PFRUFBFGBMAVBB-HNNXBMFYSA-N -1 0 419.808 3.559 50 0 HHAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012685727 568908258 /nfs/dbraw/zinc/90/82/58/568908258.db2.gz LCUVFCPQHPVPGW-UHFFFAOYSA-N -1 0 413.826 3.563 50 0 HHAARM CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC000004110245 568910245 /nfs/dbraw/zinc/91/02/45/568910245.db2.gz YVYOHLNJGLJXES-JYKGCVQOSA-N -1 0 421.921 3.792 50 0 HHAARM CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)c1 ZINC000001282221 568910810 /nfs/dbraw/zinc/91/08/10/568910810.db2.gz SXZGJYWBUUJVAE-UHFFFAOYSA-N -1 0 424.482 3.540 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(C)cc3)C2)cc1OC ZINC000004194567 568951006 /nfs/dbraw/zinc/95/10/06/568951006.db2.gz FHIWYPNDYDZZDC-LJQANCHMSA-N -1 0 410.470 3.945 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000007988564 568966024 /nfs/dbraw/zinc/96/60/24/568966024.db2.gz PIJNFCLAWRLNIZ-UHFFFAOYSA-N -1 0 408.907 3.822 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1 ZINC000085664606 569006534 /nfs/dbraw/zinc/00/65/34/569006534.db2.gz DDRWLHHKICGTAL-UHFFFAOYSA-N -1 0 403.407 3.966 50 0 HHAARM Cc1cccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000035397366 569034850 /nfs/dbraw/zinc/03/48/50/569034850.db2.gz QJWHCAHXTLIUPL-UHFFFAOYSA-N -1 0 411.483 3.525 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2cnc(Oc3ccccc3F)nc2)cc1Cl ZINC000090607762 569042067 /nfs/dbraw/zinc/04/20/67/569042067.db2.gz GHATXNHSPXRFOP-UHFFFAOYSA-N -1 0 409.826 3.871 50 0 HHAARM CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc21 ZINC000001926329 569059694 /nfs/dbraw/zinc/05/96/94/569059694.db2.gz HTRSNDACXJJYTB-UHFFFAOYSA-N -1 0 419.455 3.736 50 0 HHAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O ZINC000035829507 569061832 /nfs/dbraw/zinc/06/18/32/569061832.db2.gz SZZHVHYLNGMOJL-ODLFYWEKSA-N -1 0 424.407 3.511 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)cc1 ZINC000079014689 569064350 /nfs/dbraw/zinc/06/43/50/569064350.db2.gz NGNBXUKDCLJGEP-UHFFFAOYSA-N -1 0 419.684 3.567 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccc(F)cc1F)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000002050569 569072311 /nfs/dbraw/zinc/07/23/11/569072311.db2.gz GTQROIONOSVKNR-KRWDZBQOSA-N -1 0 420.309 3.768 50 0 HHAARM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)ccc21 ZINC000064861827 569110479 /nfs/dbraw/zinc/11/04/79/569110479.db2.gz LFRYHOWHVMHUCP-UHFFFAOYSA-N -1 0 423.922 3.632 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000064947312 569129149 /nfs/dbraw/zinc/12/91/49/569129149.db2.gz JMWYQFATYFQLMM-UHFFFAOYSA-N -1 0 421.906 3.961 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)c1 ZINC000064979593 569141012 /nfs/dbraw/zinc/14/10/12/569141012.db2.gz AYIZNYOFPVURBS-UHFFFAOYSA-N -1 0 418.471 3.948 50 0 HHAARM COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000064988101 569145649 /nfs/dbraw/zinc/14/56/49/569145649.db2.gz GHIRMLSBGQQMSR-UHFFFAOYSA-N -1 0 408.439 3.608 50 0 HHAARM O=C([O-])CC1(CNC(=O)Cn2ccc3ccc(Br)cc32)CCCCC1 ZINC000036353000 569147614 /nfs/dbraw/zinc/14/76/14/569147614.db2.gz GUZOREPBXKCKLL-UHFFFAOYSA-N -1 0 407.308 3.945 50 0 HHAARM CC(C)C[C@H](NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C(=O)[O-] ZINC000036360827 569151931 /nfs/dbraw/zinc/15/19/31/569151931.db2.gz QRYZFRGUIVBIOX-AWEZNQCLSA-N -1 0 416.421 3.867 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1 ZINC000065009017 569153347 /nfs/dbraw/zinc/15/33/47/569153347.db2.gz XRKGHFSRVDFCGL-UHFFFAOYSA-N -1 0 407.517 3.583 50 0 HHAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)c1 ZINC000065112609 569180642 /nfs/dbraw/zinc/18/06/42/569180642.db2.gz KMPZIEIIQJJFHK-UHFFFAOYSA-N -1 0 405.501 3.609 50 0 HHAARM Cc1sc2nc(CN3CCCC3)nc([N-]S(=O)(=O)Cc3ccccc3)c2c1C ZINC000006919643 569181610 /nfs/dbraw/zinc/18/16/10/569181610.db2.gz ZITVKBVTAWTDKO-UHFFFAOYSA-N -1 0 416.572 3.846 50 0 HHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C(C)C)nn32)c1 ZINC000065184050 569191065 /nfs/dbraw/zinc/19/10/65/569191065.db2.gz YDTLWARKQJUYFD-UHFFFAOYSA-N -1 0 422.532 3.625 50 0 HHAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)s1 ZINC000065183804 569191104 /nfs/dbraw/zinc/19/11/04/569191104.db2.gz VOSOERSJKQVSRL-UHFFFAOYSA-N -1 0 404.439 3.790 50 0 HHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C(C)C)nn32)cc1 ZINC000065184043 569191112 /nfs/dbraw/zinc/19/11/12/569191112.db2.gz ZPDRDCSIARZIIT-UHFFFAOYSA-N -1 0 422.532 3.625 50 0 HHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(SC)c3)c(C)n2C)o1 ZINC000065186514 569192098 /nfs/dbraw/zinc/19/20/98/569192098.db2.gz SKNZAVTYFQHMNB-UHFFFAOYSA-N -1 0 406.533 3.777 50 0 HHAARM CSc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1 ZINC000065196229 569194580 /nfs/dbraw/zinc/19/45/80/569194580.db2.gz GWNGFZVNXSTOTJ-UHFFFAOYSA-N -1 0 408.570 3.566 50 0 HHAARM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C1 ZINC000065196264 569194597 /nfs/dbraw/zinc/19/45/97/569194597.db2.gz VKOKVAAVYAWKAZ-UHFFFAOYSA-N -1 0 410.948 3.887 50 0 HHAARM COc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccccc3)c4=O)c2c1 ZINC000036576143 569201024 /nfs/dbraw/zinc/20/10/24/569201024.db2.gz JFARDTYJPGESNE-UHFFFAOYSA-N -1 0 414.465 3.885 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc(OC)c1 ZINC000065246457 569205604 /nfs/dbraw/zinc/20/56/04/569205604.db2.gz SMQYBJBDXBURBI-UHFFFAOYSA-N -1 0 419.459 3.805 50 0 HHAARM O=C(NC1CCCCCC1)c1c(=O)[nH]c2c(cnn2-c2ccc(Cl)cc2)c1[O-] ZINC000065249904 569205907 /nfs/dbraw/zinc/20/59/07/569205907.db2.gz HFLWFKPNEMGWKD-UHFFFAOYSA-N -1 0 400.866 3.525 50 0 HHAARM O=C(Cc1cccs1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260867 569209646 /nfs/dbraw/zinc/20/96/46/569209646.db2.gz VWPWXVAMWOVRDQ-UHFFFAOYSA-N -1 0 424.913 3.532 50 0 HHAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(Br)cc1 ZINC000036623938 569212754 /nfs/dbraw/zinc/21/27/54/569212754.db2.gz BJTLMAOICKYRIN-WBVHZDCISA-N -1 0 424.316 3.825 50 0 HHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Br)cc3nc(C)oc32)cc1 ZINC000170600428 569242969 /nfs/dbraw/zinc/24/29/69/569242969.db2.gz AVVYLABDOJNVCO-UHFFFAOYSA-N -1 0 424.276 3.658 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(Cl)c3)C2)c(OC)c1 ZINC000170612574 569246525 /nfs/dbraw/zinc/24/65/25/569246525.db2.gz ODMRTXLQISHVTQ-SFHVURJKSA-N -1 0 416.861 3.900 50 0 HHAARM Cn1c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)nc2cc(Cl)ccc21 ZINC000170622850 569249371 /nfs/dbraw/zinc/24/93/71/569249371.db2.gz BHYDLXNVVPDWGH-UHFFFAOYSA-N -1 0 405.785 3.926 50 0 HHAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc(C)o1)NC(=O)c1ccccc1 ZINC000013575703 569256138 /nfs/dbraw/zinc/25/61/38/569256138.db2.gz HHONCTSDTXFFFS-UYRXBGFRSA-N -1 0 420.421 3.704 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 ZINC000013696501 569257095 /nfs/dbraw/zinc/25/70/95/569257095.db2.gz JDFXWOSULKQFAC-UHFFFAOYSA-N -1 0 402.516 3.740 50 0 HHAARM O=C(C1CCCC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000013696325 569257179 /nfs/dbraw/zinc/25/71/79/569257179.db2.gz XPHAXNRNNYKBDC-UHFFFAOYSA-N -1 0 406.454 3.845 50 0 HHAARM Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000013788792 569257645 /nfs/dbraw/zinc/25/76/45/569257645.db2.gz VIVAUZBFZZMGTE-UHFFFAOYSA-N -1 0 413.528 3.703 50 0 HHAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc21 ZINC000016837569 569263394 /nfs/dbraw/zinc/26/33/94/569263394.db2.gz KMTGUJCCGXCXSS-UHFFFAOYSA-N -1 0 408.907 3.839 50 0 HHAARM CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])c12 ZINC000002113808 569284221 /nfs/dbraw/zinc/28/42/21/569284221.db2.gz COUGUTIFRDIBEM-HNNXBMFYSA-N -1 0 403.475 3.582 50 0 biogenic HHAARM CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CNC(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC000252428340 569285248 /nfs/dbraw/zinc/28/52/48/569285248.db2.gz YVYOHLNJGLJXES-JLRGWOEFSA-N -1 0 421.921 3.792 50 0 HHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])CC1)oc1c3CCCC1 ZINC000002154498 569290209 /nfs/dbraw/zinc/29/02/09/569290209.db2.gz UWIPNKLJMRWQDM-UHFFFAOYSA-N -1 0 423.465 3.592 50 0 biogenic HHAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc12 ZINC000002154647 569290253 /nfs/dbraw/zinc/29/02/53/569290253.db2.gz UFDYUBOQAXBFMA-IBGZPJMESA-N -1 0 419.433 3.511 50 0 biogenic HHAARM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc4c(c2)C(=O)NC4=O)C3=O)cc1C ZINC000002195142 569294496 /nfs/dbraw/zinc/29/44/96/569294496.db2.gz QQFGIAZXVFAHJP-UHFFFAOYSA-N -1 0 412.401 3.780 50 0 HHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708572 569301551 /nfs/dbraw/zinc/30/15/51/569301551.db2.gz VHYKCUDVDYWDCQ-UHFFFAOYSA-N -1 0 402.516 3.920 50 0 HHAARM CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc(Br)c1OC ZINC000002237079 569322041 /nfs/dbraw/zinc/32/20/41/569322041.db2.gz IAVVBHDLIRGDDR-KPKJPENVSA-N -1 0 414.281 3.501 50 0 HHAARM COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000027528413 569364272 /nfs/dbraw/zinc/36/42/72/569364272.db2.gz IWVLLQWNJSXJDN-UHFFFAOYSA-N -1 0 407.470 3.845 50 0 HHAARM Cn1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cn1 ZINC000253410093 569366632 /nfs/dbraw/zinc/36/66/32/569366632.db2.gz MVLZRHJIQUMZRO-CQSZACIVSA-N -1 0 422.824 3.994 50 0 biogenic HHAARM CCCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c([O-])c2ccccc21 ZINC000002290991 569368975 /nfs/dbraw/zinc/36/89/75/569368975.db2.gz VCISLMABLWYNMA-UHFFFAOYSA-N -1 0 400.456 3.608 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccccc1F)(NC(=O)OCc1ccccc1)C(F)(F)F ZINC000002322937 569375247 /nfs/dbraw/zinc/37/52/47/569375247.db2.gz UYNCYADEHUHSIK-SFHVURJKSA-N -1 0 414.355 3.986 50 0 HHAARM COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253470699 569381007 /nfs/dbraw/zinc/38/10/07/569381007.db2.gz ACUPLWLOPLHQRK-MRXNPFEDSA-N -1 0 413.401 3.668 50 0 HHAARM CC1(C)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nnc([S-])n32)CO1 ZINC000002389370 569392785 /nfs/dbraw/zinc/39/27/85/569392785.db2.gz QSFUENYCNBNLOP-UHFFFAOYSA-N -1 0 418.931 3.888 50 0 HHAARM Cc1c(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002401831 569395574 /nfs/dbraw/zinc/39/55/74/569395574.db2.gz RWAUHWBHAVLXEA-OAHLLOKOSA-N -1 0 415.486 3.509 50 0 HHAARM O=S(=O)([N-]c1noc(-c2ccccc2F)n1)c1ccc(OC(F)(F)F)cc1 ZINC000328594127 569415667 /nfs/dbraw/zinc/41/56/67/569415667.db2.gz SAGOMCXIDIPTAG-UHFFFAOYSA-N -1 0 403.313 3.575 50 0 HHAARM Cc1nc([N-]S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)nc2c1CCCC2 ZINC000328594492 569415728 /nfs/dbraw/zinc/41/57/28/569415728.db2.gz NZVWDGITZTWKDI-UHFFFAOYSA-N -1 0 421.482 3.668 50 0 HHAARM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000078995684 569423164 /nfs/dbraw/zinc/42/31/64/569423164.db2.gz MCABNAZCQOSVSU-HNNXBMFYSA-N -1 0 412.795 3.606 50 0 HHAARM O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 ZINC000238937246 571046627 /nfs/dbraw/zinc/04/66/27/571046627.db2.gz URMJABIZXOISIF-VAMGGRTRSA-N -1 0 405.841 3.786 50 0 HHAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)[C@H]1C ZINC000334158715 571050398 /nfs/dbraw/zinc/05/03/98/571050398.db2.gz BMKOENPMJIDQAP-GLJUWKHASA-N -1 0 411.527 3.881 50 0 HHAARM CCOc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccc3nccnc3c2)C1 ZINC000039563633 571133131 /nfs/dbraw/zinc/13/31/31/571133131.db2.gz DWALPJWQCZVUMV-FQEVSTJZSA-N -1 0 418.453 3.571 50 0 HHAARM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1C ZINC000040087677 571158143 /nfs/dbraw/zinc/15/81/43/571158143.db2.gz VWMTUHCCNDSKJP-UHFFFAOYSA-N -1 0 405.394 3.720 50 0 HHAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000040267187 571214014 /nfs/dbraw/zinc/21/40/14/571214014.db2.gz RESWFEHLCJMXCX-LBPRGKRZSA-N -1 0 402.394 3.856 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 ZINC000009151990 571230691 /nfs/dbraw/zinc/23/06/91/571230691.db2.gz QZSJFGPWWWWPAE-UHFFFAOYSA-N -1 0 403.410 3.721 50 0 HHAARM CCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccc(C)cc3nc21 ZINC000009449318 571259848 /nfs/dbraw/zinc/25/98/48/571259848.db2.gz WAWKTTIREKXUHY-UHFFFAOYSA-N -1 0 423.498 3.672 50 0 HHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1C(=O)N1CCCCC1 ZINC000009684608 571279430 /nfs/dbraw/zinc/27/94/30/571279430.db2.gz PZYPRNYVGIKNJS-UHFFFAOYSA-N -1 0 415.559 3.937 50 0 HHAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)n1C ZINC000009684791 571279614 /nfs/dbraw/zinc/27/96/14/571279614.db2.gz LGHGSSBJCJAVJM-UHFFFAOYSA-N -1 0 403.548 3.802 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c1 ZINC000009686667 571279972 /nfs/dbraw/zinc/27/99/72/571279972.db2.gz XFJSTRXSNOPVGI-UHFFFAOYSA-N -1 0 405.501 3.733 50 0 HHAARM CCc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009828581 571286794 /nfs/dbraw/zinc/28/67/94/571286794.db2.gz WBIREXJZDAVGFM-UHFFFAOYSA-N -1 0 415.540 3.996 50 0 HHAARM CSc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000009828736 571286916 /nfs/dbraw/zinc/28/69/16/571286916.db2.gz RSYKMXSWBROOBG-UHFFFAOYSA-N -1 0 419.553 3.847 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 ZINC000009828598 571287055 /nfs/dbraw/zinc/28/70/55/571287055.db2.gz VYWPVYDNYAMVBY-UHFFFAOYSA-N -1 0 419.503 3.881 50 0 HHAARM CCc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009828705 571287057 /nfs/dbraw/zinc/28/70/57/571287057.db2.gz JZUYPOZIEULPRQ-UHFFFAOYSA-N -1 0 401.513 3.688 50 0 HHAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000010273262 571299120 /nfs/dbraw/zinc/29/91/20/571299120.db2.gz LAQBAPRFEZGYCT-MOPGFXCFSA-N -1 0 419.416 3.591 50 0 HHAARM CCCOc1cccc(-c2nnc(CCC(=O)Nc3ccc(OC)cc3)c(=O)[n-]2)c1 ZINC000034765231 571316527 /nfs/dbraw/zinc/31/65/27/571316527.db2.gz KHFICJAKXMYKOJ-UHFFFAOYSA-N -1 0 408.458 3.613 50 0 HHAARM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000001737553 960464208 /nfs/dbraw/zinc/46/42/08/960464208.db2.gz YOAMVHBNCKAYMT-KUHUBIRLSA-N -1 0 409.438 3.597 50 0 HHAARM COc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OCC(=O)[O-] ZINC000096892169 969054586 /nfs/dbraw/zinc/05/45/86/969054586.db2.gz LLNMBIXMCXCJLE-VCHYOVAHSA-N -1 0 403.390 3.656 50 0 HHAARM CN1CCN(c2ncc(/C=C(/CCCC(=O)[O-])c3nc4ccccc4s3)cn2)CC1 ZINC000328597281 972766872 /nfs/dbraw/zinc/76/68/72/972766872.db2.gz GNCRCJCNVVNZAG-LGMDPLHJSA-N -1 0 423.542 3.634 50 0 HHAARM O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)CO2 ZINC000002505784 132255321 /nfs/dbraw/zinc/25/53/21/132255321.db2.gz DRQRUDISKOYLEA-UHFFFAOYSA-N -1 0 405.381 3.681 50 0 HHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccccc3C)c(Br)cc2C[C@H]1C ZINC000040450643 519638991 /nfs/dbraw/zinc/63/89/91/519638991.db2.gz BIEWGSUETUXVQI-GFCCVEGCSA-N -1 0 423.332 3.856 50 0 HHAARM O=C([O-])[C@@H]1CCCN(C(=O)CCn2ccc3cc(OCc4ccccc4)ccc32)C1 ZINC000040309382 526271233 /nfs/dbraw/zinc/27/12/33/526271233.db2.gz FYZYSEWVLYUENI-HXUWFJFHSA-N -1 0 406.482 3.934 50 0 biogenic HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000017090756 526318086 /nfs/dbraw/zinc/31/80/86/526318086.db2.gz ATMJZYCOALUMSX-CABCVRRESA-N -1 0 416.543 3.905 50 0 HHAARM O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC000032786982 526759333 /nfs/dbraw/zinc/75/93/33/526759333.db2.gz XYJHZECGELYWSB-UHFFFAOYSA-N -1 0 413.688 3.951 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(Cl)ccc1Cl ZINC000000917352 557117798 /nfs/dbraw/zinc/11/77/98/557117798.db2.gz PUMGMAMCGWHQKF-UHFFFAOYSA-N -1 0 423.281 3.837 50 0 HHAARM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000955940 557126110 /nfs/dbraw/zinc/12/61/10/557126110.db2.gz BQDPTAXHPKZZRY-NYYWCZLTSA-N -1 0 415.496 3.604 50 0 HHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000001033576 557148781 /nfs/dbraw/zinc/14/87/81/557148781.db2.gz MSGMMRKTIQDFAP-UHFFFAOYSA-N -1 0 411.487 3.847 50 0 HHAARM CCOc1ccccc1C(=O)NC([N-]c1ncccn1)(C(F)(F)F)C(F)(F)F ZINC000001044122 557155225 /nfs/dbraw/zinc/15/52/25/557155225.db2.gz CXQDPMAKEBUCJN-UHFFFAOYSA-N -1 0 408.302 3.538 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccccc2)cc1 ZINC000006093652 557172777 /nfs/dbraw/zinc/17/27/77/557172777.db2.gz XFFLDBRSPGOTAJ-DTQAZKPQSA-N -1 0 422.506 3.826 50 0 HHAARM COc1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000001139417 557202968 /nfs/dbraw/zinc/20/29/68/557202968.db2.gz YBHJXLPGXJRSBO-UHFFFAOYSA-N -1 0 420.421 3.663 50 0 HHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000001517349 557271368 /nfs/dbraw/zinc/27/13/68/557271368.db2.gz QTYKQUZAELQIIZ-KRWDZBQOSA-N -1 0 401.260 3.992 50 0 HHAARM CCOC(=O)[C@@]([N-]c1ccc(Cl)cc1C(F)(F)F)(NC(C)=O)C(F)(F)F ZINC000002344628 557338810 /nfs/dbraw/zinc/33/88/10/557338810.db2.gz QDEUCTBZZLTRQV-LBPRGKRZSA-N -1 0 406.710 3.729 50 0 HHAARM Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n1CC(=O)[O-] ZINC000002541545 557355503 /nfs/dbraw/zinc/35/55/03/557355503.db2.gz HCWRQDDZALSSOU-UHFFFAOYSA-N -1 0 404.422 3.602 50 0 HHAARM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000002846609 557402983 /nfs/dbraw/zinc/40/29/83/557402983.db2.gz IVVGTHRWTCLZDD-UHFFFAOYSA-N -1 0 419.553 3.983 50 0 HHAARM O=C(CCc1nnc(-c2ccccc2F)[n-]c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000034767753 557462668 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50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1 ZINC000006139262 557690000 /nfs/dbraw/zinc/69/00/00/557690000.db2.gz ZJKNMGRTICSHDN-UHFFFAOYSA-N -1 0 415.902 3.774 50 0 HHAARM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2CC ZINC000008715478 557801344 /nfs/dbraw/zinc/80/13/44/557801344.db2.gz AEJHHYMVMJLZQI-UHFFFAOYSA-N -1 0 424.478 3.733 50 0 HHAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)c([O-])n2n1 ZINC000022854286 557840304 /nfs/dbraw/zinc/84/03/04/557840304.db2.gz CTTQLPDLCHFVJG-AWEZNQCLSA-N -1 0 413.330 3.787 50 0 HHAARM CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(N4CC(=O)N=C4[O-])cc3)C2)cc1 ZINC000011665059 558268395 /nfs/dbraw/zinc/26/83/95/558268395.db2.gz HMCQHIXNZFPPCK-FQEVSTJZSA-N -1 0 420.513 3.583 50 0 HHAARM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020732290 558406782 /nfs/dbraw/zinc/40/67/82/558406782.db2.gz LRZOBQPIPCXKMT-OAQYLSRUSA-N -1 0 408.454 3.669 50 0 HHAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000020745252 558409913 /nfs/dbraw/zinc/40/99/13/558409913.db2.gz YAZKJZFPPOQOJG-UHFFFAOYSA-N -1 0 414.405 3.574 50 0 HHAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004356007 558443423 /nfs/dbraw/zinc/44/34/23/558443423.db2.gz DOVDCHFULBEZCC-MOSHPQCFSA-N -1 0 420.444 3.762 50 0 HHAARM CC(=O)c1sc(NC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)nc1C ZINC000013552285 558539420 /nfs/dbraw/zinc/53/94/20/558539420.db2.gz RVDMGYBMPOVELQ-UHFFFAOYSA-N -1 0 406.847 3.609 50 0 HHAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2=O ZINC000014129332 558623913 /nfs/dbraw/zinc/62/39/13/558623913.db2.gz WHEHMYXVZDQEHE-UHFFFAOYSA-N -1 0 401.850 3.746 50 0 HHAARM C[C@@H]1CCc2[nH]c3c(cccc3C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c2C1 ZINC000030563214 558732855 /nfs/dbraw/zinc/73/28/55/558732855.db2.gz PRQUDAFYPOFHHW-GFCCVEGCSA-N -1 0 406.511 3.863 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1)c1ccccc1Cl ZINC000001189372 558775772 /nfs/dbraw/zinc/77/57/72/558775772.db2.gz XZSCXFHXOAGMJR-UHFFFAOYSA-N -1 0 420.918 3.978 50 0 HHAARM Cc1ccc(NC(=O)CSc2nc([O-])c(C)c(=O)n2-c2ccccc2F)c(C)c1 ZINC000016361483 558787767 /nfs/dbraw/zinc/78/77/67/558787767.db2.gz HMAIHYQAEQVFMP-UHFFFAOYSA-N -1 0 413.474 3.733 50 0 HHAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000016776939 558806344 /nfs/dbraw/zinc/80/63/44/558806344.db2.gz KKYSETJUAGMCSD-UHFFFAOYSA-N -1 0 416.890 3.561 50 0 HHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017082928 558815365 /nfs/dbraw/zinc/81/53/65/558815365.db2.gz IPGQQYQCIHVJOH-HZPDHXFCSA-N -1 0 404.532 3.897 50 0 HHAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000017082922 558815397 /nfs/dbraw/zinc/81/53/97/558815397.db2.gz QDVGFMMSWZDTEO-YUELXQCFSA-N -1 0 404.532 3.748 50 0 HHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082909 558815406 /nfs/dbraw/zinc/81/54/06/558815406.db2.gz OLISTOKEPCXXGI-KBPBESRZSA-N -1 0 404.532 3.739 50 0 HHAARM Cc1ccc(CNC(=O)c2c(NC(=O)C[C@H](C)CC(=O)[O-])sc3c2CCC3)cc1 ZINC000017089987 558818419 /nfs/dbraw/zinc/81/84/19/558818419.db2.gz BYIPSCSKWUAGRA-AWEZNQCLSA-N -1 0 414.527 3.915 50 0 HHAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2 ZINC000017090334 558818975 /nfs/dbraw/zinc/81/89/75/558818975.db2.gz CBTPPUGTADYFFD-UHFFFAOYSA-N -1 0 415.515 3.535 50 0 HHAARM COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC3CCCC3)cc2)cc1 ZINC000004689795 558899568 /nfs/dbraw/zinc/89/95/68/558899568.db2.gz KCMQZLIVXHMEQT-HXUWFJFHSA-N -1 0 419.499 3.511 50 0 HHAARM CCc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)cc1 ZINC000033256314 558923722 /nfs/dbraw/zinc/92/37/22/558923722.db2.gz JDAAHZHAVXAUIV-UHFFFAOYSA-N -1 0 413.524 3.889 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)c(OC)c1 ZINC000033263874 558959495 /nfs/dbraw/zinc/95/94/95/558959495.db2.gz DBUZWCWBJUXGSU-UHFFFAOYSA-N -1 0 418.349 3.771 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc(OC)c1 ZINC000033263883 558966184 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3.682 50 0 HHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2cccc(C)c2)C1=O ZINC000100134602 559130252 /nfs/dbraw/zinc/13/02/52/559130252.db2.gz NXEHVCLUAICJTR-OAHLLOKOSA-N -1 0 418.478 3.852 50 0 HHAARM O=C(COc1ccccc1)NCc1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000005128750 559248990 /nfs/dbraw/zinc/24/89/90/559248990.db2.gz QBQTXVKUBYJREA-UHFFFAOYSA-N -1 0 408.405 3.644 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccccc2)c1 ZINC000033863983 559270703 /nfs/dbraw/zinc/27/07/03/559270703.db2.gz BBLLVSVHLZCVNJ-UHFFFAOYSA-N -1 0 424.522 3.777 50 0 HHAARM C[C@@H](NC(=O)c1cc(Br)cc(Br)c1[O-])c1ccncc1 ZINC000005226855 560546250 /nfs/dbraw/zinc/54/62/50/560546250.db2.gz HOCSGZICPRCWCC-MRVPVSSYSA-N -1 0 400.070 3.803 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)cc1N1CCCCC1=O ZINC000005330217 560565703 /nfs/dbraw/zinc/56/57/03/560565703.db2.gz PLIGDAIRETVCRW-UHFFFAOYSA-N -1 0 418.515 3.638 50 0 HHAARM COc1ccccc1-n1c(CNC(=O)c2ccccc2C(F)(F)F)n[n-]c1=S ZINC000005658465 560636943 /nfs/dbraw/zinc/63/69/43/560636943.db2.gz VCXGGTUZCJNLAX-UHFFFAOYSA-N -1 0 408.405 3.887 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101079171 560771402 /nfs/dbraw/zinc/77/14/02/560771402.db2.gz QEXPOZVDGJBPDH-NSHDSACASA-N -1 0 406.891 3.546 50 0 HHAARM Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4ccc(C(C)(C)C)cc4)c(O)c-3c2=O)n1 ZINC000018063689 560774450 /nfs/dbraw/zinc/77/44/50/560774450.db2.gz HOKLKGIUOFXFKL-UHFFFAOYSA-N -1 0 417.513 3.611 50 0 HHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1C ZINC000101168227 560787542 /nfs/dbraw/zinc/78/75/42/560787542.db2.gz HCLUIKNGMWNWIZ-IRXDYDNUSA-N -1 0 402.376 3.816 50 0 HHAARM O=c1c2[n-][nH]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262558 560789958 /nfs/dbraw/zinc/78/99/58/560789958.db2.gz HMUMZTSLUJAYLT-IRXDYDNUSA-N -1 0 400.360 3.692 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(C)cc2)cc1 ZINC000101298522 560791184 /nfs/dbraw/zinc/79/11/84/560791184.db2.gz WXWLMCBTASNSNN-HXUWFJFHSA-N -1 0 418.453 3.826 50 0 HHAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101722954 560799006 /nfs/dbraw/zinc/79/90/06/560799006.db2.gz XFGHMXZJTDRSHV-UHFFFAOYSA-N -1 0 423.831 3.814 50 0 HHAARM CCOc1ccc(-c2noc(-c3c([O-])c4ccccc4n(CC)c3=O)n2)cc1OC ZINC000101725476 560799826 /nfs/dbraw/zinc/79/98/26/560799826.db2.gz JFBMHOTWAPUNHX-UHFFFAOYSA-N -1 0 407.426 3.851 50 0 HHAARM CC[C@@H](C(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1cccc(C)c1)c1ccccc1 ZINC000101802296 560802148 /nfs/dbraw/zinc/80/21/48/560802148.db2.gz ZFNXIYKSHPIQKY-HXUWFJFHSA-N -1 0 415.497 3.761 50 0 HHAARM Cc1nc2[nH]c(NC(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000101809808 560802271 /nfs/dbraw/zinc/80/22/71/560802271.db2.gz JYWDXCHJRFMNNM-UHFFFAOYSA-N -1 0 415.497 3.867 50 0 HHAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)N1CCCC1 ZINC000101833028 560803031 /nfs/dbraw/zinc/80/30/31/560803031.db2.gz CXCINOJUUZFMIN-UHFFFAOYSA-N -1 0 400.479 3.704 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2cccs2)C1 ZINC000101835778 560803333 /nfs/dbraw/zinc/80/33/33/560803333.db2.gz ONNKFLNGAWCLED-AWEZNQCLSA-N -1 0 400.847 3.834 50 0 HHAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4Cl)cnn32)cc1 ZINC000101836344 560803515 /nfs/dbraw/zinc/80/35/15/560803515.db2.gz VGTVAWLOAQAEKG-SFHVURJKSA-N -1 0 424.844 3.781 50 0 HHAARM O=C(Nc1ccccc1SCc1cc(=O)n2nc[n-]c2n1)c1cccc(Cl)c1 ZINC000101971414 560804812 /nfs/dbraw/zinc/80/48/12/560804812.db2.gz IGZWAUQDMFOVLG-UHFFFAOYSA-N -1 0 411.874 3.616 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2/C=C/c1ccccc1 ZINC000102820859 560829555 /nfs/dbraw/zinc/82/95/55/560829555.db2.gz JRMGVECNOATRBG-LPQFERQCSA-N -1 0 416.437 3.793 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(C)cc2)cc1 ZINC000102820853 560829569 /nfs/dbraw/zinc/82/95/69/560829569.db2.gz GOAPDSPHBFLOPH-FQEVSTJZSA-N -1 0 402.454 3.990 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)c1C ZINC000008195606 568492782 /nfs/dbraw/zinc/49/27/82/568492782.db2.gz NQWWSGXUIUJDCA-UHFFFAOYSA-N -1 0 405.501 3.725 50 0 HHAARM COc1ccc2cc(OCC3(C(=O)[O-])CN(C(=O)c4ccc(F)cc4)C3)ccc2c1 ZINC000095644391 568509991 /nfs/dbraw/zinc/50/99/91/568509991.db2.gz LWJGMYMNSNVCEM-UHFFFAOYSA-N -1 0 409.413 3.593 50 0 investigational HHAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccn1 ZINC000095750639 568511326 /nfs/dbraw/zinc/51/13/26/568511326.db2.gz NEUYGVQCMBHNIS-MRXNPFEDSA-N -1 0 402.450 3.864 50 0 HHAARM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000833655 568511842 /nfs/dbraw/zinc/51/18/42/568511842.db2.gz QZQLJZSRNFYIJZ-IZZDOVSWSA-N -1 0 414.874 3.583 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N4CCCC[C@@H]4C)c3=O)c2c1 ZINC000020330634 568599410 /nfs/dbraw/zinc/59/94/10/568599410.db2.gz IJBMMVQXPWHXNG-ZDUSSCGKSA-N -1 0 414.531 3.730 50 0 HHAARM O=S(=O)([N-]c1c[nH]cn1)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000225392273 568633819 /nfs/dbraw/zinc/63/38/19/568633819.db2.gz 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O=C([O-])C[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)c1ccccc1 ZINC000238169861 568726017 /nfs/dbraw/zinc/72/60/17/568726017.db2.gz MFFBUTUBJVRAAF-CQSZACIVSA-N -1 0 414.259 3.785 50 0 HHAARM COc1ccc(-n2c(CNc3ccc(Cl)cc3)nnc2SCC(=O)[O-])cc1 ZINC000000900465 568749387 /nfs/dbraw/zinc/74/93/87/568749387.db2.gz ABZASFLIDHXEBA-UHFFFAOYSA-N -1 0 404.879 3.718 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)[C@@H](C(=O)[O-])C1 ZINC000000915937 568750397 /nfs/dbraw/zinc/75/03/97/568750397.db2.gz LVFLAQWNCZHCGE-PMACEKPBSA-N -1 0 418.449 3.873 50 0 HHAARM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)c1 ZINC000086056960 568753861 /nfs/dbraw/zinc/75/38/61/568753861.db2.gz BGHZFACDNCDBET-KRWDZBQOSA-N -1 0 407.495 3.935 50 0 HHAARM CC1=CC[C@@H](C(=O)[O-])[C@@H](C(=O)Nc2ccc(CN3OCC(C)(C)C3=O)c(Cl)c2)C1 ZINC000000988202 568760686 /nfs/dbraw/zinc/76/06/86/568760686.db2.gz XCVTUDHJHCRBJL-CVEARBPZSA-N -1 0 420.893 3.636 50 0 HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000001072820 568768319 /nfs/dbraw/zinc/76/83/19/568768319.db2.gz JZJQBTXPIBBIKJ-GJZGRUSLSA-N -1 0 412.408 3.925 50 0 HHAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022609201 568771667 /nfs/dbraw/zinc/77/16/67/568771667.db2.gz JQZCEUXHGHWPOA-GOSISDBHSA-N -1 0 409.490 3.547 50 0 HHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](C)=O)ccc2[O-])c1=O ZINC000299738151 568781330 /nfs/dbraw/zinc/78/13/30/568781330.db2.gz BZCVCMOGPQJSAI-UHFFFAOYSA-O -1 0 410.450 3.895 50 0 HHAARM Cn1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc21 ZINC000012507829 568839887 /nfs/dbraw/zinc/83/98/87/568839887.db2.gz ULZISGPKIKQPGB-UHFFFAOYSA-N -1 0 412.496 3.688 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1N1CCCC1=O ZINC000012508627 568840096 /nfs/dbraw/zinc/84/00/96/568840096.db2.gz WWLLLDSBFBAKFS-UHFFFAOYSA-N -1 0 421.327 3.991 50 0 HHAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000012548402 568851724 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COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000008135702 568977007 /nfs/dbraw/zinc/97/70/07/568977007.db2.gz IEYHIORIKURIGK-UHFFFAOYSA-N -1 0 401.488 3.581 50 0 HHAARM COc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)cc1)[C@@H](CC(=O)[O-])S2 ZINC000008391860 568998554 /nfs/dbraw/zinc/99/85/54/568998554.db2.gz GRCVXPOLCLXSEU-OAHLLOKOSA-N -1 0 414.874 3.809 50 0 HHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000015781942 569002884 /nfs/dbraw/zinc/00/28/84/569002884.db2.gz OEKJTONDTXGHFZ-INIZCTEOSA-N -1 0 404.850 3.963 50 0 HHAARM CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000015782001 569002928 /nfs/dbraw/zinc/00/29/28/569002928.db2.gz IMFQQGRSBYDSOS-GOSISDBHSA-N -1 0 414.458 3.709 50 0 HHAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc(Br)cc3)C2)c([O-])[nH]c1=S ZINC000015834786 569012986 /nfs/dbraw/zinc/01/29/86/569012986.db2.gz GGYMJHFHHGHSBO-LBPRGKRZSA-N -1 0 423.336 3.613 50 0 HHAARM O=C(/C=C\c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006132639 569014163 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3.696 50 0 HHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1 ZINC000035539453 569043697 /nfs/dbraw/zinc/04/36/97/569043697.db2.gz DOCBAQLMCOOSDG-UHFFFAOYSA-N -1 0 418.500 3.743 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1C ZINC000006362209 569045906 /nfs/dbraw/zinc/04/59/06/569045906.db2.gz ZQLNMHUKGGIAIC-UHFFFAOYSA-N -1 0 402.516 3.867 50 0 HHAARM C[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@H]1C ZINC000006389571 569046370 /nfs/dbraw/zinc/04/63/70/569046370.db2.gz WVLBZGJIXNDCCS-BZUAXINKSA-N -1 0 405.564 3.756 50 0 HHAARM COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)[n-]c2=O)cc1 ZINC000012986821 569047453 /nfs/dbraw/zinc/04/74/53/569047453.db2.gz FCSLHGSTYMAMPM-GOSISDBHSA-N -1 0 422.510 3.539 50 0 HHAARM COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000239254600 569054066 /nfs/dbraw/zinc/05/40/66/569054066.db2.gz YLZTWNDSCCJXGQ-JMSVASOKSA-N -1 0 402.274 3.605 50 0 HHAARM O=C([O-])C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000001897401 569057144 /nfs/dbraw/zinc/05/71/44/569057144.db2.gz HURYDRANBZDEAQ-NCJDQSJGSA-N -1 0 414.461 3.790 50 0 HHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006471720 569058059 /nfs/dbraw/zinc/05/80/59/569058059.db2.gz DUZPIPSUWJYNSN-UHFFFAOYSA-N -1 0 402.453 3.530 50 0 HHAARM COc1ccc(N=C2S/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)N2C)cc1 ZINC000252639841 569061061 /nfs/dbraw/zinc/06/10/61/569061061.db2.gz YOBTYTTUXUCLTN-VQIHMLRWSA-N -1 0 421.478 3.968 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1C ZINC000004750082 569071396 /nfs/dbraw/zinc/07/13/96/569071396.db2.gz CUEVBXKBNJQISB-UHFFFAOYSA-N -1 0 407.398 3.623 50 0 HHAARM Cc1ccc(-n2ccnc2SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(C)c1 ZINC000006650742 569082156 /nfs/dbraw/zinc/08/21/56/569082156.db2.gz PROPKJNFYRLMMX-FQEVSTJZSA-N -1 0 421.522 3.619 50 0 HHAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)CC1 ZINC000064820434 569102668 /nfs/dbraw/zinc/10/26/68/569102668.db2.gz JCCUQJIQSGFLIP-UHFFFAOYSA-N -1 0 414.433 3.556 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)cc1Cl ZINC000064919922 569121028 /nfs/dbraw/zinc/12/10/28/569121028.db2.gz VDJKKYUSQMWRPN-UHFFFAOYSA-N -1 0 415.880 3.578 50 0 HHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1 ZINC000064920180 569121045 /nfs/dbraw/zinc/12/10/45/569121045.db2.gz DMXJRNKSNKQVDP-UHFFFAOYSA-N -1 0 419.484 3.653 50 0 HHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)s2)o1 ZINC000064920089 569121130 /nfs/dbraw/zinc/12/11/30/569121130.db2.gz IUVNEPHUVBGNNE-UHFFFAOYSA-N -1 0 405.379 3.806 50 0 HHAARM O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000019371410 569124734 /nfs/dbraw/zinc/12/47/34/569124734.db2.gz ZFAXZGLTGUFGPC-QPJJXVBHSA-N -1 0 410.901 3.983 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(C)=O ZINC000065020904 569154084 /nfs/dbraw/zinc/15/40/84/569154084.db2.gz LZAFVHROVSRUQS-UHFFFAOYSA-N -1 0 408.907 3.794 50 0 HHAARM Cc1c(OCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccc2c3ccccc3c(=O)oc12 ZINC000006933527 569184592 /nfs/dbraw/zinc/18/45/92/569184592.db2.gz OSSLOCNLYPTMCR-OAQYLSRUSA-N -1 0 417.417 3.576 50 0 HHAARM CCOC(=O)c1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCC4)cc1 ZINC000065150350 569184886 /nfs/dbraw/zinc/18/48/86/569184886.db2.gz KBJOMKCUDLSEDJ-UHFFFAOYSA-N -1 0 412.467 3.603 50 0 HHAARM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2C1 ZINC000065196263 569194568 /nfs/dbraw/zinc/19/45/68/569194568.db2.gz CNUQJCIIZADNDQ-UHFFFAOYSA-N -1 0 410.948 3.887 50 0 HHAARM CSc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196257 569194610 /nfs/dbraw/zinc/19/46/10/569194610.db2.gz ZSDAINYHBSGSOB-UHFFFAOYSA-N -1 0 408.570 3.566 50 0 HHAARM O=C(NCCc1cccs1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215721 569197545 /nfs/dbraw/zinc/19/75/45/569197545.db2.gz BOUHEXZKPXGUBT-UHFFFAOYSA-N -1 0 410.520 3.851 50 0 HHAARM CCOc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000065250011 569206063 /nfs/dbraw/zinc/20/60/63/569206063.db2.gz WCKWEYHBQJOJOW-UHFFFAOYSA-N -1 0 424.844 3.724 50 0 HHAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(Br)cc1 ZINC000036623936 569212729 /nfs/dbraw/zinc/21/27/29/569212729.db2.gz BJTLMAOICKYRIN-NVXWUHKLSA-N -1 0 424.316 3.825 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccccc2Br)c(OC)cc1Cl ZINC000007387470 569236127 /nfs/dbraw/zinc/23/61/27/569236127.db2.gz YFRSNBJQDBZJOT-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OCC2CC2)c(C(F)(F)F)n1 ZINC000170617343 569248078 /nfs/dbraw/zinc/24/80/78/569248078.db2.gz WROFPVMZSSKORU-UHFFFAOYSA-N -1 0 420.384 3.838 50 0 HHAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 ZINC000170624668 569249504 /nfs/dbraw/zinc/24/95/04/569249504.db2.gz GREVIGVBPSVSHK-ZDUSSCGKSA-N -1 0 406.438 3.643 50 0 HHAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc21 ZINC000016837556 569263417 /nfs/dbraw/zinc/26/34/17/569263417.db2.gz ZRQOBUXSWRBRRW-UHFFFAOYSA-N -1 0 423.332 3.939 50 0 HHAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2OC)cc1 ZINC000017056259 569272724 /nfs/dbraw/zinc/27/27/24/569272724.db2.gz BIDXGKKCLCIHJZ-HNNXBMFYSA-N -1 0 404.532 3.833 50 0 HHAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002155938 569290216 /nfs/dbraw/zinc/29/02/16/569290216.db2.gz WDSUQTCNUAIPMR-HNNXBMFYSA-N -1 0 403.475 3.582 50 0 biogenic HHAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002155941 569290275 /nfs/dbraw/zinc/29/02/75/569290275.db2.gz WDSUQTCNUAIPMR-OAHLLOKOSA-N -1 0 403.475 3.582 50 0 biogenic HHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002159921 569290591 /nfs/dbraw/zinc/29/05/91/569290591.db2.gz FCTJDJDDKSDNGA-LBPRGKRZSA-N -1 0 423.396 3.786 50 0 biogenic HHAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc2c1OCO2 ZINC000066087866 569314301 /nfs/dbraw/zinc/31/43/01/569314301.db2.gz HRMGOKHNYBOGLT-AWEZNQCLSA-N -1 0 424.384 3.526 50 0 HHAARM CC(C)CCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974370 569322634 /nfs/dbraw/zinc/32/26/34/569322634.db2.gz XXFNGGGBKZWULT-UHFFFAOYSA-N -1 0 405.520 3.510 50 0 HHAARM O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2ccccc2O)c(Cl)c1=O)C3 ZINC000002327362 569375490 /nfs/dbraw/zinc/37/54/90/569375490.db2.gz MMGZLGKPZVRPCP-MDSTYGKASA-N -1 0 415.877 3.582 50 0 HHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccco2)ccc1F ZINC000012525795 569401748 /nfs/dbraw/zinc/40/17/48/569401748.db2.gz QZPFMTCXQNTMRM-UHFFFAOYSA-N -1 0 402.447 3.800 50 0 HHAARM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@@H]1c1ccccc1 ZINC000013109408 569409314 /nfs/dbraw/zinc/40/93/14/569409314.db2.gz XYOWVOQYORCUKY-JKIFEVAISA-N -1 0 414.474 3.701 50 0 HHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc1 ZINC000013358273 569411621 /nfs/dbraw/zinc/41/16/21/569411621.db2.gz ANIRJPMQROCXLN-UHFFFAOYSA-N -1 0 418.496 3.715 50 0 HHAARM C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000028724788 571037708 /nfs/dbraw/zinc/03/77/08/571037708.db2.gz MKSHBNBKSFQBPI-CQSZACIVSA-N -1 0 400.442 3.855 50 0 HHAARM [O-]C(c1cccs1)=C1[C@H](c2ccccc2Cl)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000008763674 571114695 /nfs/dbraw/zinc/11/46/95/571114695.db2.gz KKZCBLLRQNFTEP-HUBLWGQQSA-N -1 0 420.865 3.670 50 0 HHAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)c1 ZINC000008840889 571124213 /nfs/dbraw/zinc/12/42/13/571124213.db2.gz KCYXQRWHXUIUHC-UHFFFAOYSA-N -1 0 416.543 3.994 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000009002294 571209809 /nfs/dbraw/zinc/20/98/09/571209809.db2.gz BUGDRIBDGNQPDK-UHFFFAOYSA-N -1 0 421.496 3.896 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)cc1C ZINC000009356428 571251184 /nfs/dbraw/zinc/25/11/84/571251184.db2.gz CJKXTCVXKHWSIT-UHFFFAOYSA-N -1 0 402.516 3.821 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009406945 571255450 /nfs/dbraw/zinc/25/54/50/571255450.db2.gz DRLYCWCWHVGUEO-LBPRGKRZSA-N -1 0 422.528 3.718 50 0 HHAARM COc1ccc(Cl)cc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccccc2Cl)=NO1 ZINC000009410280 571255747 /nfs/dbraw/zinc/25/57/47/571255747.db2.gz GXSZCVWCYZDCCF-IBGZPJMESA-N -1 0 423.252 3.979 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CC3)ccc2Cl)cc1 ZINC000009467883 571261264 /nfs/dbraw/zinc/26/12/64/571261264.db2.gz ZVBGDRBVDYOMBS-LBPRGKRZSA-N -1 0 408.907 3.678 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)n1C ZINC000009685061 571279694 /nfs/dbraw/zinc/27/96/94/571279694.db2.gz ZCRARMIXNSVIEP-UHFFFAOYSA-N -1 0 403.548 3.686 50 0 HHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)n1C ZINC000009685039 571279719 /nfs/dbraw/zinc/27/97/19/571279719.db2.gz QXPATKPKTQVAIW-UHFFFAOYSA-N -1 0 403.548 3.686 50 0 HHAARM Cc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c1C ZINC000009828719 571286950 /nfs/dbraw/zinc/28/69/50/571286950.db2.gz WGJIRHZCLVTYPL-UHFFFAOYSA-N -1 0 401.513 3.742 50 0 HHAARM O=C1[N-]C(=O)[C@](CCc2ccncc2)(Cc2cccs2)C(=O)N1c1ccccc1F ZINC000001131070 960458678 /nfs/dbraw/zinc/45/86/78/960458678.db2.gz UAVMQYLJECCFPH-QFIPXVFZSA-N -1 0 423.469 3.931 50 0 HHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000002857808 960474717 /nfs/dbraw/zinc/47/47/17/960474717.db2.gz DAGYTGGBYWXSKA-QFIPXVFZSA-N -1 0 420.490 3.809 50 0 HHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000005737728 960773245 /nfs/dbraw/zinc/77/32/45/960773245.db2.gz QKIBAQBTENGBJK-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM CCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(CCC)c1=O ZINC000005739103 960774486 /nfs/dbraw/zinc/77/44/86/960774486.db2.gz UWVUVQNCGITZQD-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)cc1 ZINC000005817263 960787040 /nfs/dbraw/zinc/78/70/40/960787040.db2.gz ZRUDIEJUTYULOU-UHFFFAOYSA-N -1 0 408.454 3.792 50 0 HHAARM C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1OC ZINC000008033610 961407176 /nfs/dbraw/zinc/40/71/76/961407176.db2.gz YHXJWNSJGHOAAD-LJIKRCSCSA-N -1 0 402.472 3.575 50 0 HHAARM CCCOc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OC ZINC000096792823 969051830 /nfs/dbraw/zinc/05/18/30/969051830.db2.gz XPOZTTMVNFOOHD-PTNGSMBKSA-N -1 0 406.438 3.836 50 0 HHAARM O=C([O-])CSc1nnc(C2CCCCC2)n1N=Cc1ccc(-n2ccnc2)cc1 ZINC000254500044 970574051 /nfs/dbraw/zinc/57/40/51/970574051.db2.gz REUKDZGPEXKDJG-UHFFFAOYSA-N -1 0 410.503 3.570 50 0 HHAARM Cc1cccc(N2CCN(c3ccc(NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)[O-])cc3)CC2)c1 ZINC000000627085 132229195 /nfs/dbraw/zinc/22/91/95/132229195.db2.gz HQXNNJIISHPTSI-PKTZIBPZSA-N -1 0 419.525 3.927 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2 ZINC000006779548 132315863 /nfs/dbraw/zinc/31/58/63/132315863.db2.gz CQCWHAIQUAFWFN-CYBMUJFWSA-N -1 0 406.529 3.652 50 0 HHAARM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1cccc(Cl)c1)C2=O ZINC000009434008 132339910 /nfs/dbraw/zinc/33/99/10/132339910.db2.gz KCCDTMBHJMQXMR-QHCPKHFHSA-N -1 0 419.868 3.755 50 0 HHAARM COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000013460513 132455631 /nfs/dbraw/zinc/45/56/31/132455631.db2.gz HXXOIVLERTZLGG-LJQANCHMSA-N -1 0 410.495 3.884 50 0 HHAARM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000032971113 518409082 /nfs/dbraw/zinc/40/90/82/518409082.db2.gz QMJBNGPVPPOKGG-UHFFFAOYSA-N -1 0 416.499 3.625 50 0 HHAARM CC(C)(C)c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2)cc1 ZINC000096399838 519013020 /nfs/dbraw/zinc/01/30/20/519013020.db2.gz ONRHIVYMAVKXBZ-MLPAPPSSSA-N -1 0 415.511 3.633 50 0 HHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239425908 520829035 /nfs/dbraw/zinc/82/90/35/520829035.db2.gz VLLUAGVDCRMXJZ-JPMPCMLZSA-N -1 0 418.559 3.828 50 0 HHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2cccc(Br)c2o1 ZINC000032924478 523571343 /nfs/dbraw/zinc/57/13/43/523571343.db2.gz DCXDPPUHNWCROT-UHFFFAOYSA-N -1 0 418.272 3.766 50 0 HHAARM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1)n1cccn1 ZINC000032600408 524271735 /nfs/dbraw/zinc/27/17/35/524271735.db2.gz ODJKHHJEFOOKNC-ZDUSSCGKSA-N -1 0 404.879 3.537 50 0 HHAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000045946924 524327462 /nfs/dbraw/zinc/32/74/62/524327462.db2.gz YIRJSFVFYPDBFF-UHFFFAOYSA-N -1 0 404.488 3.787 50 0 HHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1ccc2c1cccc2Br ZINC000040312756 526305784 /nfs/dbraw/zinc/30/57/84/526305784.db2.gz XEXCPYUXIPQUCV-KRWDZBQOSA-N -1 0 415.287 3.606 50 0 biogenic HHAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1NC(=O)Cc1cccs1 ZINC000045967732 526348896 /nfs/dbraw/zinc/34/88/96/526348896.db2.gz QZMCSTMXSGDFJF-UHFFFAOYSA-N -1 0 421.522 3.954 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017090767 527658073 /nfs/dbraw/zinc/65/80/73/527658073.db2.gz CDAQZPATSIGLSB-HUUCEWRRSA-N -1 0 416.543 3.905 50 0 HHAARM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000000622551 557019797 /nfs/dbraw/zinc/01/97/97/557019797.db2.gz DZTQIVSLOUQDBL-UHFFFAOYSA-N -1 0 417.512 3.578 50 0 HHAARM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000851340 557101099 /nfs/dbraw/zinc/10/10/99/557101099.db2.gz RRHHHKDCFKAYHL-NYYWCZLTSA-N -1 0 414.874 3.583 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000000890385 557112337 /nfs/dbraw/zinc/11/23/37/557112337.db2.gz ZGBSFGYLPBIQHZ-SFHVURJKSA-N -1 0 414.433 3.776 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)c1C ZINC000001088126 557176864 /nfs/dbraw/zinc/17/68/64/557176864.db2.gz RCBKTSYZYLPKRP-RTBURBONSA-N -1 0 411.483 3.834 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000001144067 557206407 /nfs/dbraw/zinc/20/64/07/557206407.db2.gz SXEQGMLSHXCSIS-UHFFFAOYSA-N -1 0 404.271 3.980 50 0 HHAARM CCSc1nnc([N-]C(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)s1 ZINC000002365005 557340746 /nfs/dbraw/zinc/34/07/46/557340746.db2.gz RFAOPJLZCZONBQ-UHFFFAOYSA-N -1 0 420.360 3.906 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000002757078 557380459 /nfs/dbraw/zinc/38/04/59/557380459.db2.gz UPNCJAGKAHYGAH-VXKWHMMOSA-N -1 0 404.510 3.587 50 0 HHAARM COc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000002838321 557400035 /nfs/dbraw/zinc/40/00/35/557400035.db2.gz BUWDNGGIMVSCOW-UHFFFAOYSA-N -1 0 420.421 3.663 50 0 HHAARM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002846382 557402716 /nfs/dbraw/zinc/40/27/16/557402716.db2.gz CYXFVRYKHFSZQY-UHFFFAOYSA-N -1 0 403.851 3.575 50 0 HHAARM O=C(CCc1nnc(-c2cccs2)[n-]c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000034768092 557462927 /nfs/dbraw/zinc/46/29/27/557462927.db2.gz HAKCAQHABLSOSP-UHFFFAOYSA-N -1 0 408.405 3.574 50 0 HHAARM O=C([O-])CCSc1nnc(COc2cccc3cccnc32)n1-c1ccccc1 ZINC000004247993 557531887 /nfs/dbraw/zinc/53/18/87/557531887.db2.gz TZMZWMVZCRTASN-UHFFFAOYSA-N -1 0 406.467 3.961 50 0 HHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004628391 557574013 /nfs/dbraw/zinc/57/40/13/557574013.db2.gz PBOVIXZMMDUONI-UPJWGTAASA-N -1 0 406.548 3.828 50 0 HHAARM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000004742240 557591189 /nfs/dbraw/zinc/59/11/89/557591189.db2.gz OFZDBNJFOPNPTC-LJQANCHMSA-N -1 0 422.572 3.582 50 0 HHAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002760364 557758419 /nfs/dbraw/zinc/75/84/19/557758419.db2.gz BSPMLFLFBDUHPG-KGLIPLIRSA-N -1 0 400.456 3.592 50 0 HHAARM Cc1cccc(Cn2cc([N-]S(=O)(=O)c3ccc(Br)s3)cn2)c1 ZINC000002804507 557763614 /nfs/dbraw/zinc/76/36/14/557763614.db2.gz BTSVXZYNRQXQAL-UHFFFAOYSA-N -1 0 412.334 3.865 50 0 HHAARM CCOc1ccc2nc(SCC(=O)NCc3ccc(C(=O)[O-])cc3)sc2c1 ZINC000009026875 557819909 /nfs/dbraw/zinc/81/99/09/557819909.db2.gz XQNWRJJWMKVCJG-UHFFFAOYSA-N -1 0 402.497 3.802 50 0 HHAARM CCCCC(=O)N[C@]([N-]c1nc2ccc(F)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009320679 557836580 /nfs/dbraw/zinc/83/65/80/557836580.db2.gz LXCHKJVKUPIUAL-INIZCTEOSA-N -1 0 421.416 3.975 50 0 HHAARM [O-]c1c([C@H](c2ccccc2Cl)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851860 557839538 /nfs/dbraw/zinc/83/95/38/557839538.db2.gz NRZGKBLVCFWMQZ-HNNXBMFYSA-N -1 0 416.890 3.831 50 0 HHAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854321 557840810 /nfs/dbraw/zinc/84/08/10/557840810.db2.gz STBBWQDWOLTAKK-BFQNTYOBSA-N -1 0 406.939 3.911 50 0 HHAARM CCOC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000013460447 558263887 /nfs/dbraw/zinc/26/38/87/558263887.db2.gz SDTHCQSMZRGOAK-LJQANCHMSA-N -1 0 410.495 3.966 50 0 HHAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccn(C)n3)cc(C(F)(F)F)c12 ZINC000020615573 558392559 /nfs/dbraw/zinc/39/25/59/558392559.db2.gz UERIWECZRFMMOR-UHFFFAOYSA-N -1 0 401.348 3.846 50 0 HHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000020760935 558411260 /nfs/dbraw/zinc/41/12/60/558411260.db2.gz WYYCUXZUXHVWDV-LJQANCHMSA-N -1 0 405.479 3.646 50 0 biogenic HHAARM COCc1cc(C)nc2sc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)c(N)c21 ZINC000004413905 558524143 /nfs/dbraw/zinc/52/41/43/558524143.db2.gz WFSQZKWQEJAYJE-UHFFFAOYSA-N -1 0 405.863 3.937 50 0 HHAARM O=C([O-])c1cn([C@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)nn1 ZINC000400212785 558633278 /nfs/dbraw/zinc/63/32/78/558633278.db2.gz CWGQWEGKXXMZQF-HNNXBMFYSA-N -1 0 418.453 3.562 50 0 HHAARM O=C([O-])c1cn([C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)nn1 ZINC000400212787 558633337 /nfs/dbraw/zinc/63/33/37/558633337.db2.gz CWGQWEGKXXMZQF-OAHLLOKOSA-N -1 0 418.453 3.562 50 0 HHAARM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cc2NC1=O ZINC000028810687 558704994 /nfs/dbraw/zinc/70/49/94/558704994.db2.gz STJYRXAKZWLBAQ-QMMMGPOBSA-N -1 0 420.796 3.879 50 0 HHAARM COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000004570382 558735347 /nfs/dbraw/zinc/73/53/47/558735347.db2.gz OTCCCUZGVIZLFG-OAHLLOKOSA-N -1 0 402.472 3.698 50 0 HHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004580897 558766870 /nfs/dbraw/zinc/76/68/70/558766870.db2.gz CILSRTZKYUYYAB-FBXSJCODSA-N -1 0 401.503 3.942 50 0 HHAARM Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000001196209 558775985 /nfs/dbraw/zinc/77/59/85/558775985.db2.gz RCWFWNYUBFNRRX-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004820969 558781002 /nfs/dbraw/zinc/78/10/02/558781002.db2.gz AWOAFAXLVFCJHV-UXHICEINSA-N -1 0 404.466 3.885 50 0 HHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)s1 ZINC000016448673 558791956 /nfs/dbraw/zinc/79/19/56/558791956.db2.gz LFQNLJJJFQLJOJ-UHFFFAOYSA-N -1 0 421.479 3.684 50 0 HHAARM NC(=O)c1c(SCc2c(Cl)cccc2Cl)sc2c1[nH]c(=O)cc2[O-] ZINC000036360065 558799446 /nfs/dbraw/zinc/79/94/46/558799446.db2.gz COCPKICEGHOEEP-UHFFFAOYSA-N -1 0 401.296 3.993 50 0 HHAARM CC[C@@H](C(=O)Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1ccccc1 ZINC000017015786 558811872 /nfs/dbraw/zinc/81/18/72/558811872.db2.gz BELVPDMYGDBLTR-GOSISDBHSA-N -1 0 401.470 3.747 50 0 HHAARM COc1ccc(OC)c(-n2c(=O)cc([O-])nc2SCc2ccccc2Cl)c1 ZINC000017086427 558816026 /nfs/dbraw/zinc/81/60/26/558816026.db2.gz JWKVWUKYDSLWMT-UHFFFAOYSA-N -1 0 404.875 3.901 50 0 HHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)C1 ZINC000017089201 558817710 /nfs/dbraw/zinc/81/77/10/558817710.db2.gz OMEPNOWTLKSYRM-SJORKVTESA-N -1 0 412.511 3.824 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000017090761 558819396 /nfs/dbraw/zinc/81/93/96/558819396.db2.gz SAGPQNGYCCGCHP-LSDHHAIUSA-N -1 0 416.543 3.859 50 0 HHAARM COC(=O)c1c2c(sc1NC(=O)CSCC(=O)[O-])C[C@H](c1ccccc1)CC2 ZINC000017091882 558820367 /nfs/dbraw/zinc/82/03/67/558820367.db2.gz DQELZFBOIXYFRQ-CYBMUJFWSA-N -1 0 419.524 3.564 50 0 HHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000023023467 558865040 /nfs/dbraw/zinc/86/50/40/558865040.db2.gz ITHOSPDXAGWUAV-UHFFFAOYSA-N -1 0 417.288 3.501 50 0 HHAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000033253648 558921924 /nfs/dbraw/zinc/92/19/24/558921924.db2.gz JLAKTRLVDJBLEH-UHFFFAOYSA-N -1 0 412.895 3.694 50 0 HHAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000033253899 558921998 /nfs/dbraw/zinc/92/19/98/558921998.db2.gz BKRAKRYIUOTRRQ-UHFFFAOYSA-N -1 0 414.458 3.961 50 0 HHAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(C)CC1 ZINC000033253894 558922011 /nfs/dbraw/zinc/92/20/11/558922011.db2.gz DRUVARZDSFTIKM-UHFFFAOYSA-N -1 0 406.479 3.869 50 0 HHAARM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000033253962 558922155 /nfs/dbraw/zinc/92/21/55/558922155.db2.gz IUFSWYMSGJZZDL-OAHLLOKOSA-N -1 0 402.516 3.984 50 0 HHAARM O=C([O-])CCCn1c(/C=C/c2cc(Br)co2)nc2ccccc2c1=O ZINC000058406648 558924560 /nfs/dbraw/zinc/92/45/60/558924560.db2.gz ISAXGIMLQQAJOE-BQYQJAHWSA-N -1 0 403.232 3.787 50 0 HHAARM O=C(Nc1ccccc1Cl)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097125453 558995938 /nfs/dbraw/zinc/99/59/38/558995938.db2.gz PBJQMHDKIHIFCE-UHFFFAOYSA-N -1 0 419.872 3.933 50 0 HHAARM O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(OC2CCCC2)cc1 ZINC000004745743 559046531 /nfs/dbraw/zinc/04/65/31/559046531.db2.gz FPPLIUTYUUHIII-HXUWFJFHSA-N -1 0 403.500 3.643 50 0 HHAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000033307973 559052252 /nfs/dbraw/zinc/05/22/52/559052252.db2.gz UHGYQHYTRHTIPX-UHFFFAOYSA-N -1 0 423.473 3.886 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000004865489 559193792 /nfs/dbraw/zinc/19/37/92/559193792.db2.gz CVECFGFIMQQLRT-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM CSc1nnc2c(n1)O[C@@H](c1c(C)[n-]n(-c3ccccc3)c1=O)Nc1ccccc1-2 ZINC000100445073 559202183 /nfs/dbraw/zinc/20/21/83/559202183.db2.gz ANFZYVWQEIFSGG-SFHVURJKSA-N -1 0 418.482 3.963 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N4CCCCC4)c3=O)c2c1 ZINC000004951540 559215827 /nfs/dbraw/zinc/21/58/27/559215827.db2.gz ADXNDIMEAHPUMX-UHFFFAOYSA-N -1 0 414.531 3.732 50 0 HHAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)cc1 ZINC000100534693 559221304 /nfs/dbraw/zinc/22/13/04/559221304.db2.gz QCNZJTLEMTXFRE-UHFFFAOYSA-N -1 0 408.454 3.792 50 0 HHAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(C)cc3)[n-]c2=O)cc1 ZINC000005082051 559242685 /nfs/dbraw/zinc/24/26/85/559242685.db2.gz BAASGJPUDTUANV-UHFFFAOYSA-N -1 0 410.499 3.604 50 0 HHAARM O=[P@@]([O-])(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003188479 560588731 /nfs/dbraw/zinc/58/87/31/560588731.db2.gz PSZXFYKWYZMQPZ-JOCHJYFZSA-N -1 0 420.409 3.900 50 0 HHAARM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000006161656 560740202 /nfs/dbraw/zinc/74/02/02/560740202.db2.gz DHYLACOCEYURFT-UHFFFAOYSA-N -1 0 424.478 3.603 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1I ZINC000008107718 560753656 /nfs/dbraw/zinc/75/36/56/560753656.db2.gz SXXBCXNFRBNRFK-UHFFFAOYSA-N -1 0 409.195 3.679 50 0 HHAARM CCc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(OC)c2)c1=O ZINC000101722242 560798760 /nfs/dbraw/zinc/79/87/60/560798760.db2.gz JABMHGYIOZUCIM-UHFFFAOYSA-N -1 0 415.449 3.915 50 0 HHAARM Cc1cc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)ccc1F ZINC000101722775 560799027 /nfs/dbraw/zinc/79/90/27/560799027.db2.gz HDAULNTWTAVQKB-UHFFFAOYSA-N -1 0 403.413 3.850 50 0 HHAARM O=C(Nc1cc(F)ccc1F)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722825 560799030 /nfs/dbraw/zinc/79/90/30/560799030.db2.gz IBKLTXKTVUCRIX-UHFFFAOYSA-N -1 0 407.376 3.681 50 0 HHAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1F ZINC000101722998 560799122 /nfs/dbraw/zinc/79/91/22/560799122.db2.gz SJNHASJUTBEOLW-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM CCOc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101767190 560799924 /nfs/dbraw/zinc/79/99/24/560799924.db2.gz JWWDYKFSEHPDFJ-SFHVURJKSA-N -1 0 423.494 3.536 50 0 HHAARM O=c1c2ccccc2cnn1Cc1n[n-]c(=S)n1-c1ccccc1C(F)(F)F ZINC000005706325 560801258 /nfs/dbraw/zinc/80/12/58/560801258.db2.gz IBCBBTNSMHLWNE-UHFFFAOYSA-N -1 0 403.389 3.707 50 0 HHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccs2)cc1 ZINC000101835720 560803330 /nfs/dbraw/zinc/80/33/30/560803330.db2.gz SUBYBDYXXAQACK-MRXNPFEDSA-N -1 0 410.455 3.579 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@H](c2ccccc2Cl)C1 ZINC000101835988 560803497 /nfs/dbraw/zinc/80/34/97/560803497.db2.gz KTQCUFKRPKMLHR-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1cccc(Cl)c1 ZINC000101836612 560803710 /nfs/dbraw/zinc/80/37/10/560803710.db2.gz VPDPTNKQAUYXHJ-QGZVFWFLSA-N -1 0 424.844 3.781 50 0 HHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2ccccc2F)C1 ZINC000102820682 560829541 /nfs/dbraw/zinc/82/95/41/560829541.db2.gz WLMFDBKTFBEPAY-KRWDZBQOSA-N -1 0 412.808 3.911 50 0 HHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)cc1C ZINC000102901279 560834933 /nfs/dbraw/zinc/83/49/33/560834933.db2.gz GIELAGJCIDFKOF-IBGZPJMESA-N -1 0 406.417 3.875 50 0 HHAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301808 560851372 /nfs/dbraw/zinc/85/13/72/560851372.db2.gz KTTHJNDLLIFJPC-UHFFFAOYSA-N -1 0 405.841 3.675 50 0 HHAARM C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012211682 560892338 /nfs/dbraw/zinc/89/23/38/560892338.db2.gz RMCITOYTRJASSN-NSHDSACASA-N -1 0 413.326 3.788 50 0 HHAARM COc1ccc(OC)c(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000024452342 568511849 /nfs/dbraw/zinc/51/18/49/568511849.db2.gz SKFBQMBPDSDPME-UHFFFAOYSA-N -1 0 409.813 3.855 50 0 HHAARM CC(C)(C)c1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000024767995 568514051 /nfs/dbraw/zinc/51/40/51/568514051.db2.gz QXSUZAJPLJXJEG-UHFFFAOYSA-N -1 0 410.514 3.946 50 0 HHAARM CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc21 ZINC000020516073 568623698 /nfs/dbraw/zinc/62/36/98/568623698.db2.gz REYHLRLBPNQCKF-LLVKDONJSA-N -1 0 414.405 3.640 50 0 HHAARM O=C([O-])c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccccc2)cc1 ZINC000020619383 568638413 /nfs/dbraw/zinc/63/84/13/568638413.db2.gz ISMLBMOCJICDPO-RWEWTDSWSA-N -1 0 414.417 3.999 50 0 HHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(N(CC)CC)cc1C ZINC000020940550 568652663 /nfs/dbraw/zinc/65/26/63/568652663.db2.gz VPGNYTQPAIBJQX-UHFFFAOYSA-N -1 0 407.536 3.764 50 0 HHAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000096361101 568738942 /nfs/dbraw/zinc/73/89/42/568738942.db2.gz FERNQEIAOWPRQU-UHFFFAOYSA-N -1 0 404.879 3.733 50 0 HHAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)c2C)o1 ZINC000096379441 568740891 /nfs/dbraw/zinc/74/08/91/568740891.db2.gz IFZDFTLHDITWSC-UHFFFAOYSA-N -1 0 410.883 3.707 50 0 HHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)o1 ZINC000096379574 568741192 /nfs/dbraw/zinc/74/11/92/568741192.db2.gz OAOVAUAMNSLUBP-UHFFFAOYSA-N -1 0 416.381 3.689 50 0 HHAARM CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c23)CO1 ZINC000000986166 568760539 /nfs/dbraw/zinc/76/05/39/568760539.db2.gz NYLJCDXURTYVJS-AWEZNQCLSA-N -1 0 416.524 3.721 50 0 HHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000001072818 568768303 /nfs/dbraw/zinc/76/83/03/568768303.db2.gz JZJQBTXPIBBIKJ-HUUCEWRRSA-N -1 0 412.408 3.925 50 0 HHAARM O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000225635644 568777649 /nfs/dbraw/zinc/77/76/49/568777649.db2.gz QJTBXZNERGHOPB-OAQYLSRUSA-N -1 0 418.424 3.943 50 0 HHAARM CC(C)C[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002948515 568820320 /nfs/dbraw/zinc/82/03/20/568820320.db2.gz MAORSCWMXCIWTC-LJLZWOEMSA-N -1 0 414.889 3.726 50 0 HHAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NCCc1ccc(Cl)cc1 ZINC000002971798 568831911 /nfs/dbraw/zinc/83/19/11/568831911.db2.gz BMGUGSLKZSWSMB-UHFFFAOYSA-N -1 0 401.919 3.852 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC000012526308 568843234 /nfs/dbraw/zinc/84/32/34/568843234.db2.gz VQOIFVZCGRBPKL-UHFFFAOYSA-N -1 0 410.495 3.768 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1N1CCCC1=O ZINC000012536086 568845465 /nfs/dbraw/zinc/84/54/65/568845465.db2.gz MEIYROVXYVQUMY-UHFFFAOYSA-N -1 0 415.298 3.930 50 0 HHAARM Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012548005 568851062 /nfs/dbraw/zinc/85/10/62/568851062.db2.gz QODMAHCLULSOMA-UHFFFAOYSA-N -1 0 403.510 3.798 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1N1CCCC1=O ZINC000012560804 568858148 /nfs/dbraw/zinc/85/81/48/568858148.db2.gz QJXFCIKRNAGAPG-UHFFFAOYSA-N -1 0 415.298 3.930 50 0 HHAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@@H](c1ccc3c(c1)OCO3)C2 ZINC000299755648 568872759 /nfs/dbraw/zinc/87/27/59/568872759.db2.gz GJZAXDKJZNSOLF-HXUWFJFHSA-N -1 0 407.447 3.962 50 0 HHAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000003323869 568880868 /nfs/dbraw/zinc/88/08/68/568880868.db2.gz PZXRPNJLUPLUDK-UHFFFAOYSA-N -1 0 420.270 3.598 50 0 HHAARM COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1c([O-])c2ccccc2oc1=O ZINC000217829492 568914680 /nfs/dbraw/zinc/91/46/80/568914680.db2.gz RGTOSLBSCPJQAN-LBPRGKRZSA-N -1 0 402.786 3.576 50 0 biogenic HHAARM O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000001415014 568933756 /nfs/dbraw/zinc/93/37/56/568933756.db2.gz PHMFCCVODGXEJB-UHFFFAOYSA-N -1 0 413.402 3.738 50 0 HHAARM Cc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000004061215 568937245 /nfs/dbraw/zinc/93/72/45/568937245.db2.gz FHXZYRJLEANPQB-QGZVFWFLSA-N -1 0 411.556 3.778 50 0 HHAARM O=C([O-])c1cccc(CN2C(=O)S[C@H](Nc3ccc(Br)cc3)C2=O)c1 ZINC000004164518 568947679 /nfs/dbraw/zinc/94/76/79/568947679.db2.gz MGXFEKPLNRRXGL-AWEZNQCLSA-N -1 0 421.272 3.781 50 0 HHAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1 ZINC000004317412 568962655 /nfs/dbraw/zinc/96/26/55/568962655.db2.gz IYRHDWHQGOETLN-UHFFFAOYSA-N -1 0 410.499 3.606 50 0 HHAARM O=c1nc(CSc2nnc(Cc3cccs3)n2C2CC2)[n-]c2ccsc21 ZINC000008132864 568976020 /nfs/dbraw/zinc/97/60/20/568976020.db2.gz YSQLMHWCDBVDCX-UHFFFAOYSA-N -1 0 401.542 3.856 50 0 HHAARM CCCCCCn1nc(C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2c1=O ZINC000008279186 568987377 /nfs/dbraw/zinc/98/73/77/568987377.db2.gz WINQMZHXPJXIMH-UHFFFAOYSA-N -1 0 407.470 3.605 50 0 HHAARM COc1ccc(-c2nnnn2C(C)C)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000001464698 568990112 /nfs/dbraw/zinc/99/01/12/568990112.db2.gz FKZOPQOTIOWUBD-UHFFFAOYSA-N -1 0 423.498 3.884 50 0 HHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N[C@H](C)C(=O)[O-])c(=O)oc12 ZINC000006075912 568992868 /nfs/dbraw/zinc/99/28/68/568992868.db2.gz RLVOAJQNWBQBHT-CYBMUJFWSA-N -1 0 413.470 3.975 50 0 HHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000015781930 569002890 /nfs/dbraw/zinc/00/28/90/569002890.db2.gz ORJREGIEABNCGV-INIZCTEOSA-N -1 0 404.850 3.963 50 0 HHAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000006116491 569005038 /nfs/dbraw/zinc/00/50/38/569005038.db2.gz PTAIOKLOMSETNJ-HOTGVXAUSA-N -1 0 421.885 3.588 50 0 HHAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000006116492 569005057 /nfs/dbraw/zinc/00/50/57/569005057.db2.gz PTAIOKLOMSETNJ-JKSUJKDBSA-N -1 0 421.885 3.588 50 0 HHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002460310 569031823 /nfs/dbraw/zinc/03/18/23/569031823.db2.gz XDHGARGYXACULJ-UHFFFAOYSA-N -1 0 402.453 3.530 50 0 HHAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000261340537 569039393 /nfs/dbraw/zinc/03/93/93/569039393.db2.gz RHCPKKNRWFXMAT-FPJVBILUSA-N -1 0 406.563 3.657 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccccc2F)c1 ZINC000006316903 569040307 /nfs/dbraw/zinc/04/03/07/569040307.db2.gz SOKQGEPRJOQRQE-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM COc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000006471392 569058046 /nfs/dbraw/zinc/05/80/46/569058046.db2.gz ZYTHCXVEIMHMTJ-INIZCTEOSA-N -1 0 410.495 3.987 50 0 HHAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000035829519 569061864 /nfs/dbraw/zinc/06/18/64/569061864.db2.gz GDWIRXABLNZBTB-ODLFYWEKSA-N -1 0 424.407 3.511 50 0 HHAARM CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000035882637 569064539 /nfs/dbraw/zinc/06/45/39/569064539.db2.gz NMRMMCZURGCYED-UYKWBWIZSA-N -1 0 403.519 3.727 50 0 HHAARM CCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589775 569069073 /nfs/dbraw/zinc/06/90/73/569069073.db2.gz HRIJIQNAYVRAIN-UHFFFAOYSA-N -1 0 413.493 3.975 50 0 HHAARM CC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589836 569069101 /nfs/dbraw/zinc/06/91/01/569069101.db2.gz JWCIYACPGAECPT-UHFFFAOYSA-N -1 0 413.493 3.831 50 0 HHAARM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004411669 569071294 /nfs/dbraw/zinc/07/12/94/569071294.db2.gz CQSFPBDUSNVLFL-UHFFFAOYSA-N -1 0 405.526 3.918 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)cc1 ZINC000064820326 569102593 /nfs/dbraw/zinc/10/25/93/569102593.db2.gz VQHKVLVVVCPBBC-UHFFFAOYSA-N -1 0 420.513 3.975 50 0 HHAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000064947319 569129297 /nfs/dbraw/zinc/12/92/97/569129297.db2.gz IDEBHILEVCETFH-UHFFFAOYSA-N -1 0 419.890 3.715 50 0 HHAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000036352798 569147453 /nfs/dbraw/zinc/14/74/53/569147453.db2.gz ZALKRDBBXDBIAL-QHCPKHFHSA-N -1 0 406.482 3.806 50 0 HHAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036357865 569149310 /nfs/dbraw/zinc/14/93/10/569149310.db2.gz IXEXXFJRTCMAIZ-JOCHJYFZSA-N -1 0 406.482 3.957 50 0 HHAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C(=O)[O-] ZINC000036359002 569150382 /nfs/dbraw/zinc/15/03/82/569150382.db2.gz QQXFIPCLLMWGLR-BMIGLBTASA-N -1 0 416.421 3.867 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866713 569158934 /nfs/dbraw/zinc/15/89/34/569158934.db2.gz KVGTUKGXIBRMRY-GFCCVEGCSA-N -1 0 420.918 3.837 50 0 HHAARM O=S(=O)([N-]c1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1cccs1 ZINC000065096401 569176361 /nfs/dbraw/zinc/17/63/61/569176361.db2.gz JZSUBZNRVRNEBE-UHFFFAOYSA-N -1 0 423.479 3.932 50 0 HHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000065116076 569179650 /nfs/dbraw/zinc/17/96/50/569179650.db2.gz LXLXXVDKEKNASJ-UHFFFAOYSA-N -1 0 415.471 3.726 50 0 HHAARM O=C(Nc1ccc(F)cc1Cl)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249959 569206010 /nfs/dbraw/zinc/20/60/10/569206010.db2.gz LQDZKOLWRRUJPH-UHFFFAOYSA-N -1 0 416.771 3.603 50 0 HHAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccc1Br ZINC000036623987 569212664 /nfs/dbraw/zinc/21/26/64/569212664.db2.gz JJAHKVQQCFCQHI-PBHICJAKSA-N -1 0 424.316 3.825 50 0 HHAARM O=C(c1cc(-c2nc3ccccc3c(=O)[nH]2)n(C[C@H]2CCCO2)c1)c1ccccc1[O-] ZINC000010024985 569252782 /nfs/dbraw/zinc/25/27/82/569252782.db2.gz CTSYYEPKHUSJOI-MRXNPFEDSA-N -1 0 415.449 3.507 50 0 HHAARM O=C(c1cc(-c2nc3ccccc3c(=O)[nH]2)n(C[C@@H]2CCCO2)c1)c1ccccc1[O-] ZINC000010024949 569252840 /nfs/dbraw/zinc/25/28/40/569252840.db2.gz CTSYYEPKHUSJOI-INIZCTEOSA-N -1 0 415.449 3.507 50 0 HHAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)N2c3ccccc3C[C@@H]2C)cc1)C(=O)[O-] ZINC000013579145 569256329 /nfs/dbraw/zinc/25/63/29/569256329.db2.gz HWPJCCUFGCCRMK-GOFCXVBSSA-N -1 0 410.495 3.726 50 0 HHAARM COc1ccc(CNC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000016839934 569264418 /nfs/dbraw/zinc/26/44/18/569264418.db2.gz JJKSSLCLHKQQFR-UHFFFAOYSA-N -1 0 400.434 3.635 50 0 HHAARM CC(C)(CC(=O)NCCCc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000017112964 569274948 /nfs/dbraw/zinc/27/49/48/569274948.db2.gz WSTJYGJOXFLVMR-UHFFFAOYSA-N -1 0 413.543 3.564 50 0 HHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N3CCCC[C@@H]3C(=O)[O-])c(=O)oc1c2C ZINC000002105118 569282296 /nfs/dbraw/zinc/28/22/96/569282296.db2.gz CCSSXUDVOBZNBS-GOSISDBHSA-N -1 0 411.454 3.863 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)NCC(=O)[O-])c(C)c2oc1=O ZINC000002107319 569283190 /nfs/dbraw/zinc/28/31/90/569283190.db2.gz SVKOVRJLJPRRDJ-OAHLLOKOSA-N -1 0 403.475 3.501 50 0 biogenic HHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCCC(=O)[O-])c(=O)oc12 ZINC000002113600 569284197 /nfs/dbraw/zinc/28/41/97/569284197.db2.gz BZQVIMZPDNDKCZ-UHFFFAOYSA-N -1 0 413.470 3.977 50 0 biogenic HHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002114268 569284485 /nfs/dbraw/zinc/28/44/85/569284485.db2.gz YFWLXKWGIGHCGH-UHFFFAOYSA-N -1 0 423.396 3.787 50 0 biogenic HHAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002115369 569284605 /nfs/dbraw/zinc/28/46/05/569284605.db2.gz VVPRVDBJYINBQH-UHFFFAOYSA-N -1 0 405.406 3.566 50 0 biogenic HHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002115421 569284650 /nfs/dbraw/zinc/28/46/50/569284650.db2.gz NFGFAZWYUHTRMP-ZDUSSCGKSA-N -1 0 419.433 3.955 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)cc2oc1=O ZINC000002129691 569286518 /nfs/dbraw/zinc/28/65/18/569286518.db2.gz SKNUVNOMYZLYKI-NRFANRHFSA-N -1 0 417.502 3.828 50 0 biogenic HHAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000007728463 569303676 /nfs/dbraw/zinc/30/36/76/569303676.db2.gz RJKRLZZFLMMFRH-SJLPKXTDSA-N -1 0 416.543 3.910 50 0 HHAARM Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)cnn1-c1ccccc1F ZINC000253424320 569368039 /nfs/dbraw/zinc/36/80/39/569368039.db2.gz DLTJIPRPZVGUMV-UHFFFAOYSA-N -1 0 415.368 3.845 50 0 HHAARM CCCCOc1ccc(S(=O)(=O)[N-]C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000002335009 569376004 /nfs/dbraw/zinc/37/60/04/569376004.db2.gz PHHWPFHJNACFMN-UHFFFAOYSA-N -1 0 420.531 3.841 50 0 HHAARM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000011990518 569399295 /nfs/dbraw/zinc/39/92/95/569399295.db2.gz YGRIUXIRCPCQKE-UHFFFAOYSA-N -1 0 424.526 3.774 50 0 HHAARM Cc1ccc([C@@H](CC(=O)[O-])Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000019804657 569430450 /nfs/dbraw/zinc/43/04/50/569430450.db2.gz WGLAIGWPGUCUNX-LJQANCHMSA-N -1 0 424.549 3.789 50 0 HHAARM COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C)C3)cc1 ZINC000000722407 571041350 /nfs/dbraw/zinc/04/13/50/571041350.db2.gz BZVPTVNXVSYXQP-GFCCVEGCSA-N -1 0 416.499 3.937 50 0 HHAARM CC(C)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000067245501 571053953 /nfs/dbraw/zinc/05/39/53/571053953.db2.gz PRACYNUNLKKHER-UHFFFAOYSA-N -1 0 402.451 3.725 50 0 HHAARM O=c1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)[n-]c2ccsc21 ZINC000008710432 571105088 /nfs/dbraw/zinc/10/50/88/571105088.db2.gz KKAQFQLBDISIDF-UHFFFAOYSA-N -1 0 424.555 3.848 50 0 HHAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Br)cc2)c1 ZINC000008769230 571116304 /nfs/dbraw/zinc/11/63/04/571116304.db2.gz GZTHPWKYZBFVCL-UHFFFAOYSA-N -1 0 413.680 3.928 50 0 HHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2-c2n[nH]c3c2CCC3)c1C ZINC000040146659 571196383 /nfs/dbraw/zinc/19/63/83/571196383.db2.gz BOXJMYSBWUSYOG-UHFFFAOYSA-N -1 0 411.483 3.681 50 0 HHAARM CC(C)CN1c2ccc([N-]S(=O)(=O)c3cccs3)cc2OCC(C)(C)C1=O ZINC000009168029 571233131 /nfs/dbraw/zinc/23/31/31/571233131.db2.gz ZOCHRKBTNAFWMY-UHFFFAOYSA-N -1 0 408.545 3.957 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(Br)s2)c(OC)cc1Cl ZINC000009356075 571251097 /nfs/dbraw/zinc/25/10/97/571251097.db2.gz WGUSJTCBRIYPSA-UHFFFAOYSA-N -1 0 412.714 3.982 50 0 HHAARM COc1ccc(NS(=O)(=O)c2ccc3oc([N-]c4cc(C)on4)nc3c2)cc1 ZINC000009366064 571252048 /nfs/dbraw/zinc/25/20/48/571252048.db2.gz HOPRRKJRFHWUHI-UHFFFAOYSA-N -1 0 400.416 3.677 50 0 HHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000009378633 571253506 /nfs/dbraw/zinc/25/35/06/571253506.db2.gz GCFAKUABVICDRM-UHFFFAOYSA-N -1 0 414.434 3.786 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc2ncsc2c1 ZINC000009635347 571275226 /nfs/dbraw/zinc/27/52/26/571275226.db2.gz JLPOKXBCIVTWJT-UHFFFAOYSA-N -1 0 416.509 3.806 50 0 HHAARM Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(C(=O)[O-])cc3)cc2)n1 ZINC000012488717 962289792 /nfs/dbraw/zinc/28/97/92/962289792.db2.gz KUODUWZWKXBVOD-UHFFFAOYSA-N -1 0 420.494 3.848 50 0 HHAARM O=C([O-])CCn1c(/C=C/c2csc(Br)c2)nc2ccccc2c1=O ZINC000029736901 965482012 /nfs/dbraw/zinc/48/20/12/965482012.db2.gz ACDZUBZJEWSVOS-AATRIKPKSA-N -1 0 405.273 3.866 50 0 HHAARM O=C(CCc1cc(=O)[n-]o1)Nc1ccccc1C=Cc1ccc2cccc(O)c2n1 ZINC000055269754 965800885 /nfs/dbraw/zinc/80/08/85/965800885.db2.gz AVLKHHQYBSGANU-CSKARUKUSA-N -1 0 401.422 3.963 50 0 HHAARM COc1cc(/C=C2/CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc(OC)c1O ZINC000084139912 969036382 /nfs/dbraw/zinc/03/63/82/969036382.db2.gz BVFADCRUDXDHLU-DHDCSXOGSA-N -1 0 412.438 3.864 50 0 HHAARM O=C([O-])Cn1ccnc1-c1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000089780602 969038470 /nfs/dbraw/zinc/03/84/70/969038470.db2.gz KQOIVZFCQCXRKG-DHZHZOJOSA-N -1 0 417.874 3.701 50 0 HHAARM C/C=C/C=C\C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000097990386 969182655 /nfs/dbraw/zinc/18/26/55/969182655.db2.gz OQLOCIITCVBXLY-DEQVHDEQSA-N -1 0 402.472 3.575 50 0 HHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1=O ZINC000004140208 132272114 /nfs/dbraw/zinc/27/21/14/132272114.db2.gz STOWRYGXJGGBRU-IBGZPJMESA-N -1 0 410.495 3.799 50 0 HHAARM CC[C@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948524 523975870 /nfs/dbraw/zinc/97/58/70/523975870.db2.gz XULKLGOEXBNQOD-JTQLQIEISA-N -1 0 406.558 3.512 50 0 HHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(Cl)cc21 ZINC000006893127 534801079 /nfs/dbraw/zinc/80/10/79/534801079.db2.gz YLMKOSNUQDWEPH-UHFFFAOYSA-N -1 0 401.271 3.540 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1Cl ZINC000020100661 525089104 /nfs/dbraw/zinc/08/91/04/525089104.db2.gz SHDVDPURXCGYDO-UHFFFAOYSA-N -1 0 408.907 3.776 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)c(Br)c1 ZINC000100662848 525228273 /nfs/dbraw/zinc/22/82/73/525228273.db2.gz MIMBVABARMBXJL-UHFFFAOYSA-N -1 0 413.271 3.977 50 0 HHAARM COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3N2)cc1OC ZINC000000867082 557106306 /nfs/dbraw/zinc/10/63/06/557106306.db2.gz JJDPPMCQLFWVDK-KWQFWETISA-N -1 0 405.760 3.912 50 0 HHAARM Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000953556 557125493 /nfs/dbraw/zinc/12/54/93/557125493.db2.gz KRUVZJXWRXSMFO-HXUWFJFHSA-N -1 0 411.479 3.762 50 0 HHAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001023984 557144488 /nfs/dbraw/zinc/14/44/88/557144488.db2.gz AJEZEVIUNROBKQ-UHFFFAOYSA-N -1 0 401.332 3.875 50 0 HHAARM O=C(c1ccncc1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000001061234 557164044 /nfs/dbraw/zinc/16/40/44/557164044.db2.gz MVHVAAATZDWQPV-UHFFFAOYSA-N -1 0 423.313 3.937 50 0 aggregator HHAARM Cc1c(NC(=O)c2ccccc2NC(=O)COc2ccccc2)cccc1C(=O)[O-] ZINC000001144574 557206727 /nfs/dbraw/zinc/20/67/27/557206727.db2.gz HGYWGQOLMPSENF-UHFFFAOYSA-N -1 0 404.422 3.963 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1c(Cl)cccc1Cl ZINC000001150966 557210986 /nfs/dbraw/zinc/21/09/86/557210986.db2.gz WUWGVLFDUBPWLL-UHFFFAOYSA-N -1 0 423.281 3.837 50 0 HHAARM CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000001156078 557213738 /nfs/dbraw/zinc/21/37/38/557213738.db2.gz ALOBHKZKIFYQSA-LMGFAJPXSA-N -1 0 409.441 3.956 50 0 HHAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000001175689 557227533 /nfs/dbraw/zinc/22/75/33/557227533.db2.gz RCDSKEGCHYBMJY-UHFFFAOYSA-N -1 0 422.293 3.976 50 0 HHAARM COC(=O)C(C)(C)[C@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccco1 ZINC000002376601 557342131 /nfs/dbraw/zinc/34/21/31/557342131.db2.gz NQARFGOSJHMIAE-CABCVRRESA-N -1 0 421.243 3.743 50 0 HHAARM CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000004472492 557556776 /nfs/dbraw/zinc/55/67/76/557556776.db2.gz FDYPYAPXFQIVQP-MHWRWJLKSA-N -1 0 400.818 3.530 50 0 HHAARM CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)[O-] ZINC000004521264 557563413 /nfs/dbraw/zinc/56/34/13/557563413.db2.gz ATUMDPHEFWGCJF-HNNXBMFYSA-N -1 0 414.886 3.714 50 0 HHAARM CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000005047504 557629672 /nfs/dbraw/zinc/62/96/72/557629672.db2.gz DQUKVRXAZRFLKT-UHFFFAOYSA-N -1 0 413.451 3.752 50 0 HHAARM COc1cc(NC(C)=O)c(OC)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000006186230 557693525 /nfs/dbraw/zinc/69/35/25/557693525.db2.gz OUCNTAJEESQYNO-UHFFFAOYSA-N -1 0 406.504 3.761 50 0 HHAARM CC(C)CCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973725 557775778 /nfs/dbraw/zinc/77/57/78/557775778.db2.gz VFONUYAVEJDGKF-UHFFFAOYSA-N -1 0 412.353 3.764 50 0 HHAARM O=C(NC1CCCC1)c1ccc(Cn2c(=S)[n-]c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002975451 557776863 /nfs/dbraw/zinc/77/68/63/557776863.db2.gz WOLVPSKOPHTUQM-UHFFFAOYSA-N -1 0 423.494 3.508 50 0 HHAARM [O-]c1c([C@H](c2cccc(Cl)c2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851906 557839557 /nfs/dbraw/zinc/83/95/57/557839557.db2.gz WOZMYVHYAVKMKB-HNNXBMFYSA-N -1 0 416.890 3.831 50 0 HHAARM CCc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854598 557842100 /nfs/dbraw/zinc/84/21/00/557842100.db2.gz XXGOKTJCFNQMQN-GOSISDBHSA-N -1 0 409.515 3.563 50 0 HHAARM Nc1cc(-c2ccc(N)cc2)nn1-c1ccc(Oc2ccccc2)c(S(=O)(=O)[O-])c1 ZINC000022014627 558457860 /nfs/dbraw/zinc/45/78/60/558457860.db2.gz ZTTSZPCOFXYLJD-UHFFFAOYSA-N -1 0 422.466 3.743 50 0 HHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000022101113 558463685 /nfs/dbraw/zinc/46/36/85/558463685.db2.gz NRIAQKXRSWWIOP-UHFFFAOYSA-N -1 0 406.847 3.747 50 0 HHAARM O=C([O-])C[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000022229311 558468190 /nfs/dbraw/zinc/46/81/90/558468190.db2.gz HURYDRANBZDEAQ-BCIXFCFJSA-N -1 0 414.461 3.790 50 0 HHAARM O=C([O-])c1cccc(-c2ccc(C[NH2+][C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c1 ZINC000012900927 558483699 /nfs/dbraw/zinc/48/36/99/558483699.db2.gz ZYUAMZZRLTXDDM-HXUWFJFHSA-N -1 0 404.422 3.912 50 0 biogenic HHAARM COc1ccc(NC(=O)c2ccc(C)nc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000022416152 558488305 /nfs/dbraw/zinc/48/83/05/558488305.db2.gz DLJHOOSLWDQHFD-UHFFFAOYSA-N -1 0 415.446 3.591 50 0 HHAARM COc1cccc(-c2cc(C(=O)[O-])n3nc4nc(C(F)(F)F)cc(C)c4c3n2)c1 ZINC000013645694 558556667 /nfs/dbraw/zinc/55/66/67/558556667.db2.gz BZTYQUOXMPABMH-UHFFFAOYSA-N -1 0 402.332 3.979 50 0 HHAARM CCCCNC(=O)CSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000013957229 558607895 /nfs/dbraw/zinc/60/78/95/558607895.db2.gz JICXGLLMFQXEAM-UHFFFAOYSA-N -1 0 423.538 3.664 50 0 HHAARM C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccc(Br)cc1 ZINC000025050106 558628478 /nfs/dbraw/zinc/62/84/78/558628478.db2.gz NGECBCXJZATONZ-LLVKDONJSA-N -1 0 418.316 3.699 50 0 HHAARM Cc1nc2ccccc2n1Cc1cc([N-]S(=O)(=O)c2cn(C)cn2)ccc1Cl ZINC000072275419 558701879 /nfs/dbraw/zinc/70/18/79/558701879.db2.gz BNTIBYLHXOPMPL-UHFFFAOYSA-N -1 0 415.906 3.581 50 0 HHAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1cccc2ccccc21 ZINC000004556451 558726102 /nfs/dbraw/zinc/72/61/02/558726102.db2.gz BHKCSEDVWIUVCH-YLJYHZDGSA-N -1 0 409.463 3.856 50 0 HHAARM O=C([O-])c1cn(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nn1 ZINC000400752650 558758060 /nfs/dbraw/zinc/75/80/60/558758060.db2.gz WBTDIGXOUCZPBM-UHFFFAOYSA-N -1 0 418.453 3.562 50 0 HHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000016095965 558771618 /nfs/dbraw/zinc/77/16/18/558771618.db2.gz FSOWMNMVOQEHSS-UHFFFAOYSA-N -1 0 424.478 3.951 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)[C@@H](C(=O)[O-])C1 ZINC000017089202 558817750 /nfs/dbraw/zinc/81/77/50/558817750.db2.gz OMEPNOWTLKSYRM-IRXDYDNUSA-N -1 0 412.511 3.824 50 0 HHAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000017089156 558817777 /nfs/dbraw/zinc/81/77/77/558817777.db2.gz NBCMBGKHRJMGEP-CVEARBPZSA-N -1 0 412.467 3.809 50 0 HHAARM COc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)[O-])sc2c1CCC2 ZINC000017090675 558819409 /nfs/dbraw/zinc/81/94/09/558819409.db2.gz NJXMNBYWORMEGH-LBPRGKRZSA-N -1 0 416.499 3.937 50 0 HHAARM COc1cccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C)C3)c1 ZINC000017090672 558819437 /nfs/dbraw/zinc/81/94/37/558819437.db2.gz FSYMEWGOSCPFJH-GFCCVEGCSA-N -1 0 416.499 3.937 50 0 HHAARM CSc1ncc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cn1 ZINC000001183145 558836532 /nfs/dbraw/zinc/83/65/32/558836532.db2.gz HAKAPFJRIBHHGR-LFYBBSHMSA-N -1 0 408.361 3.724 50 0 HHAARM CCn1c(SCC(=O)[O-])nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000072328132 558863083 /nfs/dbraw/zinc/86/30/83/558863083.db2.gz ZVXKELONAHBSHX-CQSZACIVSA-N -1 0 410.927 3.645 50 0 HHAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)[O-])c1 ZINC000033078541 558868084 /nfs/dbraw/zinc/86/80/84/558868084.db2.gz VSZLGTGHIGDFLP-UHFFFAOYSA-N -1 0 411.502 3.849 50 0 HHAARM O=C([O-])[C@H]1CC[C@H](c2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn32)C1 ZINC000170620157 558881291 /nfs/dbraw/zinc/88/12/91/558881291.db2.gz MZJANNJFIYBDHZ-KBPBESRZSA-N -1 0 420.856 3.926 50 0 HHAARM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc21 ZINC000058009378 558894903 /nfs/dbraw/zinc/89/49/03/558894903.db2.gz UZIOPHLJAFETGL-UHFFFAOYSA-N -1 0 414.531 3.662 50 0 HHAARM O=CSCCCCCCCCCCCOCCOCCOCCOCC(=O)[O-] ZINC000071773481 558911310 /nfs/dbraw/zinc/91/13/10/558911310.db2.gz HQIKYCFDGNDPNW-UHFFFAOYSA-N -1 0 422.584 3.572 50 0 HHAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@@H](C)C1 ZINC000033253966 558922270 /nfs/dbraw/zinc/92/22/70/558922270.db2.gz OFHOWPQRKYDIMS-CYBMUJFWSA-N -1 0 406.479 3.869 50 0 HHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)c1 ZINC000033263911 558968930 /nfs/dbraw/zinc/96/89/30/558968930.db2.gz YZYOPGGIJMTCQY-UHFFFAOYSA-N -1 0 400.334 3.957 50 0 HHAARM CC(C)C[C@H](NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2c1CCC2)C(=O)[O-] ZINC000097228868 559013319 /nfs/dbraw/zinc/01/33/19/559013319.db2.gz MUVNDLTVYIHRCR-HNNXBMFYSA-N -1 0 409.408 3.609 50 0 HHAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023156808 559022742 /nfs/dbraw/zinc/02/27/42/559022742.db2.gz QJPMUERUSYFBSM-LJQANCHMSA-N -1 0 405.527 3.716 50 0 HHAARM CC(C)OCCCNC(=O)CCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000004793181 559065809 /nfs/dbraw/zinc/06/58/09/559065809.db2.gz ISVZJNWSUGWASH-UHFFFAOYSA-N -1 0 419.572 3.985 50 0 HHAARM CCOCCCNC(=O)CCCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000004793219 559065827 /nfs/dbraw/zinc/06/58/27/559065827.db2.gz RCEWABMOULMXAQ-UHFFFAOYSA-N -1 0 419.572 3.987 50 0 HHAARM O=C([N-]n1c(=O)c2cc(Cl)ccc2[nH]c1=S)c1cccnc1Oc1ccccc1 ZINC000100253525 559133392 /nfs/dbraw/zinc/13/33/92/559133392.db2.gz IZRRQHZNPDQGJK-UHFFFAOYSA-N -1 0 424.869 3.910 50 0 HHAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000100668597 559137609 /nfs/dbraw/zinc/13/76/09/559137609.db2.gz ZMBKYQQBOOEPEQ-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM COc1ccc(-c2nc3c(nc(-c4cc(OC)c(O)c(OC)c4)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694750 559188346 /nfs/dbraw/zinc/18/83/46/559188346.db2.gz FIRIITOJBWODJX-UHFFFAOYSA-N -1 0 421.409 3.722 50 0 HHAARM Cc1cc(C)c(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)c(C)c1 ZINC000004853623 559192044 /nfs/dbraw/zinc/19/20/44/559192044.db2.gz XTPJZNLBGGRWON-UHFFFAOYSA-N -1 0 407.492 3.593 50 0 HHAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccnc1 ZINC000005144788 559252411 /nfs/dbraw/zinc/25/24/11/559252411.db2.gz VMVYGNQFDCAXCD-UHFFFAOYSA-N -1 0 409.515 3.720 50 0 HHAARM CC(C)C[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000011767243 559258781 /nfs/dbraw/zinc/25/87/81/559258781.db2.gz YWQMZWDXKZNIOS-NRFANRHFSA-N -1 0 409.530 3.603 50 0 HHAARM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccnc2Cl)c1 ZINC000005199134 559292326 /nfs/dbraw/zinc/29/23/26/559292326.db2.gz WTVBNGPPJSURDN-UHFFFAOYSA-N -1 0 406.829 3.504 50 0 HHAARM O=C([O-])C[C@]1(C(=O)NCc2ccccc2)CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000005487271 560597558 /nfs/dbraw/zinc/59/75/58/560597558.db2.gz GOYCKDQKKVGOQW-IBGZPJMESA-N -1 0 407.253 3.648 50 0 HHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000639878 560724929 /nfs/dbraw/zinc/72/49/29/560724929.db2.gz ZNALTCQPBVJUKJ-LBPRGKRZSA-N -1 0 411.321 3.778 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccccc3C)c([O-])c3cccnc32)c1 ZINC000101722256 560798715 /nfs/dbraw/zinc/79/87/15/560798715.db2.gz XIQRNGYDKIVTJZ-UHFFFAOYSA-N -1 0 401.422 3.661 50 0 HHAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101767254 560799902 /nfs/dbraw/zinc/79/99/02/560799902.db2.gz UWUUKXVIXHSSAO-INIZCTEOSA-N -1 0 413.886 3.791 50 0 HHAARM Cc1nc2[n-]c(CNc3ccc(Br)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000101802784 560802114 /nfs/dbraw/zinc/80/21/14/560802114.db2.gz LRCTYLIVANAZHK-UHFFFAOYSA-N -1 0 424.302 3.691 50 0 HHAARM COc1ccc(Cl)cc1NCc1nn2c([n-]1)nc(C)c(Cc1ccc(C)cc1)c2=O ZINC000101802910 560802121 /nfs/dbraw/zinc/80/21/21/560802121.db2.gz OXRCMFMRZSZBII-UHFFFAOYSA-N -1 0 423.904 3.899 50 0 HHAARM Cc1nc2[n-]c(CNc3cccc(C(F)(F)F)c3)nn2c(=O)c1Cc1ccccc1 ZINC000101802724 560802156 /nfs/dbraw/zinc/80/21/56/560802156.db2.gz KNOKZMQMWMMXMO-UHFFFAOYSA-N -1 0 413.403 3.948 50 0 HHAARM COc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)cc1 ZINC000101803126 560802262 /nfs/dbraw/zinc/80/22/62/560802262.db2.gz OWLJSHMGYQGAML-UHFFFAOYSA-N -1 0 409.877 3.591 50 0 HHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2F)cc1 ZINC000101835847 560803453 /nfs/dbraw/zinc/80/34/53/560803453.db2.gz LRPPXQKVDKANRE-GOSISDBHSA-N -1 0 410.380 3.705 50 0 HHAARM CCc1ccc(CN(C(=O)c2cccc(C)c2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877915 560804255 /nfs/dbraw/zinc/80/42/55/560804255.db2.gz FILDGLNLLYUYNX-UHFFFAOYSA-N -1 0 415.497 3.752 50 0 HHAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102478979 560811693 /nfs/dbraw/zinc/81/16/93/560811693.db2.gz LAQBAPRFEZGYCT-RBUKOAKNSA-N -1 0 419.416 3.591 50 0 HHAARM [O-]C(c1cccs1)=C1[C@@H](c2ccccc2Cl)NC(=S)N[C@]1(O)C(F)(F)F ZINC000102912135 560835326 /nfs/dbraw/zinc/83/53/26/560835326.db2.gz KKZCBLLRQNFTEP-YWPYICTPSA-N -1 0 420.865 3.670 50 0 HHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1Br ZINC000016129944 560859728 /nfs/dbraw/zinc/85/97/28/560859728.db2.gz ZVGAVOVFRHQBQV-UHFFFAOYSA-N -1 0 408.632 3.741 50 0 HHAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])C1 ZINC000046053326 568425363 /nfs/dbraw/zinc/42/53/63/568425363.db2.gz LGBKCAOVODPQEP-CQSZACIVSA-N -1 0 414.433 3.556 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])C1 ZINC000046053327 568425406 /nfs/dbraw/zinc/42/54/06/568425406.db2.gz LGBKCAOVODPQEP-AWEZNQCLSA-N -1 0 414.433 3.556 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)NCc2ccoc2)ccc1C ZINC000047774362 568431225 /nfs/dbraw/zinc/43/12/25/568431225.db2.gz PMVCPQUNBVUJEG-UHFFFAOYSA-N -1 0 415.471 3.719 50 0 HHAARM O=C(Nc1ccc(F)c(Cl)c1)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O ZINC000049411810 568450136 /nfs/dbraw/zinc/45/01/36/568450136.db2.gz TZDWIIZJFWVLKE-UHFFFAOYSA-N -1 0 412.808 3.523 50 0 HHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccc(OC)c2OC)CC(=O)N3)c1 ZINC000049545995 568451375 /nfs/dbraw/zinc/45/13/75/568451375.db2.gz RJNSPZCMRHWYOP-MRXNPFEDSA-N -1 0 422.437 3.675 50 0 HHAARM O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000000646689 568457286 /nfs/dbraw/zinc/45/72/86/568457286.db2.gz XRARGGSYOJANCQ-UHFFFAOYSA-N -1 0 417.490 3.966 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000652432 568459330 /nfs/dbraw/zinc/45/93/30/568459330.db2.gz DRYNNGBUJCIXDG-RBUKOAKNSA-N -1 0 416.499 3.625 50 0 HHAARM O=C([O-])CC1(CNC(=O)CCc2nc(-c3cccc4[nH]ccc43)no2)CCCCC1 ZINC000218280421 568477315 /nfs/dbraw/zinc/47/73/15/568477315.db2.gz GUHGVRWIECPONG-UHFFFAOYSA-N -1 0 410.474 3.692 50 0 HHAARM CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(C2CCCCCC2)C1=O ZINC000019989980 568586261 /nfs/dbraw/zinc/58/62/61/568586261.db2.gz BCNADYINQWWMAK-VZCXRCSSSA-N -1 0 422.529 3.765 50 0 HHAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000095425244 568607924 /nfs/dbraw/zinc/60/79/24/568607924.db2.gz PXAJSLJQFDUVDR-UHFFFAOYSA-N -1 0 400.431 3.902 50 0 HHAARM O=C([O-])C[C@H](NC(=O)c1ccn(C2CCCC2)n1)c1cccc(Br)c1 ZINC000095463875 568622127 /nfs/dbraw/zinc/62/21/27/568622127.db2.gz VTJILJFYDDECPQ-INIZCTEOSA-N -1 0 406.280 3.707 50 0 HHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)n1C ZINC000021030512 568659296 /nfs/dbraw/zinc/65/92/96/568659296.db2.gz BYRQKJYXJAVXSK-UHFFFAOYSA-N -1 0 421.538 3.762 50 0 HHAARM O=C([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000095953136 568668092 /nfs/dbraw/zinc/66/80/92/568668092.db2.gz DHQWPTZBZNPHSR-UHFFFAOYSA-N -1 0 424.194 3.967 50 0 HHAARM CCc1nc(CC(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)cs1 ZINC000095970452 568671596 /nfs/dbraw/zinc/67/15/96/568671596.db2.gz ZZJVELXZLWXBRX-UHFFFAOYSA-N -1 0 424.404 3.789 50 0 HHAARM O=C([O-])[C@@H]1[C@@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000238789994 568726481 /nfs/dbraw/zinc/72/64/81/568726481.db2.gz MKGBTBHADOYGDF-ZFGLAFRWSA-N -1 0 405.450 3.690 50 0 HHAARM O=C([O-])[C@@H]1[C@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000238789995 568726597 /nfs/dbraw/zinc/72/65/97/568726597.db2.gz MKGBTBHADOYGDF-XDCJIHQESA-N -1 0 405.450 3.690 50 0 HHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000096361176 568739122 /nfs/dbraw/zinc/73/91/22/568739122.db2.gz KIVYNDDRCFGEHU-UHFFFAOYSA-N -1 0 420.878 3.515 50 0 HHAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)cc1 ZINC000021931882 568761720 /nfs/dbraw/zinc/76/17/20/568761720.db2.gz LYAGWROIDHDUAR-UHFFFAOYSA-N -1 0 411.483 3.760 50 0 HHAARM O=C([O-])COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000022608424 568771783 /nfs/dbraw/zinc/77/17/83/568771783.db2.gz WIOOJEDGTGZWFK-GDNBJRDFSA-N -1 0 415.858 3.991 50 0 HHAARM Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)coc2c1 ZINC000002619557 568786806 /nfs/dbraw/zinc/78/68/06/568786806.db2.gz YOLHBFJEJRZZCE-UHFFFAOYSA-N -1 0 422.466 3.513 50 0 HHAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)NCCC(=O)[O-])c(C)c4cc32)cc1 ZINC000002726691 568804136 /nfs/dbraw/zinc/80/41/36/568804136.db2.gz DVBINUXPEYEXOG-UHFFFAOYSA-N -1 0 419.433 3.956 50 0 biogenic HHAARM COc1ccc(Cn2c(=O)c3cc(I)ccc3[n-]c2=S)cc1 ZINC000002970510 568831732 /nfs/dbraw/zinc/83/17/32/568831732.db2.gz ARYGUHXQUCZDHO-UHFFFAOYSA-N -1 0 424.263 3.721 50 0 HHAARM CCOc1cc2[n-]c(=S)n(Cc3ccc4c(c3)OCO4)c(=O)c2cc1OCC ZINC000002976543 568832519 /nfs/dbraw/zinc/83/25/19/568832519.db2.gz SYBHPDLUDPXILS-UHFFFAOYSA-N -1 0 400.456 3.633 50 0 HHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000002086416 568844177 /nfs/dbraw/zinc/84/41/77/568844177.db2.gz WXURSZVIEHWLFE-MGPQQGTHSA-N -1 0 418.559 3.994 50 0 HHAARM CC(C)(C)C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000012560848 568858175 /nfs/dbraw/zinc/85/81/75/568858175.db2.gz YCIUGNLJEBWYBF-UHFFFAOYSA-N -1 0 414.936 3.547 50 0 HHAARM CCOC(=O)C1CCN(c2nc(-c3ccc(SC)cc3)ccc2C(=O)[O-])CC1 ZINC000299783810 568875369 /nfs/dbraw/zinc/87/53/69/568875369.db2.gz UZUWEADPSNCFLA-UHFFFAOYSA-N -1 0 400.500 3.948 50 0 HHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000003310359 568878349 /nfs/dbraw/zinc/87/83/49/568878349.db2.gz PMHHAVCKLSGQFE-UHFFFAOYSA-N -1 0 419.919 3.740 50 0 HHAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000003347785 568884969 /nfs/dbraw/zinc/88/49/69/568884969.db2.gz IDFVUIPFBIOISA-UHFFFAOYSA-N -1 0 405.394 3.540 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1C(=O)[O-] ZINC000012652163 568906755 /nfs/dbraw/zinc/90/67/55/568906755.db2.gz OJCZPAROWXRFEP-UHFFFAOYSA-N -1 0 417.512 3.704 50 0 HHAARM COc1ccc(-c2nc(CC(=O)NCC3(CC(=O)[O-])CCCCC3)cs2)cc1 ZINC000031819670 568932967 /nfs/dbraw/zinc/93/29/67/568932967.db2.gz SYSIJZQHQMLEQE-UHFFFAOYSA-N -1 0 402.516 3.903 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)nc(C)n1 ZINC000008036100 568969671 /nfs/dbraw/zinc/96/96/71/568969671.db2.gz LXPXTLWDMYDLDG-UHFFFAOYSA-N -1 0 416.528 3.527 50 0 HHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000015781932 569002849 /nfs/dbraw/zinc/00/28/49/569002849.db2.gz ORJREGIEABNCGV-MRXNPFEDSA-N -1 0 404.850 3.963 50 0 HHAARM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146045 569014572 /nfs/dbraw/zinc/01/45/72/569014572.db2.gz VMJAUDALCLZCCA-UHFFFAOYSA-N -1 0 411.321 3.636 50 0 HHAARM CC(=O)c1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)cc1 ZINC000015864782 569016632 /nfs/dbraw/zinc/01/66/32/569016632.db2.gz PZMUDCDZAODFDI-UHFFFAOYSA-N -1 0 423.494 3.954 50 0 HHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000016095972 569028882 /nfs/dbraw/zinc/02/88/82/569028882.db2.gz WLBBEXSUNPBCHS-UHFFFAOYSA-N -1 0 417.874 3.797 50 0 HHAARM CCN(CC)c1ncc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000035397670 569034973 /nfs/dbraw/zinc/03/49/73/569034973.db2.gz URTDBPRAJDYKEL-UHFFFAOYSA-N -1 0 405.520 3.724 50 0 HHAARM Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006270337 569036238 /nfs/dbraw/zinc/03/62/38/569036238.db2.gz VEGVIUTZOUYCES-UHFFFAOYSA-N -1 0 417.512 3.578 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000006316913 569040283 /nfs/dbraw/zinc/04/02/83/569040283.db2.gz ZKHUPFYAXFOXMH-MRXNPFEDSA-N -1 0 410.495 3.987 50 0 HHAARM O=C([O-])CCCCCNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001737330 569041669 /nfs/dbraw/zinc/04/16/69/569041669.db2.gz XQLHCMXYVHNCIS-UHFFFAOYSA-N -1 0 409.438 3.600 50 0 biogenic HHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cn1 ZINC000006348509 569044587 /nfs/dbraw/zinc/04/45/87/569044587.db2.gz LFVLREQLEIAKTG-UHFFFAOYSA-N -1 0 415.446 3.591 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1OC ZINC000035557080 569044673 /nfs/dbraw/zinc/04/46/73/569044673.db2.gz QHPCQWSJVPJQDN-UHFFFAOYSA-N -1 0 421.500 3.884 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc2ccccc2n1 ZINC000006352532 569045125 /nfs/dbraw/zinc/04/51/25/569045125.db2.gz VPVVUDOYXRFKKU-UHFFFAOYSA-N -1 0 410.480 3.744 50 0 HHAARM CCCCc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006429909 569048845 /nfs/dbraw/zinc/04/88/45/569048845.db2.gz NJYSJLWXAIVDBW-BUMILGAPSA-N -1 0 405.560 3.977 50 0 HHAARM COc1ccccc1C1(CNC(=O)C[C@@H](CC(=O)[O-])c2cccs2)CCOCC1 ZINC000090607330 569048979 /nfs/dbraw/zinc/04/89/79/569048979.db2.gz AUQUTVWUKGPTPH-INIZCTEOSA-N -1 0 417.527 3.570 50 0 HHAARM COc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006471369 569058047 /nfs/dbraw/zinc/05/80/47/569058047.db2.gz OHHUSPZJCSWVPA-UHFFFAOYSA-N -1 0 400.431 3.887 50 0 HHAARM O=C([O-])c1cccc(-c2ccc(C=C3N[C@@H](NN=Cc4ccccc4)SC3=O)o2)c1 ZINC000252602168 569060713 /nfs/dbraw/zinc/06/07/13/569060713.db2.gz FGBQCRJLGVYACL-ONVWNHBRSA-N -1 0 419.462 3.756 50 0 HHAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690145 569070688 /nfs/dbraw/zinc/07/06/88/569070688.db2.gz XJSQNSJLASWBQM-OZVIIMIRSA-N -1 0 406.939 3.911 50 0 HHAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)C1 ZINC000064820427 569102677 /nfs/dbraw/zinc/10/26/77/569102677.db2.gz GQHAFJILDYPDHA-HNNXBMFYSA-N -1 0 414.433 3.556 50 0 HHAARM CCCCN(C)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000064843229 569107088 /nfs/dbraw/zinc/10/70/88/569107088.db2.gz QOLOOJJRQKSHEJ-UHFFFAOYSA-N -1 0 405.520 3.742 50 0 HHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000006887736 569171297 /nfs/dbraw/zinc/17/12/97/569171297.db2.gz ZYTDXORDLKQQNX-UHFFFAOYSA-N -1 0 416.455 3.554 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006935335 569186057 /nfs/dbraw/zinc/18/60/57/569186057.db2.gz SRLZEYYOCYHDBG-CQSZACIVSA-N -1 0 400.500 3.574 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)cc1 ZINC000065183514 569190970 /nfs/dbraw/zinc/19/09/70/569190970.db2.gz KJGJMGPKGZBVOX-UHFFFAOYSA-N -1 0 407.517 3.805 50 0 HHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Br)cc2F)c1=O ZINC000065215414 569197606 /nfs/dbraw/zinc/19/76/06/569197606.db2.gz VICDEAGBHDOUBA-UHFFFAOYSA-N -1 0 411.252 3.942 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1C ZINC000065249999 569206030 /nfs/dbraw/zinc/20/60/30/569206030.db2.gz LFVWJMMMEDVFDB-UHFFFAOYSA-N -1 0 408.845 3.942 50 0 HHAARM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000065521211 569233411 /nfs/dbraw/zinc/23/34/11/569233411.db2.gz BVXDPWDKTDQGRV-UHFFFAOYSA-N -1 0 412.858 3.988 50 0 HHAARM Cc1cc(Br)c([O-])c(C(=O)Nc2cccc(CN3CCCC3=O)c2)c1 ZINC000065567657 569236252 /nfs/dbraw/zinc/23/62/52/569236252.db2.gz HJPSUFWNQRMJMK-UHFFFAOYSA-N -1 0 403.276 3.838 50 0 HHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000007428362 569238391 /nfs/dbraw/zinc/23/83/91/569238391.db2.gz HVDAMEGJGFVJSL-UHFFFAOYSA-N -1 0 409.460 3.945 50 0 HHAARM COC(=O)[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1c1ccsc1 ZINC000170601413 569243202 /nfs/dbraw/zinc/24/32/02/569243202.db2.gz GFRSQZAFYQYSSU-RYUDHWBXSA-N -1 0 400.283 3.789 50 0 HHAARM Cc1nnc(Cc2nc(=O)c3sc(-c4ccc(Cl)cc4Cl)cc3[n-]2)n1C ZINC000170610687 569245419 /nfs/dbraw/zinc/24/54/19/569245419.db2.gz ZRBBGGZOOHAOQA-UHFFFAOYSA-N -1 0 406.298 3.986 50 0 HHAARM O=S(=O)([N-]c1nc2ccccn2n1)c1cc(Br)c(Cl)cc1Cl ZINC000170617524 569248089 /nfs/dbraw/zinc/24/80/89/569248089.db2.gz MCGQSJVPLIKGGO-UHFFFAOYSA-N -1 0 422.091 3.599 50 0 HHAARM C[C@H](Sc1ccc(NC(=O)CCC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013579156 569256304 /nfs/dbraw/zinc/25/63/04/569256304.db2.gz RZHQKPXMWBHQBL-GJZGRUSLSA-N -1 0 412.511 3.948 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc(C)c3)C2)cc1OC ZINC000089669329 569262219 /nfs/dbraw/zinc/26/22/19/569262219.db2.gz NFOCOEPCXIZWQL-IBGZPJMESA-N -1 0 410.470 3.945 50 0 HHAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002097078 569281041 /nfs/dbraw/zinc/28/10/41/569281041.db2.gz NLMPUGILDMHFAV-BTYIYWSLSA-N -1 0 423.465 3.763 50 0 biogenic HHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002103411 569281646 /nfs/dbraw/zinc/28/16/46/569281646.db2.gz DJTNPIMWQHAAEA-KPHUOKFYSA-N -1 0 417.502 3.827 50 0 biogenic HHAARM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000237955731 569281861 /nfs/dbraw/zinc/28/18/61/569281861.db2.gz WSHNGKAZBOXILM-UHFFFAOYSA-N -1 0 403.482 3.868 50 0 HHAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc3c2C)c1C ZINC000002108106 569283229 /nfs/dbraw/zinc/28/32/29/569283229.db2.gz VWCOIGKKTCKRNH-IBGZPJMESA-N -1 0 413.470 3.931 50 0 biogenic HHAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002117971 569284808 /nfs/dbraw/zinc/28/48/08/569284808.db2.gz MTLAOAVYJNFNGA-QGZVFWFLSA-N -1 0 413.470 3.975 50 0 biogenic HHAARM CC(C)(C)C(=O)[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)Nc1cc(N)ccc1Cl ZINC000000642127 569287718 /nfs/dbraw/zinc/28/77/18/569287718.db2.gz XLTGMNNJLKNJLD-MRXNPFEDSA-N -1 0 404.850 3.622 50 0 HHAARM CC(C)(C)OC(=O)c1c(N)n(-c2cccc(C(=O)[O-])c2)c2nc3ccccc3nc21 ZINC000002248169 569324465 /nfs/dbraw/zinc/32/44/65/569324465.db2.gz PTSRMBBTNIGJJZ-UHFFFAOYSA-N -1 0 404.426 3.809 50 0 HHAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002426201 569398601 /nfs/dbraw/zinc/39/86/01/569398601.db2.gz UXBYXUNMWXRYES-KSSFIOAISA-N -1 0 415.486 3.507 50 0 HHAARM CCn1c2ccccc2nc1SCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000008580851 571082705 /nfs/dbraw/zinc/08/27/05/571082705.db2.gz YRNQZHJQWKITFV-UHFFFAOYSA-N -1 0 400.485 3.653 50 0 HHAARM CCCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)[O-] ZINC000008740256 571110331 /nfs/dbraw/zinc/11/03/31/571110331.db2.gz PTZAWHDSFJGRSE-UHFFFAOYSA-N -1 0 424.453 3.945 50 0 biogenic HHAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2OCC(C)(C)C1=O ZINC000009167651 571233243 /nfs/dbraw/zinc/23/32/43/571233243.db2.gz BPWVXSTVYXGZDA-UHFFFAOYSA-N -1 0 424.469 3.927 50 0 HHAARM CCCn1nc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c2cc3ccccc3nc21 ZINC000009356801 571251295 /nfs/dbraw/zinc/25/12/95/571251295.db2.gz XLWKADCVXCGMLX-UHFFFAOYSA-N -1 0 408.483 3.998 50 0 HHAARM O=C(NCc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1)c1cccs1 ZINC000070008928 571253820 /nfs/dbraw/zinc/25/38/20/571253820.db2.gz HEEKEFPPFINNGR-UHFFFAOYSA-N -1 0 420.450 3.686 50 0 HHAARM O=S(=O)([N-]c1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)s1 ZINC000009468759 571261443 /nfs/dbraw/zinc/26/14/43/571261443.db2.gz XSQCODMFAHXTEF-UHFFFAOYSA-N -1 0 415.949 3.649 50 0 HHAARM COc1ccc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009526109 571265822 /nfs/dbraw/zinc/26/58/22/571265822.db2.gz RIJRSQJGQAUCPD-UHFFFAOYSA-N -1 0 410.495 3.768 50 0 HHAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000009646524 571276504 /nfs/dbraw/zinc/27/65/04/571276504.db2.gz GYXBYAPUHCINGP-UHFFFAOYSA-N -1 0 423.443 3.747 50 0 HHAARM O=C([O-])CC1(CNC(=O)Cn2ccc3cc(Br)ccc32)CCCCC1 ZINC000071281340 571290720 /nfs/dbraw/zinc/29/07/20/571290720.db2.gz CQPMTUNGNYWZCG-UHFFFAOYSA-N -1 0 407.308 3.945 50 0 HHAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c(=O)n21 ZINC000033256317 571309270 /nfs/dbraw/zinc/30/92/70/571309270.db2.gz VRJKANZRVQIZLX-UHFFFAOYSA-N -1 0 417.487 3.774 50 0 HHAARM Cc1cc([O-])c(C2=NCCS[C@H](c3cc(Br)ccc3O)C2)c(=O)o1 ZINC000005441420 960725009 /nfs/dbraw/zinc/72/50/09/960725009.db2.gz WREQRAUXIXVJPV-HNNXBMFYSA-N -1 0 410.289 3.789 50 0 HHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c1=O ZINC000005737772 960772954 /nfs/dbraw/zinc/77/29/54/960772954.db2.gz OWLRIRVWFOJVDA-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)NCc2ccccc2)cc1 ZINC000035124626 966419050 /nfs/dbraw/zinc/41/90/50/966419050.db2.gz XFFLDBRSPGOTAJ-SSZFMOIBSA-N -1 0 422.506 3.826 50 0 HHAARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000001192442 132241459 /nfs/dbraw/zinc/24/14/59/132241459.db2.gz JQXLCYQPNCXLJU-CPNJWEJPSA-N -1 0 402.406 3.523 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000007325387 132323849 /nfs/dbraw/zinc/32/38/49/132323849.db2.gz AQRRDLKTFOYEGM-UHFFFAOYSA-N -1 0 418.515 3.584 50 0 HHAARM CCN(CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000008974907 132334353 /nfs/dbraw/zinc/33/43/53/132334353.db2.gz PDVCOBDDSVAVIL-CAPFRKAQSA-N -1 0 406.486 3.810 50 0 HHAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2ccccc2F)CC1 ZINC000032947209 519913986 /nfs/dbraw/zinc/91/39/86/519913986.db2.gz XZDGUYQOOPFHJV-UHFFFAOYSA-N -1 0 413.493 3.975 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000032603677 521554498 /nfs/dbraw/zinc/55/44/98/521554498.db2.gz XPPUMRVOYPSMSR-UHFFFAOYSA-N -1 0 416.293 3.666 50 0 HHAARM CCc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC000042783094 524007994 /nfs/dbraw/zinc/00/79/94/524007994.db2.gz WOAKKIOOWGTYPB-JSGCOSHPSA-N -1 0 414.296 3.853 50 0 HHAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000032971147 524246841 /nfs/dbraw/zinc/24/68/41/524246841.db2.gz MOJICZOPMBWDIO-GFCCVEGCSA-N -1 0 410.442 3.700 50 0 HHAARM O=C([O-])C1CCN(C(=O)CCn2ccc3cc(OCc4ccccc4)ccc32)CC1 ZINC000040286890 527563514 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557461192 /nfs/dbraw/zinc/46/11/92/557461192.db2.gz GHFMCTVBIFJJQQ-KRWDZBQOSA-N -1 0 420.513 3.713 50 0 HHAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCCc1cccs1 ZINC000034767588 557462644 /nfs/dbraw/zinc/46/26/44/557462644.db2.gz RGWKRNXDNVWQAB-UHFFFAOYSA-N -1 0 422.432 3.616 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)nc(C)n1 ZINC000003991777 557504344 /nfs/dbraw/zinc/50/43/44/557504344.db2.gz YMNHYFSGGDCVJA-UHFFFAOYSA-N -1 0 413.528 3.703 50 0 HHAARM CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c1C ZINC000004390264 557550636 /nfs/dbraw/zinc/55/06/36/557550636.db2.gz QFVRMIVGNSHJDB-UHFFFAOYSA-N -1 0 407.426 3.616 50 0 HHAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000004652727 557576320 /nfs/dbraw/zinc/57/63/20/557576320.db2.gz VHSCPFBKODKXLT-QNGOZBTKSA-N -1 0 416.433 3.803 50 0 biogenic HHAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000004834268 557604688 /nfs/dbraw/zinc/60/46/88/557604688.db2.gz 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Cc1nc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)sc1C ZINC000030565692 558732821 /nfs/dbraw/zinc/73/28/21/558732821.db2.gz UJOGJFYSVRSTND-UHFFFAOYSA-N -1 0 407.542 3.803 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103596 558750008 /nfs/dbraw/zinc/75/00/08/558750008.db2.gz YWJSOECTGNJITK-HNNXBMFYSA-N -1 0 424.297 3.962 50 0 HHAARM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(OC)c(OC)cc2Br)c1 ZINC000072307286 558767184 /nfs/dbraw/zinc/76/71/84/558767184.db2.gz WFZGMNVVWODZJA-UHFFFAOYSA-N -1 0 416.293 3.535 50 0 HHAARM C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000016122263 558772943 /nfs/dbraw/zinc/77/29/43/558772943.db2.gz QILGDVBYUVAHSX-OKILXGFUSA-N -1 0 414.574 3.501 50 0 HHAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 ZINC000017082868 558815198 /nfs/dbraw/zinc/81/51/98/558815198.db2.gz CWLRSMJEWXUBAG-UHFFFAOYSA-N -1 0 404.488 3.733 50 0 HHAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017082904 558815331 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CC(C)C(=O)Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260660 558926304 /nfs/dbraw/zinc/92/63/04/558926304.db2.gz DHPPVPKTMJBIEK-UHFFFAOYSA-N -1 0 418.497 3.854 50 0 HHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000023125742 559013771 /nfs/dbraw/zinc/01/37/71/559013771.db2.gz XVQMWAKJOCKHRD-DLBZAZTESA-N -1 0 413.275 3.872 50 0 HHAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000033298916 559048116 /nfs/dbraw/zinc/04/81/16/559048116.db2.gz NRLHCWQKVPPZNS-UHFFFAOYSA-N -1 0 416.933 3.544 50 0 HHAARM COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])ON(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000004751597 559049102 /nfs/dbraw/zinc/04/91/02/559049102.db2.gz UJVPADQYHUNJPW-BDTNDASRSA-N -1 0 418.449 3.896 50 0 HHAARM O=S(=O)([N-]c1ccccc1O)c1cc(Br)ccc1Br ZINC000011635167 559118338 /nfs/dbraw/zinc/11/83/38/559118338.db2.gz SADDBZNEECFAAS-UHFFFAOYSA-N -1 0 407.083 3.718 50 0 HHAARM Cc1cc(-c2c(C)[n-]n(-c3ccccc3)c2=O)n(CCOC(=O)c2ccccc2)n1 ZINC000100328865 559196312 /nfs/dbraw/zinc/19/63/12/559196312.db2.gz KWBCAOIUTZQFEP-UHFFFAOYSA-N -1 0 402.454 3.915 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000004950937 559215692 /nfs/dbraw/zinc/21/56/92/559215692.db2.gz MTGJJTPEJCBKIK-UHFFFAOYSA-N -1 0 414.531 3.778 50 0 HHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000004950948 559215868 /nfs/dbraw/zinc/21/58/68/559215868.db2.gz QMSBHCSNTUADLI-UHFFFAOYSA-N -1 0 414.531 3.634 50 0 HHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971524 559220585 /nfs/dbraw/zinc/22/05/85/559220585.db2.gz MWCNKEVCUDULTC-UHFFFAOYSA-N -1 0 420.918 3.839 50 0 HHAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000005027498 559230516 /nfs/dbraw/zinc/23/05/16/559230516.db2.gz IMUQJEFIJTYITB-UHFFFAOYSA-N -1 0 417.512 3.985 50 0 HHAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(F)cc1F ZINC000005150713 559253606 /nfs/dbraw/zinc/25/36/06/559253606.db2.gz KFVAWSFSVSQEIA-UHFFFAOYSA-N -1 0 416.453 3.823 50 0 HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1Cl ZINC000005252645 560551622 /nfs/dbraw/zinc/55/16/22/560551622.db2.gz XQBXRSWINAFHPY-UHFFFAOYSA-N -1 0 402.785 3.740 50 0 HHAARM C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(=O)[O-])n1-c1ccc(F)cc1 ZINC000005267103 560553922 /nfs/dbraw/zinc/55/39/22/560553922.db2.gz FGAIZQICIPGDJI-ZDUSSCGKSA-N -1 0 411.458 3.780 50 0 HHAARM Cc1c(Cl)cccc1N1C(=O)[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]2C1=O ZINC000101070760 560770748 /nfs/dbraw/zinc/77/07/48/560770748.db2.gz RNEQOLANSDRLKT-HOCLYGCPSA-N -1 0 419.662 3.703 50 0 HHAARM Cc1ccc(F)c(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1 ZINC000101722270 560798764 /nfs/dbraw/zinc/79/87/64/560798764.db2.gz JFQRDXIMPCJLAB-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM COc1cccc(-n2c(=O)c(C(=O)NC3CCCCCC3)c([O-])c3cccnc32)c1 ZINC000101722532 560798899 /nfs/dbraw/zinc/79/88/99/560798899.db2.gz IROXAZFLRLGPPU-UHFFFAOYSA-N -1 0 407.470 3.553 50 0 HHAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722601 560798932 /nfs/dbraw/zinc/79/89/32/560798932.db2.gz LXDIUEJUOKJLEQ-UHFFFAOYSA-N -1 0 423.831 3.814 50 0 HHAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 ZINC000101835791 560803480 /nfs/dbraw/zinc/80/34/80/560803480.db2.gz XJRREZXORDTAEU-KRWDZBQOSA-N -1 0 424.844 3.781 50 0 HHAARM C[C@@H](NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1)c1ccccc1Cl ZINC000102135025 560808068 /nfs/dbraw/zinc/80/80/68/560808068.db2.gz IGHRZAOGIOTHLL-GFCCVEGCSA-N -1 0 407.923 3.687 50 0 HHAARM O=C(Nc1ccccc1SCc1cc(=O)n2nc[n-]c2n1)c1ccccc1Cl ZINC000102621480 560818299 /nfs/dbraw/zinc/81/82/99/560818299.db2.gz PDKNTUYPGHDDIA-UHFFFAOYSA-N -1 0 411.874 3.616 50 0 HHAARM Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000005747855 560869352 /nfs/dbraw/zinc/86/93/52/560869352.db2.gz SMGXEZAJSUAQJF-YPHDTHBOSA-N -1 0 409.441 3.630 50 0 HHAARM O=C1N[C@H](c2cccc(Cl)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213448 560886462 /nfs/dbraw/zinc/88/64/62/560886462.db2.gz ZDOBPFPNNQUTKL-LALPHHSUSA-N -1 0 404.797 3.505 50 0 HHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4OC)c32)cc1 ZINC000049543129 568451034 /nfs/dbraw/zinc/45/10/34/568451034.db2.gz YSGLNEWJWDNVAO-INIZCTEOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)cc1 ZINC000049543329 568451093 /nfs/dbraw/zinc/45/10/93/568451093.db2.gz BMLQCPDXSZGZIW-MRXNPFEDSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM CC(C)N(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215058061 568459581 /nfs/dbraw/zinc/45/95/81/568459581.db2.gz RPXAJGKWYYRERI-UHFFFAOYSA-N -1 0 407.314 3.955 50 0 HHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(C)cs2)cc1 ZINC000024983802 568514683 /nfs/dbraw/zinc/51/46/83/568514683.db2.gz IQSCSGOCXBPYNN-UHFFFAOYSA-N -1 0 417.512 3.903 50 0 HHAARM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2c1C ZINC000019943939 568586256 /nfs/dbraw/zinc/58/62/56/568586256.db2.gz JDBCOZHEMXHBTG-UHFFFAOYSA-N -1 0 419.455 3.736 50 0 HHAARM CSCC[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC000080358288 568604142 /nfs/dbraw/zinc/60/41/42/568604142.db2.gz VQWSEDAFVVFISI-GFCCVEGCSA-N -1 0 419.355 3.982 50 0 HHAARM C[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)C1CCCCC1 ZINC000095451160 568614443 /nfs/dbraw/zinc/61/44/43/568614443.db2.gz YKAVENRLVOGLTF-CYBMUJFWSA-N -1 0 408.549 3.884 50 0 HHAARM Cc1nc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(Cl)cc1Cl ZINC000095457192 568618124 /nfs/dbraw/zinc/61/81/24/568618124.db2.gz AFEAEGNRNUTLNX-UHFFFAOYSA-N -1 0 401.250 3.822 50 0 HHAARM O=C([O-])C[C@@H](NC(=O)c1ccn(C2CCCC2)n1)c1cccc(Br)c1 ZINC000095463874 568622131 /nfs/dbraw/zinc/62/21/31/568622131.db2.gz VTJILJFYDDECPQ-MRXNPFEDSA-N -1 0 406.280 3.707 50 0 HHAARM O=C([O-])COc1ccccc1[C@H]1SCC(=O)Nc2c1cnn2Cc1cccs1 ZINC000095479865 568632850 /nfs/dbraw/zinc/63/28/50/568632850.db2.gz JETWHIOQKXPEJM-GOSISDBHSA-N -1 0 415.496 3.881 50 0 HHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(C)cc3)C2)c1 ZINC000095532090 568635401 /nfs/dbraw/zinc/63/54/01/568635401.db2.gz ZWPABSBFUFDAQX-NRFANRHFSA-N -1 0 410.470 3.945 50 0 HHAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1nc2ccccc2n1-c1ccccc1 ZINC000225551813 568650362 /nfs/dbraw/zinc/65/03/62/568650362.db2.gz BJLKJTYMFGJEAG-UHFFFAOYSA-N -1 0 401.879 3.522 50 0 HHAARM CCOc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012406877 568711637 /nfs/dbraw/zinc/71/16/37/568711637.db2.gz OHXYBXAZDMIFHN-OAQYLSRUSA-N -1 0 418.453 3.571 50 0 HHAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)on1 ZINC000021540632 568713712 /nfs/dbraw/zinc/71/37/12/568713712.db2.gz KPDAPYLQMPKSPW-UHFFFAOYSA-N -1 0 412.876 3.952 50 0 HHAARM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685939846 568722345 /nfs/dbraw/zinc/72/23/45/568722345.db2.gz COAZNNHPIIKAGL-LJQANCHMSA-N -1 0 411.845 3.528 50 0 HHAARM COc1ccc2nc(-c3cccc([N-]S(=O)(=O)c4ccc(C)s4)c3)cn2n1 ZINC000012441314 568724202 /nfs/dbraw/zinc/72/42/02/568724202.db2.gz XVSVOQQIHWZCHL-UHFFFAOYSA-N -1 0 400.485 3.576 50 0 HHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000018707743 568738855 /nfs/dbraw/zinc/73/88/55/568738855.db2.gz BGQSQHDHWNVYQS-UHFFFAOYSA-N -1 0 422.432 3.966 50 0 HHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)no1 ZINC000021701727 568741610 /nfs/dbraw/zinc/74/16/10/568741610.db2.gz FYACRWVELVHCHK-UHFFFAOYSA-N -1 0 418.269 3.809 50 0 HHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379683 568741339 /nfs/dbraw/zinc/74/13/39/568741339.db2.gz ZADYATIYYTZYGM-UHFFFAOYSA-N -1 0 414.487 3.952 50 0 HHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)c1 ZINC000096379849 568741658 /nfs/dbraw/zinc/74/16/58/568741658.db2.gz YWNFUUCVINMDPC-UHFFFAOYSA-N -1 0 400.460 3.562 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)c(C)c1 ZINC000096379865 568741689 /nfs/dbraw/zinc/74/16/89/568741689.db2.gz IXNQBPDQZYUQCP-UHFFFAOYSA-N -1 0 402.476 3.677 50 0 HHAARM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1O ZINC000086057188 568753791 /nfs/dbraw/zinc/75/37/91/568753791.db2.gz OKSCTXFTYUEFBD-HNNXBMFYSA-N -1 0 423.494 3.559 50 0 HHAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022609194 568771591 /nfs/dbraw/zinc/77/15/91/568771591.db2.gz LJQOTZYBQINSFE-GOSISDBHSA-N -1 0 409.490 3.547 50 0 HHAARM CN1C(=O)N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000002502279 568777255 /nfs/dbraw/zinc/77/72/55/568777255.db2.gz OUQNHAQKSAJYBY-ZENOOKHLSA-N -1 0 418.824 3.848 50 0 HHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N3CCCCCC3)c(=O)c2cc1OCC ZINC000003010335 568838119 /nfs/dbraw/zinc/83/81/19/568838119.db2.gz CWDWOLZGLOXBMN-UHFFFAOYSA-N -1 0 419.547 3.649 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC2)c(Cl)cc1Cl ZINC000012507915 568839913 /nfs/dbraw/zinc/83/99/13/568839913.db2.gz SXCHPDMZLHIWSB-UHFFFAOYSA-N -1 0 415.298 3.649 50 0 HHAARM CCOc1ccc2nc(C)cc(SC[C@H](NC(=O)c3ccccc3)C(=O)[O-])c2c1 ZINC000012526588 568843296 /nfs/dbraw/zinc/84/32/96/568843296.db2.gz HXIDZGHLHNCDBU-IBGZPJMESA-N -1 0 410.495 3.917 50 0 HHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000003270403 568850269 /nfs/dbraw/zinc/85/02/69/568850269.db2.gz JMIUQHPONAUDRL-UHFFFAOYSA-N -1 0 414.458 3.565 50 0 HHAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000057531290 568852066 /nfs/dbraw/zinc/85/20/66/568852066.db2.gz VWMSGKXXLKFYFK-ZOWXZIJZSA-N -1 0 404.797 3.505 50 0 HHAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000012552125 568853981 /nfs/dbraw/zinc/85/39/81/568853981.db2.gz IOIJGWJPXKPLNO-UHFFFAOYSA-N -1 0 413.826 3.563 50 0 HHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000003280444 568871625 /nfs/dbraw/zinc/87/16/25/568871625.db2.gz POQUQPXAZHZDLB-UHFFFAOYSA-N -1 0 422.388 3.549 50 0 HHAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1ccccc1C(F)(F)F ZINC000001282215 568910666 /nfs/dbraw/zinc/91/06/66/568910666.db2.gz HHNLYURCYSCXSA-UHFFFAOYSA-N -1 0 406.389 3.994 50 0 HHAARM O=C(NCc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631192 568921367 /nfs/dbraw/zinc/92/13/67/568921367.db2.gz NOQMHBBFSGXXHY-UHFFFAOYSA-N -1 0 416.506 3.627 50 0 HHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000015782020 568922424 /nfs/dbraw/zinc/92/24/24/568922424.db2.gz IXQYXWZZAMHOSL-MRXNPFEDSA-N -1 0 406.385 3.588 50 0 HHAARM CCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@H]1c1cc(OC)ccc1OC ZINC000004029346 568934250 /nfs/dbraw/zinc/93/42/50/568934250.db2.gz WWDMXHVDNFWRMO-XMSQKQJNSA-N -1 0 408.454 3.522 50 0 biogenic HHAARM O=C(N[C@H](Cc1ccccc1)C(=O)[N-]OCc1ccccc1)OCc1ccccc1 ZINC000012776974 568955401 /nfs/dbraw/zinc/95/54/01/568955401.db2.gz BYGZQJRLPPTDBI-JOCHJYFZSA-N -1 0 404.466 3.772 50 0 HHAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000004317356 568962581 /nfs/dbraw/zinc/96/25/81/568962581.db2.gz ZCMSXNVNSJVCPC-UHFFFAOYSA-N -1 0 410.499 3.524 50 0 HHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ncnc2ccccc21 ZINC000008132342 568975839 /nfs/dbraw/zinc/97/58/39/568975839.db2.gz XLYMDKNPEMMALQ-UHFFFAOYSA-N -1 0 408.277 3.592 50 0 HHAARM COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000006176960 569017515 /nfs/dbraw/zinc/01/75/15/569017515.db2.gz ZNQPVBPSCHGQPM-UHFFFAOYSA-N -1 0 402.516 3.821 50 0 HHAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(SC#N)cc3C)C2=O)cc1C ZINC000005601847 569024253 /nfs/dbraw/zinc/02/42/53/569024253.db2.gz QWVPLDAAOXQRQF-LICLKQGHSA-N -1 0 406.467 3.764 50 0 HHAARM COc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000006182527 569028502 /nfs/dbraw/zinc/02/85/02/569028502.db2.gz IMJOYDUZJRZBTB-UHFFFAOYSA-N -1 0 424.689 3.935 50 0 HHAARM Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000090594484 569041667 /nfs/dbraw/zinc/04/16/67/569041667.db2.gz KSNVZNZCJFEDII-MRXNPFEDSA-N -1 0 424.844 3.732 50 0 HHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)c(C)s2)no1 ZINC000035539205 569043589 /nfs/dbraw/zinc/04/35/89/569043589.db2.gz TZJOWYNVZLKUKK-UHFFFAOYSA-N -1 0 414.306 3.978 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc(OC)c1 ZINC000035557128 569044788 /nfs/dbraw/zinc/04/47/88/569044788.db2.gz XNZYVGMFAZDEPT-UHFFFAOYSA-N -1 0 421.500 3.884 50 0 HHAARM O=C(COc1ccc(Cl)cc1Cl)NCc1n[n-]c(=S)n1-c1ccccc1 ZINC000006423225 569048455 /nfs/dbraw/zinc/04/84/55/569048455.db2.gz YFHRADSJJIKPJF-UHFFFAOYSA-N -1 0 409.298 3.932 50 0 HHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)no1 ZINC000001904185 569057739 /nfs/dbraw/zinc/05/77/39/569057739.db2.gz IRKYSYYIUGUAPJ-UHFFFAOYSA-N -1 0 415.471 3.582 50 0 HHAARM COc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589780 569069066 /nfs/dbraw/zinc/06/90/66/569069066.db2.gz NTCZFQXXLLOKMF-UHFFFAOYSA-N -1 0 411.502 3.705 50 0 HHAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820630 569102671 /nfs/dbraw/zinc/10/26/71/569102671.db2.gz LQPHYJAUWCEDLP-UHFFFAOYSA-N -1 0 406.486 3.666 50 0 HHAARM COc1ccc(Cl)cc1NC(=O)[C@@]1(CC(=O)[O-])CC(/C=C/c2ccccc2)=NO1 ZINC000006756878 569113212 /nfs/dbraw/zinc/11/32/12/569113212.db2.gz YMWPWPXRWQVXBS-OEAKIKGJSA-N -1 0 414.845 3.990 50 0 HHAARM O=C(Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)s1)N1CCCCC1 ZINC000064919802 569121033 /nfs/dbraw/zinc/12/10/33/569121033.db2.gz VUBRNJUKHQSZDL-UHFFFAOYSA-N -1 0 416.927 3.896 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c(OC)c1 ZINC000006820280 569139318 /nfs/dbraw/zinc/13/93/18/569139318.db2.gz SIPHNHAOSIZNSX-UHFFFAOYSA-N -1 0 408.220 3.545 50 0 HHAARM O=C([O-])c1ccc(CNC(=O)CCn2ccc3cc(Br)ccc32)cc1 ZINC000036360116 569151369 /nfs/dbraw/zinc/15/13/69/569151369.db2.gz SPVQVXSDDDPOSY-UHFFFAOYSA-N -1 0 401.260 3.809 50 0 HHAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000006854938 569155310 /nfs/dbraw/zinc/15/53/10/569155310.db2.gz ITKKNINKMPYMDC-LFIBNONCSA-N -1 0 404.253 3.640 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866724 569158907 /nfs/dbraw/zinc/15/89/07/569158907.db2.gz USDKZRWKVIELHS-CQSZACIVSA-N -1 0 400.500 3.574 50 0 HHAARM O=C(Nc1ccc(F)c(F)c1)c1c(=O)[nH]c2c(cnn2-c2ccc(Cl)cc2)c1[O-] ZINC000065250016 569206049 /nfs/dbraw/zinc/20/60/49/569206049.db2.gz ZYKZICZORFFRTR-UHFFFAOYSA-N -1 0 416.771 3.603 50 0 HHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000007056454 569214472 /nfs/dbraw/zinc/21/44/72/569214472.db2.gz SPOSRRUBVMMJNV-UHFFFAOYSA-N -1 0 406.685 3.921 50 0 HHAARM CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)Cc2c(Cl)cccc2Cl)c1C ZINC000065646912 569239923 /nfs/dbraw/zinc/23/99/23/569239923.db2.gz OFQUPKNVGBFSGM-UHFFFAOYSA-N -1 0 402.299 3.939 50 0 HHAARM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000170594910 569241571 /nfs/dbraw/zinc/24/15/71/569241571.db2.gz ASLMHQCBUYMHKO-JTQLQIEISA-N -1 0 405.369 3.909 50 0 HHAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000007505381 569243405 /nfs/dbraw/zinc/24/34/05/569243405.db2.gz VKKIRSDUKKCENA-UHFFFAOYSA-N -1 0 407.488 3.589 50 0 HHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000170612671 569246526 /nfs/dbraw/zinc/24/65/26/569246526.db2.gz ORXUFRKTIOQYKO-LJQANCHMSA-N -1 0 414.433 3.776 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c(F)c1 ZINC000089616772 569261261 /nfs/dbraw/zinc/26/12/61/569261261.db2.gz KCBNURIHKMLUBT-UHFFFAOYSA-N -1 0 406.204 3.535 50 0 HHAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3cccc(N4CCOC4=O)c3)n2)cc1 ZINC000170638403 569280216 /nfs/dbraw/zinc/28/02/16/569280216.db2.gz CEQANTIKZBAIIL-UHFFFAOYSA-N -1 0 406.442 3.910 50 0 HHAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002104172 569282016 /nfs/dbraw/zinc/28/20/16/569282016.db2.gz TWXJEQAZBVNJCP-YRVVQQKDSA-N -1 0 403.475 3.518 50 0 biogenic HHAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000007885177 569315241 /nfs/dbraw/zinc/31/52/41/569315241.db2.gz BTETZFPHCNJPPL-NRFANRHFSA-N -1 0 402.406 3.880 50 0 HHAARM CC1(C)Cc2c(sc3nc(SCC(=O)[O-])n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002240069 569322190 /nfs/dbraw/zinc/32/21/90/569322190.db2.gz ZVSHBMLVKCEAEH-UHFFFAOYSA-N -1 0 416.524 3.534 50 0 HHAARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cc2c(cc1O)OCO2 ZINC000253398010 569365255 /nfs/dbraw/zinc/36/52/55/569365255.db2.gz BUZGTNQPAJYLJK-OAHLLOKOSA-N -1 0 410.378 3.774 50 0 biogenic HHAARM Cc1c(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002401830 569395531 /nfs/dbraw/zinc/39/55/31/569395531.db2.gz RWAUHWBHAVLXEA-HNNXBMFYSA-N -1 0 415.486 3.509 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000008604779 571091533 /nfs/dbraw/zinc/09/15/33/571091533.db2.gz NRTCKPXROJNHJV-UHFFFAOYSA-N -1 0 421.496 3.896 50 0 HHAARM CN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(Cl)cc3)Sc3ccccc3N2)C1=O ZINC000008997175 571209060 /nfs/dbraw/zinc/20/90/60/571209060.db2.gz JYITXVGECNYZHK-GDGUIRGDSA-N -1 0 413.886 3.951 50 0 HHAARM O=C(c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCc2ccccc21 ZINC000009151978 571230720 /nfs/dbraw/zinc/23/07/20/571230720.db2.gz MYUAJDVAXNBENZ-UHFFFAOYSA-N -1 0 413.886 3.739 50 0 HHAARM CCN1c2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2OCC(C)(C)C1=O ZINC000009170456 571233632 /nfs/dbraw/zinc/23/36/32/571233632.db2.gz KVBLQYMOFGWYMU-UHFFFAOYSA-N -1 0 410.442 3.537 50 0 HHAARM CCN1c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2OCC(C)(C)C1=O ZINC000009170651 571233682 /nfs/dbraw/zinc/23/36/82/571233682.db2.gz LFNUEEJKPFSSDT-UHFFFAOYSA-N -1 0 414.936 3.974 50 0 HHAARM COc1ccccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000009223768 571238624 /nfs/dbraw/zinc/23/86/24/571238624.db2.gz ACLVKMUTBUDRMB-UHFFFAOYSA-N -1 0 421.478 3.639 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000009406946 571255510 /nfs/dbraw/zinc/25/55/10/571255510.db2.gz DRLYCWCWHVGUEO-GFCCVEGCSA-N -1 0 422.528 3.718 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000009572183 571269119 /nfs/dbraw/zinc/26/91/19/571269119.db2.gz MOQVRRRRCRUAOH-UHFFFAOYSA-N -1 0 408.483 3.823 50 0 HHAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000009708789 571280976 /nfs/dbraw/zinc/28/09/76/571280976.db2.gz MXIAABAQYGZCDD-UHFFFAOYSA-N -1 0 415.418 3.548 50 0 HHAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1cccc2ccccc21 ZINC000009761955 571284514 /nfs/dbraw/zinc/28/45/14/571284514.db2.gz HBEIWWVZEOWFDF-UHFFFAOYSA-N -1 0 415.471 3.821 50 0 HHAARM Cc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1Cl ZINC000009761976 571284688 /nfs/dbraw/zinc/28/46/88/571284688.db2.gz OIXPWOLYSDPLSY-UHFFFAOYSA-N -1 0 413.883 3.630 50 0 HHAARM Cc1ccc(C)c(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000009828721 571286969 /nfs/dbraw/zinc/28/69/69/571286969.db2.gz GWRJWIGVRTXEMT-UHFFFAOYSA-N -1 0 401.513 3.742 50 0 HHAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000627067 132229211 /nfs/dbraw/zinc/22/92/11/132229211.db2.gz XPFKIOIITQCARG-FCHUYYIVSA-N -1 0 419.525 3.927 50 0 HHAARM CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)cc1 ZINC000020722149 132470813 /nfs/dbraw/zinc/47/08/13/132470813.db2.gz ZTQFWMUPWPFVKA-OAQYLSRUSA-N -1 0 411.889 3.972 50 0 HHAARM [O-]c1c([C@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022609191 132475050 /nfs/dbraw/zinc/47/50/50/132475050.db2.gz LJQOTZYBQINSFE-SFHVURJKSA-N -1 0 409.490 3.547 50 0 HHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccccc3C)c(Br)cc2C[C@@H]1C ZINC000040450642 519638811 /nfs/dbraw/zinc/63/88/11/519638811.db2.gz BIEWGSUETUXVQI-LBPRGKRZSA-N -1 0 423.332 3.856 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc(OC)c1 ZINC000045961731 522753740 /nfs/dbraw/zinc/75/37/40/522753740.db2.gz LLISBPDTDABOMZ-UHFFFAOYSA-N -1 0 424.544 3.582 50 0 HHAARM COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000032095215 523250093 /nfs/dbraw/zinc/25/00/93/523250093.db2.gz JGJUNHBZLSALJY-KRWDZBQOSA-N -1 0 420.425 3.737 50 0 HHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1OC ZINC000040267818 525402653 /nfs/dbraw/zinc/40/26/53/525402653.db2.gz PDAVTFSDVFPEMO-OAHLLOKOSA-N -1 0 410.401 3.806 50 0 HHAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020602671 526291523 /nfs/dbraw/zinc/29/15/23/526291523.db2.gz HIROTBZAWLCVQK-UHFFFAOYSA-N -1 0 422.272 3.539 50 0 HHAARM O=C([O-])c1cccc(-c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)c1 ZINC000067649334 526387467 /nfs/dbraw/zinc/38/74/67/526387467.db2.gz ROKAYTWBKWQOQX-UHFFFAOYSA-N -1 0 403.438 3.525 50 0 HHAARM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000032888163 527255446 /nfs/dbraw/zinc/25/54/46/527255446.db2.gz PJAKYSMVIMSZFM-UHFFFAOYSA-N -1 0 403.378 3.590 50 0 HHAARM C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O ZINC000000692830 557061203 /nfs/dbraw/zinc/06/12/03/557061203.db2.gz UUTBRGSTQJFDOS-CQSZACIVSA-N -1 0 414.417 3.994 50 0 HHAARM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000804539 557085912 /nfs/dbraw/zinc/08/59/12/557085912.db2.gz FWPIMHRZDBKOHO-QGZVFWFLSA-N -1 0 417.512 3.740 50 0 HHAARM O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000913164 557116989 /nfs/dbraw/zinc/11/69/89/557116989.db2.gz JLGOXOVUTOOTSI-UHFFFAOYSA-N -1 0 423.903 3.615 50 0 HHAARM COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)[O-])c2)c(OC)c1 ZINC000000991813 557135054 /nfs/dbraw/zinc/13/50/54/557135054.db2.gz OIPNMYHCYRZRLI-UHFFFAOYSA-N -1 0 420.421 3.907 50 0 HHAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C(N)=O)s2)cc1 ZINC000001026370 557145065 /nfs/dbraw/zinc/14/50/65/557145065.db2.gz ODDLWIWSZXBZJG-UHFFFAOYSA-N -1 0 422.915 3.977 50 0 HHAARM CCN1c2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)c3cccc(c23)C1=O ZINC000001052733 557160682 /nfs/dbraw/zinc/16/06/82/557160682.db2.gz AMHVLYHDFAPUNI-UHFFFAOYSA-N -1 0 412.467 3.638 50 0 HHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)c1C ZINC000001088124 557176869 /nfs/dbraw/zinc/17/68/69/557176869.db2.gz RCBKTSYZYLPKRP-RBUKOAKNSA-N -1 0 411.483 3.834 50 0 HHAARM COC(=O)COc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1 ZINC000001125034 557194699 /nfs/dbraw/zinc/19/46/99/557194699.db2.gz MJWWBFXVFLDSAA-UHFFFAOYSA-N -1 0 405.406 3.856 50 0 HHAARM O=S(=O)([N-]c1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC000001152302 557212070 /nfs/dbraw/zinc/21/20/70/557212070.db2.gz AZDGHBCHIHIHMJ-UHFFFAOYSA-N -1 0 422.915 3.942 50 0 HHAARM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1ccc(OCC(=O)[O-])cc1 ZINC000002541693 557355551 /nfs/dbraw/zinc/35/55/51/557355551.db2.gz HBBVCKCCQCQCTJ-UHFFFAOYSA-N -1 0 402.443 3.859 50 0 in-vivo HHAARM O=C(NCc1ccco1)c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000002685100 557367437 /nfs/dbraw/zinc/36/74/37/557367437.db2.gz ZFGIMDPUXUBQIX-UHFFFAOYSA-N -1 0 407.451 3.559 50 0 HHAARM CCOC(=O)[C@]([N-]c1ccccc1OC)(NC(=O)Nc1ccccc1)C(F)(F)F ZINC000003138630 557450499 /nfs/dbraw/zinc/45/04/99/557450499.db2.gz COAYCZQOTQXSIA-SFHVURJKSA-N -1 0 411.380 3.751 50 0 HHAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3ccc(F)cc3)cc2)[n-]c1=O ZINC000034762970 557460432 /nfs/dbraw/zinc/46/04/32/557460432.db2.gz KTVDQASNQHFHHX-OAHLLOKOSA-N -1 0 424.476 3.810 50 0 HHAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034764361 557461374 /nfs/dbraw/zinc/46/13/74/557461374.db2.gz GWNNGJVQWNFNIL-INIZCTEOSA-N -1 0 406.486 3.841 50 0 HHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)c(=O)[n-]2)c1 ZINC000034765138 557461915 /nfs/dbraw/zinc/46/19/15/557461915.db2.gz ZJJHTNLFWKBWOL-HNNXBMFYSA-N -1 0 424.476 3.810 50 0 HHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000034765099 557461931 /nfs/dbraw/zinc/46/19/31/557461931.db2.gz XTJYXBUDHPAINH-OAHLLOKOSA-N -1 0 424.476 3.810 50 0 HHAARM CC(C)COc1cccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000034765613 557462142 /nfs/dbraw/zinc/46/21/42/557462142.db2.gz SITNTMOXEWHJEJ-UHFFFAOYSA-N -1 0 424.476 3.667 50 0 HHAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCC1CCCCC1 ZINC000034767578 557462638 /nfs/dbraw/zinc/46/26/38/557462638.db2.gz HURQLUFXVDPCNK-UHFFFAOYSA-N -1 0 408.424 3.892 50 0 HHAARM Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000004664557 557578213 /nfs/dbraw/zinc/57/82/13/557578213.db2.gz PWULDSGVEYDQPH-UHFFFAOYSA-N -1 0 402.863 3.565 50 0 HHAARM CC1(C)CC(=O)c2c([nH]c3nc(=O)[n-]c(=O)c-3c2-c2ccc(Br)cc2)C1 ZINC000005817514 557676288 /nfs/dbraw/zinc/67/62/88/557676288.db2.gz PUWNHFGDUCAPND-UHFFFAOYSA-N -1 0 414.259 3.608 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1Br ZINC000002737529 557751712 /nfs/dbraw/zinc/75/17/12/557751712.db2.gz VWEPJPPWHHQBQJ-ZJUUUORDSA-N -1 0 403.070 3.817 50 0 HHAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(Cc2cccc(Cl)c2)c1 ZINC000002805031 557763758 /nfs/dbraw/zinc/76/37/58/557763758.db2.gz ZSNKCAVTVMLBBW-UHFFFAOYSA-N -1 0 415.853 3.594 50 0 HHAARM Cc1cc(C)n([N-]C(=O)c2ccc(COc3ccccc3Br)o2)c(=O)c1 ZINC000002791110 557764107 /nfs/dbraw/zinc/76/41/07/557764107.db2.gz UQKQJCMKVRBBAV-UHFFFAOYSA-N -1 0 417.259 3.784 50 0 HHAARM O=c1c2ccccc2cnn1CCc1n[n-]c(=S)n1-c1ccc(F)c(Cl)c1 ZINC000008738194 557803231 /nfs/dbraw/zinc/80/32/31/557803231.db2.gz HFYKZDVJXLVKBC-UHFFFAOYSA-N -1 0 401.854 3.675 50 0 HHAARM [O-]c1c([C@@H](c2ccccc2Cl)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851861 557839486 /nfs/dbraw/zinc/83/94/86/557839486.db2.gz NRZGKBLVCFWMQZ-OAHLLOKOSA-N -1 0 416.890 3.831 50 0 HHAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 ZINC000020604420 558386867 /nfs/dbraw/zinc/38/68/67/558386867.db2.gz ZATNFJJPVDAZHF-UHFFFAOYSA-N -1 0 401.348 3.846 50 0 HHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1OC ZINC000012412052 558401231 /nfs/dbraw/zinc/40/12/31/558401231.db2.gz XTULTIMLNQDAOX-HNNXBMFYSA-N -1 0 422.275 3.802 50 0 HHAARM Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cs1 ZINC000012917984 558484899 /nfs/dbraw/zinc/48/48/99/558484899.db2.gz JSUFXOLRXOZUGN-UHFFFAOYSA-N -1 0 414.508 3.877 50 0 HHAARM COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1CC(=O)[O-] ZINC000013203229 558525424 /nfs/dbraw/zinc/52/54/24/558525424.db2.gz KVYOOJSODPFPBJ-UHFFFAOYSA-N -1 0 403.485 3.595 50 0 HHAARM Cc1nnc(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c32)n1-c1ccccc1 ZINC000013417354 558532088 /nfs/dbraw/zinc/53/20/88/558532088.db2.gz CTRBOZNLPNKZAB-UHFFFAOYSA-N -1 0 412.496 3.778 50 0 HHAARM COc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000025512657 558642298 /nfs/dbraw/zinc/64/22/98/558642298.db2.gz GFHOVHHRAYOHTE-HNNXBMFYSA-N -1 0 402.516 3.675 50 0 HHAARM Cc1cc(Br)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000014632538 558662443 /nfs/dbraw/zinc/66/24/43/558662443.db2.gz OMZNUEOYQKKGLQ-STQMWFEESA-N -1 0 400.269 3.599 50 0 HHAARM O=C([O-])c1cccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 ZINC000004547634 558665305 /nfs/dbraw/zinc/66/53/05/558665305.db2.gz QVXQINYQLDGIJX-PKNBQFBNSA-N -1 0 412.401 3.983 50 0 HHAARM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])c2)c1 ZINC000003154684 558780087 /nfs/dbraw/zinc/78/00/87/558780087.db2.gz LJTVDPOKWKJYBL-UHFFFAOYSA-N -1 0 410.451 3.746 50 0 HHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016626696 558797268 /nfs/dbraw/zinc/79/72/68/558797268.db2.gz LUSPHZZTKHVLCL-UHFFFAOYSA-N -1 0 420.556 3.844 50 0 HHAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2 ZINC000017081972 558813944 /nfs/dbraw/zinc/81/39/44/558813944.db2.gz CPSXQXGIQFTEPV-UHFFFAOYSA-N -1 0 400.500 3.750 50 0 HHAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@@H](C(=O)[O-])C1 ZINC000017082479 558814577 /nfs/dbraw/zinc/81/45/77/558814577.db2.gz HMUFGBIGWBOOGP-GJZGRUSLSA-N -1 0 402.516 3.515 50 0 HHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017082488 558814580 /nfs/dbraw/zinc/81/45/80/558814580.db2.gz UDLVDBPNXKKGGT-ZIAGYGMSSA-N -1 0 402.516 3.515 50 0 HHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094013 558822322 /nfs/dbraw/zinc/82/23/22/558822322.db2.gz NWDRGFDDZIYMNZ-CVEARBPZSA-N -1 0 424.522 3.772 50 0 HHAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1 ZINC000033007332 558827833 /nfs/dbraw/zinc/82/78/33/558827833.db2.gz GGEQCGMSULKOJU-UHFFFAOYSA-N -1 0 402.516 3.984 50 0 HHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013696593 558856503 /nfs/dbraw/zinc/85/65/03/558856503.db2.gz PMBKVQMNZBPHOT-UHFFFAOYSA-N -1 0 412.467 3.600 50 0 HHAARM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651255 558869544 /nfs/dbraw/zinc/86/95/44/558869544.db2.gz CDIORBZSJUAOPQ-ZWKOTPCHSA-N -1 0 419.474 3.647 50 0 HHAARM O=C([O-])[C@H]1CC[C@@H](c2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn32)C1 ZINC000170620156 558881353 /nfs/dbraw/zinc/88/13/53/558881353.db2.gz MZJANNJFIYBDHZ-KGLIPLIRSA-N -1 0 420.856 3.926 50 0 HHAARM Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c(C)c1OCC(=O)[O-] ZINC000058267451 558915810 /nfs/dbraw/zinc/91/58/10/558915810.db2.gz OYXBDRAWCYDEPD-UHFFFAOYSA-N -1 0 418.515 3.558 50 0 HHAARM CC(=O)Nc1ccc2nc(N3CCN(c4cccc(C)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260783 558926298 /nfs/dbraw/zinc/92/62/98/558926298.db2.gz OUUYORHRSHLZTJ-UHFFFAOYSA-N -1 0 404.470 3.526 50 0 HHAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023157403 559022250 /nfs/dbraw/zinc/02/22/50/559022250.db2.gz OBFKQJVSRDZUHO-IBGZPJMESA-N -1 0 423.517 3.856 50 0 HHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000004742083 559044567 /nfs/dbraw/zinc/04/45/67/559044567.db2.gz RIDDLZLXGCNYCC-MRXNPFEDSA-N -1 0 410.495 3.987 50 0 HHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(CC)no3)cs2)cc1 ZINC000033290284 559045354 /nfs/dbraw/zinc/04/53/54/559045354.db2.gz BGVGBSOQQBICOO-UHFFFAOYSA-N -1 0 406.485 3.943 50 0 HHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000100678552 559137722 /nfs/dbraw/zinc/13/77/22/559137722.db2.gz OMNNTRPMFKHCCN-UHFFFAOYSA-N -1 0 408.454 3.936 50 0 HHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000101444087 559146941 /nfs/dbraw/zinc/14/69/41/559146941.db2.gz PBDJJVGDOBOCLO-HNNXBMFYSA-N -1 0 418.478 3.852 50 0 HHAARM COc1ccc(N(C)C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c(OC)c1 ZINC000004920487 559205002 /nfs/dbraw/zinc/20/50/02/559205002.db2.gz CYLRGSFUWBHVOQ-UHFFFAOYSA-N -1 0 402.834 3.742 50 0 HHAARM COC(=O)c1ccc(COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])cc1 ZINC000003358369 560592931 /nfs/dbraw/zinc/59/29/31/560592931.db2.gz WXNDHKXENUPESX-UHFFFAOYSA-N -1 0 420.343 3.740 50 0 HHAARM O=C([O-])C12CC3(Br)CC(Br)(CC(Br)(C3)C1)C2 ZINC000003210420 560733420 /nfs/dbraw/zinc/73/34/20/560733420.db2.gz JJVLVKDIMOPZGT-UHFFFAOYSA-N -1 0 416.935 3.840 50 0 HHAARM Cc1sc(NC(=O)c2ccccc2I)c(C(=O)[O-])c1C ZINC000004155093 560735270 /nfs/dbraw/zinc/73/52/70/560735270.db2.gz JFORUARGWYXYGT-UHFFFAOYSA-N -1 0 401.225 3.920 50 0 HHAARM COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000008189819 560753791 /nfs/dbraw/zinc/75/37/91/560753791.db2.gz IROSTLZTWRZJEA-XNWCZRBMSA-N -1 0 406.232 3.573 50 0 HHAARM CCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000009763727 560759839 /nfs/dbraw/zinc/75/98/39/560759839.db2.gz UFCGSZDSYFQNQB-UHFFFAOYSA-N -1 0 423.288 3.673 50 0 HHAARM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000169589373 560764373 /nfs/dbraw/zinc/76/43/73/560764373.db2.gz WKBREAHLDIKPDY-ZOWXZIJZSA-N -1 0 404.797 3.505 50 0 HHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4nc(OC)ccc4n3)cc2)s1 ZINC000011027385 560771189 /nfs/dbraw/zinc/77/11/89/560771189.db2.gz UYZBAXDQCKGRDR-UHFFFAOYSA-N -1 0 414.512 3.830 50 0 HHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc4nc(C)cc(=O)n34)c2)s1 ZINC000011696353 560773839 /nfs/dbraw/zinc/77/38/39/560773839.db2.gz BBDZGIMYCSCFGN-UHFFFAOYSA-N -1 0 417.537 3.902 50 0 HHAARM CCc1ccc(CNC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1 ZINC000101722659 560798929 /nfs/dbraw/zinc/79/89/29/560798929.db2.gz SOIHBIJJSFTSFR-UHFFFAOYSA-N -1 0 417.440 3.723 50 0 HHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)cc1F ZINC000101722790 560799008 /nfs/dbraw/zinc/79/90/08/560799008.db2.gz SQTJQPWCZKGYFT-UHFFFAOYSA-N -1 0 403.413 3.850 50 0 HHAARM Cc1ccc(F)cc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723031 560799130 /nfs/dbraw/zinc/79/91/30/560799130.db2.gz PVPRFXFJRPXNJL-UHFFFAOYSA-N -1 0 407.376 3.930 50 0 HHAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(F)c3)c([O-])c3cccnc32)cc1 ZINC000101723409 560799213 /nfs/dbraw/zinc/79/92/13/560799213.db2.gz RURMXKUCUCDVAF-UHFFFAOYSA-N -1 0 423.375 3.630 50 0 HHAARM Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc(Cl)c2)c1 ZINC000101802270 560802093 /nfs/dbraw/zinc/80/20/93/560802093.db2.gz ZHUAFVWUOCFOGZ-UHFFFAOYSA-N -1 0 407.861 3.535 50 0 HHAARM COc1ccc(Cl)cc1NC(=O)CCc1c(C)[n-]n(-c2nc(C)cs2)c1=O ZINC000101832671 560803006 /nfs/dbraw/zinc/80/30/06/560803006.db2.gz ZSMHYMRLVQPYEP-UHFFFAOYSA-N -1 0 406.895 3.885 50 0 HHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccccc1F ZINC000101835372 560803273 /nfs/dbraw/zinc/80/32/73/560803273.db2.gz KWMWWENQVIJPAH-LJQANCHMSA-N -1 0 406.417 3.820 50 0 HHAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)c1 ZINC000101836307 560803511 /nfs/dbraw/zinc/80/35/11/560803511.db2.gz LZNLVBKPQZAKPX-GOSISDBHSA-N -1 0 424.844 3.781 50 0 HHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000101836282 560803517 /nfs/dbraw/zinc/80/35/17/560803517.db2.gz KAVGZWGZNAQVDF-GOSISDBHSA-N -1 0 424.844 3.781 50 0 HHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000101836353 560803692 /nfs/dbraw/zinc/80/36/92/560803692.db2.gz GFZDUKBREKYCNP-HXUWFJFHSA-N -1 0 418.453 3.690 50 0 HHAARM COc1ccc([C@@H]2c3c(=O)nc4[n-]c(C)nn4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102326319 560809860 /nfs/dbraw/zinc/80/98/60/560809860.db2.gz GEDGXFNMPOXPGG-INIZCTEOSA-N -1 0 405.458 3.997 50 0 HHAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102478988 560811784 /nfs/dbraw/zinc/81/17/84/560811784.db2.gz LAQBAPRFEZGYCT-RTBURBONSA-N -1 0 419.416 3.591 50 0 HHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1csc(Br)c1)CC3 ZINC000103058298 560837034 /nfs/dbraw/zinc/83/70/34/560837034.db2.gz GPGJUNYQGPBKDN-YHYXMXQVSA-N -1 0 403.257 3.863 50 0 HHAARM CN1C(=O)N[C@H](c2ccccc2Cl)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139955 560890097 /nfs/dbraw/zinc/89/00/97/560890097.db2.gz HKYOQLBETOAUGB-XJKCOSOUSA-N -1 0 418.824 3.848 50 0 HHAARM Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)[O-])COC(C)(C)C4)c1 ZINC000004871692 568421430 /nfs/dbraw/zinc/42/14/30/568421430.db2.gz BHBVUPAEPMAORJ-UHFFFAOYSA-N -1 0 416.524 3.784 50 0 HHAARM CSc1cccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000049003333 568446462 /nfs/dbraw/zinc/44/64/62/568446462.db2.gz PVECRQGUOXUMIU-UHFFFAOYSA-N -1 0 416.528 3.802 50 0 HHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)cc1 ZINC000049543327 568451122 /nfs/dbraw/zinc/45/11/22/568451122.db2.gz BMLQCPDXSZGZIW-INIZCTEOSA-N -1 0 422.437 3.675 50 0 biogenic HHAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000652436 568459310 /nfs/dbraw/zinc/45/93/10/568459310.db2.gz DRYNNGBUJCIXDG-RTBURBONSA-N -1 0 416.499 3.625 50 0 HHAARM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3noc4ccccc43)cc2c1C ZINC000007363556 568480119 /nfs/dbraw/zinc/48/01/19/568480119.db2.gz ZTXALZORVQYFNX-UHFFFAOYSA-N -1 0 400.412 3.860 50 0 HHAARM O=C([O-])/C=C/C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000033330683 568514048 /nfs/dbraw/zinc/51/40/48/568514048.db2.gz ZTFNPQPPGDZZBL-CMDGGOBGSA-N -1 0 420.296 3.899 50 0 HHAARM Cc1nn(Cc2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000095948855 568665715 /nfs/dbraw/zinc/66/57/15/568665715.db2.gz RYQQNLWAMGLTPR-UHFFFAOYSA-N -1 0 412.377 3.546 50 0 HHAARM Cn1c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc2cc(C(F)(F)F)ccc21 ZINC000095969923 568671210 /nfs/dbraw/zinc/67/12/10/568671210.db2.gz RCDSRQQUCNBCPV-GOSISDBHSA-N -1 0 402.372 3.849 50 0 HHAARM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(Cl)s1 ZINC000095995770 568678932 /nfs/dbraw/zinc/67/89/32/568678932.db2.gz NWUBOINMXJNMAO-UHFFFAOYSA-N -1 0 419.855 3.625 50 0 HHAARM O=C([O-])c1cccc([C@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000685944899 568722719 /nfs/dbraw/zinc/72/27/19/568722719.db2.gz GVSPGERDQPJYGM-QFIPXVFZSA-N -1 0 403.434 3.957 50 0 HHAARM O=C([O-])[C@H]1CS[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000003013670 568726920 /nfs/dbraw/zinc/72/69/20/568726920.db2.gz MUWVWLDETLYPGV-GDBMZVCRSA-N -1 0 412.280 3.955 50 0 HHAARM COc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000021931878 568761792 /nfs/dbraw/zinc/76/17/92/568761792.db2.gz LIDYEUKDUMPUNJ-UHFFFAOYSA-N -1 0 411.483 3.760 50 0 HHAARM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022577385 568770203 /nfs/dbraw/zinc/77/02/03/568770203.db2.gz OYXUZXKAXDOPTP-SFHVURJKSA-N -1 0 423.542 3.792 50 0 HHAARM Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(Br)c1 ZINC000002616458 568785523 /nfs/dbraw/zinc/78/55/23/568785523.db2.gz FAMINWYWJRYJOV-UHFFFAOYSA-N -1 0 404.669 3.910 50 0 HHAARM CCn1ncc(-c2ccnc3cc(C(=O)[N-]c4c(F)c(F)cc(F)c4F)nn32)c1C ZINC000002798063 568810474 /nfs/dbraw/zinc/81/04/74/568810474.db2.gz RLOUXBOYOVCOPR-UHFFFAOYSA-N -1 0 418.354 3.730 50 0 HHAARM Cc1c(-n2c(=O)c3c4c(sc3[n-]c2=S)CCCC4)c(=O)n(-c2ccccc2)n1C ZINC000006016806 568835332 /nfs/dbraw/zinc/83/53/32/568835332.db2.gz LTYNJTVEPIWDOD-UHFFFAOYSA-N -1 0 424.551 3.786 50 0 HHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000012605565 568871024 /nfs/dbraw/zinc/87/10/24/568871024.db2.gz JUJSIDMSSSXTEX-UHFFFAOYSA-N -1 0 422.506 3.928 50 0 HHAARM CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc(O)cc1 ZINC000003416364 568899049 /nfs/dbraw/zinc/89/90/49/568899049.db2.gz DLASUJWLWOZODH-UHFFFAOYSA-N -1 0 405.472 3.624 50 0 HHAARM COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)cc1Cl ZINC000001282207 568910586 /nfs/dbraw/zinc/91/05/86/568910586.db2.gz MUUVAZKPSXIINL-UHFFFAOYSA-N -1 0 402.863 3.637 50 0 HHAARM NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004180075 568949225 /nfs/dbraw/zinc/94/92/25/568949225.db2.gz DIKJZBPRGIMLAY-QWHCGFSZSA-N -1 0 404.875 3.773 50 0 HHAARM COc1ccc(CN(C(=O)CSCCC(=O)[O-])[C@H](C)Cc2cccs2)cc1 ZINC000012779011 568956491 /nfs/dbraw/zinc/95/64/91/568956491.db2.gz KNYALBTYHFIEBQ-OAHLLOKOSA-N -1 0 407.557 3.924 50 0 HHAARM COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)ccc1O ZINC000004298594 568959997 /nfs/dbraw/zinc/95/99/97/568959997.db2.gz CZAUUFMNIMDTJQ-NTUHNPAUSA-N -1 0 414.417 3.969 50 0 HHAARM CCCc1c(OC[C@H](O)CSc2cccc(C(=O)[O-])c2)ccc(C(C)=O)c1O ZINC000038990486 569012919 /nfs/dbraw/zinc/01/29/19/569012919.db2.gz FWTHFQBEDBSWPB-HNNXBMFYSA-N -1 0 404.484 3.778 50 0 HHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)[n-]c1=O ZINC000035378050 569034295 /nfs/dbraw/zinc/03/42/95/569034295.db2.gz NDZDYRAJRZDGQL-UHFFFAOYSA-N -1 0 423.498 3.632 50 0 HHAARM Cc1ccccc1S(=O)(=O)Nc1cnc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000035397361 569034816 /nfs/dbraw/zinc/03/48/16/569034816.db2.gz HZNZCZYAMNULHZ-UHFFFAOYSA-N -1 0 411.483 3.525 50 0 HHAARM Cc1cc(C)cc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397447 569034890 /nfs/dbraw/zinc/03/48/90/569034890.db2.gz OSCQQDUKPPXFLV-UHFFFAOYSA-N -1 0 403.504 3.578 50 0 HHAARM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000089323076 569058497 /nfs/dbraw/zinc/05/84/97/569058497.db2.gz SLEJGKLOIGEXNW-UHFFFAOYSA-N -1 0 421.263 3.917 50 0 HHAARM O=C([O-])c1ccc(Cl)c(-c2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000252624106 569060834 /nfs/dbraw/zinc/06/08/34/569060834.db2.gz PGKSTNKFGFAZNI-UHFFFAOYSA-N -1 0 413.773 3.970 50 0 HHAARM Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2)cs1 ZINC000006582350 569067934 /nfs/dbraw/zinc/06/79/34/569067934.db2.gz DVAKZABAHMNVBV-UHFFFAOYSA-N -1 0 402.497 3.937 50 0 HHAARM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000064580629 569068586 /nfs/dbraw/zinc/06/85/86/569068586.db2.gz IYCKXGJEIZHHSD-UHFFFAOYSA-N -1 0 418.515 3.821 50 0 HHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)[n-]c1=O ZINC000064774859 569093430 /nfs/dbraw/zinc/09/34/30/569093430.db2.gz RTGGYDQSNFIEHS-UHFFFAOYSA-N -1 0 423.498 3.550 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc(OC)c1OC ZINC000064845074 569107982 /nfs/dbraw/zinc/10/79/82/569107982.db2.gz YPRCWEPPJKXUSP-UHFFFAOYSA-N -1 0 424.500 3.847 50 0 HHAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000006756051 569112407 /nfs/dbraw/zinc/11/24/07/569112407.db2.gz MNKPCLYBMPIUSC-YOEHRIQHSA-N -1 0 412.914 3.564 50 0 HHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)cc(OC)c1 ZINC000064920434 569121087 /nfs/dbraw/zinc/12/10/87/569121087.db2.gz VBPCQHXGFWNXQZ-UHFFFAOYSA-N -1 0 421.500 3.884 50 0 HHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)c1 ZINC000064920094 569121185 /nfs/dbraw/zinc/12/11/85/569121185.db2.gz XBOJGXBFUQTNNE-UHFFFAOYSA-N -1 0 409.489 3.705 50 0 HHAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000064947317 569129306 /nfs/dbraw/zinc/12/93/06/569129306.db2.gz IEAGIAGTLVUXQC-UHFFFAOYSA-N -1 0 405.863 3.672 50 0 HHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952145 569132683 /nfs/dbraw/zinc/13/26/83/569132683.db2.gz WJPBIUPNRPKMHQ-UHFFFAOYSA-N -1 0 406.529 3.653 50 0 HHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc1Cl ZINC000065031059 569157323 /nfs/dbraw/zinc/15/73/23/569157323.db2.gz YIAMTNJLZXZLGN-UHFFFAOYSA-N -1 0 400.865 3.875 50 0 HHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c(OC)c1 ZINC000006887698 569171164 /nfs/dbraw/zinc/17/11/64/569171164.db2.gz SOTRKOZUWVBKAP-UHFFFAOYSA-N -1 0 418.471 3.785 50 0 HHAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000006887721 569171316 /nfs/dbraw/zinc/17/13/16/569171316.db2.gz PFNWQVPZOJZUES-UHFFFAOYSA-N -1 0 400.456 3.970 50 0 HHAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1 ZINC000065112596 569180613 /nfs/dbraw/zinc/18/06/13/569180613.db2.gz QJBMGIXGQFYLPR-UHFFFAOYSA-N -1 0 404.517 3.781 50 0 HHAARM CC(=O)Nc1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)c1 ZINC000065150509 569184836 /nfs/dbraw/zinc/18/48/36/569184836.db2.gz PKUILGOJMPRWNO-JTQLQIEISA-N -1 0 411.483 3.631 50 0 HHAARM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc2C1 ZINC000065196249 569194616 /nfs/dbraw/zinc/19/46/16/569194616.db2.gz VWTPKYUNCHWLID-UHFFFAOYSA-N -1 0 414.911 3.636 50 0 HHAARM Cc1c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)n1C ZINC000065194588 569192807 /nfs/dbraw/zinc/19/28/07/569192807.db2.gz ZNYGWUVVIPOXTO-UHFFFAOYSA-N -1 0 400.504 3.987 50 0 HHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(-c2nc(-c4ccc(F)cc4)no2)c3[O-])cc1 ZINC000065256958 569208581 /nfs/dbraw/zinc/20/85/81/569208581.db2.gz IGEASEDIBUTWHI-UHFFFAOYSA-N -1 0 403.373 3.584 50 0 HHAARM O=C([O-])c1ccc(C=NNC(=O)c2cc(-c3ccc4c5c(cccc53)CC4)n[nH]2)cc1 ZINC000013145064 569211511 /nfs/dbraw/zinc/21/15/11/569211511.db2.gz LASJNALMRRKSKO-UHFFFAOYSA-N -1 0 410.433 3.791 50 0 HHAARM Cc1cc(C)nc(Sc2ccc(NC(=O)c3n[n-]c4ccccc4c3=O)cc2)n1 ZINC000170624380 569249475 /nfs/dbraw/zinc/24/94/75/569249475.db2.gz WLRALCSHKMMQEB-UHFFFAOYSA-N -1 0 403.467 3.733 50 0 HHAARM C[C@@H](Sc1ccc(NC(=O)CCC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013579153 569256348 /nfs/dbraw/zinc/25/63/48/569256348.db2.gz RZHQKPXMWBHQBL-HUUCEWRRSA-N -1 0 412.511 3.948 50 0 HHAARM CC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)C=C(C)C(=O)[O-])cc2)cc1 ZINC000013579339 569256510 /nfs/dbraw/zinc/25/65/10/569256510.db2.gz RVQCBGHTBXSGAD-QBFSEMIESA-N -1 0 412.467 3.589 50 0 HHAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000013696602 569257105 /nfs/dbraw/zinc/25/71/05/569257105.db2.gz FFDBOJGDZKKCAB-UHFFFAOYSA-N -1 0 404.394 3.562 50 0 HHAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002098375 569281115 /nfs/dbraw/zinc/28/11/15/569281115.db2.gz QWTMAMOWTXOKBZ-KDOFPFPSSA-N -1 0 403.475 3.518 50 0 biogenic HHAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc2oc1=O ZINC000002100109 569281252 /nfs/dbraw/zinc/28/12/52/569281252.db2.gz XIYMXSVLSYROPW-LSDHHAIUSA-N -1 0 403.475 3.581 50 0 biogenic HHAARM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)o1 ZINC000170672716 569297834 /nfs/dbraw/zinc/29/78/34/569297834.db2.gz VRCWFFKZJGIMTG-QRWLVFNGSA-N -1 0 424.497 3.911 50 0 HHAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000007728467 569303659 /nfs/dbraw/zinc/30/36/59/569303659.db2.gz RJKRLZZFLMMFRH-FUHWJXTLSA-N -1 0 416.543 3.910 50 0 HHAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccc(OCCC(C)C)c2)cc1 ZINC000002273760 569327620 /nfs/dbraw/zinc/32/76/20/569327620.db2.gz OTMHAKBLNHDFQN-FQEVSTJZSA-N -1 0 405.516 3.914 50 0 HHAARM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cccc(OCCC(C)C)c2)cc1 ZINC000002273761 569327676 /nfs/dbraw/zinc/32/76/76/569327676.db2.gz OTMHAKBLNHDFQN-HXUWFJFHSA-N -1 0 405.516 3.914 50 0 HHAARM CCc1c(C)sc([N-]C(NC(C)=O)(C(F)(F)F)C(F)(F)F)c1C(=O)OC ZINC000002355686 569385336 /nfs/dbraw/zinc/38/53/36/569385336.db2.gz BVGHQQDDXNSHPH-UHFFFAOYSA-N -1 0 406.348 3.774 50 0 HHAARM Cc1ccc(CN2C(=O)N/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000002375834 569389373 /nfs/dbraw/zinc/38/93/73/569389373.db2.gz XKZAGDFZPGQDNX-MOSHPQCFSA-N -1 0 401.422 3.577 50 0 HHAARM CCCCN1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2CCC1=O ZINC000008840714 571123692 /nfs/dbraw/zinc/12/36/92/571123692.db2.gz XVUJATCSNZJNEG-UHFFFAOYSA-N -1 0 418.515 3.584 50 0 HHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1csc(Br)c1)CC3 ZINC000040068670 571149034 /nfs/dbraw/zinc/14/90/34/571149034.db2.gz GPGJUNYQGPBKDN-BJMVGYQFSA-N -1 0 403.257 3.863 50 0 HHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000009002306 571210169 /nfs/dbraw/zinc/21/01/69/571210169.db2.gz TVYLLCXDBIBNSO-UHFFFAOYSA-N -1 0 419.480 3.665 50 0 HHAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000009151981 571230693 /nfs/dbraw/zinc/23/06/93/571230693.db2.gz MVGZHYWTBIXKIS-UHFFFAOYSA-N -1 0 417.874 3.797 50 0 HHAARM COC(=O)c1c(SCC(=O)Nc2cccc(SC)c2)[n-]c2ccccc2c1=O ZINC000009300281 571245961 /nfs/dbraw/zinc/24/59/61/571245961.db2.gz ZHBMUKLOUWVVDH-UHFFFAOYSA-N -1 0 414.508 3.767 50 0 HHAARM CC(C)(C)NC(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000009310512 571247114 /nfs/dbraw/zinc/24/71/14/571247114.db2.gz DVAKXRDCXJQPFG-UHFFFAOYSA-N -1 0 423.538 3.536 50 0 HHAARM CCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3cccc(C)c3nc21 ZINC000009488607 571262552 /nfs/dbraw/zinc/26/25/52/571262552.db2.gz UIDFQCSVICUERN-UHFFFAOYSA-N -1 0 423.498 3.672 50 0 HHAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccccc2Oc2ccccc2)C1=O ZINC000009579113 571270170 /nfs/dbraw/zinc/27/01/70/571270170.db2.gz IZUHMYCVGIUTJI-QHCPKHFHSA-N -1 0 401.422 3.591 50 0 HHAARM