smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc(-c2ccc(OC)cc2)cs1 ZINC000000646880 568457302 /nfs/dbraw/zinc/45/73/02/568457302.db2.gz IYOUTSWJMMWHGS-FQEVSTJZSA-N -1 0 423.563 5.482 50 10 HKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)c1 ZINC000000693771 132231097 /nfs/dbraw/zinc/23/10/97/132231097.db2.gz GRSJGSCGJJWSBD-DEDYPNTBSA-N -1 0 419.868 5.254 50 10 HKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)c1 ZINC000000843209 524410909 /nfs/dbraw/zinc/41/09/09/524410909.db2.gz PTMVTEPPZDMRRN-XDHOZWIPSA-N -1 0 420.852 5.088 50 10 HKCARM O=C([O-])[C@H]1Nc2c(C(=O)Oc3ccc(-c4ccccc4)cc3)cccc2[C@@H]2C=CC[C@@H]21 ZINC000000917648 568750257 /nfs/dbraw/zinc/75/02/57/568750257.db2.gz MCIYJCSAOJOHTR-PTLVVNQVSA-N -1 0 411.457 5.111 50 10 HKCARM COc1ccc(NCc2c3c(cc(Br)c2[O-])oc2c3CCCC2)cc1 ZINC000000971165 568759199 /nfs/dbraw/zinc/75/91/99/568759199.db2.gz FZUGWOVVSZDBES-UHFFFAOYSA-N -1 0 402.288 5.400 50 10 HKCARM CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000000981065 557130432 /nfs/dbraw/zinc/13/04/32/557130432.db2.gz INKPDLDYDWBQDB-MQHRVFIMSA-N -1 0 405.859 5.133 50 10 HKCARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc4ccccc43)cc1)C2=O ZINC000000990694 557134200 /nfs/dbraw/zinc/13/42/00/557134200.db2.gz DXNOOJSHOKKVRX-UHFFFAOYSA-N -1 0 409.397 5.131 50 10 HKCARM CC(C)(C)c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)cc1 ZINC000000991647 557134772 /nfs/dbraw/zinc/13/47/72/557134772.db2.gz CLMXFIXMMPNFQC-UHFFFAOYSA-N -1 0 415.445 5.275 50 10 HKCARM O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)cc1 ZINC000001043393 557154568 /nfs/dbraw/zinc/15/45/68/557154568.db2.gz ZFBORWSTNVVXDD-UHFFFAOYSA-N -1 0 419.742 5.571 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 ZINC000001058348 560727046 /nfs/dbraw/zinc/72/70/46/560727046.db2.gz SGDGWJYKGHLMDK-GUXCAODWSA-N -1 0 413.926 5.359 50 10 HKCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000001062875 132235975 /nfs/dbraw/zinc/23/59/75/132235975.db2.gz MXWSWOIUKUTNDX-HZHRSRAPSA-N -1 0 422.440 5.508 50 10 HKCARM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000001099022 557178443 /nfs/dbraw/zinc/17/84/43/557178443.db2.gz UPYPBOZJCUDLFJ-UHFFFAOYSA-N -1 0 421.905 5.525 50 10 HKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc(F)c1 ZINC000001135860 557201072 /nfs/dbraw/zinc/20/10/72/557201072.db2.gz QGALEDWDQNHBRP-MLPAPPSSSA-N -1 0 400.283 5.244 50 10 HKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c1 ZINC000001141667 560571737 /nfs/dbraw/zinc/57/17/37/560571737.db2.gz XGQFOFWOFSQWGY-JYRVWZFOSA-N -1 0 410.303 5.097 50 10 HKCARM CC(=O)c1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)c1 ZINC000001144855 557206967 /nfs/dbraw/zinc/20/69/67/557206967.db2.gz GQXGXEOAIRDHAR-UHFFFAOYSA-N -1 0 412.283 5.127 50 10 HKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1ccccc1F ZINC000001159273 557216932 /nfs/dbraw/zinc/21/69/32/557216932.db2.gz MQIABSHHOABQEZ-QPEQYQDCSA-N -1 0 400.283 5.244 50 10 HKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1CCc1ccccc1 ZINC000001166902 568775688 /nfs/dbraw/zinc/77/56/88/568775688.db2.gz IMGWGSZOAFPPDB-GDNBJRDFSA-N -1 0 410.347 5.143 50 10 HKCARM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000001172711 132240202 /nfs/dbraw/zinc/24/02/02/132240202.db2.gz RGOGVUQYKZACJC-CPNJWEJPSA-N -1 0 420.465 5.320 50 10 HKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000001195820 132241651 /nfs/dbraw/zinc/24/16/51/132241651.db2.gz AUZNIKMMSPMDIV-KGENOOAVSA-N -1 0 415.518 5.074 50 10 HKCARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1 ZINC000001198395 568823202 /nfs/dbraw/zinc/82/32/02/568823202.db2.gz GPKVSCVJCCRBTQ-LDADJPATSA-N -1 0 413.520 5.179 50 10 HKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1c2ccccc2cc2ccccc21 ZINC000001225747 568847387 /nfs/dbraw/zinc/84/73/87/568847387.db2.gz JLYSYYUVKYZZLN-HZHRSRAPSA-N -1 0 406.441 5.495 50 10 HKCARM O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cccs1 ZINC000001795871 569053188 /nfs/dbraw/zinc/05/31/88/569053188.db2.gz CZMUKMGKQXFQOQ-UHFFFAOYSA-N -1 0 420.562 5.015 50 10 HKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001875807 132248251 /nfs/dbraw/zinc/24/82/51/132248251.db2.gz LBOUBDAPDVHUTP-STZFKDTASA-N -1 0 413.477 5.218 50 10 HKCARM CCCc1cc2c(cc1OCc1cc(C(=O)[O-])oc1C)oc(=O)cc2-c1ccccc1 ZINC000001902725 557295454 /nfs/dbraw/zinc/29/54/54/557295454.db2.gz PJYFYMFUBQILON-UHFFFAOYSA-N -1 0 418.445 5.591 50 10 HKCARM [O-]c1c(Br)cc2oc3c(c2c1CNc1ccccc1Cl)CCCC3 ZINC000002054244 569072406 /nfs/dbraw/zinc/07/24/06/569072406.db2.gz DIXJYPGSFDLQKK-UHFFFAOYSA-N -1 0 406.707 6.045 50 10 HKCARM CCOC(=O)c1c(NCc2cc(Cl)cc(Cl)c2[O-])sc2c1CCCC2 ZINC000002060243 557303766 /nfs/dbraw/zinc/30/37/66/557303766.db2.gz QFOFOIDWPRBIGX-UHFFFAOYSA-N -1 0 400.327 5.428 50 10 HKCARM CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000002098084 557313387 /nfs/dbraw/zinc/31/33/87/557313387.db2.gz INKPDLDYDWBQDB-XBTXGSBDSA-N -1 0 405.859 5.133 50 10 HKCARM Cc1oc(C(=O)[O-])cc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002110439 569060471 /nfs/dbraw/zinc/06/04/71/569060471.db2.gz HKRDZMUHEKIBNW-UHFFFAOYSA-N -1 0 418.445 5.179 50 10 biogenic HKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000002188968 132249293 /nfs/dbraw/zinc/24/92/93/132249293.db2.gz LJFHEPPSISXOHF-HZHRSRAPSA-N -1 0 406.441 5.808 50 10 HKCARM Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C(=O)[N-]C2=S)c1 ZINC000002211614 132249669 /nfs/dbraw/zinc/24/96/69/132249669.db2.gz CKWWOEAADBBRKZ-LTGZKZEYSA-N -1 0 419.550 5.047 50 10 HKCARM [O-]c1c(Br)cc(Br)cc1C1Nc2cccc3cccc(c32)N1 ZINC000002219140 557328168 /nfs/dbraw/zinc/32/81/68/557328168.db2.gz HESJZHQPMNECEH-UHFFFAOYSA-N -1 0 420.104 5.607 50 10 HKCARM Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C(=O)[N-]C2=S)cc1 ZINC000002244876 132250176 /nfs/dbraw/zinc/25/01/76/132250176.db2.gz RONJOMHKNGWPKV-LTGZKZEYSA-N -1 0 419.550 5.047 50 10 HKCARM CC(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000002277939 132251397 /nfs/dbraw/zinc/25/13/97/132251397.db2.gz DRZHDCZQBDQARN-LICLKQGHSA-N -1 0 402.372 5.336 50 10 HKCARM COc1ccccc1NCc1c2c(cc(Br)c1[O-])oc1c2CCCC1 ZINC000002282955 569364252 /nfs/dbraw/zinc/36/42/52/569364252.db2.gz XVHJKMYIFAATTP-UHFFFAOYSA-N -1 0 402.288 5.400 50 10 HKCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000002336253 535595195 /nfs/dbraw/zinc/59/51/95/535595195.db2.gz OICVIZUIUCFGRZ-CPNJWEJPSA-N -1 0 403.507 5.031 50 10 HKCARM CCCn1cc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c2ccccc21 ZINC000002385389 569391819 /nfs/dbraw/zinc/39/18/19/569391819.db2.gz SXXIOXGIOMXHHD-HMMYKYKNSA-N -1 0 421.566 5.409 50 10 HKCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002387088 569392217 /nfs/dbraw/zinc/39/22/17/569392217.db2.gz IQCRJAJFXZWWRY-HMMYKYKNSA-N -1 0 413.477 5.470 50 10 HKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(C(C)C)c4ccccc34)C2=O)c1 ZINC000002391913 132253906 /nfs/dbraw/zinc/25/39/06/132253906.db2.gz KEKJATMYQQMPIE-UDWIEESQSA-N -1 0 401.466 5.346 50 10 HKCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000002397450 535595129 /nfs/dbraw/zinc/59/51/29/535595129.db2.gz ILHXCUIZRWRKKT-CPNJWEJPSA-N -1 0 403.507 5.031 50 10 HKCARM O=S(=O)([N-]c1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Cl)cc1 ZINC000002617190 568785958 /nfs/dbraw/zinc/78/59/58/568785958.db2.gz IFYMOSLVTGTCAK-UHFFFAOYSA-N -1 0 406.872 5.117 50 10 HKCARM CC(C)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000002617195 568785881 /nfs/dbraw/zinc/78/58/81/568785881.db2.gz UZWFBPGPPWCMSD-UHFFFAOYSA-N -1 0 414.508 5.587 50 10 HKCARM O=S(=O)([N-]c1nc(-c2ccc(Cl)s2)cs1)c1ccc2ccccc2c1 ZINC000002636143 560586618 /nfs/dbraw/zinc/58/66/18/560586618.db2.gz MFZGBQDDPHGHKO-UHFFFAOYSA-N -1 0 406.941 5.479 50 10 HKCARM O=S(=O)([N-]c1cc(Sc2ccccc2)c(O)c2ccccc12)c1cccs1 ZINC000002685413 557740128 /nfs/dbraw/zinc/74/01/28/557740128.db2.gz ANWROCYWIBTMKJ-UHFFFAOYSA-N -1 0 413.545 5.559 50 10 HKCARM O=S(=O)([N-]c1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cl)cc1 ZINC000002736417 557751452 /nfs/dbraw/zinc/75/14/52/557751452.db2.gz BLYIZQKTXMNTEB-UHFFFAOYSA-N -1 0 400.912 5.418 50 10 HKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000002833787 557398279 /nfs/dbraw/zinc/39/82/79/557398279.db2.gz AWKUVVVQMJLMAI-QPEQYQDCSA-N -1 0 416.738 5.758 50 10 HKCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000002883343 557420784 /nfs/dbraw/zinc/42/07/84/557420784.db2.gz JTSKVOSKMLKYDU-JJRVBVJISA-N -1 0 404.691 5.627 50 10 HKCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=S)c1 ZINC000002915743 568816254 /nfs/dbraw/zinc/81/62/54/568816254.db2.gz FCBVPFOHMOLRIT-UNOMPAQXSA-N -1 0 421.499 5.359 50 10 HKCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)c1 ZINC000002916265 558779830 /nfs/dbraw/zinc/77/98/30/558779830.db2.gz FCGUSBLGZMOQJM-UNOMPAQXSA-N -1 0 421.499 5.359 50 10 HKCARM Cc1ccnc(N[C@@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c1 ZINC000002977097 557433527 /nfs/dbraw/zinc/43/35/27/557433527.db2.gz GWIRXRRJIZAMRH-NRFANRHFSA-N -1 0 410.304 6.152 50 10 HKCARM Cc1ccnc(N[C@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c1 ZINC000002977098 557433552 /nfs/dbraw/zinc/43/35/52/557433552.db2.gz GWIRXRRJIZAMRH-OAQYLSRUSA-N -1 0 410.304 6.152 50 10 HKCARM Cc1ccnc(N[C@@H](c2ccc3cccnc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000002977183 557433456 /nfs/dbraw/zinc/43/34/56/557433456.db2.gz LNQAUBSYKUMDRN-NRFANRHFSA-N -1 0 410.304 6.152 50 10 HKCARM Cc1ccnc(N[C@H](c2ccc3cccnc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000002977184 557433569 /nfs/dbraw/zinc/43/35/69/557433569.db2.gz LNQAUBSYKUMDRN-OAQYLSRUSA-N -1 0 410.304 6.152 50 10 HKCARM CCN(CC)c1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 ZINC000002977224 557433535 /nfs/dbraw/zinc/43/35/35/557433535.db2.gz IUSFCIPCWLGARI-DEOSSOPVSA-N -1 0 412.537 5.692 50 10 HKCARM CCN(CC)c1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 ZINC000002977225 557433477 /nfs/dbraw/zinc/43/34/77/557433477.db2.gz IUSFCIPCWLGARI-XMMPIXPASA-N -1 0 412.537 5.692 50 10 HKCARM Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000002989282 557779836 /nfs/dbraw/zinc/77/98/36/557779836.db2.gz NIPCMJRSODUAIK-UNOMPAQXSA-N -1 0 421.499 5.359 50 10 HKCARM Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000002989918 557437533 /nfs/dbraw/zinc/43/75/33/557437533.db2.gz KIBBHTAVUGQTJJ-UNOMPAQXSA-N -1 0 421.499 5.359 50 10 HKCARM Cc1ccc(C)c(NCc2c3c(cc(Br)c2[O-])oc2c3CCCC2)c1 ZINC000003208759 568861782 /nfs/dbraw/zinc/86/17/82/568861782.db2.gz HBZZYCKMGMFBII-UHFFFAOYSA-N -1 0 400.316 6.009 50 10 HKCARM Cc1ccc(NCc2c3c(cc(Br)c2[O-])oc2c3CCCC2)cc1C ZINC000003208851 557456427 /nfs/dbraw/zinc/45/64/27/557456427.db2.gz IEBILUIOWHTALC-UHFFFAOYSA-N -1 0 400.316 6.009 50 10 HKCARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000003218111 568847063 /nfs/dbraw/zinc/84/70/63/568847063.db2.gz KSXRJVXNUZAXOS-UHFFFAOYSA-N -1 0 406.532 5.586 50 10 HKCARM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc2ccccc21 ZINC000003296187 568875092 /nfs/dbraw/zinc/87/50/92/568875092.db2.gz DYTRWNQHPXOUQF-UHFFFAOYSA-N -1 0 420.306 6.077 50 10 HKCARM CC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1 ZINC000003634697 557495802 /nfs/dbraw/zinc/49/58/02/557495802.db2.gz NMASCUNFMWKUCZ-UHFFFAOYSA-N -1 0 412.283 5.127 50 10 HKCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000003644773 568865825 /nfs/dbraw/zinc/86/58/25/568865825.db2.gz OYQYAHPUBRQEQE-FBLLAGFSSA-N -1 0 413.542 6.504 50 10 HKCARM Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000003666929 557497838 /nfs/dbraw/zinc/49/78/38/557497838.db2.gz PHSPDPNIKCARDW-UHFFFAOYSA-N -1 0 413.348 6.341 50 10 HKCARM CCOc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1 ZINC000003672682 557497971 /nfs/dbraw/zinc/49/79/71/557497971.db2.gz JHSGVPOOQRBCIT-UHFFFAOYSA-N -1 0 414.299 5.323 50 10 HKCARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000003865621 568869109 /nfs/dbraw/zinc/86/91/09/568869109.db2.gz ZDVSRIGRNGHUGY-ZQHSETAFSA-N -1 0 421.456 6.720 50 10 HKCARM CCCCC[C@@H]1CCN2c3c(cc(C(=O)[O-])cc31)[C@@H]1C=CC[C@@H]1[C@@H]2c1ccccc1 ZINC000004008075 535126370 /nfs/dbraw/zinc/12/63/70/535126370.db2.gz ANMAACIIBRSHFM-AQHVHYGPSA-N -1 0 401.550 6.673 50 10 HKCARM O=C([O-])[C@H]1Nc2c(C(=O)Oc3ccc(-c4ccccc4)cc3)cccc2[C@H]2C=CC[C@@H]21 ZINC000004090818 568942156 /nfs/dbraw/zinc/94/21/56/568942156.db2.gz MCIYJCSAOJOHTR-IZIIKQMZSA-N -1 0 411.457 5.111 50 10 HKCARM O=C([O-])[C@H]1Nc2c(C(=O)Oc3ccc(-c4ccccc4)cc3)cccc2[C@H]2C=CC[C@H]21 ZINC000004090822 568942272 /nfs/dbraw/zinc/94/22/72/568942272.db2.gz MCIYJCSAOJOHTR-ZYKOEDHHSA-N -1 0 411.457 5.111 50 10 HKCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004168347 568948035 /nfs/dbraw/zinc/94/80/35/568948035.db2.gz OYQYAHPUBRQEQE-SLSDLSHTSA-N -1 0 413.542 6.504 50 10 HKCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004168349 568948043 /nfs/dbraw/zinc/94/80/43/568948043.db2.gz OYQYAHPUBRQEQE-HWBMXIPRSA-N -1 0 413.542 6.504 50 10 HKCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000004168350 568948039 /nfs/dbraw/zinc/94/80/39/568948039.db2.gz OYQYAHPUBRQEQE-RQTOMXEWSA-N -1 0 413.542 6.504 50 10 HKCARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc4ccccc4c3)cc1)C2=O ZINC000004179220 557525399 /nfs/dbraw/zinc/52/53/99/557525399.db2.gz GTSULCIYLWCDFX-UHFFFAOYSA-N -1 0 409.397 5.131 50 10 HKCARM Cc1c(C(=O)[O-])cc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004237720 557531429 /nfs/dbraw/zinc/53/14/29/557531429.db2.gz ZYRFSMPEHOQTDJ-UHFFFAOYSA-N -1 0 424.216 5.932 50 10 HKCARM Cc1c(C(=O)[O-])cc(-c2ccc(C)c(C)c2)n1-c1ccc(F)cc1Br ZINC000004237783 557531519 /nfs/dbraw/zinc/53/15/19/557531519.db2.gz UXXCASCTMBWSQM-UHFFFAOYSA-N -1 0 402.263 5.669 50 10 HKCARM Cc1c(C(=O)[O-])cc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1C ZINC000004237800 557531477 /nfs/dbraw/zinc/53/14/77/557531477.db2.gz RCSJZJMVBGGRJF-UHFFFAOYSA-N -1 0 404.691 5.875 50 10 HKCARM CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(C(=O)[O-])cc2)cc1 ZINC000004248041 568953477 /nfs/dbraw/zinc/95/34/77/568953477.db2.gz ILBXQRTYZFWXCR-QHCPKHFHSA-N -1 0 419.912 5.460 50 10 HKCARM CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(C(=O)[O-])cc2)cc1 ZINC000004248042 568953512 /nfs/dbraw/zinc/95/35/12/568953512.db2.gz ILBXQRTYZFWXCR-HSZRJFAPSA-N -1 0 419.912 5.460 50 10 HKCARM CC[C@@]1(c2ccccc2)O[C@@H](c2cc(Cl)cc(Cl)c2[O-])Nc2ccccc21 ZINC000004307443 557538301 /nfs/dbraw/zinc/53/83/01/557538301.db2.gz CLKFZFXABRSTRU-VXKWHMMOSA-N -1 0 400.305 6.494 50 10 HKCARM CC[C@]1(c2ccccc2)O[C@@H](c2cc(Cl)cc(Cl)c2[O-])Nc2ccccc21 ZINC000004307444 557538337 /nfs/dbraw/zinc/53/83/37/557538337.db2.gz CLKFZFXABRSTRU-FCHUYYIVSA-N -1 0 400.305 6.494 50 10 HKCARM CC[C@@]1(c2ccccc2)O[C@H](c2cc(Cl)cc(Cl)c2[O-])Nc2ccccc21 ZINC000004307446 557538513 /nfs/dbraw/zinc/53/85/13/557538513.db2.gz CLKFZFXABRSTRU-YADHBBJMSA-N -1 0 400.305 6.494 50 10 HKCARM CC[C@]1(c2ccccc2)O[C@H](c2cc(Cl)cc(Cl)c2[O-])Nc2ccccc21 ZINC000004307447 557538560 /nfs/dbraw/zinc/53/85/60/557538560.db2.gz CLKFZFXABRSTRU-FGZHOGPDSA-N -1 0 400.305 6.494 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004363179 557547089 /nfs/dbraw/zinc/54/70/89/557547089.db2.gz ZOJXXDRSGRXKGD-KEYYUXOJSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000004363183 557547022 /nfs/dbraw/zinc/54/70/22/557547022.db2.gz BFERHBIYSDDSTB-KEYYUXOJSA-N -1 0 404.691 5.627 50 10 HKCARM CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000004472148 557556760 /nfs/dbraw/zinc/55/67/60/557556760.db2.gz INKPDLDYDWBQDB-VCBXAZPMSA-N -1 0 405.859 5.133 50 10 HKCARM CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000004472150 557556807 /nfs/dbraw/zinc/55/68/07/557556807.db2.gz INKPDLDYDWBQDB-JSJZUPIVSA-N -1 0 405.859 5.133 50 10 HKCARM CC(C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1 ZINC000004549769 560897602 /nfs/dbraw/zinc/89/76/02/560897602.db2.gz PZKUCBHLMLISTD-UHFFFAOYSA-N -1 0 412.327 6.047 50 10 HKCARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000004551074 558684707 /nfs/dbraw/zinc/68/47/07/558684707.db2.gz RASXAHPXVOTVRS-LDADJPATSA-N -1 0 407.472 5.051 50 10 HKCARM CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000004614935 557572692 /nfs/dbraw/zinc/57/26/92/557572692.db2.gz XNBIJLNPHYRMST-UHFFFAOYSA-N -1 0 423.575 5.338 50 10 HKCARM CC(C)OC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000004651134 557575741 /nfs/dbraw/zinc/57/57/41/557575741.db2.gz HGTNIVXEYNLVSS-UHFFFAOYSA-N -1 0 423.575 5.336 50 10 HKCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000004652246 557576125 /nfs/dbraw/zinc/57/61/25/557576125.db2.gz PUGRHIWSFJDCHB-UHFFFAOYSA-N -1 0 423.575 5.338 50 10 HKCARM O=C(c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1[O-])c1ccccc1 ZINC000004666732 557578743 /nfs/dbraw/zinc/57/87/43/557578743.db2.gz UKQXLDZFOYSZSF-UHFFFAOYSA-N -1 0 408.482 5.962 50 10 HKCARM CCCc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc(-c2ccc(C)cc2)cs1 ZINC000004669048 557579122 /nfs/dbraw/zinc/57/91/22/557579122.db2.gz STSKRXGJLNAZCC-HXUWFJFHSA-N -1 0 407.564 5.782 50 10 HKCARM CCOc1ccc(-c2c[nH+]c(NCc3cc(Cl)ccc3O)n2C[C@H](C)CC)cc1 ZINC000004679299 558890260 /nfs/dbraw/zinc/89/02/60/558890260.db2.gz QZJHZTVTTONZFV-MRXNPFEDSA-N -1 0 413.949 5.966 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000004728028 558984766 /nfs/dbraw/zinc/98/47/66/558984766.db2.gz UPZQBMUNPBQUAC-PBFPGSCMSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000004728029 558984787 /nfs/dbraw/zinc/98/47/87/558984787.db2.gz UPZQBMUNPBQUAC-IIYDPXPESA-N -1 0 404.691 5.627 50 10 HKCARM CCCc1cc2c(cc1OCc1ccc(C(=O)[O-])o1)oc(=O)cc2-c1ccccc1 ZINC000004754933 557593299 /nfs/dbraw/zinc/59/32/99/557593299.db2.gz FOCDGTNTBIORFS-UHFFFAOYSA-N -1 0 404.418 5.283 50 10 HKCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004809977 557600176 /nfs/dbraw/zinc/60/01/76/557600176.db2.gz JTSKVOSKMLKYDU-GRDNDAEWSA-N -1 0 404.691 5.627 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000004853953 559192102 /nfs/dbraw/zinc/19/21/02/559192102.db2.gz COGLTAWLMUZDMX-SIKLNZKXSA-N -1 0 411.288 5.941 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000004853954 559192133 /nfs/dbraw/zinc/19/21/33/559192133.db2.gz COGLTAWLMUZDMX-DENIHFKCSA-N -1 0 411.288 5.941 50 10 HKCARM Cc1cc(O)c(-c2c(O)ccc3ccccc32)cc1[N-]S(=O)(=O)c1cccs1 ZINC000004914203 559203222 /nfs/dbraw/zinc/20/32/22/559203222.db2.gz KQLBGHNARITXTJ-UHFFFAOYSA-N -1 0 411.504 5.089 50 10 HKCARM Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1 ZINC000004950888 559215739 /nfs/dbraw/zinc/21/57/39/559215739.db2.gz XNERTSOMVXRGHG-BOPFTXTBSA-N -1 0 413.260 5.023 50 10 HKCARM Cc1cccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)c1C ZINC000004953818 557617013 /nfs/dbraw/zinc/61/70/13/557617013.db2.gz JWDOOVFUHSLMPT-NVNXTCNLSA-N -1 0 410.347 5.722 50 10 HKCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3ccccc32)o1 ZINC000005025768 559230172 /nfs/dbraw/zinc/23/01/72/559230172.db2.gz CEPJKFDAQFVSJZ-HMMYKYKNSA-N -1 0 412.470 5.045 50 10 HKCARM CCc1ccc(N2N=C(C)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000005050042 557630325 /nfs/dbraw/zinc/63/03/25/557630325.db2.gz LCIXJJUGHZYCTR-KGENOOAVSA-N -1 0 400.434 5.013 50 10 HKCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000005174069 559288312 /nfs/dbraw/zinc/28/83/12/559288312.db2.gz QEIJWMCFXLKTIW-XMHGGMMESA-N -1 0 401.849 5.510 50 10 HKCARM O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000005392772 569255660 /nfs/dbraw/zinc/25/56/60/569255660.db2.gz ZBHZNRJEHKOTCV-QURGRASLSA-N -1 0 406.294 6.210 50 10 HKCARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000005598809 571308501 /nfs/dbraw/zinc/30/85/01/571308501.db2.gz WDKSPOUHIKJSCI-UHFFFAOYSA-N -1 0 412.580 5.967 50 10 HKCARM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000005602165 560629143 /nfs/dbraw/zinc/62/91/43/560629143.db2.gz XLZOOPPLLOEQAC-UHFFFAOYSA-N -1 0 406.290 5.025 50 10 HKCARM CC(=C\c1cc(Cl)ccc1O)/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000005612443 557665164 /nfs/dbraw/zinc/66/51/64/557665164.db2.gz BXWTZAIDGCXROD-BUHHDHKDSA-N -1 0 401.940 5.393 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1CC(c2ccccc2Cl)=NN1c1ccccc1 ZINC000005664720 557667457 /nfs/dbraw/zinc/66/74/57/557667457.db2.gz NVBOPDGVMHHYNE-HXUWFJFHSA-N -1 0 417.723 6.708 50 10 HKCARM Cc1c(Cl)cccc1-c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)o1 ZINC000005724480 560853603 /nfs/dbraw/zinc/85/36/03/560853603.db2.gz REFDYMVJLKFPBF-GZTJUZNOSA-N -1 0 413.260 5.023 50 10 HKCARM Cc1oc2c(c1-c1ccccc1)C(=NNc1ccc(S(=O)(=O)[O-])cc1)C(=O)C=C2 ZINC000005921405 557681089 /nfs/dbraw/zinc/68/10/89/557681089.db2.gz BOYQDMJHWVBGCI-GHVJWSGMSA-N -1 0 408.435 5.776 50 10 HKCARM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl ZINC000005942651 568831330 /nfs/dbraw/zinc/83/13/30/568831330.db2.gz BNCMZGUFGCHNEI-BOPFTXTBSA-N -1 0 413.260 5.023 50 10 HKCARM Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)c1 ZINC000006189916 557693785 /nfs/dbraw/zinc/69/37/85/557693785.db2.gz FSDWNTXNJJYWJQ-UHFFFAOYSA-N -1 0 415.445 5.410 50 10 HKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000006205349 569032961 /nfs/dbraw/zinc/03/29/61/569032961.db2.gz VSCNEOMRDSWJLN-UHFFFAOYSA-N -1 0 410.901 5.081 50 10 HKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 ZINC000006243588 569034596 /nfs/dbraw/zinc/03/45/96/569034596.db2.gz IBUQBCBWTAWLFB-JCMHNJIXSA-N -1 0 413.477 5.163 50 10 HKCARM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000006276603 557697610 /nfs/dbraw/zinc/69/76/10/557697610.db2.gz JTSKVOSKMLKYDU-KEYYUXOJSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc(/N=N/c2ccccc2)cc1 ZINC000006346072 569044535 /nfs/dbraw/zinc/04/45/35/569044535.db2.gz NYMLVMIXGDXTBD-OCOZRVBESA-N -1 0 401.491 6.638 50 10 HKCARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)cc(C(C)(C)C)c1O ZINC000006721266 569099146 /nfs/dbraw/zinc/09/91/46/569099146.db2.gz UUISGIGKHPWDHP-UHFFFAOYSA-N -1 0 412.555 5.336 50 10 HKCARM Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=S)c1 ZINC000006886425 569169634 /nfs/dbraw/zinc/16/96/34/569169634.db2.gz FCBVPFOHMOLRIT-XDHOZWIPSA-N -1 0 421.499 5.359 50 10 HKCARM Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000006973883 557731732 /nfs/dbraw/zinc/73/17/32/557731732.db2.gz KIBBHTAVUGQTJJ-XDHOZWIPSA-N -1 0 421.499 5.359 50 10 HKCARM Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000006973885 557731791 /nfs/dbraw/zinc/73/17/91/557731791.db2.gz NIPCMJRSODUAIK-XDHOZWIPSA-N -1 0 421.499 5.359 50 10 HKCARM CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000008336950 557782525 /nfs/dbraw/zinc/78/25/25/557782525.db2.gz MZWNWJZHJSCACM-LDADJPATSA-N -1 0 420.852 5.413 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000008397065 557786106 /nfs/dbraw/zinc/78/61/06/557786106.db2.gz OXHIJIMJUGOLAP-WHEOYJBGSA-N -1 0 417.538 5.919 50 10 HKCARM O=C1/C(=C\c2cc(Cl)cc(Cl)c2[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000008398615 557786333 /nfs/dbraw/zinc/78/63/33/557786333.db2.gz MAGQNGROLUFUQH-WLRTZDKTSA-N -1 0 416.738 5.758 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000008440226 557789400 /nfs/dbraw/zinc/78/94/00/557789400.db2.gz CAMUYSQHAZHQDP-FTGFMQHASA-N -1 0 409.902 5.647 50 10 HKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000008442940 557789974 /nfs/dbraw/zinc/78/99/74/557789974.db2.gz DCBJMKFMDJQVMV-UNOMPAQXSA-N -1 0 420.852 5.413 50 10 HKCARM Cc1ccc(C(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2[O-])cc1 ZINC000008453619 557791478 /nfs/dbraw/zinc/79/14/78/557791478.db2.gz ZARZEFOJGOQNAS-UHFFFAOYSA-N -1 0 422.509 6.270 50 10 HKCARM O=C(Nc1ccccc1)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1[O-] ZINC000008453620 557791463 /nfs/dbraw/zinc/79/14/63/557791463.db2.gz FIKBTOROKDGCOB-UHFFFAOYSA-N -1 0 423.497 5.983 50 10 HKCARM CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000008461591 569004293 /nfs/dbraw/zinc/00/42/93/569004293.db2.gz MZWNWJZHJSCACM-PDGQHHTCSA-N -1 0 420.852 5.413 50 10 HKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccccc2Cl)o1 ZINC000008738090 132332786 /nfs/dbraw/zinc/33/27/86/132332786.db2.gz XFDKFZJKOVTWKZ-WJDWOHSUSA-N -1 0 410.788 5.246 50 10 HKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000008738125 132332832 /nfs/dbraw/zinc/33/28/32/132332832.db2.gz QQIRZVDXWROZPZ-KQRQPNSISA-N -1 0 414.461 5.967 50 10 HKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000008738126 536021190 /nfs/dbraw/zinc/02/11/90/536021190.db2.gz QQIRZVDXWROZPZ-NOEYKIMYSA-N -1 0 414.461 5.967 50 10 HKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1C ZINC000008738839 132332802 /nfs/dbraw/zinc/33/28/02/132332802.db2.gz ILUJHEGUJATCLW-UNOMPAQXSA-N -1 0 404.397 5.209 50 10 HKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008739716 132332872 /nfs/dbraw/zinc/33/28/72/132332872.db2.gz ROOLIWDOCLWAML-BOPFTXTBSA-N -1 0 410.788 5.246 50 10 HKCARM O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000008749236 557805435 /nfs/dbraw/zinc/80/54/35/557805435.db2.gz BYIUBEXYSDVBCE-AWNIVKPZSA-N -1 0 416.738 5.758 50 10 HKCARM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000008766428 571115659 /nfs/dbraw/zinc/11/56/59/571115659.db2.gz AMYMHOCHSBPUEF-QZQOTICOSA-N -1 0 416.846 5.464 50 10 HKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000008766714 132333121 /nfs/dbraw/zinc/33/31/21/132333121.db2.gz QTWOACZPZSJZJI-UYRXBGFRSA-N -1 0 404.397 5.155 50 10 HKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1C1CCCCC1 ZINC000008768257 132333294 /nfs/dbraw/zinc/33/32/94/132333294.db2.gz MLIQZRDQXODBTL-XSFVSMFZSA-N -1 0 407.539 5.282 50 10 HKCARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1Cl ZINC000008834309 571123079 /nfs/dbraw/zinc/12/30/79/571123079.db2.gz CRDDTRAWDMHSCU-QURGRASLSA-N -1 0 415.858 5.254 50 10 HKCARM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c1 ZINC000008872118 571130574 /nfs/dbraw/zinc/13/05/74/571130574.db2.gz WCPOPCOJKJYAQF-UNOMPAQXSA-N -1 0 421.499 5.046 50 10 HKCARM O=C([O-])c1ccccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000008872377 557813001 /nfs/dbraw/zinc/81/30/01/557813001.db2.gz PNERZDHCXUYCAR-XDHOZWIPSA-N -1 0 421.499 5.046 50 10 HKCARM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)[N-]C1=S ZINC000008914538 132334079 /nfs/dbraw/zinc/33/40/79/132334079.db2.gz HRNVRYHTEGTSSJ-QGOAFFKASA-N -1 0 420.465 5.320 50 10 HKCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000008994668 571208299 /nfs/dbraw/zinc/20/82/99/571208299.db2.gz KUNBVVWSOQKJEU-JCMHNJIXSA-N -1 0 421.456 5.196 50 10 HKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)c1 ZINC000008997237 132334820 /nfs/dbraw/zinc/33/48/20/132334820.db2.gz GRSJGSCGJJWSBD-MOSHPQCFSA-N -1 0 419.868 5.254 50 10 aggregator HKCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000009009452 535595309 /nfs/dbraw/zinc/59/53/09/535595309.db2.gz UHUYHDXQGCZDHA-DEDYPNTBSA-N -1 0 417.534 5.340 50 10 HKCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1c2ccccc2cc2ccccc21 ZINC000009012713 571210950 /nfs/dbraw/zinc/21/09/50/571210950.db2.gz MITBNHLVQVZGDQ-OEAKJJBVSA-N -1 0 424.431 5.634 50 10 HKCARM CCCCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 ZINC000009015838 535276178 /nfs/dbraw/zinc/27/61/78/535276178.db2.gz AFBVPRCSOXSZNL-XMHGGMMESA-N -1 0 423.900 5.009 50 10 HKCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cccc2ccccc12 ZINC000009042730 132335043 /nfs/dbraw/zinc/33/50/43/132335043.db2.gz IUWFMZVOCMGFPY-WQRHYEAKSA-N -1 0 410.351 5.365 50 10 HKCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000009058687 132228010 /nfs/dbraw/zinc/22/80/10/132228010.db2.gz FFRNBXBEOXIFKN-YBEGLDIGSA-N -1 0 413.355 5.002 50 10 HKCARM CCCCCCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000009089995 571220230 /nfs/dbraw/zinc/22/02/30/571220230.db2.gz MCICTZOFGQJIBI-QNGOZBTKSA-N -1 0 407.514 5.285 50 10 HKCARM Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)SC2=S)cc1C ZINC000009232266 571239606 /nfs/dbraw/zinc/23/96/06/571239606.db2.gz GQYSBNVMEUFHLK-OVCLIPMQSA-N -1 0 410.347 5.722 50 10 HKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C2=O)c(C)c1 ZINC000009245592 132337504 /nfs/dbraw/zinc/33/75/04/132337504.db2.gz IUHNTRJCDMDYCG-PGMHBOJBSA-N -1 0 417.509 5.191 50 10 HKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1CCCc1ccccc1 ZINC000009296295 571245911 /nfs/dbraw/zinc/24/59/11/571245911.db2.gz LHOQNSPNKOCZFB-WJDWOHSUSA-N -1 0 424.374 5.533 50 10 HKCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1 ZINC000009304764 557835734 /nfs/dbraw/zinc/83/57/34/557835734.db2.gz XGQFOFWOFSQWGY-MDWZMJQESA-N -1 0 410.303 5.097 50 10 HKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000009305531 571246504 /nfs/dbraw/zinc/24/65/04/571246504.db2.gz KCROZWIHMZKPHI-AUWJEWJLSA-N -1 0 410.303 5.097 50 10 HKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000009318384 571247737 /nfs/dbraw/zinc/24/77/37/571247737.db2.gz BSBWCEOXHSNELW-QNGOZBTKSA-N -1 0 421.456 5.337 50 10 HKCARM Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000009322162 132338652 /nfs/dbraw/zinc/33/86/52/132338652.db2.gz AYPNPGHZRFWVFQ-HZHRSRAPSA-N -1 0 422.509 5.133 50 10 HKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000009356895 132339030 /nfs/dbraw/zinc/33/90/30/132339030.db2.gz MAFVGZAWKISWKF-MOSHPQCFSA-N -1 0 417.440 5.048 50 10 HKCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 ZINC000009361362 132339052 /nfs/dbraw/zinc/33/90/52/132339052.db2.gz GOBKWJVIYZSQPB-SDXDJHTJSA-N -1 0 423.900 5.227 50 10 HKCARM O=C([O-])c1ccc2c3c1cccc3C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O ZINC000009445105 132234125 /nfs/dbraw/zinc/23/41/25/132234125.db2.gz SEXCGDMMRAIYJO-CYYJNZCTSA-N -1 0 421.412 5.754 50 10 HKCARM CCCCCCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000009487101 571262524 /nfs/dbraw/zinc/26/25/24/571262524.db2.gz CLDZMBVZRCIHOL-ZHZULCJRSA-N -1 0 411.477 5.116 50 10 HKCARM O=C(Nc1ccccc1)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1[O-] ZINC000009597249 557846560 /nfs/dbraw/zinc/84/65/60/557846560.db2.gz WXWWFVZVZAEYGU-UHFFFAOYSA-N -1 0 414.408 5.940 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1CC(c2ccccc2Cl)=NN1c1ccccc1 ZINC000012368031 558388842 /nfs/dbraw/zinc/38/88/42/558388842.db2.gz NVBOPDGVMHHYNE-FQEVSTJZSA-N -1 0 417.723 6.708 50 10 HKCARM CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000012412774 568715725 /nfs/dbraw/zinc/71/57/25/568715725.db2.gz OLYVJCRJTGTXIC-UNOMPAQXSA-N -1 0 406.825 5.104 50 10 HKCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1c(Cl)cc(Cl)cc1Cl ZINC000012412811 558401430 /nfs/dbraw/zinc/40/14/30/558401430.db2.gz GDZNKMNCESFCNF-JYRVWZFOSA-N -1 0 415.107 6.019 50 10 HKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000012412855 558401509 /nfs/dbraw/zinc/40/15/09/558401509.db2.gz TXQFJFZRZGWYPG-MLPAPPSSSA-N -1 0 409.656 5.151 50 10 HKCARM O=S(=O)([N-]c1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Cl)s1 ZINC000012532579 568844543 /nfs/dbraw/zinc/84/45/43/568844543.db2.gz AUNQGXIQHFDLHQ-UHFFFAOYSA-N -1 0 412.901 5.179 50 10 HKCARM O=C([O-])CCC/C(=C\c1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1 ZINC000012557368 132363746 /nfs/dbraw/zinc/36/37/46/132363746.db2.gz JXNAGQMUTYRMOX-HTXNQAPBSA-N -1 0 406.551 6.082 50 10 HKCARM Cc1nc(-c2cccc(NC(=O)c3sc4nc(C)c(C)c(C)c4c3[O-])c2)cs1 ZINC000012586085 568866357 /nfs/dbraw/zinc/86/63/57/568866357.db2.gz GLKXBIMTBXITJQ-UHFFFAOYSA-N -1 0 409.536 5.611 50 10 HKCARM O=C([O-])[C@H]1Nc2c(C(=O)Oc3ccc(-c4ccccc4)cc3)cccc2[C@@H]2C=CC[C@H]21 ZINC000013450207 569255649 /nfs/dbraw/zinc/25/56/49/569255649.db2.gz MCIYJCSAOJOHTR-LEEZEASISA-N -1 0 411.457 5.111 50 10 HKCARM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)c1 ZINC000013602697 558547921 /nfs/dbraw/zinc/54/79/21/558547921.db2.gz XTYZAFJGFIELSU-PDGQHHTCSA-N -1 0 413.520 5.179 50 10 HKCARM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)cc1 ZINC000013602700 558547879 /nfs/dbraw/zinc/54/78/79/558547879.db2.gz GPKVSCVJCCRBTQ-PDGQHHTCSA-N -1 0 413.520 5.179 50 10 HKCARM CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000013614431 558847584 /nfs/dbraw/zinc/84/75/84/558847584.db2.gz PMPCSELVGFJXCO-BOPFTXTBSA-N -1 0 423.812 5.020 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000013616340 558549616 /nfs/dbraw/zinc/54/96/16/558549616.db2.gz COGLTAWLMUZDMX-UGKGYDQZSA-N -1 0 411.288 5.941 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616342 558549605 /nfs/dbraw/zinc/54/96/05/558549605.db2.gz COGLTAWLMUZDMX-KNQAVFIVSA-N -1 0 411.288 5.941 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616595 558549602 /nfs/dbraw/zinc/54/96/02/558549602.db2.gz HAPLZNNXHBWHKO-JXFKEZNVSA-N -1 0 417.317 6.003 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616596 558549632 /nfs/dbraw/zinc/54/96/32/558549632.db2.gz HAPLZNNXHBWHKO-OXJNMPFZSA-N -1 0 417.317 6.003 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616598 558549900 /nfs/dbraw/zinc/54/99/00/558549900.db2.gz HAPLZNNXHBWHKO-UZLBHIALSA-N -1 0 417.317 6.003 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616600 558549908 /nfs/dbraw/zinc/54/99/08/558549908.db2.gz HAPLZNNXHBWHKO-OXQOHEQNSA-N -1 0 417.317 6.003 50 10 HKCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000013748343 558589169 /nfs/dbraw/zinc/58/91/69/558589169.db2.gz LDVAMJOHXZWZFM-WOJGMQOQSA-N -1 0 423.925 5.376 50 10 HKCARM O=c1c(N=Nc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000013775620 558592580 /nfs/dbraw/zinc/59/25/80/558592580.db2.gz SUMRBHVGPZHKRG-OCOZRVBESA-N -1 0 409.276 6.967 50 10 HKCARM CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000013786052 558593274 /nfs/dbraw/zinc/59/32/74/558593274.db2.gz XXYFMFFFHARMHY-UNOMPAQXSA-N -1 0 420.852 5.413 50 10 HKCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000013801333 558594848 /nfs/dbraw/zinc/59/48/48/558594848.db2.gz JVONPAIHJBUCCZ-ATVHPVEESA-N -1 0 406.825 5.104 50 10 HKCARM N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013810436 558595387 /nfs/dbraw/zinc/59/53/87/558595387.db2.gz IUTZIZIKWPGJPJ-RKJCFWPUSA-N -1 0 416.289 5.003 50 10 HKCARM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 ZINC000013880869 558599424 /nfs/dbraw/zinc/59/94/24/558599424.db2.gz RUPWORKYOYIOPC-ODLFYWEKSA-N -1 0 423.421 5.020 50 10 HKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000013942979 558605217 /nfs/dbraw/zinc/60/52/17/558605217.db2.gz PASWFDLKYHSHMR-UNOMPAQXSA-N -1 0 405.431 5.194 50 10 HKCARM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000014946053 558679923 /nfs/dbraw/zinc/67/99/23/558679923.db2.gz AEZGRQSLKVNPCI-UNOMPAQXSA-N -1 0 421.499 5.046 50 10 in-vitro HKCARM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1 ZINC000015011556 558700521 /nfs/dbraw/zinc/70/05/21/558700521.db2.gz HSWANJMVRCZQSF-LDADJPATSA-N -1 0 407.472 5.051 50 10 HKCARM O=C([O-])c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000015011691 558700703 /nfs/dbraw/zinc/70/07/03/558700703.db2.gz WFBHPOADSUFDHU-LDADJPATSA-N -1 0 407.472 5.051 50 10 HKCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000015218408 558728257 /nfs/dbraw/zinc/72/82/57/558728257.db2.gz RHPWFSMGWWBNSF-LSYCYVAJSA-N -1 0 411.672 6.087 50 10 HKCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000015218411 558728207 /nfs/dbraw/zinc/72/82/07/558728207.db2.gz RHPWFSMGWWBNSF-LYGAQUJYSA-N -1 0 411.672 6.087 50 10 HKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 ZINC000016157771 569029507 /nfs/dbraw/zinc/02/95/07/569029507.db2.gz UAHKSRRXJNYYCS-XDHOZWIPSA-N -1 0 420.852 5.413 50 10 HKCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000016193112 558777460 /nfs/dbraw/zinc/77/74/60/558777460.db2.gz PHWGSZUKVYVWON-AUWJEWJLSA-N -1 0 410.303 5.097 50 10 HKCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)cc1 ZINC000016193284 558777421 /nfs/dbraw/zinc/77/74/21/558777421.db2.gz IEIMQIVWYRUZIA-UNOMPAQXSA-N -1 0 421.499 5.359 50 10 HKCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000016193413 558777454 /nfs/dbraw/zinc/77/74/54/558777454.db2.gz WUKCPHYOEOXDGM-AUWJEWJLSA-N -1 0 410.303 5.097 50 10 HKCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016225845 558779464 /nfs/dbraw/zinc/77/94/64/558779464.db2.gz CAECPSVPLDCWFW-UNOMPAQXSA-N -1 0 406.825 5.104 50 10 HKCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 ZINC000016247890 558776725 /nfs/dbraw/zinc/77/67/25/558776725.db2.gz DBZLMVFREYPVIW-UNOMPAQXSA-N -1 0 420.852 5.413 50 10 HKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 ZINC000016250046 558781120 /nfs/dbraw/zinc/78/11/20/558781120.db2.gz UAHKSRRXJNYYCS-UNOMPAQXSA-N -1 0 420.852 5.413 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000016399500 569030466 /nfs/dbraw/zinc/03/04/66/569030466.db2.gz SGDGWJYKGHLMDK-JXXFODFXSA-N -1 0 413.926 5.359 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000016399501 569030533 /nfs/dbraw/zinc/03/05/33/569030533.db2.gz SGDGWJYKGHLMDK-GQIGUUNPSA-N -1 0 413.926 5.359 50 10 HKCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000016448010 558791718 /nfs/dbraw/zinc/79/17/18/558791718.db2.gz JTSKVOSKMLKYDU-JKIFEVAISA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000016448012 558791638 /nfs/dbraw/zinc/79/16/38/558791638.db2.gz JTSKVOSKMLKYDU-CKEIUWERSA-N -1 0 404.691 5.627 50 10 HKCARM Cc1ccc(S(=O)(=O)Nc2c(Cl)c(Cl)c([O-])c(Cl)c2Cl)cc1 ZINC000016779988 558806765 /nfs/dbraw/zinc/80/67/65/558806765.db2.gz SFLFNKBWYQLTKB-UHFFFAOYSA-N -1 0 401.098 5.115 50 10 HKCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1c2ccccc2cc2ccccc21 ZINC000017027234 569271882 /nfs/dbraw/zinc/27/18/82/569271882.db2.gz OQCVRBFBFQSRRI-ZHZULCJRSA-N -1 0 410.404 5.639 50 10 HKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000017044316 558812748 /nfs/dbraw/zinc/81/27/48/558812748.db2.gz BVENCVKUWIWASK-GZTJUZNOSA-N -1 0 410.788 5.246 50 10 HKCARM O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1 ZINC000017082603 558814813 /nfs/dbraw/zinc/81/48/13/558814813.db2.gz MJMMWWBBLGSKTP-UHFFFAOYSA-N -1 0 403.287 5.057 50 10 HKCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000017248395 535595697 /nfs/dbraw/zinc/59/56/97/535595697.db2.gz YIPKGRQFCCOFBQ-QGOAFFKASA-N -1 0 403.507 5.031 50 10 HKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000017249704 132465464 /nfs/dbraw/zinc/46/54/64/132465464.db2.gz CDCCCLRBBMZLPE-STZFKDTASA-N -1 0 415.518 5.074 50 10 HKCARM O=C([O-])c1cc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1Cl ZINC000018191772 560782064 /nfs/dbraw/zinc/78/20/64/560782064.db2.gz DTVKMQQHNIIAQK-CYYJNZCTSA-N -1 0 402.841 6.511 50 10 HKCARM O=S(=O)([O-])c1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000018191782 560782052 /nfs/dbraw/zinc/78/20/52/560782052.db2.gz VKLGUVRHXMGJRL-OCOZRVBESA-N -1 0 404.451 5.406 50 10 HKCARM O=S(=O)([O-])c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000018191784 560782016 /nfs/dbraw/zinc/78/20/16/560782016.db2.gz VFJNYADUKAOBAP-OCOZRVBESA-N -1 0 404.451 5.406 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019323992 558867539 /nfs/dbraw/zinc/86/75/39/558867539.db2.gz NYXUSCSSPZGJAX-UHFFFAOYSA-N -1 0 413.348 5.716 50 10 HKCARM CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000019808938 569430557 /nfs/dbraw/zinc/43/05/57/569430557.db2.gz YQHPCXQTAIARIZ-UNOMPAQXSA-N -1 0 420.852 5.413 50 10 HKCARM CCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000020032726 568586416 /nfs/dbraw/zinc/58/64/16/568586416.db2.gz XKFDZMHDSCRSGZ-QFIPXVFZSA-N -1 0 421.497 5.368 50 10 HKCARM CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000020032730 568586494 /nfs/dbraw/zinc/58/64/94/568586494.db2.gz XKFDZMHDSCRSGZ-JOCHJYFZSA-N -1 0 421.497 5.368 50 10 HKCARM C[C@@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2ccc(SC3CCCCC3)o2)C1=O ZINC000020238454 568595748 /nfs/dbraw/zinc/59/57/48/568595748.db2.gz QYSBPWNJJDPGPG-NOMGLIDZSA-N -1 0 424.522 5.768 50 10 HKCARM C[C@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2ccc(SC3CCCCC3)o2)C1=O ZINC000020238457 568595672 /nfs/dbraw/zinc/59/56/72/568595672.db2.gz QYSBPWNJJDPGPG-ATPAHOSSSA-N -1 0 424.522 5.768 50 10 HKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC4CCCCC4)o3)C2=O)cc1 ZINC000020238544 568595658 /nfs/dbraw/zinc/59/56/58/568595658.db2.gz MEJMCNPTNNOYTO-RGEXLXHISA-N -1 0 424.522 5.774 50 10 HKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(SC2CCCCC2)o1 ZINC000020238559 568595602 /nfs/dbraw/zinc/59/56/02/568595602.db2.gz LPISUVFRJZTLAM-ATVHPVEESA-N -1 0 414.458 5.350 50 10 HKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(SC2CCCCC2)o1 ZINC000020238583 527047152 /nfs/dbraw/zinc/04/71/52/527047152.db2.gz IYSHJTHPMZZLBS-AQTBWJFISA-N -1 0 410.495 5.207 50 10 HKCARM O=[N+]([O-])c1ccc([O-])c([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000020506472 558381248 /nfs/dbraw/zinc/38/12/48/558381248.db2.gz HECOOGIMGIPIGR-RUZDIDTESA-N -1 0 424.456 5.733 50 10 HKCARM O=[N+]([O-])c1ccc([O-])c([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000020506474 558381241 /nfs/dbraw/zinc/38/12/41/558381241.db2.gz HECOOGIMGIPIGR-VWLOTQADSA-N -1 0 424.456 5.733 50 10 HKCARM O=c1c2ccc([O-])c(CN3CCCC[C@H]3c3cccnc3)c2occ1-c1ccccc1 ZINC000020762855 568642628 /nfs/dbraw/zinc/64/26/28/568642628.db2.gz NSGCFKWFBQELNH-QHCPKHFHSA-N -1 0 412.489 5.288 50 10 biogenic HKCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000022146090 568765024 /nfs/dbraw/zinc/76/50/24/568765024.db2.gz FKOOCCZQGUDXHM-BFQNTYOBSA-N -1 0 421.678 5.543 50 10 HKCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000022146099 568765003 /nfs/dbraw/zinc/76/50/03/568765003.db2.gz FKOOCCZQGUDXHM-XHBSWPGZSA-N -1 0 421.678 5.543 50 10 HKCARM O=C([O-])c1cc(-c2cccc(NN=C3C(=O)C=Cc4ccccc43)c2)nc2ccccc21 ZINC000023114767 559012633 /nfs/dbraw/zinc/01/26/33/559012633.db2.gz XGTCXTQTJRVCLE-ZQHSETAFSA-N -1 0 419.440 6.874 50 10 HKCARM O=C([O-])c1cc(-c2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2)nc2ccccc21 ZINC000023115109 559012726 /nfs/dbraw/zinc/01/27/26/559012726.db2.gz KSMUWNGQMAFQNV-ZQHSETAFSA-N -1 0 419.440 6.874 50 10 HKCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000027062663 569072246 /nfs/dbraw/zinc/07/22/46/569072246.db2.gz LOAFBHNMJPEINV-ATVHPVEESA-N -1 0 406.825 5.104 50 10 HKCARM O=c1c2ccc([O-])c(CN3CCCC[C@@H]3c3cccnc3)c2occ1-c1ccccc1 ZINC000027100499 569277752 /nfs/dbraw/zinc/27/77/52/569277752.db2.gz NSGCFKWFBQELNH-HSZRJFAPSA-N -1 0 412.489 5.288 50 10 HKCARM O=C([O-])c1cc(-c2ccc(NN=C3C=CC(=O)c4ccccc43)cc2)nc2ccccc21 ZINC000027495891 569325189 /nfs/dbraw/zinc/32/51/89/569325189.db2.gz RELFBJRYKDQCQD-ZQHSETAFSA-N -1 0 419.440 6.874 50 10 HKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000027527769 569364107 /nfs/dbraw/zinc/36/41/07/569364107.db2.gz VKGLRLFNHCTGGQ-UNOMPAQXSA-N -1 0 406.825 5.104 50 10 HKCARM CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000027548727 569372528 /nfs/dbraw/zinc/37/25/28/569372528.db2.gz YOLWIZWKHROFPY-UNOMPAQXSA-N -1 0 420.852 5.413 50 10 HKCARM CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000032099527 520892557 /nfs/dbraw/zinc/89/25/57/520892557.db2.gz YQHPCXQTAIARIZ-XDHOZWIPSA-N -1 0 420.852 5.413 50 10 HKCARM CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000032916742 521296414 /nfs/dbraw/zinc/29/64/14/521296414.db2.gz VGKUWGPJFCCCLR-STZFKDTASA-N -1 0 414.461 5.362 50 10 HKCARM CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000032916746 521297684 /nfs/dbraw/zinc/29/76/84/521297684.db2.gz ZXFVMHVBWGGGPC-ZHZULCJRSA-N -1 0 400.434 5.054 50 10 HKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033247522 558916626 /nfs/dbraw/zinc/91/66/26/558916626.db2.gz VUFYQISVNGEIDQ-HYARGMPZSA-N -1 0 413.477 5.218 50 10 HKCARM COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000033286600 559043710 /nfs/dbraw/zinc/04/37/10/559043710.db2.gz OOTBKODRYZDGRO-PDGQHHTCSA-N -1 0 422.893 5.173 50 10 HKCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000033293949 558765464 /nfs/dbraw/zinc/76/54/64/558765464.db2.gz PHUUQWBXVRTFKW-NDENLUEZSA-N -1 0 419.458 5.190 50 10 HKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000033293950 558765379 /nfs/dbraw/zinc/76/53/79/558765379.db2.gz ZGMNMBBPQYLJIG-NDENLUEZSA-N -1 0 419.458 5.190 50 10 HKCARM CC(C)Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000033333458 559063340 /nfs/dbraw/zinc/06/33/40/559063340.db2.gz AOYGGTQPIDNWRL-ODLFYWEKSA-N -1 0 421.497 5.108 50 10 HKCARM CC(C)Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000033333461 559063291 /nfs/dbraw/zinc/06/32/91/559063291.db2.gz WKFWQQOICPDNJP-BOPFTXTBSA-N -1 0 421.497 5.108 50 10 HKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000033334135 559063130 /nfs/dbraw/zinc/06/31/30/559063130.db2.gz DCBJMKFMDJQVMV-XDHOZWIPSA-N -1 0 420.852 5.413 50 10 HKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000033343269 132789246 /nfs/dbraw/zinc/78/92/46/132789246.db2.gz LMUQTURAVPCLPX-BKUYFWCQSA-N -1 0 417.440 5.048 50 10 HKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000033788085 559245586 /nfs/dbraw/zinc/24/55/86/559245586.db2.gz BYIUBEXYSDVBCE-MLPAPPSSSA-N -1 0 416.738 5.758 50 10 HKCARM O=C1/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000033921695 560538934 /nfs/dbraw/zinc/53/89/34/560538934.db2.gz MAGQNGROLUFUQH-ACAGNQJTSA-N -1 0 416.738 5.758 50 10 HKCARM O=C([O-])c1ccc(-c2ccc(C=C3SC(Nc4ccccc4)=NC3=O)o2)cc1Cl ZINC000034847642 557469011 /nfs/dbraw/zinc/46/90/11/557469011.db2.gz LCDXQIZGDCWXSD-WQRHYEAKSA-N -1 0 424.865 5.381 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000037613805 569310065 /nfs/dbraw/zinc/31/00/65/569310065.db2.gz DVJSXCPNEHBBTO-IGCXYCKISA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000037613807 569310053 /nfs/dbraw/zinc/31/00/53/569310053.db2.gz UPZQBMUNPBQUAC-IGCXYCKISA-N -1 0 404.691 5.627 50 10 HKCARM CCCCc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000038159938 568974197 /nfs/dbraw/zinc/97/41/97/568974197.db2.gz WEVUWQJYWHPRLT-UYRXBGFRSA-N -1 0 403.507 5.182 50 10 HKCARM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2c(Cl)cccc2Cl)S1 ZINC000039870068 571134953 /nfs/dbraw/zinc/13/49/53/571134953.db2.gz HRBMGMNBPKGVND-NVNXTCNLSA-N -1 0 407.278 5.082 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000043769626 526369939 /nfs/dbraw/zinc/36/99/39/526369939.db2.gz DVJSXCPNEHBBTO-IIYDPXPESA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000043769681 559049779 /nfs/dbraw/zinc/04/97/79/559049779.db2.gz ZOJXXDRSGRXKGD-CKEIUWERSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000043769712 559049814 /nfs/dbraw/zinc/04/98/14/559049814.db2.gz BFERHBIYSDDSTB-CKEIUWERSA-N -1 0 404.691 5.627 50 10 HKCARM Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362848 569027465 /nfs/dbraw/zinc/02/74/65/569027465.db2.gz KQQKEJJUJBXMPM-FYYLOGMGSA-N -1 0 411.332 6.230 50 10 HKCARM Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362849 569027443 /nfs/dbraw/zinc/02/74/43/569027443.db2.gz KQQKEJJUJBXMPM-JTHBVZDNSA-N -1 0 411.332 6.230 50 10 HKCARM Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362851 569027436 /nfs/dbraw/zinc/02/74/36/569027436.db2.gz KQQKEJJUJBXMPM-GGAORHGYSA-N -1 0 411.332 6.230 50 10 HKCARM Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362853 569027449 /nfs/dbraw/zinc/02/74/49/569027449.db2.gz KQQKEJJUJBXMPM-GMAHTHKFSA-N -1 0 411.332 6.230 50 10 HKCARM COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362898 569027457 /nfs/dbraw/zinc/02/74/57/569027457.db2.gz STXRYWYIMMCUAU-ISKFKSNPSA-N -1 0 406.913 5.585 50 10 HKCARM COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362900 569027460 /nfs/dbraw/zinc/02/74/60/569027460.db2.gz STXRYWYIMMCUAU-VWNXMTODSA-N -1 0 406.913 5.585 50 10 HKCARM COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362903 569027463 /nfs/dbraw/zinc/02/74/63/569027463.db2.gz STXRYWYIMMCUAU-LADGPHEKSA-N -1 0 406.913 5.585 50 10 HKCARM COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362906 569027469 /nfs/dbraw/zinc/02/74/69/569027469.db2.gz STXRYWYIMMCUAU-UPVQGACJSA-N -1 0 406.913 5.585 50 10 HKCARM COc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362908 569027489 /nfs/dbraw/zinc/02/74/89/569027489.db2.gz UELUDUHRLBGDFP-ISKFKSNPSA-N -1 0 422.912 5.285 50 10 HKCARM COc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362911 569027483 /nfs/dbraw/zinc/02/74/83/569027483.db2.gz UELUDUHRLBGDFP-VWNXMTODSA-N -1 0 422.912 5.285 50 10 HKCARM COc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362913 569027492 /nfs/dbraw/zinc/02/74/92/569027492.db2.gz UELUDUHRLBGDFP-LADGPHEKSA-N -1 0 422.912 5.285 50 10 HKCARM COc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362914 569027439 /nfs/dbraw/zinc/02/74/39/569027439.db2.gz UELUDUHRLBGDFP-UPVQGACJSA-N -1 0 422.912 5.285 50 10 HKCARM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055292376 558878555 /nfs/dbraw/zinc/87/85/55/558878555.db2.gz SSKIVDIAEYKORI-UHFFFAOYSA-N -1 0 405.247 5.040 50 10 HKCARM CCN(CC)c1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000057209329 558887672 /nfs/dbraw/zinc/88/76/72/558887672.db2.gz XFVOSKATXDUXTO-PJCCXHTNSA-N -1 0 400.522 5.902 50 10 HKCARM CCN(CC)c1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000057209333 558887763 /nfs/dbraw/zinc/88/77/63/558887763.db2.gz XFVOSKATXDUXTO-FDCFBWIESA-N -1 0 400.522 5.902 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000059267081 558933098 /nfs/dbraw/zinc/93/30/98/558933098.db2.gz UPZQBMUNPBQUAC-XNJGSVPQSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000059267083 558933161 /nfs/dbraw/zinc/93/31/61/558933161.db2.gz DVJSXCPNEHBBTO-XNJGSVPQSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000059267088 558933141 /nfs/dbraw/zinc/93/31/41/558933141.db2.gz MKOFQTBORATOJG-CZIZLABSSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000059267089 558933163 /nfs/dbraw/zinc/93/31/63/558933163.db2.gz MKOFQTBORATOJG-VGTOOOLASA-N -1 0 404.691 5.627 50 10 HKCARM CC(C)Cc1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000085875919 569009536 /nfs/dbraw/zinc/00/95/36/569009536.db2.gz GYLVZKRHQPKTGC-UHFFFAOYSA-N -1 0 409.486 5.129 50 10 biogenic HKCARM CC(C)Cc1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000085877056 569009634 /nfs/dbraw/zinc/00/96/34/569009634.db2.gz CGAJEPIXKXMZPX-UHFFFAOYSA-N -1 0 423.513 5.519 50 10 biogenic HKCARM CC(C)c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000085877351 569009569 /nfs/dbraw/zinc/00/95/69/569009569.db2.gz LTEDWVYSOXVZLI-UHFFFAOYSA-N -1 0 409.486 5.444 50 10 biogenic HKCARM CCCC[C@@H](CC)c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCC1 ZINC000085878635 569009684 /nfs/dbraw/zinc/00/96/84/569009684.db2.gz MHDFLGUJTBHUSM-CYBMUJFWSA-N -1 0 423.513 5.834 50 10 biogenic HKCARM CCCC[C@H](CC)c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCC1 ZINC000085878639 569009675 /nfs/dbraw/zinc/00/96/75/569009675.db2.gz MHDFLGUJTBHUSM-ZDUSSCGKSA-N -1 0 423.513 5.834 50 10 biogenic HKCARM CC(C)c1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000085879337 569009843 /nfs/dbraw/zinc/00/98/43/569009843.db2.gz WNZMTDMGFHPYDJ-UHFFFAOYSA-N -1 0 417.465 5.407 50 10 biogenic HKCARM CSc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000095476812 568630760 /nfs/dbraw/zinc/63/07/60/568630760.db2.gz BSULJHGUIVPTJW-UHFFFAOYSA-N -1 0 421.478 5.417 50 10 HKCARM O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccccc3)c12 ZINC000095477041 568630710 /nfs/dbraw/zinc/63/07/10/568630710.db2.gz HLFMQMHIGBTEQW-UHFFFAOYSA-N -1 0 415.449 5.620 50 10 HKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccccc1Cl ZINC000095477739 568631268 /nfs/dbraw/zinc/63/12/68/568631268.db2.gz JLQQDPKPXUHLIM-UHFFFAOYSA-N -1 0 409.829 5.349 50 10 HKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(Cl)cc1 ZINC000095477996 568631412 /nfs/dbraw/zinc/63/14/12/568631412.db2.gz RARMMUSXUNWKCN-UHFFFAOYSA-N -1 0 409.829 5.349 50 10 HKCARM O=C1N[C@H](c2cc(Cl)cc(Br)c2[O-])Nc2sc3c(c21)CCCC3 ZINC000095920302 568659886 /nfs/dbraw/zinc/65/98/86/568659886.db2.gz VMUVYMRRGVZRGP-AWEZNQCLSA-N -1 0 413.724 5.177 50 10 HKCARM O=C1N[C@@H](c2cc(Cl)cc(Br)c2[O-])Nc2sc3c(c21)CCCC3 ZINC000095920303 568659949 /nfs/dbraw/zinc/65/99/49/568659949.db2.gz VMUVYMRRGVZRGP-CQSZACIVSA-N -1 0 413.724 5.177 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000096006220 568682591 /nfs/dbraw/zinc/68/25/91/568682591.db2.gz ZOJXXDRSGRXKGD-CPUCHLNUSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])CCC/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1 ZINC000096861794 132227438 /nfs/dbraw/zinc/22/74/38/132227438.db2.gz JXNAGQMUTYRMOX-ZPHPHTNESA-N -1 0 406.551 6.082 50 10 HKCARM O=C([O-])CS/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1 ZINC000097998087 132227259 /nfs/dbraw/zinc/22/72/59/132227259.db2.gz VNNQLMKBMJHDFE-XSFVSMFZSA-N -1 0 410.564 5.603 50 10 HKCARM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1ccccc1Cl ZINC000098087318 559065395 /nfs/dbraw/zinc/06/53/95/559065395.db2.gz HPGRDASDRANFGR-FLIBITNWSA-N -1 0 415.107 6.019 50 10 HKCARM CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000100076112 559129667 /nfs/dbraw/zinc/12/96/67/559129667.db2.gz OLYVJCRJTGTXIC-XDHOZWIPSA-N -1 0 406.825 5.104 50 10 HKCARM CC(=Nc1ccccc1C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094198 559129789 /nfs/dbraw/zinc/12/97/89/559129789.db2.gz HRWSZQSDIUSKQF-VBKFSLOCSA-N -1 0 416.428 5.256 50 10 HKCARM CC(=Nc1ccccc1C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094203 559143707 /nfs/dbraw/zinc/14/37/07/559143707.db2.gz HRWSZQSDIUSKQF-FOWTUZBSSA-N -1 0 416.428 5.256 50 10 HKCARM CC(=Nc1ccc(C)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094890 559146665 /nfs/dbraw/zinc/14/66/65/559146665.db2.gz MVMYUMHYRYIKAZ-FOWTUZBSSA-N -1 0 416.428 5.256 50 10 HKCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000100148037 559164460 /nfs/dbraw/zinc/16/44/60/559164460.db2.gz JVONPAIHJBUCCZ-SFQUDFHCSA-N -1 0 406.825 5.104 50 10 HKCARM CC(=Nc1cc(Cl)ccc1Cl)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000100423068 559134964 /nfs/dbraw/zinc/13/49/64/559134964.db2.gz LUCWRTJVQQFSBY-LICLKQGHSA-N -1 0 405.241 5.010 50 10 HKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(C)c4)c3=O)n2)cc1 ZINC000100510804 559135956 /nfs/dbraw/zinc/13/59/56/559135956.db2.gz QCADXQHJRYMBHX-FYTMPNSFSA-N -1 0 405.483 5.002 50 10 HKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(C)c4)c3=O)n2)cc1 ZINC000100510806 559136112 /nfs/dbraw/zinc/13/61/12/559136112.db2.gz QCADXQHJRYMBHX-SMIQVMJNSA-N -1 0 405.483 5.002 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000100510946 559136142 /nfs/dbraw/zinc/13/61/42/559136142.db2.gz YGVFZSCZNYZLID-IUBFCHALSA-N -1 0 409.902 5.647 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000100510949 559136148 /nfs/dbraw/zinc/13/61/48/559136148.db2.gz YGVFZSCZNYZLID-FTGFMQHASA-N -1 0 409.902 5.647 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000100524763 559136177 /nfs/dbraw/zinc/13/61/77/559136177.db2.gz KDZVRELIPGFOLP-NZXNHFJFSA-N -1 0 403.511 5.610 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000100524766 559136192 /nfs/dbraw/zinc/13/61/92/559136192.db2.gz KDZVRELIPGFOLP-VQERKYHCSA-N -1 0 403.511 5.610 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000100524769 559136184 /nfs/dbraw/zinc/13/61/84/559136184.db2.gz CAMUYSQHAZHQDP-IUBFCHALSA-N -1 0 409.902 5.647 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000100525035 559136160 /nfs/dbraw/zinc/13/61/60/559136160.db2.gz OXHIJIMJUGOLAP-JMSHBIQUSA-N -1 0 417.538 5.919 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000100525039 559136164 /nfs/dbraw/zinc/13/61/64/559136164.db2.gz CJZPYKCEMJHTSV-WWDJGNSZSA-N -1 0 423.929 5.955 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000100525044 559136204 /nfs/dbraw/zinc/13/62/04/559136204.db2.gz CJZPYKCEMJHTSV-ZFZZVZNFSA-N -1 0 423.929 5.955 50 10 HKCARM CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000100556527 559226093 /nfs/dbraw/zinc/22/60/93/559226093.db2.gz PMPCSELVGFJXCO-GZTJUZNOSA-N -1 0 423.812 5.020 50 10 HKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1c(Cl)cc(Cl)cc1Cl ZINC000100697345 559257275 /nfs/dbraw/zinc/25/72/75/559257275.db2.gz IIHDFUDKIQJYKF-DHDCSXOGSA-N -1 0 408.716 5.982 50 10 HKCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000100791374 559267236 /nfs/dbraw/zinc/26/72/36/559267236.db2.gz JERIWRPQOYWGRY-LDADJPATSA-N -1 0 406.825 5.104 50 10 HKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc2c(-c3ccccc3)ccnc12 ZINC000100931850 560763345 /nfs/dbraw/zinc/76/33/45/560763345.db2.gz LMHXJABREHRSDB-HAVVHWLPSA-N -1 0 404.473 5.620 50 10 HKCARM CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000101114231 560786883 /nfs/dbraw/zinc/78/68/83/560786883.db2.gz DVKGAPHIKAHATG-CPNJWEJPSA-N -1 0 420.310 5.629 50 10 HKCARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 ZINC000101114381 560786885 /nfs/dbraw/zinc/78/68/85/560786885.db2.gz IXGVBQGFTCJTJG-QKZKXAEISA-N -1 0 414.461 5.187 50 10 HKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000101141828 560788486 /nfs/dbraw/zinc/78/84/86/560788486.db2.gz YDKNLOQJRABUAE-OQLLNIDSSA-N -1 0 419.268 5.237 50 10 HKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1c(Cl)cc(Cl)cc1Cl ZINC000101141866 560788481 /nfs/dbraw/zinc/78/84/81/560788481.db2.gz IIHDFUDKIQJYKF-OQLLNIDSSA-N -1 0 408.716 5.982 50 10 HKCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1c(Cl)cc(Cl)cc1Cl ZINC000101346758 560793278 /nfs/dbraw/zinc/79/32/78/560793278.db2.gz JLNNVSMHFDADES-JYRVWZFOSA-N -1 0 415.107 6.019 50 10 HKCARM CC(=Nc1cccc(F)c1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000101388962 560793978 /nfs/dbraw/zinc/79/39/78/560793978.db2.gz NKFAIHDVFXZOJO-GDNBJRDFSA-N -1 0 420.391 5.086 50 10 HKCARM Cc1cc2c(cc1C)N[C@@H](c1cc([N+](=O)[O-])ccc1[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000102452593 560811710 /nfs/dbraw/zinc/81/17/10/560811710.db2.gz HOHHXANFNGYLRF-QFIPXVFZSA-N -1 0 407.470 5.789 50 10 HKCARM Cc1cc2c(cc1C)N[C@H](c1cc([N+](=O)[O-])ccc1[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000102452597 569039878 /nfs/dbraw/zinc/03/98/78/569039878.db2.gz HOHHXANFNGYLRF-JOCHJYFZSA-N -1 0 407.470 5.789 50 10 HKCARM CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000102739349 559152435 /nfs/dbraw/zinc/15/24/35/559152435.db2.gz DMUURMVPSOALBC-XDHOZWIPSA-N -1 0 406.825 5.104 50 10 HKCARM CCCc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc(-c2ccc(C)cc2)cs1 ZINC000102965139 559153880 /nfs/dbraw/zinc/15/38/80/559153880.db2.gz STSKRXGJLNAZCC-FQEVSTJZSA-N -1 0 407.564 5.782 50 10 HKCARM CCCc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc(-c2ccc(OC)cc2)cs1 ZINC000102965142 560836195 /nfs/dbraw/zinc/83/61/95/560836195.db2.gz IYOUTSWJMMWHGS-HXUWFJFHSA-N -1 0 423.563 5.482 50 10 HKCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000102992481 560836548 /nfs/dbraw/zinc/83/65/48/560836548.db2.gz RHPWFSMGWWBNSF-KCWFYHRYSA-N -1 0 411.672 6.087 50 10 HKCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000103217922 560840305 /nfs/dbraw/zinc/84/03/05/560840305.db2.gz FKOOCCZQGUDXHM-WQGACYEGSA-N -1 0 421.678 5.543 50 10 HKCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000103365580 560840979 /nfs/dbraw/zinc/84/09/79/560840979.db2.gz LOAFBHNMJPEINV-SFQUDFHCSA-N -1 0 406.825 5.104 50 10 HKCARM CCOC(=O)c1c(C)c(C(C)C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000103958956 560846052 /nfs/dbraw/zinc/84/60/52/560846052.db2.gz QYWBKLLHQBWJNM-SFQUDFHCSA-N -1 0 411.527 5.075 50 10 HKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000109910419 558858335 /nfs/dbraw/zinc/85/83/35/558858335.db2.gz GLCRQTOXLCLKML-GZTJUZNOSA-N -1 0 424.815 5.243 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000111441432 568431525 /nfs/dbraw/zinc/43/15/25/568431525.db2.gz BFERHBIYSDDSTB-CPUCHLNUSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000111478868 568431724 /nfs/dbraw/zinc/43/17/24/568431724.db2.gz DVJSXCPNEHBBTO-PBFPGSCMSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000111478957 568431611 /nfs/dbraw/zinc/43/16/11/568431611.db2.gz MKOFQTBORATOJG-AGKHESDQSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000111478959 568431659 /nfs/dbraw/zinc/43/16/59/568431659.db2.gz MKOFQTBORATOJG-RLFDGXBXSA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000169617888 569104507 /nfs/dbraw/zinc/10/45/07/569104507.db2.gz ZOJXXDRSGRXKGD-JKIFEVAISA-N -1 0 404.691 5.627 50 10 HKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000169617889 569104594 /nfs/dbraw/zinc/10/45/94/569104594.db2.gz BFERHBIYSDDSTB-JKIFEVAISA-N -1 0 404.691 5.627 50 10 HKCARM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000169964291 569214353 /nfs/dbraw/zinc/21/43/53/569214353.db2.gz ORXCNEJTGSJYAG-UHFFFAOYSA-N -1 0 406.290 5.025 50 10 HKCARM O=S(=O)([N-]c1nc(-c2ccccc2Cl)cs1)c1ccc(F)cc1Cl ZINC000170593215 569241068 /nfs/dbraw/zinc/24/10/68/569241068.db2.gz BFKBGOVNJMUUGJ-UHFFFAOYSA-N -1 0 403.287 5.057 50 10 HKCARM CCN(CC)c1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3N2)cc1 ZINC000170625856 569250245 /nfs/dbraw/zinc/25/02/45/569250245.db2.gz HIPCHODLQLBPGH-NRFANRHFSA-N -1 0 417.509 5.178 50 10 HKCARM CCN(CC)c1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3N2)cc1 ZINC000170625857 569250225 /nfs/dbraw/zinc/25/02/25/569250225.db2.gz HIPCHODLQLBPGH-OAQYLSRUSA-N -1 0 417.509 5.178 50 10 HKCARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)cc1 ZINC000217866885 568916769 /nfs/dbraw/zinc/91/67/69/568916769.db2.gz ZFEGAKSLFFCCGV-SFHVURJKSA-N -1 0 420.424 5.075 50 10 biogenic HKCARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)cc1 ZINC000217866961 568916680 /nfs/dbraw/zinc/91/66/80/568916680.db2.gz ZFEGAKSLFFCCGV-GOSISDBHSA-N -1 0 420.424 5.075 50 10 biogenic HKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 ZINC000230014275 568716511 /nfs/dbraw/zinc/71/65/11/568716511.db2.gz SGDGWJYKGHLMDK-QINHECLXSA-N -1 0 413.926 5.359 50 10 HKCARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000245231374 571218285 /nfs/dbraw/zinc/21/82/85/571218285.db2.gz CJDVXNWSHASYPB-BJTMNOAGSA-N -1 0 403.909 5.933 50 10 biogenic HKCARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000245231375 571218196 /nfs/dbraw/zinc/21/81/96/571218196.db2.gz CJDVXNWSHASYPB-QKZKXAEISA-N -1 0 403.909 5.933 50 10 biogenic HKCARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000245231376 571218177 /nfs/dbraw/zinc/21/81/77/571218177.db2.gz CJDVXNWSHASYPB-SLEIARFRSA-N -1 0 403.909 5.933 50 10 biogenic HKCARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000245231377 571218174 /nfs/dbraw/zinc/21/81/74/571218174.db2.gz CJDVXNWSHASYPB-YBVJTHMASA-N -1 0 403.909 5.933 50 10 biogenic HKCARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@@H]21 ZINC000245231705 571219025 /nfs/dbraw/zinc/21/90/25/571219025.db2.gz IXGVBQGFTCJTJG-BJTMNOAGSA-N -1 0 414.461 5.187 50 10 HKCARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000245231706 571219017 /nfs/dbraw/zinc/21/90/17/571219017.db2.gz IXGVBQGFTCJTJG-SLEIARFRSA-N -1 0 414.461 5.187 50 10 HKCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000245238490 569370344 /nfs/dbraw/zinc/37/03/44/569370344.db2.gz RHPWFSMGWWBNSF-XIZWVBILSA-N -1 0 411.672 6.087 50 10 HKCARM Cc1oc2c(c1-c1ccccc1)C(=NNc1ccc(S(=O)(=O)[O-])cc1)C(=O)C=C2 ZINC000252594066 569296246 /nfs/dbraw/zinc/29/62/46/569296246.db2.gz BOYQDMJHWVBGCI-UHFFFAOYSA-N -1 0 408.435 5.776 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000252595376 569296424 /nfs/dbraw/zinc/29/64/24/569296424.db2.gz CAMUYSQHAZHQDP-GOSISDBHSA-N -1 0 409.902 5.647 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000252595377 569296391 /nfs/dbraw/zinc/29/63/91/569296391.db2.gz CAMUYSQHAZHQDP-SFHVURJKSA-N -1 0 409.902 5.647 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000252616704 569372274 /nfs/dbraw/zinc/37/22/74/569372274.db2.gz KDZVRELIPGFOLP-FQEVSTJZSA-N -1 0 403.511 5.610 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000252616705 569372321 /nfs/dbraw/zinc/37/23/21/569372321.db2.gz KDZVRELIPGFOLP-HXUWFJFHSA-N -1 0 403.511 5.610 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000252623688 569308395 /nfs/dbraw/zinc/30/83/95/569308395.db2.gz OXHIJIMJUGOLAP-NRFANRHFSA-N -1 0 417.538 5.919 50 10 HKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000252623689 569308381 /nfs/dbraw/zinc/30/83/81/569308381.db2.gz OXHIJIMJUGOLAP-OAQYLSRUSA-N -1 0 417.538 5.919 50 10 HKCARM O=C([O-])c1cc(-c2cccc(NN=C3C(=O)C=Cc4ccccc43)c2)nc2ccccc21 ZINC000252636307 569317277 /nfs/dbraw/zinc/31/72/77/569317277.db2.gz XGTCXTQTJRVCLE-UHFFFAOYSA-N -1 0 419.440 6.874 50 10 HKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1 ZINC000334163275 568764142 /nfs/dbraw/zinc/76/41/42/568764142.db2.gz NITSMXFPZCDDIK-LFIBNONCSA-N -1 0 424.815 5.243 50 10 HKCARM CC(C)CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000585151862 569029838 /nfs/dbraw/zinc/02/98/38/569029838.db2.gz STMKAKGNQXWOIU-QNGOZBTKSA-N -1 0 414.461 5.477 50 10 HKCARM CC(C)(C)C1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000585151864 569029857 /nfs/dbraw/zinc/02/98/57/569029857.db2.gz YSERVZBDVUTNHQ-HKWRFOASSA-N -1 0 414.461 5.477 50 10 HKCARM COc1ccc(C(=O)c2ccc(F)cc2)c2c([O-])ccc(C(=O)c3ccc(F)cc3)c12 ZINC000670417831 568784691 /nfs/dbraw/zinc/78/46/91/568784691.db2.gz ONZRCFRFAYJUER-UHFFFAOYSA-N -1 0 418.395 5.294 50 10 HKCARM