smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000000631332 551505038 /nfs/dbraw/zinc/50/50/38/551505038.db2.gz CBWJVJHBDRJKNT-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000000631332 551505037 /nfs/dbraw/zinc/50/50/37/551505037.db2.gz CBWJVJHBDRJKNT-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000000635207 551505914 /nfs/dbraw/zinc/50/59/14/551505914.db2.gz BIJHJECCTRKZFF-IBGZPJMESA-N -1 1 528.970 4.692 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000000702574 551529575 /nfs/dbraw/zinc/52/95/75/551529575.db2.gz VZHOOGLKDKBVLF-NRFANRHFSA-N -1 1 540.569 4.876 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000000702575 551529604 /nfs/dbraw/zinc/52/96/04/551529604.db2.gz VZHOOGLKDKBVLF-OAQYLSRUSA-N -1 1 540.569 4.876 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)nc1C ZINC000000703186 551531074 /nfs/dbraw/zinc/53/10/74/551531074.db2.gz JXGCVLKTBXUDTC-SZNDQCEHSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)nc1C ZINC000000703186 551531072 /nfs/dbraw/zinc/53/10/72/551531072.db2.gz JXGCVLKTBXUDTC-SZNDQCEHSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)nc1C ZINC000000703187 551531082 /nfs/dbraw/zinc/53/10/82/551531082.db2.gz JXGCVLKTBXUDTC-SPLOXXLWSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)nc1C ZINC000000703187 551531079 /nfs/dbraw/zinc/53/10/79/551531079.db2.gz JXGCVLKTBXUDTC-SPLOXXLWSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)nc1C ZINC000000703188 551530963 /nfs/dbraw/zinc/53/09/63/551530963.db2.gz JXGCVLKTBXUDTC-QKKBWIMNSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)nc1C ZINC000000703188 551530961 /nfs/dbraw/zinc/53/09/61/551530961.db2.gz JXGCVLKTBXUDTC-QKKBWIMNSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)nc1C ZINC000000703189 551531097 /nfs/dbraw/zinc/53/10/97/551531097.db2.gz JXGCVLKTBXUDTC-LHSJRXKWSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)nc1C ZINC000000703189 551531095 /nfs/dbraw/zinc/53/10/95/551531095.db2.gz JXGCVLKTBXUDTC-LHSJRXKWSA-N -1 1 504.564 4.735 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000000728000 551538907 /nfs/dbraw/zinc/53/89/07/551538907.db2.gz KMIQMPAPFXRLRE-FQEVSTJZSA-N -1 1 510.543 4.867 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000000728001 551538893 /nfs/dbraw/zinc/53/88/93/551538893.db2.gz KMIQMPAPFXRLRE-HXUWFJFHSA-N -1 1 510.543 4.867 50 30 KJEAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CSC1=CC(=O)C(Cl)=C(Cl)C1=O ZINC000000978296 551591442 /nfs/dbraw/zinc/59/14/42/551591442.db2.gz UKBWOSOHFZPJNA-UHFFFAOYSA-N -1 1 519.200 4.781 50 30 KJEAMM COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cc(=O)n(-c4ccccc4)[n-]3)n2)cc1 ZINC000001010138 551596511 /nfs/dbraw/zinc/59/65/11/551596511.db2.gz SKYZNSXTSMHCSV-UHFFFAOYSA-N -1 1 525.512 4.606 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000001155446 551619406 /nfs/dbraw/zinc/61/94/06/551619406.db2.gz BTVMWVPSHSQMFH-INIZCTEOSA-N -1 1 517.357 4.685 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2cccc(Br)c2)nc1C ZINC000001155447 551619362 /nfs/dbraw/zinc/61/93/62/551619362.db2.gz BTVMWVPSHSQMFH-MRXNPFEDSA-N -1 1 517.357 4.685 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001450194 551674926 /nfs/dbraw/zinc/67/49/26/551674926.db2.gz UVZZYJYXPQBMNM-NRFANRHFSA-N -1 1 522.535 4.707 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001450195 551675289 /nfs/dbraw/zinc/67/52/89/551675289.db2.gz UVZZYJYXPQBMNM-OAQYLSRUSA-N -1 1 522.535 4.707 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000001450346 551675141 /nfs/dbraw/zinc/67/51/41/551675141.db2.gz ILDVKTSTCPAWOD-SFHVURJKSA-N -1 1 543.395 4.792 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000001450347 551675215 /nfs/dbraw/zinc/67/52/15/551675215.db2.gz ILDVKTSTCPAWOD-GOSISDBHSA-N -1 1 543.395 4.792 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000001450350 551675205 /nfs/dbraw/zinc/67/52/05/551675205.db2.gz IFJBVNKGBIEAMG-SFHVURJKSA-N -1 1 543.395 4.792 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000001450351 551675272 /nfs/dbraw/zinc/67/52/72/551675272.db2.gz IFJBVNKGBIEAMG-GOSISDBHSA-N -1 1 543.395 4.792 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000001451283 551675553 /nfs/dbraw/zinc/67/55/53/551675553.db2.gz ACIZFJWTKAYXQB-FQEVSTJZSA-N -1 1 529.343 4.554 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000001451284 551675588 /nfs/dbraw/zinc/67/55/88/551675588.db2.gz ACIZFJWTKAYXQB-HXUWFJFHSA-N -1 1 529.343 4.554 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000001458596 551677395 /nfs/dbraw/zinc/67/73/95/551677395.db2.gz SLNYTMUCUOBFBR-FQEVSTJZSA-N -1 1 526.542 4.567 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000001458597 551677406 /nfs/dbraw/zinc/67/74/06/551677406.db2.gz SLNYTMUCUOBFBR-HXUWFJFHSA-N -1 1 526.542 4.567 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000001458653 551677256 /nfs/dbraw/zinc/67/72/56/551677256.db2.gz YQLSPTCRKDJEEP-INIZCTEOSA-N -1 1 517.357 4.767 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Br)c2)nc1C ZINC000001458654 551677334 /nfs/dbraw/zinc/67/73/34/551677334.db2.gz YQLSPTCRKDJEEP-MRXNPFEDSA-N -1 1 517.357 4.767 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000001477079 551681183 /nfs/dbraw/zinc/68/11/83/551681183.db2.gz FJQCSEYZWUNTDX-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000001477079 551681182 /nfs/dbraw/zinc/68/11/82/551681182.db2.gz FJQCSEYZWUNTDX-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000001477080 551681157 /nfs/dbraw/zinc/68/11/57/551681157.db2.gz FJQCSEYZWUNTDX-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000001477080 551681155 /nfs/dbraw/zinc/68/11/55/551681155.db2.gz FJQCSEYZWUNTDX-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1C ZINC000001477147 551681246 /nfs/dbraw/zinc/68/12/46/551681246.db2.gz VQLIJYRHRAGMLK-FQEVSTJZSA-N -1 1 510.543 4.867 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000001477148 551681213 /nfs/dbraw/zinc/68/12/13/551681213.db2.gz VQLIJYRHRAGMLK-HXUWFJFHSA-N -1 1 510.543 4.867 50 30 KJEAMM COC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1N=NC(C#N)=C([O-])c1ccc(C(C)(C)C)cc1 ZINC000002148584 551777139 /nfs/dbraw/zinc/77/71/39/551777139.db2.gz WTXFDXHIONHJGH-XYGWBWBKSA-N -1 1 521.686 4.911 50 30 KJEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000002719238 552163620 /nfs/dbraw/zinc/16/36/20/552163620.db2.gz WVWIMERZTJPZHI-OAQYLSRUSA-N -1 1 520.567 4.964 50 30 KJEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000002719239 552163683 /nfs/dbraw/zinc/16/36/83/552163683.db2.gz WVWIMERZTJPZHI-NRFANRHFSA-N -1 1 520.567 4.964 50 30 KJEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002719240 552163665 /nfs/dbraw/zinc/16/36/65/552163665.db2.gz LFYIXLNKHKAQDA-OAQYLSRUSA-N -1 1 550.593 4.973 50 30 KJEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002719241 552163702 /nfs/dbraw/zinc/16/37/02/552163702.db2.gz LFYIXLNKHKAQDA-NRFANRHFSA-N -1 1 550.593 4.973 50 30 KJEAMM CCCCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O ZINC000003032040 552268088 /nfs/dbraw/zinc/26/80/88/552268088.db2.gz SVUTYXJMOPOYMQ-UHFFFAOYSA-N -1 1 534.476 4.816 50 30 KJEAMM N#Cc1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)CCCCC2 ZINC000003292885 552341346 /nfs/dbraw/zinc/34/13/46/552341346.db2.gz KIROWYDMPVTWBZ-UHFFFAOYSA-N -1 1 509.609 4.713 50 30 KJEAMM N#Cc1ccc(COC(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)cc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000003303284 552347467 /nfs/dbraw/zinc/34/74/67/552347467.db2.gz UQDPOTHSFFHRJC-UHFFFAOYSA-N -1 1 583.594 4.795 50 30 KJEAMM N#Cc1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc1)CCC2 ZINC000003305524 552348606 /nfs/dbraw/zinc/34/86/06/552348606.db2.gz MEIZMRBBWRHUTH-UHFFFAOYSA-N -1 1 502.415 4.924 50 30 KJEAMM COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(Br)c(Br)c1[O-] ZINC000004119357 552439193 /nfs/dbraw/zinc/43/91/93/552439193.db2.gz PBEYZEBWVDIJHU-ZMOGYAJESA-N -1 1 569.302 4.537 50 30 KJEAMM O=C([O-])c1ccccc1[C@@H]1c2ccc(O)c(I)c2OC2=C(I)C(=O)C=CC21 ZINC000004583908 552469241 /nfs/dbraw/zinc/46/92/41/552469241.db2.gz LPCDZXVQYLYOAA-ABAIWWIYSA-N -1 1 586.119 4.621 50 30 KJEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4cccnc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004787177 552482179 /nfs/dbraw/zinc/48/21/79/552482179.db2.gz ASNUPZZREGCOPV-FQEVSTJZSA-N -1 1 504.612 4.675 50 30 KJEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4cccnc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004787185 552482137 /nfs/dbraw/zinc/48/21/37/552482137.db2.gz ASNUPZZREGCOPV-HXUWFJFHSA-N -1 1 504.612 4.675 50 30 KJEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCC(=O)NCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793399 552485323 /nfs/dbraw/zinc/48/53/23/552485323.db2.gz YRRRKBFZAYDUOR-QHCPKHFHSA-N -1 1 514.651 4.687 50 30 KJEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCC(=O)NCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793403 552485293 /nfs/dbraw/zinc/48/52/93/552485293.db2.gz YRRRKBFZAYDUOR-HSZRJFAPSA-N -1 1 514.651 4.687 50 30 KJEAMM CCOc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)s1 ZINC000005345219 552497940 /nfs/dbraw/zinc/49/79/40/552497940.db2.gz PMNOFMQTJZIIRN-AWQFTUOYSA-N -1 1 562.265 4.719 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005354522 552498248 /nfs/dbraw/zinc/49/82/48/552498248.db2.gz YTLFTQLZBFYIMW-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005354522 552498245 /nfs/dbraw/zinc/49/82/45/552498245.db2.gz YTLFTQLZBFYIMW-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005354535 552498273 /nfs/dbraw/zinc/49/82/73/552498273.db2.gz YTLFTQLZBFYIMW-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005354535 552498270 /nfs/dbraw/zinc/49/82/70/552498270.db2.gz YTLFTQLZBFYIMW-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000005355857 552499003 /nfs/dbraw/zinc/49/90/03/552499003.db2.gz ZHOQWUJKCAJZOM-LJQANCHMSA-N -1 1 507.524 4.628 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000005355864 552499036 /nfs/dbraw/zinc/49/90/36/552499036.db2.gz ZHOQWUJKCAJZOM-IBGZPJMESA-N -1 1 507.524 4.628 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000005355985 552499052 /nfs/dbraw/zinc/49/90/52/552499052.db2.gz CBWJVJHBDRJKNT-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000005355985 552499050 /nfs/dbraw/zinc/49/90/50/552499050.db2.gz CBWJVJHBDRJKNT-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000005356051 552499334 /nfs/dbraw/zinc/49/93/34/552499334.db2.gz POJCHOASCSJEEB-GOSISDBHSA-N -1 1 527.942 4.973 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000005356058 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COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1OC ZINC000008432798 553027166 /nfs/dbraw/zinc/02/71/66/553027166.db2.gz BOJMURBQDWGEOG-PRAQEBQASA-N -1 1 527.577 4.864 50 30 KJEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1OC ZINC000008432799 553027113 /nfs/dbraw/zinc/02/71/13/553027113.db2.gz BOJMURBQDWGEOG-WENCNXQZSA-N -1 1 527.577 4.864 50 30 KJEAMM CCOC(=O)c1sc([N-]N=C(C(C)=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c(C(=O)OCC)c1C ZINC000008433020 553027644 /nfs/dbraw/zinc/02/76/44/553027644.db2.gz WFJLEJFQSSCWHH-XAWJNHOXSA-N -1 1 591.708 4.769 50 30 KJEAMM CCOC(=O)c1sc([N-]N=C(C(C)=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c(C(=O)OCC)c1C ZINC000008433021 553027674 /nfs/dbraw/zinc/02/76/74/553027674.db2.gz WFJLEJFQSSCWHH-PCHRYSABSA-N -1 1 591.708 4.769 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000008433351 553028810 /nfs/dbraw/zinc/02/88/10/553028810.db2.gz 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FLJRZFCGJKFICT-SFHVURJKSA-N -1 1 500.374 4.791 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008744189 553133865 /nfs/dbraw/zinc/13/38/65/553133865.db2.gz FLJRZFCGJKFICT-GOSISDBHSA-N -1 1 500.374 4.791 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000008827507 553156606 /nfs/dbraw/zinc/15/66/06/553156606.db2.gz BJCXVACXWBIWHA-LJQANCHMSA-N -1 1 507.524 4.546 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000008827605 553156624 /nfs/dbraw/zinc/15/66/24/553156624.db2.gz SKVJZTAPGHUJNZ-XMMPIXPASA-N -1 1 500.507 4.945 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000008827606 553156655 /nfs/dbraw/zinc/15/66/55/553156655.db2.gz SKVJZTAPGHUJNZ-DEOSSOPVSA-N -1 1 500.507 4.945 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(OC(C)C)cc2)nc1C ZINC000008827803 553156980 /nfs/dbraw/zinc/15/69/80/553156980.db2.gz LUFITJUSNAGRGN-OAQYLSRUSA-N -1 1 522.579 4.817 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(OC(C)C)cc2)nc1C ZINC000008827804 553157000 /nfs/dbraw/zinc/15/70/00/553157000.db2.gz LUFITJUSNAGRGN-NRFANRHFSA-N -1 1 522.579 4.817 50 30 KJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000008827805 553157014 /nfs/dbraw/zinc/15/70/14/553157014.db2.gz PPXJDPPBTKDZBS-OAQYLSRUSA-N -1 1 522.579 4.818 50 30 KJEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000008827806 553156936 /nfs/dbraw/zinc/15/69/36/553156936.db2.gz PPXJDPPBTKDZBS-NRFANRHFSA-N -1 1 522.579 4.818 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000008837738 553164438 /nfs/dbraw/zinc/16/44/38/553164438.db2.gz HQKZDEUSULTAFT-HXUWFJFHSA-N -1 1 510.499 4.837 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000008837777 553164462 /nfs/dbraw/zinc/16/44/62/553164462.db2.gz DTCYRIJKUWATNC-HXUWFJFHSA-N -1 1 510.543 4.867 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000008837778 553164446 /nfs/dbraw/zinc/16/44/46/553164446.db2.gz DTCYRIJKUWATNC-FQEVSTJZSA-N -1 1 510.543 4.867 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000008837965 553164815 /nfs/dbraw/zinc/16/48/15/553164815.db2.gz FEYRVKRWDMKEHZ-QGZVFWFLSA-N -1 1 513.915 4.583 50 30 KJEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845231 553165499 /nfs/dbraw/zinc/16/54/99/553165499.db2.gz IYBLSLYNSBCPEF-HSZRJFAPSA-N -1 1 521.595 4.970 50 30 KJEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845232 553165662 /nfs/dbraw/zinc/16/56/62/553165662.db2.gz IYBLSLYNSBCPEF-QHCPKHFHSA-N -1 1 521.595 4.970 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008858569 553169290 /nfs/dbraw/zinc/16/92/90/553169290.db2.gz MBPUAMKTBSWYKW-OAQYLSRUSA-N -1 1 522.579 4.818 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008858570 553169314 /nfs/dbraw/zinc/16/93/14/553169314.db2.gz MBPUAMKTBSWYKW-NRFANRHFSA-N -1 1 522.579 4.818 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000008861784 553170532 /nfs/dbraw/zinc/17/05/32/553170532.db2.gz BJCXVACXWBIWHA-IBGZPJMESA-N -1 1 507.524 4.546 50 30 KJEAMM Cc1ccc(C)c(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)[nH]2)c1 ZINC000008872724 553173797 /nfs/dbraw/zinc/17/37/97/553173797.db2.gz WDWKAFSVBLJHTC-BRJLIKDPSA-N -1 1 577.281 4.745 50 30 KJEAMM O=C([O-])c1cc(-c2ccc(C=NN=c3nc(Nc4ccc(F)cc4)[nH]c(N4CCOCC4)n3)o2)ccc1Cl ZINC000008872965 553174652 /nfs/dbraw/zinc/17/46/52/553174652.db2.gz XWDJOKMXZWOPKA-MUXKCCDJSA-N -1 1 537.939 4.649 50 30 KJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008892347 553176771 /nfs/dbraw/zinc/17/67/71/553176771.db2.gz SLZTZCUWMYHRFM-HXUWFJFHSA-N -1 1 517.332 4.581 50 30 KJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008892348 553176797 /nfs/dbraw/zinc/17/67/97/553176797.db2.gz SLZTZCUWMYHRFM-FQEVSTJZSA-N -1 1 517.332 4.581 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000008894821 553177798 /nfs/dbraw/zinc/17/77/98/553177798.db2.gz QQJCTNBJIOMUSF-HSZRJFAPSA-N -1 1 508.527 4.579 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000008894825 553177787 /nfs/dbraw/zinc/17/77/87/553177787.db2.gz QQJCTNBJIOMUSF-QHCPKHFHSA-N -1 1 508.527 4.579 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008900489 553181542 /nfs/dbraw/zinc/18/15/42/553181542.db2.gz PCVVXNOJWRLZKQ-OAQYLSRUSA-N -1 1 510.568 4.577 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008900498 553181551 /nfs/dbraw/zinc/18/15/51/553181551.db2.gz PCVVXNOJWRLZKQ-NRFANRHFSA-N -1 1 510.568 4.577 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000008903118 553182770 /nfs/dbraw/zinc/18/27/70/553182770.db2.gz HQKZDEUSULTAFT-FQEVSTJZSA-N -1 1 510.499 4.837 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000008903969 553183232 /nfs/dbraw/zinc/18/32/32/553183232.db2.gz FEYRVKRWDMKEHZ-KRWDZBQOSA-N -1 1 513.915 4.583 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000008934695 553192892 /nfs/dbraw/zinc/19/28/92/553192892.db2.gz RDLWQKZUSXKOLA-GOSISDBHSA-N -1 1 516.934 4.822 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000008934696 553192860 /nfs/dbraw/zinc/19/28/60/553192860.db2.gz RDLWQKZUSXKOLA-SFHVURJKSA-N -1 1 516.934 4.822 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000008964796 553194770 /nfs/dbraw/zinc/19/47/70/553194770.db2.gz KMASJEGKTCPBQQ-HMILPKGGSA-N -1 1 514.534 4.832 50 30 biogenic KJEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000008964797 553194792 /nfs/dbraw/zinc/19/47/92/553194792.db2.gz KMASJEGKTCPBQQ-VKGTZQKMSA-N -1 1 514.534 4.832 50 30 biogenic KJEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000008964798 553194786 /nfs/dbraw/zinc/19/47/86/553194786.db2.gz KMASJEGKTCPBQQ-WHLCRQNOSA-N -1 1 514.534 4.832 50 30 biogenic KJEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000008964799 553194773 /nfs/dbraw/zinc/19/47/73/553194773.db2.gz KMASJEGKTCPBQQ-GDJIYFAZSA-N -1 1 514.534 4.832 50 30 biogenic KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1 ZINC000009007993 553198496 /nfs/dbraw/zinc/19/84/96/553198496.db2.gz PQQIVPZEWSXUNC-OAQYLSRUSA-N -1 1 504.564 4.976 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1 ZINC000009007994 553198487 /nfs/dbraw/zinc/19/84/87/553198487.db2.gz PQQIVPZEWSXUNC-NRFANRHFSA-N -1 1 504.564 4.976 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000009018995 553200778 /nfs/dbraw/zinc/20/07/78/553200778.db2.gz PDVSCLPDFZFRML-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000009018995 553200777 /nfs/dbraw/zinc/20/07/77/553200777.db2.gz PDVSCLPDFZFRML-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000009018996 553200733 /nfs/dbraw/zinc/20/07/33/553200733.db2.gz PDVSCLPDFZFRML-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000009018996 553200732 /nfs/dbraw/zinc/20/07/32/553200732.db2.gz PDVSCLPDFZFRML-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009042241 553202465 /nfs/dbraw/zinc/20/24/65/553202465.db2.gz FMOQBUNKMOAXHU-HSZRJFAPSA-N -1 1 502.479 4.563 50 30 KJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009042241 553202462 /nfs/dbraw/zinc/20/24/62/553202462.db2.gz FMOQBUNKMOAXHU-HSZRJFAPSA-N -1 1 502.479 4.563 50 30 KJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009042243 553202528 /nfs/dbraw/zinc/20/25/28/553202528.db2.gz FMOQBUNKMOAXHU-QHCPKHFHSA-N -1 1 502.479 4.563 50 30 KJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009042243 553202526 /nfs/dbraw/zinc/20/25/26/553202526.db2.gz FMOQBUNKMOAXHU-QHCPKHFHSA-N -1 1 502.479 4.563 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000009042530 553202622 /nfs/dbraw/zinc/20/26/22/553202622.db2.gz RYWXIJSGPLETOC-SFHVURJKSA-N -1 1 501.358 4.706 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009044100 553203166 /nfs/dbraw/zinc/20/31/66/553203166.db2.gz UQBHJSVBVZVJMU-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009044100 553203164 /nfs/dbraw/zinc/20/31/64/553203164.db2.gz UQBHJSVBVZVJMU-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000009044222 553203181 /nfs/dbraw/zinc/20/31/81/553203181.db2.gz VTULZPLARPYIQU-HXUWFJFHSA-N -1 1 510.543 4.867 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000009045294 553203367 /nfs/dbraw/zinc/20/33/67/553203367.db2.gz NRTOAVAZKINOJL-NRFANRHFSA-N -1 1 520.563 4.600 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000009045294 553203366 /nfs/dbraw/zinc/20/33/66/553203366.db2.gz NRTOAVAZKINOJL-NRFANRHFSA-N -1 1 520.563 4.600 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000009045992 553203590 /nfs/dbraw/zinc/20/35/90/553203590.db2.gz WWIOUEZWCPRRCK-HXUWFJFHSA-N -1 1 508.552 4.515 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000009045995 553203528 /nfs/dbraw/zinc/20/35/28/553203528.db2.gz WWIOUEZWCPRRCK-FQEVSTJZSA-N -1 1 508.552 4.515 50 30 KJEAMM Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000009046501 553203992 /nfs/dbraw/zinc/20/39/92/553203992.db2.gz BDYDHBFIDHJGBP-HXUWFJFHSA-N -1 1 510.618 4.853 50 30 KJEAMM Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000009046502 553203999 /nfs/dbraw/zinc/20/39/99/553203999.db2.gz BDYDHBFIDHJGBP-FQEVSTJZSA-N -1 1 510.618 4.853 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(O)c2)cc1 ZINC000009046528 553203974 /nfs/dbraw/zinc/20/39/74/553203974.db2.gz CJMSBRBWKIDTAS-FQEVSTJZSA-N -1 1 508.552 4.515 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(O)c2)cc1 ZINC000009046529 553204038 /nfs/dbraw/zinc/20/40/38/553204038.db2.gz CJMSBRBWKIDTAS-HXUWFJFHSA-N -1 1 508.552 4.515 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009065390 553205945 /nfs/dbraw/zinc/20/59/45/553205945.db2.gz VNBCZPBRYVSVJE-IBGZPJMESA-N -1 1 512.971 4.991 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009067429 553206438 /nfs/dbraw/zinc/20/64/38/553206438.db2.gz NHFGANCJBNZJHM-OAQYLSRUSA-N -1 1 520.563 4.682 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009067431 553206332 /nfs/dbraw/zinc/20/63/32/553206332.db2.gz NHFGANCJBNZJHM-NRFANRHFSA-N -1 1 520.563 4.682 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009069081 553206853 /nfs/dbraw/zinc/20/68/53/553206853.db2.gz VBELSXCDXZILNW-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009069081 553206851 /nfs/dbraw/zinc/20/68/51/553206851.db2.gz VBELSXCDXZILNW-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009069086 553206838 /nfs/dbraw/zinc/20/68/38/553206838.db2.gz VBELSXCDXZILNW-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009069086 553206836 /nfs/dbraw/zinc/20/68/36/553206836.db2.gz VBELSXCDXZILNW-NRFANRHFSA-N 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50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Br)c2)s1 ZINC000009510461 553276188 /nfs/dbraw/zinc/27/61/88/553276188.db2.gz GAWGLNABZPUJTC-WLRWDXFRSA-N -1 1 512.385 4.715 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Br)c2)s1 ZINC000009510462 553276162 /nfs/dbraw/zinc/27/61/62/553276162.db2.gz GAWGLNABZPUJTC-NSPYISDASA-N -1 1 512.385 4.715 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Br)c2)s1 ZINC000009510464 553276156 /nfs/dbraw/zinc/27/61/56/553276156.db2.gz GAWGLNABZPUJTC-WYRIXSBYSA-N -1 1 512.385 4.715 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009557321 553279121 /nfs/dbraw/zinc/27/91/21/553279121.db2.gz OWQSDZZWHNFPID-HXUWFJFHSA-N -1 1 504.520 4.776 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009557322 553279148 /nfs/dbraw/zinc/27/91/48/553279148.db2.gz OWQSDZZWHNFPID-FQEVSTJZSA-N -1 1 504.520 4.776 50 30 KJEAMM CCOc1cc(N2C=C([O-])C(c3nc4ccc(C)cc4[nH]3)C2=N)c(OCC)cc1NC(=O)c1ccccc1 ZINC000011990633 553349975 /nfs/dbraw/zinc/34/99/75/553349975.db2.gz BTKSYQZQQFHQPV-UHFFFAOYSA-N -1 1 511.582 4.638 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000012628488 553405282 /nfs/dbraw/zinc/40/52/82/553405282.db2.gz RSMGRFSCCXMSPX-RUZDIDTESA-N -1 1 502.592 4.644 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000012628492 553405242 /nfs/dbraw/zinc/40/52/42/553405242.db2.gz RSMGRFSCCXMSPX-VWLOTQADSA-N -1 1 502.592 4.644 50 30 KJEAMM CC(C)c1ccc2c(c1)C(=NNc1ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc1[N+](=O)[O-])C(=O)N2 ZINC000012651660 553409716 /nfs/dbraw/zinc/40/97/16/553409716.db2.gz YQMHBOXLDJARLT-UHFFFAOYSA-N -1 1 513.963 4.941 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000013548716 553469980 /nfs/dbraw/zinc/46/99/80/553469980.db2.gz UEORJAZDWIKNFS-FQEVSTJZSA-N -1 1 510.543 4.867 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000013548719 553469904 /nfs/dbraw/zinc/46/99/04/553469904.db2.gz UEORJAZDWIKNFS-HXUWFJFHSA-N -1 1 510.543 4.867 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013551453 553470433 /nfs/dbraw/zinc/47/04/33/553470433.db2.gz QVTFOHWESRPZNG-HSZRJFAPSA-N -1 1 508.527 4.581 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013551456 553470422 /nfs/dbraw/zinc/47/04/22/553470422.db2.gz QVTFOHWESRPZNG-QHCPKHFHSA-N -1 1 508.527 4.581 50 30 KJEAMM CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000013552873 553470908 /nfs/dbraw/zinc/47/09/08/553470908.db2.gz FODKJALMAKMWEO-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccccc1[C@H]1C(=C([O-])c2ccc(OC)cc2C)C(=O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000013552873 553470905 /nfs/dbraw/zinc/47/09/05/553470905.db2.gz FODKJALMAKMWEO-NRFANRHFSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000013552874 553470863 /nfs/dbraw/zinc/47/08/63/553470863.db2.gz FODKJALMAKMWEO-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(=C([O-])c2ccc(OC)cc2C)C(=O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000013552874 553470860 /nfs/dbraw/zinc/47/08/60/553470860.db2.gz FODKJALMAKMWEO-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccccc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000013940161 553496205 /nfs/dbraw/zinc/49/62/05/553496205.db2.gz VPJGNHMLIRQAIO-NSKAYECMSA-N -1 1 501.347 4.841 50 30 KJEAMM O=C([O-])c1cc(-c2ccc(C=NN=c3nc(Nc4ccc(F)cc4)[nH]c(N4CCCCC4)n3)o2)ccc1O ZINC000016667896 553571470 /nfs/dbraw/zinc/57/14/70/553571470.db2.gz HIRFSGYHXXGKFD-RWPZCVJISA-N -1 1 517.521 4.854 50 30 KJEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccnc2)cc1 ZINC000016729537 553576002 /nfs/dbraw/zinc/57/60/02/553576002.db2.gz ZWVGXYDSOKZSQE-OAQYLSRUSA-N -1 1 521.595 4.985 50 30 KJEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccnc2)cc1 ZINC000016729541 553575902 /nfs/dbraw/zinc/57/59/02/553575902.db2.gz ZWVGXYDSOKZSQE-NRFANRHFSA-N -1 1 521.595 4.985 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000016730184 553576339 /nfs/dbraw/zinc/57/63/39/553576339.db2.gz HSPKNIKYUYVXOT-FQEVSTJZSA-N -1 1 510.543 4.867 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000016730187 553576335 /nfs/dbraw/zinc/57/63/35/553576335.db2.gz HSPKNIKYUYVXOT-HXUWFJFHSA-N -1 1 510.543 4.867 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000016732201 553577460 /nfs/dbraw/zinc/57/74/60/553577460.db2.gz DANKIEVUWIJGCG-QFIPXVFZSA-N -1 1 522.579 4.853 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000016732204 553577550 /nfs/dbraw/zinc/57/75/50/553577550.db2.gz DANKIEVUWIJGCG-JOCHJYFZSA-N -1 1 522.579 4.853 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2cccs2)nc1C ZINC000016741835 553580009 /nfs/dbraw/zinc/58/00/09/553580009.db2.gz VLYPUJJKNAOQNQ-KRWDZBQOSA-N -1 1 510.549 4.837 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2cccs2)nc1C ZINC000016741836 553580058 /nfs/dbraw/zinc/58/00/58/553580058.db2.gz VLYPUJJKNAOQNQ-QGZVFWFLSA-N -1 1 510.549 4.837 50 30 KJEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943661 553584311 /nfs/dbraw/zinc/58/43/11/553584311.db2.gz ZBQNSFRZWLHTSK-OAQYLSRUSA-N -1 1 505.596 4.653 50 30 KJEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943666 553584318 /nfs/dbraw/zinc/58/43/18/553584318.db2.gz ZBQNSFRZWLHTSK-NRFANRHFSA-N -1 1 505.596 4.653 50 30 KJEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943671 553584323 /nfs/dbraw/zinc/58/43/23/553584323.db2.gz TUAASSUPCWSWCZ-OAQYLSRUSA-N -1 1 523.586 4.792 50 30 KJEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943675 553584325 /nfs/dbraw/zinc/58/43/25/553584325.db2.gz TUAASSUPCWSWCZ-NRFANRHFSA-N -1 1 523.586 4.792 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)c(C)c2)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000018056969 553602519 /nfs/dbraw/zinc/60/25/19/553602519.db2.gz NGWSDKZWHLOUJC-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(=C([O-])c2ccc(OC)c(C)c2)C(=O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000018056969 553602518 /nfs/dbraw/zinc/60/25/18/553602518.db2.gz NGWSDKZWHLOUJC-OAQYLSRUSA-N -1 1 522.579 4.737 50 30 KJEAMM O=C([O-])c1ccccc1[C@H]1c2ccc(O)c(I)c2OC2=C(I)C(=O)C=CC21 ZINC000018169855 553606901 /nfs/dbraw/zinc/60/69/01/553606901.db2.gz LPCDZXVQYLYOAA-XHDPSFHLSA-N -1 1 586.119 4.621 50 30 KJEAMM Cc1nnc(SCc2cc(=O)[n-]c(NC(=NC(=O)c3ccccc3)Nc3ccc(C)cc3C)n2)s1 ZINC000018249361 553611300 /nfs/dbraw/zinc/61/13/00/553611300.db2.gz MQNVPMGUFJESTL-UHFFFAOYSA-N -1 1 505.629 4.559 50 30 KJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1 ZINC000020083148 553683358 /nfs/dbraw/zinc/68/33/58/553683358.db2.gz RZPOASGJTXQKGV-FQEVSTJZSA-N -1 1 517.332 4.581 50 30 KJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1 ZINC000020083152 553683397 /nfs/dbraw/zinc/68/33/97/553683397.db2.gz RZPOASGJTXQKGV-HXUWFJFHSA-N -1 1 517.332 4.581 50 30 KJEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000026779541 553820901 /nfs/dbraw/zinc/82/09/01/553820901.db2.gz JYBSOUVATOIBQM-NRFANRHFSA-N -1 1 508.552 4.550 50 30 KJEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000026779541 553820896 /nfs/dbraw/zinc/82/08/96/553820896.db2.gz JYBSOUVATOIBQM-NRFANRHFSA-N -1 1 508.552 4.550 50 30 KJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000026779544 553820793 /nfs/dbraw/zinc/82/07/93/553820793.db2.gz JYBSOUVATOIBQM-OAQYLSRUSA-N -1 1 508.552 4.550 50 30 KJEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000026779544 553820789 /nfs/dbraw/zinc/82/07/89/553820789.db2.gz JYBSOUVATOIBQM-OAQYLSRUSA-N -1 1 508.552 4.550 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529814 553831698 /nfs/dbraw/zinc/83/16/98/553831698.db2.gz SULXPUBALBYEGA-PSLXWICFSA-N -1 1 521.595 4.750 50 30 KJEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529814 553831694 /nfs/dbraw/zinc/83/16/94/553831694.db2.gz SULXPUBALBYEGA-PSLXWICFSA-N -1 1 521.595 4.750 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529815 553831689 /nfs/dbraw/zinc/83/16/89/553831689.db2.gz SULXPUBALBYEGA-LFVRLGFBSA-N -1 1 521.595 4.750 50 30 KJEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529815 553831685 /nfs/dbraw/zinc/83/16/85/553831685.db2.gz SULXPUBALBYEGA-LFVRLGFBSA-N -1 1 521.595 4.750 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529816 553831667 /nfs/dbraw/zinc/83/16/67/553831667.db2.gz SULXPUBALBYEGA-FATZIPQQSA-N -1 1 521.595 4.750 50 30 KJEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529816 553831664 /nfs/dbraw/zinc/83/16/64/553831664.db2.gz SULXPUBALBYEGA-FATZIPQQSA-N -1 1 521.595 4.750 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529817 553831480 /nfs/dbraw/zinc/83/14/80/553831480.db2.gz SULXPUBALBYEGA-QKFKETGDSA-N -1 1 521.595 4.750 50 30 KJEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529817 553831478 /nfs/dbraw/zinc/83/14/78/553831478.db2.gz SULXPUBALBYEGA-QKFKETGDSA-N -1 1 521.595 4.750 50 30 KJEAMM CCCc1nc2sc3c(c2c(N2CCN(C([O-])=NS(=O)(=O)c4ccc(C)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000034919943 554031356 /nfs/dbraw/zinc/03/13/56/554031356.db2.gz ODYCSNGTPZERSD-GOSISDBHSA-N -1 1 527.716 4.502 50 30 KJEAMM CCCc1nc2sc3c(c2c(N2CCN(C(=O)[N-]S(=O)(=O)c4ccc(C)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000034919943 554031353 /nfs/dbraw/zinc/03/13/53/554031353.db2.gz ODYCSNGTPZERSD-GOSISDBHSA-N -1 1 527.716 4.502 50 30 KJEAMM CCCc1nc2sc3c(c2c(N2CCN(C([O-])=NS(=O)(=O)c4ccc(C)cc4)CC2)n1)CC[C@H](C)C3 ZINC000034919945 554031393 /nfs/dbraw/zinc/03/13/93/554031393.db2.gz ODYCSNGTPZERSD-SFHVURJKSA-N -1 1 527.716 4.502 50 30 KJEAMM CCCc1nc2sc3c(c2c(N2CCN(C(=O)[N-]S(=O)(=O)c4ccc(C)cc4)CC2)n1)CC[C@H](C)C3 ZINC000034919945 554031390 /nfs/dbraw/zinc/03/13/90/554031390.db2.gz ODYCSNGTPZERSD-SFHVURJKSA-N -1 1 527.716 4.502 50 30 KJEAMM Cc1ccc(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3[O-])nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000036020501 554139320 /nfs/dbraw/zinc/13/93/20/554139320.db2.gz YXHCIHIKVQJMMS-DHRITJCHSA-N -1 1 515.490 4.944 50 30 KJEAMM CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000049722989 562672804 /nfs/dbraw/zinc/67/28/04/562672804.db2.gz ZPDQFUYPBVXUKS-YADHBBJMSA-N -1 1 525.620 4.698 50 30 in-vitro,metabolite KJEAMM CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OC[C@H](O)CO ZINC000049781426 554325946 /nfs/dbraw/zinc/32/59/46/554325946.db2.gz HFJVKBVEKQHVTO-DHIUTWEWSA-N -1 1 512.621 4.639 50 30 in-vitro KJEAMM CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OC[C@@H](O)CO ZINC000049781427 554325927 /nfs/dbraw/zinc/32/59/27/554325927.db2.gz HFJVKBVEKQHVTO-XZOQPEGZSA-N -1 1 512.621 4.639 50 30 in-vitro KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000053290464 554331096 /nfs/dbraw/zinc/33/10/96/554331096.db2.gz SNOXXUWAOCPAAX-QFIPXVFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000053290468 554331116 /nfs/dbraw/zinc/33/11/16/554331116.db2.gz SNOXXUWAOCPAAX-JOCHJYFZSA-N -1 1 552.605 4.745 50 30 KJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000053291368 554331657 /nfs/dbraw/zinc/33/16/57/554331657.db2.gz LALILTJPFQUMRM-QHCPKHFHSA-N -1 1 562.600 4.747 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000053291372 554331648 /nfs/dbraw/zinc/33/16/48/554331648.db2.gz LALILTJPFQUMRM-HSZRJFAPSA-N -1 1 562.600 4.747 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053291733 554332104 /nfs/dbraw/zinc/33/21/04/554332104.db2.gz TXVZOFLBGVHKJG-FQEVSTJZSA-N -1 1 537.550 4.636 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053291737 554331948 /nfs/dbraw/zinc/33/19/48/554331948.db2.gz TXVZOFLBGVHKJG-HXUWFJFHSA-N -1 1 537.550 4.636 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000053306000 554333103 /nfs/dbraw/zinc/33/31/03/554333103.db2.gz RHNWPMCNXYFINY-NRFANRHFSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000053306001 554333241 /nfs/dbraw/zinc/33/32/41/554333241.db2.gz RHNWPMCNXYFINY-OAQYLSRUSA-N -1 1 552.605 4.745 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053306214 554333485 /nfs/dbraw/zinc/33/34/85/554333485.db2.gz SFJDFDGCOVKUFM-HNNXBMFYSA-N -1 1 519.398 4.845 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053306216 554333534 /nfs/dbraw/zinc/33/35/34/554333534.db2.gz SFJDFDGCOVKUFM-OAHLLOKOSA-N -1 1 519.398 4.845 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000053306235 554333467 /nfs/dbraw/zinc/33/34/67/554333467.db2.gz IDUMHRFFNVWDKY-NRFANRHFSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000053306236 554333464 /nfs/dbraw/zinc/33/34/64/554333464.db2.gz IDUMHRFFNVWDKY-OAQYLSRUSA-N -1 1 552.605 4.745 50 30 KJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053306300 554333481 /nfs/dbraw/zinc/33/34/81/554333481.db2.gz RZVIJQUCNHZVMH-WNSKOXEYSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053306300 554333479 /nfs/dbraw/zinc/33/34/79/554333479.db2.gz RZVIJQUCNHZVMH-WNSKOXEYSA-N -1 1 546.601 4.909 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000053306798 554334256 /nfs/dbraw/zinc/33/42/56/554334256.db2.gz BIODJJMHYTVQSK-QFIPXVFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000053306800 554334423 /nfs/dbraw/zinc/33/44/23/554334423.db2.gz BIODJJMHYTVQSK-JOCHJYFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053308071 554335557 /nfs/dbraw/zinc/33/55/57/554335557.db2.gz IFKLBHRGKMNMEW-FQEVSTJZSA-N -1 1 537.550 4.636 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053308074 554335492 /nfs/dbraw/zinc/33/54/92/554335492.db2.gz IFKLBHRGKMNMEW-HXUWFJFHSA-N -1 1 537.550 4.636 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000053319121 554335985 /nfs/dbraw/zinc/33/59/85/554335985.db2.gz YUMLKOCBWJRWIT-QFIPXVFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000053319122 554335800 /nfs/dbraw/zinc/33/58/00/554335800.db2.gz YUMLKOCBWJRWIT-JOCHJYFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053319130 554336029 /nfs/dbraw/zinc/33/60/29/554336029.db2.gz MHHWAVXFIBMVEY-QFIPXVFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053319131 554336204 /nfs/dbraw/zinc/33/62/04/554336204.db2.gz MHHWAVXFIBMVEY-JOCHJYFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053319136 554336238 /nfs/dbraw/zinc/33/62/38/554336238.db2.gz ZHPZDZUJKOTQGB-QFIPXVFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053319137 554336290 /nfs/dbraw/zinc/33/62/90/554336290.db2.gz ZHPZDZUJKOTQGB-JOCHJYFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000053319192 554336646 /nfs/dbraw/zinc/33/66/46/554336646.db2.gz DQMXGBRRXBUNGY-DEOSSOPVSA-N -1 1 530.558 4.955 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000053319192 554336645 /nfs/dbraw/zinc/33/66/45/554336645.db2.gz DQMXGBRRXBUNGY-DEOSSOPVSA-N -1 1 530.558 4.955 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000053319193 554336595 /nfs/dbraw/zinc/33/65/95/554336595.db2.gz DQMXGBRRXBUNGY-XMMPIXPASA-N -1 1 530.558 4.955 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000053319193 554336592 /nfs/dbraw/zinc/33/65/92/554336592.db2.gz DQMXGBRRXBUNGY-XMMPIXPASA-N -1 1 530.558 4.955 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000053332560 554338924 /nfs/dbraw/zinc/33/89/24/554338924.db2.gz HPAQXLYRPODUHQ-FQEVSTJZSA-N -1 1 540.981 4.836 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000053332564 554338995 /nfs/dbraw/zinc/33/89/95/554338995.db2.gz HPAQXLYRPODUHQ-HXUWFJFHSA-N -1 1 540.981 4.836 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000053334037 554339725 /nfs/dbraw/zinc/33/97/25/554339725.db2.gz KBJQNQREFZEEHH-FPTDNZKUSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000053334037 554339722 /nfs/dbraw/zinc/33/97/22/554339722.db2.gz KBJQNQREFZEEHH-FPTDNZKUSA-N -1 1 534.590 4.743 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000053334738 554340315 /nfs/dbraw/zinc/34/03/15/554340315.db2.gz YJINIVHWFNYPQY-MCMMXHMISA-N -1 1 532.574 4.547 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000053335285 554340607 /nfs/dbraw/zinc/34/06/07/554340607.db2.gz UCQAHWKMYBCXTD-IQMFZBJNSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000053335285 554340603 /nfs/dbraw/zinc/34/06/03/554340603.db2.gz UCQAHWKMYBCXTD-IQMFZBJNSA-N -1 1 546.601 4.909 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335382 554341080 /nfs/dbraw/zinc/34/10/80/554341080.db2.gz UKZJOAMUAPKWDO-DEOSSOPVSA-N -1 1 542.569 4.945 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335382 554341076 /nfs/dbraw/zinc/34/10/76/554341076.db2.gz UKZJOAMUAPKWDO-DEOSSOPVSA-N -1 1 542.569 4.945 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335384 554340984 /nfs/dbraw/zinc/34/09/84/554340984.db2.gz UKZJOAMUAPKWDO-XMMPIXPASA-N -1 1 542.569 4.945 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335384 554340981 /nfs/dbraw/zinc/34/09/81/554340981.db2.gz UKZJOAMUAPKWDO-XMMPIXPASA-N -1 1 542.569 4.945 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000053335760 554341115 /nfs/dbraw/zinc/34/11/15/554341115.db2.gz NMIIVHBXWIJFNN-WNSKOXEYSA-N -1 1 574.611 4.687 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000053336573 554341879 /nfs/dbraw/zinc/34/18/79/554341879.db2.gz SIAXTARDZZRDJJ-DEOSSOPVSA-N -1 1 574.611 4.913 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000053336577 554341852 /nfs/dbraw/zinc/34/18/52/554341852.db2.gz SIAXTARDZZRDJJ-XMMPIXPASA-N -1 1 574.611 4.913 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000053336648 554341897 /nfs/dbraw/zinc/34/18/97/554341897.db2.gz BMOZIGXBFHXYOX-QFIPXVFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000053336650 554341862 /nfs/dbraw/zinc/34/18/62/554341862.db2.gz BMOZIGXBFHXYOX-JOCHJYFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000053336971 554342092 /nfs/dbraw/zinc/34/20/92/554342092.db2.gz NUIHHZCOUIAARC-DEOSSOPVSA-N -1 1 530.558 4.955 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000053336971 554342091 /nfs/dbraw/zinc/34/20/91/554342091.db2.gz NUIHHZCOUIAARC-DEOSSOPVSA-N -1 1 530.558 4.955 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000053336975 554342039 /nfs/dbraw/zinc/34/20/39/554342039.db2.gz NUIHHZCOUIAARC-XMMPIXPASA-N -1 1 530.558 4.955 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000053336975 554342036 /nfs/dbraw/zinc/34/20/36/554342036.db2.gz NUIHHZCOUIAARC-XMMPIXPASA-N -1 1 530.558 4.955 50 30 KJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053337003 554342095 /nfs/dbraw/zinc/34/20/95/554342095.db2.gz MTCOGHZMGCFLJU-QFIPXVFZSA-N -1 1 550.589 4.581 50 30 KJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053337007 554342101 /nfs/dbraw/zinc/34/21/01/554342101.db2.gz MTCOGHZMGCFLJU-JOCHJYFZSA-N -1 1 550.589 4.581 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053337265 554342142 /nfs/dbraw/zinc/34/21/42/554342142.db2.gz SRICTPRXGJHIKL-HNNXBMFYSA-N -1 1 519.398 4.845 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Br)c2)nc1C ZINC000053337269 554342121 /nfs/dbraw/zinc/34/21/21/554342121.db2.gz SRICTPRXGJHIKL-OAHLLOKOSA-N -1 1 519.398 4.845 50 30 KJEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053337324 554342082 /nfs/dbraw/zinc/34/20/82/554342082.db2.gz DCHHFRWCCWYDEC-FPTDNZKUSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053337324 554342079 /nfs/dbraw/zinc/34/20/79/554342079.db2.gz DCHHFRWCCWYDEC-FPTDNZKUSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000053338702 554342698 /nfs/dbraw/zinc/34/26/98/554342698.db2.gz AWASQZDEZOGXRG-RCDICMHDSA-N -1 1 562.600 4.521 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000053339114 554343064 /nfs/dbraw/zinc/34/30/64/554343064.db2.gz YHXGPFKTSBOTEL-SFHVURJKSA-N -1 1 519.735 4.896 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000053339116 554343192 /nfs/dbraw/zinc/34/31/92/554343192.db2.gz YHXGPFKTSBOTEL-GOSISDBHSA-N -1 1 519.735 4.896 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339673 554343483 /nfs/dbraw/zinc/34/34/83/554343483.db2.gz HRJPFNDORNMRDK-QFIPXVFZSA-N -1 1 534.590 4.916 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339673 554343480 /nfs/dbraw/zinc/34/34/80/554343480.db2.gz HRJPFNDORNMRDK-QFIPXVFZSA-N -1 1 534.590 4.916 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339702 554343513 /nfs/dbraw/zinc/34/35/13/554343513.db2.gz HRJPFNDORNMRDK-JOCHJYFZSA-N -1 1 534.590 4.916 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339702 554343511 /nfs/dbraw/zinc/34/35/11/554343511.db2.gz HRJPFNDORNMRDK-JOCHJYFZSA-N -1 1 534.590 4.916 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000053339829 554343820 /nfs/dbraw/zinc/34/38/20/554343820.db2.gz QKHKOMYQGDOTPZ-QFIPXVFZSA-N -1 1 550.589 4.581 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000053339833 554343763 /nfs/dbraw/zinc/34/37/63/554343763.db2.gz QKHKOMYQGDOTPZ-JOCHJYFZSA-N -1 1 550.589 4.581 50 30 KJEAMM N#Cc1ccccc1COC(=O)c1cc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)ccc1Cl ZINC000059630801 554416400 /nfs/dbraw/zinc/41/64/00/554416400.db2.gz ZETYGYXKCIYVBK-JXMROGBWSA-N -1 1 518.869 4.696 50 30 KJEAMM [O-]C(c1cc(I)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000095707623 553709425 /nfs/dbraw/zinc/70/94/25/553709425.db2.gz KVOQFAYORNCNFD-UHFFFAOYSA-N -1 1 536.050 4.916 50 30 KJEAMM C=C(C)COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)ccc1OC ZINC000096114968 553725381 /nfs/dbraw/zinc/72/53/81/553725381.db2.gz CRIUDDZTXCNYMF-KRWDZBQOSA-N -1 1 516.502 4.981 50 30 biogenic KJEAMM C=C(C)COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)ccc1OC ZINC000096114969 553725288 /nfs/dbraw/zinc/72/52/88/553725288.db2.gz CRIUDDZTXCNYMF-QGZVFWFLSA-N -1 1 516.502 4.981 50 30 biogenic KJEAMM C=C(C)COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1 ZINC000096221000 553730195 /nfs/dbraw/zinc/73/01/95/553730195.db2.gz CMGOHAWKTWFEKG-KRWDZBQOSA-N -1 1 502.475 4.678 50 30 biogenic KJEAMM C=C(C)COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1 ZINC000096221002 553730250 /nfs/dbraw/zinc/73/02/50/553730250.db2.gz CMGOHAWKTWFEKG-QGZVFWFLSA-N -1 1 502.475 4.678 50 30 biogenic KJEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000096221562 553730634 /nfs/dbraw/zinc/73/06/34/553730634.db2.gz WPQAWTBDRHNPOW-KRWDZBQOSA-N -1 1 502.475 4.678 50 30 biogenic KJEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000096221563 553730735 /nfs/dbraw/zinc/73/07/35/553730735.db2.gz WPQAWTBDRHNPOW-QGZVFWFLSA-N -1 1 502.475 4.678 50 30 biogenic KJEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096222602 553731277 /nfs/dbraw/zinc/73/12/77/553731277.db2.gz HIWYOVVDFOINAW-INIZCTEOSA-N -1 1 502.475 4.678 50 30 biogenic KJEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096222604 553731251 /nfs/dbraw/zinc/73/12/51/553731251.db2.gz HIWYOVVDFOINAW-MRXNPFEDSA-N -1 1 502.475 4.678 50 30 biogenic KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000097951549 553809675 /nfs/dbraw/zinc/80/96/75/553809675.db2.gz IRCJMNDDUHVDHQ-OAQYLSRUSA-N -1 1 549.561 4.802 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000097951550 553809597 /nfs/dbraw/zinc/80/95/97/553809597.db2.gz IRCJMNDDUHVDHQ-NRFANRHFSA-N -1 1 549.561 4.802 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097951582 553809963 /nfs/dbraw/zinc/80/99/63/553809963.db2.gz FUYABROMPMVSJG-OAQYLSRUSA-N -1 1 524.327 4.934 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097951583 553809899 /nfs/dbraw/zinc/80/98/99/553809899.db2.gz FUYABROMPMVSJG-NRFANRHFSA-N -1 1 524.327 4.934 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952669 553817832 /nfs/dbraw/zinc/81/78/32/553817832.db2.gz NAOXNQZKCFCIKX-HSZRJFAPSA-N -1 1 545.529 4.767 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952670 553817748 /nfs/dbraw/zinc/81/77/48/553817748.db2.gz NAOXNQZKCFCIKX-QHCPKHFHSA-N -1 1 545.529 4.767 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097953063 553819092 /nfs/dbraw/zinc/81/90/92/553819092.db2.gz XSKKJTFLXCVTPO-RUZDIDTESA-N -1 1 541.585 4.980 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097953064 553819170 /nfs/dbraw/zinc/81/91/70/553819170.db2.gz XSKKJTFLXCVTPO-VWLOTQADSA-N -1 1 541.585 4.980 50 30 KJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097953139 553819501 /nfs/dbraw/zinc/81/95/01/553819501.db2.gz COJRWPUCFMTTGQ-HSZRJFAPSA-N -1 1 534.590 4.997 50 30 KJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097953140 553819456 /nfs/dbraw/zinc/81/94/56/553819456.db2.gz COJRWPUCFMTTGQ-QHCPKHFHSA-N -1 1 534.590 4.997 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097953986 553820368 /nfs/dbraw/zinc/82/03/68/553820368.db2.gz JFVHWITURIVVTQ-HSZRJFAPSA-N -1 1 545.529 4.767 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097953987 553820465 /nfs/dbraw/zinc/82/04/65/553820465.db2.gz JFVHWITURIVVTQ-QHCPKHFHSA-N -1 1 545.529 4.767 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097954009 553820693 /nfs/dbraw/zinc/82/06/93/553820693.db2.gz ZRYIZLHBLRJJMD-XMMPIXPASA-N -1 1 530.558 4.868 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097954009 553820690 /nfs/dbraw/zinc/82/06/90/553820690.db2.gz ZRYIZLHBLRJJMD-XMMPIXPASA-N -1 1 530.558 4.868 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000097954010 553820598 /nfs/dbraw/zinc/82/05/98/553820598.db2.gz ZRYIZLHBLRJJMD-DEOSSOPVSA-N -1 1 530.558 4.868 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000097954010 553820594 /nfs/dbraw/zinc/82/05/94/553820594.db2.gz ZRYIZLHBLRJJMD-DEOSSOPVSA-N -1 1 530.558 4.868 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954055 553821032 /nfs/dbraw/zinc/82/10/32/553821032.db2.gz OMZKMPHQCCMVTN-HSZRJFAPSA-N -1 1 532.574 4.773 50 30 KJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954056 553821026 /nfs/dbraw/zinc/82/10/26/553821026.db2.gz OMZKMPHQCCMVTN-QHCPKHFHSA-N -1 1 532.574 4.773 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097954057 553820849 /nfs/dbraw/zinc/82/08/49/553820849.db2.gz MRDBGGJXCUCWNU-XMMPIXPASA-N -1 1 530.558 4.868 50 30 KJEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097954057 553820844 /nfs/dbraw/zinc/82/08/44/553820844.db2.gz MRDBGGJXCUCWNU-XMMPIXPASA-N -1 1 530.558 4.868 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097954058 553820874 /nfs/dbraw/zinc/82/08/74/553820874.db2.gz MRDBGGJXCUCWNU-DEOSSOPVSA-N -1 1 530.558 4.868 50 30 KJEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097954058 553820868 /nfs/dbraw/zinc/82/08/68/553820868.db2.gz MRDBGGJXCUCWNU-DEOSSOPVSA-N -1 1 530.558 4.868 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000097954583 553824426 /nfs/dbraw/zinc/82/44/26/553824426.db2.gz YJINIVHWFNYPQY-WHEQGISXSA-N -1 1 532.574 4.547 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000097954584 553824373 /nfs/dbraw/zinc/82/43/73/553824373.db2.gz YJINIVHWFNYPQY-XMHCIUCPSA-N -1 1 532.574 4.547 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000097954585 553824396 /nfs/dbraw/zinc/82/43/96/553824396.db2.gz YJINIVHWFNYPQY-DMZKTXOQSA-N -1 1 532.574 4.547 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097955075 553828386 /nfs/dbraw/zinc/82/83/86/553828386.db2.gz FXKSGRRFCPGUPU-OAQYLSRUSA-N -1 1 643.468 4.825 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097955076 553828406 /nfs/dbraw/zinc/82/84/06/553828406.db2.gz FXKSGRRFCPGUPU-NRFANRHFSA-N -1 1 643.468 4.825 50 30 KJEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955194 553829381 /nfs/dbraw/zinc/82/93/81/553829381.db2.gz DCHHFRWCCWYDEC-RCDICMHDSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955194 553829379 /nfs/dbraw/zinc/82/93/79/553829379.db2.gz DCHHFRWCCWYDEC-RCDICMHDSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955195 553829821 /nfs/dbraw/zinc/82/98/21/553829821.db2.gz DCHHFRWCCWYDEC-JLCFBVMHSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955195 553829820 /nfs/dbraw/zinc/82/98/20/553829820.db2.gz DCHHFRWCCWYDEC-JLCFBVMHSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955196 553829840 /nfs/dbraw/zinc/82/98/40/553829840.db2.gz DCHHFRWCCWYDEC-PEBXRYMYSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955196 553829839 /nfs/dbraw/zinc/82/98/39/553829839.db2.gz DCHHFRWCCWYDEC-PEBXRYMYSA-N -1 1 534.590 4.743 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097955212 553829812 /nfs/dbraw/zinc/82/98/12/553829812.db2.gz QCFPXDOATKCVSL-HSZRJFAPSA-N -1 1 594.642 4.920 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097955213 553829856 /nfs/dbraw/zinc/82/98/56/553829856.db2.gz QCFPXDOATKCVSL-QHCPKHFHSA-N -1 1 594.642 4.920 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955224 553829846 /nfs/dbraw/zinc/82/98/46/553829846.db2.gz RZVIJQUCNHZVMH-NPMXOYFQSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955224 553829845 /nfs/dbraw/zinc/82/98/45/553829845.db2.gz RZVIJQUCNHZVMH-NPMXOYFQSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955225 553829852 /nfs/dbraw/zinc/82/98/52/553829852.db2.gz RZVIJQUCNHZVMH-IQMFZBJNSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955225 553829851 /nfs/dbraw/zinc/82/98/51/553829851.db2.gz RZVIJQUCNHZVMH-IQMFZBJNSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955226 553829836 /nfs/dbraw/zinc/82/98/36/553829836.db2.gz RZVIJQUCNHZVMH-CMJOXMDJSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955226 553829835 /nfs/dbraw/zinc/82/98/35/553829835.db2.gz RZVIJQUCNHZVMH-CMJOXMDJSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097955275 553830595 /nfs/dbraw/zinc/83/05/95/553830595.db2.gz HKXPGZCELMGXQW-XMMPIXPASA-N -1 1 592.626 4.756 50 30 KJEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097955276 553830689 /nfs/dbraw/zinc/83/06/89/553830689.db2.gz HKXPGZCELMGXQW-DEOSSOPVSA-N -1 1 592.626 4.756 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955614 553831986 /nfs/dbraw/zinc/83/19/86/553831986.db2.gz KBJQNQREFZEEHH-RCDICMHDSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955614 553831985 /nfs/dbraw/zinc/83/19/85/553831985.db2.gz KBJQNQREFZEEHH-RCDICMHDSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955615 553832057 /nfs/dbraw/zinc/83/20/57/553832057.db2.gz KBJQNQREFZEEHH-JLCFBVMHSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955615 553832055 /nfs/dbraw/zinc/83/20/55/553832055.db2.gz KBJQNQREFZEEHH-JLCFBVMHSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955616 553832006 /nfs/dbraw/zinc/83/20/06/553832006.db2.gz KBJQNQREFZEEHH-PEBXRYMYSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955616 553832004 /nfs/dbraw/zinc/83/20/04/553832004.db2.gz KBJQNQREFZEEHH-PEBXRYMYSA-N -1 1 534.590 4.743 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097955688 553832889 /nfs/dbraw/zinc/83/28/89/553832889.db2.gz WQNYLOXAULRVGO-JOCHJYFZSA-N -1 1 552.605 4.832 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097955689 553832895 /nfs/dbraw/zinc/83/28/95/553832895.db2.gz WQNYLOXAULRVGO-QFIPXVFZSA-N -1 1 552.605 4.832 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955766 553833873 /nfs/dbraw/zinc/83/38/73/553833873.db2.gz UCQAHWKMYBCXTD-NPMXOYFQSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955766 553833871 /nfs/dbraw/zinc/83/38/71/553833871.db2.gz UCQAHWKMYBCXTD-NPMXOYFQSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955767 553834025 /nfs/dbraw/zinc/83/40/25/553834025.db2.gz UCQAHWKMYBCXTD-WNSKOXEYSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955767 553834022 /nfs/dbraw/zinc/83/40/22/553834022.db2.gz UCQAHWKMYBCXTD-WNSKOXEYSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955768 553833922 /nfs/dbraw/zinc/83/39/22/553833922.db2.gz UCQAHWKMYBCXTD-CMJOXMDJSA-N -1 1 546.601 4.909 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955768 553833919 /nfs/dbraw/zinc/83/39/19/553833919.db2.gz UCQAHWKMYBCXTD-CMJOXMDJSA-N -1 1 546.601 4.909 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097955776 553833961 /nfs/dbraw/zinc/83/39/61/553833961.db2.gz FKTLDHBVVRCUKA-FKIZINRSSA-N -1 1 524.982 4.998 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097955777 553833890 /nfs/dbraw/zinc/83/38/90/553833890.db2.gz FKTLDHBVVRCUKA-YUNKPMOVSA-N -1 1 524.982 4.998 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097955778 553833850 /nfs/dbraw/zinc/83/38/50/553833850.db2.gz FKTLDHBVVRCUKA-MPBGBICISA-N -1 1 524.982 4.998 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097955779 553833930 /nfs/dbraw/zinc/83/39/30/553833930.db2.gz FKTLDHBVVRCUKA-ODXCJYRJSA-N -1 1 524.982 4.998 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000097956786 553841834 /nfs/dbraw/zinc/84/18/34/553841834.db2.gz YRFGYPQILMQRRC-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000097956787 553841769 /nfs/dbraw/zinc/84/17/69/553841769.db2.gz YRFGYPQILMQRRC-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956799 553841712 /nfs/dbraw/zinc/84/17/12/553841712.db2.gz DFAFSSLYFMUJOO-HSZRJFAPSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956799 553841709 /nfs/dbraw/zinc/84/17/09/553841709.db2.gz DFAFSSLYFMUJOO-HSZRJFAPSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956800 553841854 /nfs/dbraw/zinc/84/18/54/553841854.db2.gz DFAFSSLYFMUJOO-QHCPKHFHSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956800 553841851 /nfs/dbraw/zinc/84/18/51/553841851.db2.gz DFAFSSLYFMUJOO-QHCPKHFHSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097956805 553841824 /nfs/dbraw/zinc/84/18/24/553841824.db2.gz VQOWVJWGHHFDQV-JOCHJYFZSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097956805 553841820 /nfs/dbraw/zinc/84/18/20/553841820.db2.gz VQOWVJWGHHFDQV-JOCHJYFZSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097956806 553841919 /nfs/dbraw/zinc/84/19/19/553841919.db2.gz VQOWVJWGHHFDQV-QFIPXVFZSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097956806 553841916 /nfs/dbraw/zinc/84/19/16/553841916.db2.gz VQOWVJWGHHFDQV-QFIPXVFZSA-N -1 1 564.616 4.911 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956811 553842254 /nfs/dbraw/zinc/84/22/54/553842254.db2.gz CHEPAEONKFLZKC-JOCHJYFZSA-N -1 1 552.605 4.832 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956812 553842231 /nfs/dbraw/zinc/84/22/31/553842231.db2.gz CHEPAEONKFLZKC-QFIPXVFZSA-N -1 1 552.605 4.832 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000097956822 553842357 /nfs/dbraw/zinc/84/23/57/553842357.db2.gz NLFVVPLGYHJJIB-OAQYLSRUSA-N -1 1 549.561 4.802 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000097956823 553842353 /nfs/dbraw/zinc/84/23/53/553842353.db2.gz NLFVVPLGYHJJIB-NRFANRHFSA-N -1 1 549.561 4.802 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097956828 553842134 /nfs/dbraw/zinc/84/21/34/553842134.db2.gz YLDIZCRLFMYDJB-JOCHJYFZSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097956828 553842133 /nfs/dbraw/zinc/84/21/33/553842133.db2.gz YLDIZCRLFMYDJB-JOCHJYFZSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097956829 553842323 /nfs/dbraw/zinc/84/23/23/553842323.db2.gz YLDIZCRLFMYDJB-QFIPXVFZSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097956829 553842321 /nfs/dbraw/zinc/84/23/21/553842321.db2.gz YLDIZCRLFMYDJB-QFIPXVFZSA-N -1 1 564.616 4.911 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000097956830 553842300 /nfs/dbraw/zinc/84/23/00/553842300.db2.gz OSCUUDVWMYMWAD-HXUWFJFHSA-N -1 1 537.550 4.636 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000097956831 553842223 /nfs/dbraw/zinc/84/22/23/553842223.db2.gz OSCUUDVWMYMWAD-FQEVSTJZSA-N -1 1 537.550 4.636 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956832 553842276 /nfs/dbraw/zinc/84/22/76/553842276.db2.gz SQUKEAYGMRNWAS-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956832 553842272 /nfs/dbraw/zinc/84/22/72/553842272.db2.gz SQUKEAYGMRNWAS-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956833 553842330 /nfs/dbraw/zinc/84/23/30/553842330.db2.gz SQUKEAYGMRNWAS-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956833 553842328 /nfs/dbraw/zinc/84/23/28/553842328.db2.gz SQUKEAYGMRNWAS-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956834 553842343 /nfs/dbraw/zinc/84/23/43/553842343.db2.gz PSLOZABEPIAYRM-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956835 553842211 /nfs/dbraw/zinc/84/22/11/553842211.db2.gz PSLOZABEPIAYRM-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000097956836 553842193 /nfs/dbraw/zinc/84/21/93/553842193.db2.gz HYQFAWAGWTYHIQ-HXUWFJFHSA-N -1 1 537.550 4.636 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000097956837 553842184 /nfs/dbraw/zinc/84/21/84/553842184.db2.gz HYQFAWAGWTYHIQ-FQEVSTJZSA-N -1 1 537.550 4.636 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000097956840 553842714 /nfs/dbraw/zinc/84/27/14/553842714.db2.gz QPSGJMDVOQCRRX-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000097956840 553842712 /nfs/dbraw/zinc/84/27/12/553842712.db2.gz QPSGJMDVOQCRRX-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000097956841 553842703 /nfs/dbraw/zinc/84/27/03/553842703.db2.gz QPSGJMDVOQCRRX-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000097956841 553842701 /nfs/dbraw/zinc/84/27/01/553842701.db2.gz QPSGJMDVOQCRRX-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000097956868 553842626 /nfs/dbraw/zinc/84/26/26/553842626.db2.gz KBSGPQBBDKUHJU-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000097956868 553842623 /nfs/dbraw/zinc/84/26/23/553842623.db2.gz KBSGPQBBDKUHJU-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000097956869 553842915 /nfs/dbraw/zinc/84/29/15/553842915.db2.gz KBSGPQBBDKUHJU-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000097956869 553842914 /nfs/dbraw/zinc/84/29/14/553842914.db2.gz KBSGPQBBDKUHJU-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956873 553842936 /nfs/dbraw/zinc/84/29/36/553842936.db2.gz XNYXFPVIAFZWRZ-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956874 553842999 /nfs/dbraw/zinc/84/29/99/553842999.db2.gz XNYXFPVIAFZWRZ-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000097956883 553842955 /nfs/dbraw/zinc/84/29/55/553842955.db2.gz CCFPIFNTHFQOJF-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000097956883 553842953 /nfs/dbraw/zinc/84/29/53/553842953.db2.gz CCFPIFNTHFQOJF-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000097956884 553843035 /nfs/dbraw/zinc/84/30/35/553843035.db2.gz CCFPIFNTHFQOJF-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000097956884 553843033 /nfs/dbraw/zinc/84/30/33/553843033.db2.gz CCFPIFNTHFQOJF-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956887 553842928 /nfs/dbraw/zinc/84/29/28/553842928.db2.gz MAELHERNADQBAS-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956887 553842927 /nfs/dbraw/zinc/84/29/27/553842927.db2.gz MAELHERNADQBAS-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956888 553843015 /nfs/dbraw/zinc/84/30/15/553843015.db2.gz MAELHERNADQBAS-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956888 553843012 /nfs/dbraw/zinc/84/30/12/553843012.db2.gz MAELHERNADQBAS-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM COc1ccc(/N=C2\NC(=O)/C(=C/c3cc(OC)c([O-])c(Br)c3Br)S2)cc1 ZINC000097960119 553868236 /nfs/dbraw/zinc/86/82/36/553868236.db2.gz MMAKIWMEJUOKOS-JYRVWZFOSA-N -1 1 514.195 4.826 50 30 KJEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/CC(O)C/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097965292 553904129 /nfs/dbraw/zinc/90/41/29/553904129.db2.gz DPJMCEGTZOMLLR-CRDPYYQKSA-N -1 1 604.754 4.804 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097966954 553912321 /nfs/dbraw/zinc/91/23/21/553912321.db2.gz ZADPLSUQAOVQJG-HSZRJFAPSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097966954 553912318 /nfs/dbraw/zinc/91/23/18/553912318.db2.gz ZADPLSUQAOVQJG-HSZRJFAPSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097966955 553912372 /nfs/dbraw/zinc/91/23/72/553912372.db2.gz ZADPLSUQAOVQJG-QHCPKHFHSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097966955 553912369 /nfs/dbraw/zinc/91/23/69/553912369.db2.gz ZADPLSUQAOVQJG-QHCPKHFHSA-N -1 1 564.616 4.999 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000097967022 553913184 /nfs/dbraw/zinc/91/31/84/553913184.db2.gz ASVKYHZEFZIBAL-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000097967023 553913121 /nfs/dbraw/zinc/91/31/21/553913121.db2.gz ASVKYHZEFZIBAL-HSZRJFAPSA-N -1 1 564.616 4.911 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097967045 553913064 /nfs/dbraw/zinc/91/30/64/553913064.db2.gz MJNGPUDHQFPTMZ-QHCPKHFHSA-N -1 1 594.642 4.920 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097967046 553913050 /nfs/dbraw/zinc/91/30/50/553913050.db2.gz MJNGPUDHQFPTMZ-HSZRJFAPSA-N -1 1 594.642 4.920 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097967296 553916286 /nfs/dbraw/zinc/91/62/86/553916286.db2.gz LORXUGBBSXKGGX-RUZDIDTESA-N -1 1 560.584 4.876 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097967296 553916284 /nfs/dbraw/zinc/91/62/84/553916284.db2.gz LORXUGBBSXKGGX-RUZDIDTESA-N -1 1 560.584 4.876 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097967297 553916380 /nfs/dbraw/zinc/91/63/80/553916380.db2.gz LORXUGBBSXKGGX-VWLOTQADSA-N -1 1 560.584 4.876 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097967297 553916379 /nfs/dbraw/zinc/91/63/79/553916379.db2.gz LORXUGBBSXKGGX-VWLOTQADSA-N -1 1 560.584 4.876 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097967447 553918422 /nfs/dbraw/zinc/91/84/22/553918422.db2.gz AWASQZDEZOGXRG-FPTDNZKUSA-N -1 1 562.600 4.521 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097967448 553918482 /nfs/dbraw/zinc/91/84/82/553918482.db2.gz AWASQZDEZOGXRG-JLCFBVMHSA-N -1 1 562.600 4.521 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097967449 553918466 /nfs/dbraw/zinc/91/84/66/553918466.db2.gz AWASQZDEZOGXRG-PEBXRYMYSA-N -1 1 562.600 4.521 50 30 KJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097967608 553920529 /nfs/dbraw/zinc/92/05/29/553920529.db2.gz XPIVCKOIRANQGS-HSZRJFAPSA-N -1 1 564.616 4.971 50 30 KJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097967609 553920694 /nfs/dbraw/zinc/92/06/94/553920694.db2.gz XPIVCKOIRANQGS-QHCPKHFHSA-N -1 1 564.616 4.971 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097968035 553926567 /nfs/dbraw/zinc/92/65/67/553926567.db2.gz MFBSZATYIBAVGC-AREMUKBSSA-N -1 1 571.611 4.988 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097968036 553926644 /nfs/dbraw/zinc/92/66/44/553926644.db2.gz MFBSZATYIBAVGC-SANMLTNESA-N -1 1 571.611 4.988 50 30 KJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097968430 553932414 /nfs/dbraw/zinc/93/24/14/553932414.db2.gz DGLWMKHMDOLVKN-RUZDIDTESA-N -1 1 560.584 4.963 50 30 KJEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097968430 553932410 /nfs/dbraw/zinc/93/24/10/553932410.db2.gz DGLWMKHMDOLVKN-RUZDIDTESA-N -1 1 560.584 4.963 50 30 KJEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097968431 553932369 /nfs/dbraw/zinc/93/23/69/553932369.db2.gz DGLWMKHMDOLVKN-VWLOTQADSA-N -1 1 560.584 4.963 50 30 KJEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097968431 553932366 /nfs/dbraw/zinc/93/23/66/553932366.db2.gz DGLWMKHMDOLVKN-VWLOTQADSA-N -1 1 560.584 4.963 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969074 553936246 /nfs/dbraw/zinc/93/62/46/553936246.db2.gz PALYUTOMUNZYED-JOCHJYFZSA-N -1 1 582.631 4.754 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969075 553936213 /nfs/dbraw/zinc/93/62/13/553936213.db2.gz PALYUTOMUNZYED-QFIPXVFZSA-N -1 1 582.631 4.754 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969267 553938716 /nfs/dbraw/zinc/93/87/16/553938716.db2.gz MLKZGWLPVXKONV-XMMPIXPASA-N -1 1 558.568 4.646 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969268 553938874 /nfs/dbraw/zinc/93/88/74/553938874.db2.gz MLKZGWLPVXKONV-DEOSSOPVSA-N -1 1 558.568 4.646 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969285 553939161 /nfs/dbraw/zinc/93/91/61/553939161.db2.gz JDDCVYQXBNIJTA-RUZDIDTESA-N -1 1 590.610 4.885 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969286 553939419 /nfs/dbraw/zinc/93/94/19/553939419.db2.gz JDDCVYQXBNIJTA-VWLOTQADSA-N -1 1 590.610 4.885 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097969470 553940995 /nfs/dbraw/zinc/94/09/95/553940995.db2.gz GZAIMTNOJXSGSC-JOCHJYFZSA-N -1 1 552.605 4.745 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097969471 553941150 /nfs/dbraw/zinc/94/11/50/553941150.db2.gz GZAIMTNOJXSGSC-QFIPXVFZSA-N -1 1 552.605 4.745 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097969728 553944095 /nfs/dbraw/zinc/94/40/95/553944095.db2.gz NMIIVHBXWIJFNN-NPMXOYFQSA-N -1 1 574.611 4.687 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097969729 553944133 /nfs/dbraw/zinc/94/41/33/553944133.db2.gz NMIIVHBXWIJFNN-IQMFZBJNSA-N -1 1 574.611 4.687 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097969730 553944257 /nfs/dbraw/zinc/94/42/57/553944257.db2.gz NMIIVHBXWIJFNN-CMJOXMDJSA-N -1 1 574.611 4.687 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097969757 553944662 /nfs/dbraw/zinc/94/46/62/553944662.db2.gz FQZGWZYLOAHKIS-RUZDIDTESA-N -1 1 560.584 4.963 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097969758 553944606 /nfs/dbraw/zinc/94/46/06/553944606.db2.gz FQZGWZYLOAHKIS-VWLOTQADSA-N -1 1 560.584 4.963 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097969817 553945582 /nfs/dbraw/zinc/94/55/82/553945582.db2.gz HPMCNAHIKOWARU-HSZRJFAPSA-N -1 1 562.600 4.747 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097969818 553945632 /nfs/dbraw/zinc/94/56/32/553945632.db2.gz HPMCNAHIKOWARU-QHCPKHFHSA-N -1 1 562.600 4.747 50 30 KJEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969827 553945442 /nfs/dbraw/zinc/94/54/42/553945442.db2.gz OWZOOXMMBKKALB-HSZRJFAPSA-N -1 1 564.616 4.971 50 30 KJEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969828 553945650 /nfs/dbraw/zinc/94/56/50/553945650.db2.gz OWZOOXMMBKKALB-QHCPKHFHSA-N -1 1 564.616 4.971 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097969926 553946981 /nfs/dbraw/zinc/94/69/81/553946981.db2.gz HPOWXMWTRKMPIB-HXUWFJFHSA-N -1 1 631.457 4.659 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097969927 553946962 /nfs/dbraw/zinc/94/69/62/553946962.db2.gz HPOWXMWTRKMPIB-FQEVSTJZSA-N -1 1 631.457 4.659 50 30 KJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970392 553953217 /nfs/dbraw/zinc/95/32/17/553953217.db2.gz MYKWIIQYGTXYEB-XMMPIXPASA-N -1 1 594.642 4.980 50 30 KJEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970393 553953269 /nfs/dbraw/zinc/95/32/69/553953269.db2.gz MYKWIIQYGTXYEB-DEOSSOPVSA-N -1 1 594.642 4.980 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970581 553955988 /nfs/dbraw/zinc/95/59/88/553955988.db2.gz RJXXYXCZPUEQDX-PRWKNARSSA-N -1 1 615.458 4.821 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970582 553956396 /nfs/dbraw/zinc/95/63/96/553956396.db2.gz RJXXYXCZPUEQDX-YBTHPKLGSA-N -1 1 615.458 4.821 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970583 553956230 /nfs/dbraw/zinc/95/62/30/553956230.db2.gz RJXXYXCZPUEQDX-BIBXISHDSA-N -1 1 615.458 4.821 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970584 553956246 /nfs/dbraw/zinc/95/62/46/553956246.db2.gz RJXXYXCZPUEQDX-GIPWTMENSA-N -1 1 615.458 4.821 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097971029 553960664 /nfs/dbraw/zinc/96/06/64/553960664.db2.gz TVQRIRMVFHUXAJ-QFIPXVFZSA-N -1 1 550.589 4.608 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097971030 553960586 /nfs/dbraw/zinc/96/05/86/553960586.db2.gz TVQRIRMVFHUXAJ-JOCHJYFZSA-N -1 1 550.589 4.608 50 30 KJEAMM O=C(Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000097980622 553990346 /nfs/dbraw/zinc/99/03/46/553990346.db2.gz FIUVXHWYJNKQCL-UHFFFAOYSA-N -1 1 561.085 4.644 50 30 KJEAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)cc2)c1C ZINC000097980623 553990388 /nfs/dbraw/zinc/99/03/88/553990388.db2.gz NMKOYIOTONCROW-UHFFFAOYSA-N -1 1 554.694 4.607 50 30 KJEAMM CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)ccc1OC(F)F ZINC000097984505 554017172 /nfs/dbraw/zinc/01/71/72/554017172.db2.gz PHLGWUWPDNGFSX-UHFFFAOYSA-N -1 1 607.632 4.672 50 30 KJEAMM CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)ccc1OC(F)F ZINC000097984505 554017170 /nfs/dbraw/zinc/01/71/70/554017170.db2.gz PHLGWUWPDNGFSX-UHFFFAOYSA-N -1 1 607.632 4.672 50 30 KJEAMM CS(=O)(=O)N=C([O-])Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000097995791 554037641 /nfs/dbraw/zinc/03/76/41/554037641.db2.gz JKVGKTWFQFLTEN-UHFFFAOYSA-N -1 1 527.411 4.666 50 30 KJEAMM CS(=O)(=O)[N-]C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000097995791 554037639 /nfs/dbraw/zinc/03/76/39/554037639.db2.gz JKVGKTWFQFLTEN-UHFFFAOYSA-N -1 1 527.411 4.666 50 30 KJEAMM O=C(CSc1nnc(NN=Cc2c[nH]c3ccccc23)[n-]1)Nc1nnc(SCc2ccccc2)s1 ZINC000098045973 554134964 /nfs/dbraw/zinc/13/49/64/554134964.db2.gz DNRLDUMEPXNETF-BHGWPJFGSA-N -1 1 521.657 4.607 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098046353 554138328 /nfs/dbraw/zinc/13/83/28/554138328.db2.gz HBAIHYDEIGFMDU-GOSISDBHSA-N -1 1 530.400 4.723 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098046354 554138369 /nfs/dbraw/zinc/13/83/69/554138369.db2.gz HBAIHYDEIGFMDU-SFHVURJKSA-N -1 1 530.400 4.723 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098046547 554140798 /nfs/dbraw/zinc/14/07/98/554140798.db2.gz OSNAYSHYXXHYLI-GOSISDBHSA-N -1 1 542.367 4.852 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098046548 554140750 /nfs/dbraw/zinc/14/07/50/554140750.db2.gz OSNAYSHYXXHYLI-SFHVURJKSA-N -1 1 542.367 4.852 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098046608 554141565 /nfs/dbraw/zinc/14/15/65/554141565.db2.gz PSZIJKQYJAHGQS-RUZDIDTESA-N -1 1 541.585 4.980 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098046609 554141677 /nfs/dbraw/zinc/14/16/77/554141677.db2.gz PSZIJKQYJAHGQS-VWLOTQADSA-N -1 1 541.585 4.980 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000098046643 554142023 /nfs/dbraw/zinc/14/20/23/554142023.db2.gz ITOZZPIUYQSKLY-HXUWFJFHSA-N -1 1 534.546 4.784 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000098046644 554141960 /nfs/dbraw/zinc/14/19/60/554141960.db2.gz ITOZZPIUYQSKLY-FQEVSTJZSA-N -1 1 534.546 4.784 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000098047438 554150977 /nfs/dbraw/zinc/15/09/77/554150977.db2.gz FPTHIAVOWVLPNF-JOCHJYFZSA-N -1 1 552.605 4.832 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000098047439 554150944 /nfs/dbraw/zinc/15/09/44/554150944.db2.gz FPTHIAVOWVLPNF-QFIPXVFZSA-N -1 1 552.605 4.832 50 30 KJEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047489 554151930 /nfs/dbraw/zinc/15/19/30/554151930.db2.gz VHKPAUUZODVPKW-JOCHJYFZSA-N -1 1 564.616 4.987 50 30 KJEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047490 554151776 /nfs/dbraw/zinc/15/17/76/554151776.db2.gz VHKPAUUZODVPKW-QFIPXVFZSA-N -1 1 564.616 4.987 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2ccc(N(C)C)cc2)nc1C ZINC000098047921 554157634 /nfs/dbraw/zinc/15/76/34/554157634.db2.gz XEHPIUKQZARTCK-OAQYLSRUSA-N -1 1 547.589 4.842 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4cccc(OC)c4o3)[C@H]2c2ccc(N(C)C)cc2)nc1C ZINC000098047921 554157632 /nfs/dbraw/zinc/15/76/32/554157632.db2.gz XEHPIUKQZARTCK-OAQYLSRUSA-N -1 1 547.589 4.842 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2ccc(N(C)C)cc2)nc1C ZINC000098047922 554157665 /nfs/dbraw/zinc/15/76/65/554157665.db2.gz XEHPIUKQZARTCK-NRFANRHFSA-N -1 1 547.589 4.842 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4cccc(OC)c4o3)[C@@H]2c2ccc(N(C)C)cc2)nc1C ZINC000098047922 554157663 /nfs/dbraw/zinc/15/76/63/554157663.db2.gz XEHPIUKQZARTCK-NRFANRHFSA-N -1 1 547.589 4.842 50 30 KJEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000098048023 554158776 /nfs/dbraw/zinc/15/87/76/554158776.db2.gz DVIDRUJNNHRISA-IZHWHUGBSA-N -1 1 533.606 4.916 50 30 KJEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000098048023 554158772 /nfs/dbraw/zinc/15/87/72/554158772.db2.gz DVIDRUJNNHRISA-IZHWHUGBSA-N -1 1 533.606 4.916 50 30 KJEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000098048024 554158849 /nfs/dbraw/zinc/15/88/49/554158849.db2.gz 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C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000098050339 554174005 /nfs/dbraw/zinc/17/40/05/554174005.db2.gz JWDSRWSVHAWCNP-QHCPKHFHSA-N -1 1 564.616 4.911 50 30 KJEAMM O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCCC3)[nH]2)cc1 ZINC000100028324 554184154 /nfs/dbraw/zinc/18/41/54/554184154.db2.gz BWIDDQKVCBYGMC-FOKLQQMPSA-N -1 1 578.225 4.800 50 30 KJEAMM CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000100099302 554219559 /nfs/dbraw/zinc/21/95/59/554219559.db2.gz VXXFCLFWNNZLGY-PPAWOMOGSA-N -1 1 540.421 4.759 50 30 KJEAMM CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000100099307 554219607 /nfs/dbraw/zinc/21/96/07/554219607.db2.gz VXXFCLFWNNZLGY-CTJICSLTSA-N -1 1 540.421 4.759 50 30 KJEAMM CCOC(=O)c1sc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C(=O)OCC)c1C ZINC000100207869 554248263 /nfs/dbraw/zinc/24/82/63/554248263.db2.gz JLXSQAGIJWIXHR-MEFGMAGPSA-N -1 1 504.568 4.629 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C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100737036 554461331 /nfs/dbraw/zinc/46/13/31/554461331.db2.gz WVHZQMBTKBDXFU-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100737036 554461329 /nfs/dbraw/zinc/46/13/29/554461329.db2.gz WVHZQMBTKBDXFU-JOCHJYFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100737038 554461365 /nfs/dbraw/zinc/46/13/65/554461365.db2.gz WVHZQMBTKBDXFU-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100737038 554461364 /nfs/dbraw/zinc/46/13/64/554461364.db2.gz WVHZQMBTKBDXFU-QFIPXVFZSA-N -1 1 534.590 4.903 50 30 KJEAMM O=C(C=C([O-])C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1 ZINC000100742304 554463488 /nfs/dbraw/zinc/46/34/88/554463488.db2.gz MIQGNSFUHZKQNY-UHFFFAOYSA-N 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586.119 4.621 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000101027095 554564089 /nfs/dbraw/zinc/56/40/89/554564089.db2.gz PENTVAVCSRKXNZ-JOCHJYFZSA-N -1 1 544.614 4.780 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000101027098 554564192 /nfs/dbraw/zinc/56/41/92/554564192.db2.gz PENTVAVCSRKXNZ-QFIPXVFZSA-N -1 1 544.614 4.780 50 30 KJEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069852 554574478 /nfs/dbraw/zinc/57/44/78/554574478.db2.gz IOAKKKUTFGEKGF-HOGKFDNTSA-N -1 1 536.338 4.942 50 30 KJEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069853 554574249 /nfs/dbraw/zinc/57/42/49/554574249.db2.gz IOAKKKUTFGEKGF-MOBKVPTQSA-N -1 1 536.338 4.942 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000101276729 554702968 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C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000101313691 554722129 /nfs/dbraw/zinc/72/21/29/554722129.db2.gz CPXFSYGLYXNZCB-PNHZJWGWSA-N -1 1 546.601 4.753 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000101313691 554722128 /nfs/dbraw/zinc/72/21/28/554722128.db2.gz CPXFSYGLYXNZCB-PNHZJWGWSA-N -1 1 546.601 4.753 50 30 KJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000101313694 554722155 /nfs/dbraw/zinc/72/21/55/554722155.db2.gz CPXFSYGLYXNZCB-JEFHYQBXSA-N -1 1 546.601 4.753 50 30 KJEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000101313694 554722154 /nfs/dbraw/zinc/72/21/54/554722154.db2.gz CPXFSYGLYXNZCB-JEFHYQBXSA-N -1 1 546.601 4.753 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000101313696 554722246 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C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000101313914 554722493 /nfs/dbraw/zinc/72/24/93/554722493.db2.gz GSEUMTJMZDFFJN-ZHHPLPSFSA-N -1 1 532.574 4.616 50 30 KJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000101313917 554722404 /nfs/dbraw/zinc/72/24/04/554722404.db2.gz GSEUMTJMZDFFJN-AYWGPLOBSA-N -1 1 532.574 4.616 50 30 KJEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000101313917 554722401 /nfs/dbraw/zinc/72/24/01/554722401.db2.gz GSEUMTJMZDFFJN-AYWGPLOBSA-N -1 1 532.574 4.616 50 30 KJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313925 554722510 /nfs/dbraw/zinc/72/25/10/554722510.db2.gz MQIOSCQRISJCNY-ZHHPLPSFSA-N -1 1 562.600 4.591 50 30 KJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313930 554722560 /nfs/dbraw/zinc/72/25/60/554722560.db2.gz 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Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@H](C(=O)c2ccc([O-])cc2O)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000102308304 554909518 /nfs/dbraw/zinc/90/95/18/554909518.db2.gz FQQOLCWAWKNRDL-YECSISTDSA-N -1 1 627.675 4.707 50 30 KJEAMM Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@@H](C(=O)c2ccc([O-])cc2O)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000102308307 554909560 /nfs/dbraw/zinc/90/95/60/554909560.db2.gz FQQOLCWAWKNRDL-WNUXVYNKSA-N -1 1 627.675 4.707 50 30 KJEAMM Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@H](C(=O)c2ccc([O-])cc2O)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000102308311 554909553 /nfs/dbraw/zinc/90/95/53/554909553.db2.gz FQQOLCWAWKNRDL-QRFHUHNPSA-N -1 1 627.675 4.707 50 30 KJEAMM Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@@H](C(=O)c2ccc([O-])cc2O)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000102308317 554909442 /nfs/dbraw/zinc/90/94/42/554909442.db2.gz FQQOLCWAWKNRDL-YOJFHRFJSA-N -1 1 627.675 4.707 50 30 KJEAMM Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000102324870 554912125 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ZINC000102482521 554937381 /nfs/dbraw/zinc/93/73/81/554937381.db2.gz NHBOUIHVQILMPP-JBCNATCCSA-N -1 1 506.580 4.744 50 30 KJEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102482529 554937347 /nfs/dbraw/zinc/93/73/47/554937347.db2.gz NHBOUIHVQILMPP-MRJHHRETSA-N -1 1 506.580 4.744 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102483460 554937770 /nfs/dbraw/zinc/93/77/70/554937770.db2.gz NDIPOFQETKIBMI-HOGKFDNTSA-N -1 1 536.562 4.940 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102483468 554937725 /nfs/dbraw/zinc/93/77/25/554937725.db2.gz NDIPOFQETKIBMI-MOBKVPTQSA-N -1 1 536.562 4.940 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102484171 554937904 /nfs/dbraw/zinc/93/79/04/554937904.db2.gz RBVIGGXCKNOMBW-LFVOPCPISA-N -1 1 528.970 4.535 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102484177 554937913 /nfs/dbraw/zinc/93/79/13/554937913.db2.gz RBVIGGXCKNOMBW-WOOAAIBNSA-N -1 1 528.970 4.535 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102485021 554937988 /nfs/dbraw/zinc/93/79/88/554937988.db2.gz RHBZBCJJXNTLTB-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102485027 554937924 /nfs/dbraw/zinc/93/79/24/554937924.db2.gz RHBZBCJJXNTLTB-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102485880 554938331 /nfs/dbraw/zinc/93/83/31/554938331.db2.gz IRUIXPPCXIAMGZ-NHFXJNLRSA-N -1 1 510.543 4.792 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102485891 554938255 /nfs/dbraw/zinc/93/82/55/554938255.db2.gz IRUIXPPCXIAMGZ-YDJIHCHBSA-N -1 1 510.543 4.792 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102488381 554938844 /nfs/dbraw/zinc/93/88/44/554938844.db2.gz BPYCQVYUUVQHHO-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102488381 554938842 /nfs/dbraw/zinc/93/88/42/554938842.db2.gz BPYCQVYUUVQHHO-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102488390 554938884 /nfs/dbraw/zinc/93/88/84/554938884.db2.gz BPYCQVYUUVQHHO-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102488390 554938883 /nfs/dbraw/zinc/93/88/83/554938883.db2.gz BPYCQVYUUVQHHO-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000102491912 554939467 /nfs/dbraw/zinc/93/94/67/554939467.db2.gz NEBRBPYTIAPLEX-YDJIHCHBSA-N -1 1 510.543 4.711 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000102491923 554939682 /nfs/dbraw/zinc/93/96/82/554939682.db2.gz NEBRBPYTIAPLEX-NHFXJNLRSA-N -1 1 510.543 4.711 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102495472 554940295 /nfs/dbraw/zinc/94/02/95/554940295.db2.gz MOUCQKLVYSCJFY-JBCNATCCSA-N -1 1 506.536 4.932 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102495479 554940278 /nfs/dbraw/zinc/94/02/78/554940278.db2.gz MOUCQKLVYSCJFY-MRJHHRETSA-N -1 1 506.536 4.932 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102506938 554944868 /nfs/dbraw/zinc/94/48/68/554944868.db2.gz QKLDOCVEDZGYBG-JBCNATCCSA-N -1 1 522.535 4.550 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102506945 554944894 /nfs/dbraw/zinc/94/48/94/554944894.db2.gz QKLDOCVEDZGYBG-MRJHHRETSA-N -1 1 522.535 4.550 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000102507532 554944939 /nfs/dbraw/zinc/94/49/39/554944939.db2.gz QHCHXRSFORGUDV-DPEHCCBOSA-N -1 1 519.398 4.688 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102507538 554944932 /nfs/dbraw/zinc/94/49/32/554944932.db2.gz QHCHXRSFORGUDV-IDTYTIONSA-N -1 1 519.398 4.688 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102510760 554946197 /nfs/dbraw/zinc/94/61/97/554946197.db2.gz MCZNVKKAQJDUOM-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102510760 554946194 /nfs/dbraw/zinc/94/61/94/554946194.db2.gz MCZNVKKAQJDUOM-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102510770 554946327 /nfs/dbraw/zinc/94/63/27/554946327.db2.gz MCZNVKKAQJDUOM-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102510770 554946325 /nfs/dbraw/zinc/94/63/25/554946325.db2.gz MCZNVKKAQJDUOM-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102511537 554946483 /nfs/dbraw/zinc/94/64/83/554946483.db2.gz ZPYVNLCWFVZREX-NXLSWJSLSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102511537 554946480 /nfs/dbraw/zinc/94/64/80/554946480.db2.gz ZPYVNLCWFVZREX-NXLSWJSLSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102511546 554946591 /nfs/dbraw/zinc/94/65/91/554946591.db2.gz ZPYVNLCWFVZREX-SBXHHDGASA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102511546 554946589 /nfs/dbraw/zinc/94/65/89/554946589.db2.gz ZPYVNLCWFVZREX-SBXHHDGASA-N -1 1 532.574 4.957 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102512998 554947061 /nfs/dbraw/zinc/94/70/61/554947061.db2.gz ZYYLQBZQCPKUPG-MRJHHRETSA-N -1 1 524.526 4.989 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102513010 554947072 /nfs/dbraw/zinc/94/70/72/554947072.db2.gz ZYYLQBZQCPKUPG-JBCNATCCSA-N -1 1 524.526 4.989 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102513858 554947176 /nfs/dbraw/zinc/94/71/76/554947176.db2.gz QQBHDGWSFMIETM-JBCNATCCSA-N -1 1 505.483 4.979 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102513869 554947156 /nfs/dbraw/zinc/94/71/56/554947156.db2.gz QQBHDGWSFMIETM-MRJHHRETSA-N -1 1 505.483 4.979 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102514588 554947639 /nfs/dbraw/zinc/94/76/39/554947639.db2.gz NSHOXHDAMMZDNS-WOOAAIBNSA-N -1 1 512.971 4.835 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102514596 554947629 /nfs/dbraw/zinc/94/76/29/554947629.db2.gz NSHOXHDAMMZDNS-LFVOPCPISA-N -1 1 512.971 4.835 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000102516951 554948224 /nfs/dbraw/zinc/94/82/24/554948224.db2.gz GBGUHVTZMQIBIE-JBCNATCCSA-N -1 1 506.580 4.880 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102516959 554948242 /nfs/dbraw/zinc/94/82/42/554948242.db2.gz GBGUHVTZMQIBIE-MRJHHRETSA-N -1 1 506.580 4.880 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102519449 554949376 /nfs/dbraw/zinc/94/93/76/554949376.db2.gz CEDGFQQBHCOCRA-SELCWUDQSA-N -1 1 516.934 4.666 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102519458 554949315 /nfs/dbraw/zinc/94/93/15/554949315.db2.gz CEDGFQQBHCOCRA-GHNGSUTGSA-N -1 1 516.934 4.666 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102521973 554949922 /nfs/dbraw/zinc/94/99/22/554949922.db2.gz CMWCBPNORLXNOD-WOOAAIBNSA-N -1 1 557.422 4.944 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000102521980 554949891 /nfs/dbraw/zinc/94/98/91/554949891.db2.gz CMWCBPNORLXNOD-LFVOPCPISA-N -1 1 557.422 4.944 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000102523720 554950437 /nfs/dbraw/zinc/95/04/37/554950437.db2.gz LBMORPBRBXLCDR-SELCWUDQSA-N -1 1 516.934 4.666 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000102523728 554950453 /nfs/dbraw/zinc/95/04/53/554950453.db2.gz LBMORPBRBXLCDR-GHNGSUTGSA-N -1 1 516.934 4.666 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102523994 554950655 /nfs/dbraw/zinc/95/06/55/554950655.db2.gz UQUAHUIDPLHGNW-JBCNATCCSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000102524002 554950660 /nfs/dbraw/zinc/95/06/60/554950660.db2.gz UQUAHUIDPLHGNW-MRJHHRETSA-N -1 1 552.605 4.589 50 30 KJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102524372 554951200 /nfs/dbraw/zinc/95/12/00/554951200.db2.gz XEPCQDLOWQXFNG-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102524372 554951198 /nfs/dbraw/zinc/95/11/98/554951198.db2.gz XEPCQDLOWQXFNG-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102524381 554951125 /nfs/dbraw/zinc/95/11/25/554951125.db2.gz XEPCQDLOWQXFNG-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102524381 554951123 /nfs/dbraw/zinc/95/11/23/554951123.db2.gz XEPCQDLOWQXFNG-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)nc1C ZINC000102526601 554952210 /nfs/dbraw/zinc/95/22/10/554952210.db2.gz HCKIFCFIBXIAGZ-LFVOPCPISA-N -1 1 512.971 4.917 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)nc1C ZINC000102526607 554952224 /nfs/dbraw/zinc/95/22/24/554952224.db2.gz HCKIFCFIBXIAGZ-WOOAAIBNSA-N -1 1 512.971 4.917 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000102527495 554952835 /nfs/dbraw/zinc/95/28/35/554952835.db2.gz OGPACRMKZKZWFX-HOGKFDNTSA-N -1 1 532.387 4.533 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000102527500 554952823 /nfs/dbraw/zinc/95/28/23/554952823.db2.gz OGPACRMKZKZWFX-MOBKVPTQSA-N -1 1 532.387 4.533 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102528235 554952759 /nfs/dbraw/zinc/95/27/59/554952759.db2.gz XNBWFNVGCOODJB-WOOAAIBNSA-N -1 1 512.971 4.835 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102528243 554953081 /nfs/dbraw/zinc/95/30/81/554953081.db2.gz XNBWFNVGCOODJB-LFVOPCPISA-N -1 1 512.971 4.835 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102528921 554953022 /nfs/dbraw/zinc/95/30/22/554953022.db2.gz HJEVSUSFWYTCGX-MRJHHRETSA-N -1 1 505.483 4.979 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102528928 554953158 /nfs/dbraw/zinc/95/31/58/554953158.db2.gz HJEVSUSFWYTCGX-JBCNATCCSA-N -1 1 505.483 4.979 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102529560 554953496 /nfs/dbraw/zinc/95/34/96/554953496.db2.gz WBEXCRYFIUJGDD-WOOAAIBNSA-N -1 1 557.422 4.944 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102529571 554953406 /nfs/dbraw/zinc/95/34/06/554953406.db2.gz WBEXCRYFIUJGDD-LFVOPCPISA-N -1 1 557.422 4.944 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000102532651 554954438 /nfs/dbraw/zinc/95/44/38/554954438.db2.gz DJHZQUHNFXQNFB-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000102532651 554954436 /nfs/dbraw/zinc/95/44/36/554954436.db2.gz DJHZQUHNFXQNFB-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000102532656 554954396 /nfs/dbraw/zinc/95/43/96/554954396.db2.gz DJHZQUHNFXQNFB-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000102532656 554954394 /nfs/dbraw/zinc/95/43/94/554954394.db2.gz DJHZQUHNFXQNFB-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102536874 554955954 /nfs/dbraw/zinc/95/59/54/554955954.db2.gz GENQBZICDMCHGJ-MRJHHRETSA-N -1 1 505.483 4.979 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102536883 554955923 /nfs/dbraw/zinc/95/59/23/554955923.db2.gz GENQBZICDMCHGJ-JBCNATCCSA-N -1 1 505.483 4.979 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102538174 554956215 /nfs/dbraw/zinc/95/62/15/554956215.db2.gz KCYVFXGCBFHELF-MOBKVPTQSA-N -1 1 517.519 4.848 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102538184 554956360 /nfs/dbraw/zinc/95/63/60/554956360.db2.gz KCYVFXGCBFHELF-HOGKFDNTSA-N -1 1 517.519 4.848 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102543286 554958161 /nfs/dbraw/zinc/95/81/61/554958161.db2.gz MLVMVNQMTUOWME-MRJHHRETSA-N -1 1 551.577 4.868 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102543292 554958177 /nfs/dbraw/zinc/95/81/77/554958177.db2.gz MLVMVNQMTUOWME-JBCNATCCSA-N -1 1 551.577 4.868 50 30 KJEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102549612 554961078 /nfs/dbraw/zinc/96/10/78/554961078.db2.gz RSJCONJNCJYWBW-JVZIKCOHSA-N -1 1 534.590 4.587 50 30 KJEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102549612 554961077 /nfs/dbraw/zinc/96/10/77/554961077.db2.gz RSJCONJNCJYWBW-JVZIKCOHSA-N -1 1 534.590 4.587 50 30 KJEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102549618 554961047 /nfs/dbraw/zinc/96/10/47/554961047.db2.gz RSJCONJNCJYWBW-CTVAMRBASA-N -1 1 534.590 4.587 50 30 KJEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102549618 554961045 /nfs/dbraw/zinc/96/10/45/554961045.db2.gz RSJCONJNCJYWBW-CTVAMRBASA-N -1 1 534.590 4.587 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102553718 554963518 /nfs/dbraw/zinc/96/35/18/554963518.db2.gz NSOLARVRPSXNKF-NPJIAGGLSA-N -1 1 572.595 4.879 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102553728 554963500 /nfs/dbraw/zinc/96/35/00/554963500.db2.gz NSOLARVRPSXNKF-IUKMQXEJSA-N -1 1 572.595 4.879 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102555807 554964327 /nfs/dbraw/zinc/96/43/27/554964327.db2.gz OCPQHIXBMCWAGH-MJIMAAISSA-N -1 1 524.982 4.841 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102555815 554964361 /nfs/dbraw/zinc/96/43/61/554964361.db2.gz OCPQHIXBMCWAGH-RTDSZZKTSA-N -1 1 524.982 4.841 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1ccc(O)cc1 ZINC000102557315 554965296 /nfs/dbraw/zinc/96/52/96/554965296.db2.gz PWHBSHYVLYCBHV-WOOAAIBNSA-N -1 1 509.540 4.894 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccc(O)cc1 ZINC000102557323 554965315 /nfs/dbraw/zinc/96/53/15/554965315.db2.gz PWHBSHYVLYCBHV-LFVOPCPISA-N -1 1 509.540 4.894 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccnc2)o1 ZINC000102557938 554965671 /nfs/dbraw/zinc/96/56/71/554965671.db2.gz QUFJSXFFILVRFY-WOOAAIBNSA-N -1 1 508.556 4.892 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccnc2)o1 ZINC000102557948 554965553 /nfs/dbraw/zinc/96/55/53/554965553.db2.gz QUFJSXFFILVRFY-LFVOPCPISA-N -1 1 508.556 4.892 50 30 KJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102558483 554965916 /nfs/dbraw/zinc/96/59/16/554965916.db2.gz RDTJQVWLJUGXQQ-ZHHPLPSFSA-N -1 1 564.616 4.815 50 30 KJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102558488 554965804 /nfs/dbraw/zinc/96/58/04/554965804.db2.gz RDTJQVWLJUGXQQ-AYWGPLOBSA-N -1 1 564.616 4.815 50 30 KJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102559547 554967228 /nfs/dbraw/zinc/96/72/28/554967228.db2.gz UBUVTNFAJYNKTN-ZHHPLPSFSA-N -1 1 529.530 4.910 50 30 KJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102559552 554967125 /nfs/dbraw/zinc/96/71/25/554967125.db2.gz UBUVTNFAJYNKTN-AYWGPLOBSA-N -1 1 529.530 4.910 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102563364 554968814 /nfs/dbraw/zinc/96/88/14/554968814.db2.gz WLTDYWLFXFAPIV-SBXHHDGASA-N -1 1 530.558 4.798 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102563364 554968811 /nfs/dbraw/zinc/96/88/11/554968811.db2.gz WLTDYWLFXFAPIV-SBXHHDGASA-N -1 1 530.558 4.798 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102563371 554968921 /nfs/dbraw/zinc/96/89/21/554968921.db2.gz WLTDYWLFXFAPIV-NXLSWJSLSA-N -1 1 530.558 4.798 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102563371 554968918 /nfs/dbraw/zinc/96/89/18/554968918.db2.gz WLTDYWLFXFAPIV-NXLSWJSLSA-N -1 1 530.558 4.798 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Br)c2)s1 ZINC000102568777 554970092 /nfs/dbraw/zinc/97/00/92/554970092.db2.gz AIDJJXUMZQCOKR-LDQGIYSBSA-N -1 1 512.385 4.559 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Br)c2)s1 ZINC000102568786 554970056 /nfs/dbraw/zinc/97/00/56/554970056.db2.gz AIDJJXUMZQCOKR-CUJAVGSNSA-N -1 1 512.385 4.559 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000102570320 554970339 /nfs/dbraw/zinc/97/03/39/554970339.db2.gz VUDSEYZKFVVDLT-SBXHHDGASA-N -1 1 506.942 4.942 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000102570326 554970330 /nfs/dbraw/zinc/97/03/30/554970330.db2.gz VUDSEYZKFVVDLT-NXLSWJSLSA-N -1 1 506.942 4.942 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Br)cc2)s1 ZINC000102572277 554971067 /nfs/dbraw/zinc/97/10/67/554971067.db2.gz AHAXQCPLSJNHHP-LDQGIYSBSA-N -1 1 512.385 4.559 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Br)cc2)s1 ZINC000102572285 554970989 /nfs/dbraw/zinc/97/09/89/554970989.db2.gz AHAXQCPLSJNHHP-CUJAVGSNSA-N -1 1 512.385 4.559 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102580011 554972276 /nfs/dbraw/zinc/97/22/76/554972276.db2.gz IJPBWUUMMGVXJK-SELCWUDQSA-N -1 1 504.351 4.551 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102580017 554972156 /nfs/dbraw/zinc/97/21/56/554972156.db2.gz IJPBWUUMMGVXJK-GHNGSUTGSA-N -1 1 504.351 4.551 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102584774 554973052 /nfs/dbraw/zinc/97/30/52/554973052.db2.gz IZCCMLPLOAGQCG-FSISNWKMSA-N -1 1 514.559 4.960 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102584781 554973069 /nfs/dbraw/zinc/97/30/69/554973069.db2.gz IZCCMLPLOAGQCG-GMBUILNLSA-N -1 1 514.559 4.960 50 30 KJEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102585371 554973308 /nfs/dbraw/zinc/97/33/08/554973308.db2.gz KGCICHMIPZDVKM-YDJIHCHBSA-N -1 1 510.955 4.705 50 30 KJEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102585377 554973288 /nfs/dbraw/zinc/97/32/88/554973288.db2.gz KGCICHMIPZDVKM-NHFXJNLRSA-N -1 1 510.955 4.705 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102592846 554974465 /nfs/dbraw/zinc/97/44/65/554974465.db2.gz NYIYQMFJOCCTDQ-CJJGVWJISA-N -1 1 571.611 4.832 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102592853 554974433 /nfs/dbraw/zinc/97/44/33/554974433.db2.gz NYIYQMFJOCCTDQ-CZNAVJSXSA-N -1 1 571.611 4.832 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000102592959 554974410 /nfs/dbraw/zinc/97/44/10/554974410.db2.gz HWGDULCSNVYSQS-VWLOTQADSA-N -1 1 621.649 4.993 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000102592962 554974474 /nfs/dbraw/zinc/97/44/74/554974474.db2.gz HWGDULCSNVYSQS-RUZDIDTESA-N -1 1 621.649 4.993 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102593709 554974915 /nfs/dbraw/zinc/97/49/15/554974915.db2.gz FEINZSOGBWXJLB-NPJIAGGLSA-N -1 1 541.585 4.823 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102593715 554974889 /nfs/dbraw/zinc/97/48/89/554974889.db2.gz FEINZSOGBWXJLB-IUKMQXEJSA-N -1 1 541.585 4.823 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000102594932 554975926 /nfs/dbraw/zinc/97/59/26/554975926.db2.gz PFGDAYOTHCZSSE-ZHHPLPSFSA-N -1 1 559.625 4.934 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000102594936 554975877 /nfs/dbraw/zinc/97/58/77/554975877.db2.gz PFGDAYOTHCZSSE-AYWGPLOBSA-N -1 1 559.625 4.934 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102604621 554978457 /nfs/dbraw/zinc/97/84/57/554978457.db2.gz HNPFUMDOLRYYIX-MRJHHRETSA-N -1 1 524.327 4.777 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102604625 554978434 /nfs/dbraw/zinc/97/84/34/554978434.db2.gz HNPFUMDOLRYYIX-JBCNATCCSA-N -1 1 524.327 4.777 50 30 KJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102605712 554978476 /nfs/dbraw/zinc/97/84/76/554978476.db2.gz IXEHZTBIMRWBOA-ZHHPLPSFSA-N -1 1 534.590 4.840 50 30 KJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102605720 554978468 /nfs/dbraw/zinc/97/84/68/554978468.db2.gz IXEHZTBIMRWBOA-AYWGPLOBSA-N -1 1 534.590 4.840 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccnc1)c1ccc(F)cc1 ZINC000102608531 554980458 /nfs/dbraw/zinc/98/04/58/554980458.db2.gz MCKFVEGLOPDIMO-YDJIHCHBSA-N -1 1 504.568 4.991 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccnc1)c1ccc(F)cc1 ZINC000102608535 554980431 /nfs/dbraw/zinc/98/04/31/554980431.db2.gz MCKFVEGLOPDIMO-NHFXJNLRSA-N -1 1 504.568 4.991 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102611585 554981467 /nfs/dbraw/zinc/98/14/67/554981467.db2.gz KTLGXQSFLWBLNX-SBXHHDGASA-N -1 1 564.616 4.849 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102611592 554981452 /nfs/dbraw/zinc/98/14/52/554981452.db2.gz KTLGXQSFLWBLNX-NXLSWJSLSA-N -1 1 564.616 4.849 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102612374 554982063 /nfs/dbraw/zinc/98/20/63/554982063.db2.gz ZVQYVWQCLYUPSA-SBXHHDGASA-N -1 1 530.558 4.711 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102612374 554982061 /nfs/dbraw/zinc/98/20/61/554982061.db2.gz ZVQYVWQCLYUPSA-SBXHHDGASA-N -1 1 530.558 4.711 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102612382 554982074 /nfs/dbraw/zinc/98/20/74/554982074.db2.gz ZVQYVWQCLYUPSA-NXLSWJSLSA-N -1 1 530.558 4.711 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102612382 554982072 /nfs/dbraw/zinc/98/20/72/554982072.db2.gz ZVQYVWQCLYUPSA-NXLSWJSLSA-N -1 1 530.558 4.711 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102623635 554987713 /nfs/dbraw/zinc/98/77/13/554987713.db2.gz ZAVRANYWLLCGAE-ZHHPLPSFSA-N -1 1 545.529 4.611 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102623639 554987677 /nfs/dbraw/zinc/98/76/77/554987677.db2.gz ZAVRANYWLLCGAE-AYWGPLOBSA-N -1 1 545.529 4.611 50 30 KJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102628171 554988538 /nfs/dbraw/zinc/98/85/38/554988538.db2.gz DASLQKPTAPYKNC-NPJIAGGLSA-N -1 1 560.584 4.807 50 30 KJEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102628171 554988535 /nfs/dbraw/zinc/98/85/35/554988535.db2.gz DASLQKPTAPYKNC-NPJIAGGLSA-N -1 1 560.584 4.807 50 30 KJEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102628179 554988550 /nfs/dbraw/zinc/98/85/50/554988550.db2.gz DASLQKPTAPYKNC-IUKMQXEJSA-N -1 1 560.584 4.807 50 30 KJEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102628179 554988547 /nfs/dbraw/zinc/98/85/47/554988547.db2.gz DASLQKPTAPYKNC-IUKMQXEJSA-N -1 1 560.584 4.807 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000102650734 554995623 /nfs/dbraw/zinc/99/56/23/554995623.db2.gz IUMRIIKBMYOSGP-JBCNATCCSA-N -1 1 502.361 4.524 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000102650736 554995593 /nfs/dbraw/zinc/99/55/93/554995593.db2.gz IUMRIIKBMYOSGP-MRJHHRETSA-N -1 1 502.361 4.524 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102651716 554996160 /nfs/dbraw/zinc/99/61/60/554996160.db2.gz WVLMWDGPORKKOP-NPJIAGGLSA-N -1 1 560.584 4.720 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102651716 554996156 /nfs/dbraw/zinc/99/61/56/554996156.db2.gz WVLMWDGPORKKOP-NPJIAGGLSA-N -1 1 560.584 4.720 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102651721 554996224 /nfs/dbraw/zinc/99/62/24/554996224.db2.gz WVLMWDGPORKKOP-IUKMQXEJSA-N -1 1 560.584 4.720 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102651721 554996222 /nfs/dbraw/zinc/99/62/22/554996222.db2.gz WVLMWDGPORKKOP-IUKMQXEJSA-N -1 1 560.584 4.720 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000102652073 554996605 /nfs/dbraw/zinc/99/66/05/554996605.db2.gz TVUIKRWTXCMPJS-ZHHPLPSFSA-N -1 1 500.532 4.702 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000102652073 554996604 /nfs/dbraw/zinc/99/66/04/554996604.db2.gz TVUIKRWTXCMPJS-ZHHPLPSFSA-N -1 1 500.532 4.702 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000102652074 554996589 /nfs/dbraw/zinc/99/65/89/554996589.db2.gz TVUIKRWTXCMPJS-AYWGPLOBSA-N -1 1 500.532 4.702 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000102652074 554996587 /nfs/dbraw/zinc/99/65/87/554996587.db2.gz TVUIKRWTXCMPJS-AYWGPLOBSA-N -1 1 500.532 4.702 50 30 KJEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652361 554996506 /nfs/dbraw/zinc/99/65/06/554996506.db2.gz RSJCONJNCJYWBW-PMLJWHLSSA-N -1 1 534.590 4.587 50 30 KJEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652361 554996504 /nfs/dbraw/zinc/99/65/04/554996504.db2.gz RSJCONJNCJYWBW-PMLJWHLSSA-N -1 1 534.590 4.587 50 30 KJEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652363 554996527 /nfs/dbraw/zinc/99/65/27/554996527.db2.gz RSJCONJNCJYWBW-SJKYFALESA-N -1 1 534.590 4.587 50 30 KJEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652363 554996525 /nfs/dbraw/zinc/99/65/25/554996525.db2.gz RSJCONJNCJYWBW-SJKYFALESA-N -1 1 534.590 4.587 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102653853 554997421 /nfs/dbraw/zinc/99/74/21/554997421.db2.gz OCPQHIXBMCWAGH-XKACAACRSA-N -1 1 524.982 4.841 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102653856 554997390 /nfs/dbraw/zinc/99/73/90/554997390.db2.gz OCPQHIXBMCWAGH-UHABRVIFSA-N -1 1 524.982 4.841 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102655690 554998398 /nfs/dbraw/zinc/99/83/98/554998398.db2.gz APJPTPDMVZNCOY-ZHHPLPSFSA-N -1 1 545.529 4.611 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102655692 554998251 /nfs/dbraw/zinc/99/82/51/554998251.db2.gz APJPTPDMVZNCOY-AYWGPLOBSA-N -1 1 545.529 4.611 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000102657086 554999241 /nfs/dbraw/zinc/99/92/41/554999241.db2.gz ACZZESVUOUZRCO-ZHHPLPSFSA-N -1 1 518.522 4.842 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102657091 554999304 /nfs/dbraw/zinc/99/93/04/554999304.db2.gz ACZZESVUOUZRCO-AYWGPLOBSA-N -1 1 518.522 4.842 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Br)c2)s1 ZINC000102657514 554999577 /nfs/dbraw/zinc/99/95/77/554999577.db2.gz AIDJJXUMZQCOKR-MPQPQKAGSA-N -1 1 512.385 4.559 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Br)c2)s1 ZINC000102657518 554999621 /nfs/dbraw/zinc/99/96/21/554999621.db2.gz AIDJJXUMZQCOKR-ZVRPETLXSA-N -1 1 512.385 4.559 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Br)cc2)s1 ZINC000102659082 554999747 /nfs/dbraw/zinc/99/97/47/554999747.db2.gz AHAXQCPLSJNHHP-MPQPQKAGSA-N -1 1 512.385 4.559 50 30 KJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Br)cc2)s1 ZINC000102659084 554999713 /nfs/dbraw/zinc/99/97/13/554999713.db2.gz AHAXQCPLSJNHHP-ZVRPETLXSA-N -1 1 512.385 4.559 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102664070 555001175 /nfs/dbraw/zinc/00/11/75/555001175.db2.gz IZCCMLPLOAGQCG-WGQAXHKASA-N -1 1 514.559 4.960 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102664072 555001075 /nfs/dbraw/zinc/00/10/75/555001075.db2.gz IZCCMLPLOAGQCG-KNZGKXHUSA-N -1 1 514.559 4.960 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102667167 555001732 /nfs/dbraw/zinc/00/17/32/555001732.db2.gz SYZOCFFMIKXFHN-ZHHPLPSFSA-N -1 1 518.522 4.842 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102667170 555001622 /nfs/dbraw/zinc/00/16/22/555001622.db2.gz SYZOCFFMIKXFHN-AYWGPLOBSA-N -1 1 518.522 4.842 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102667264 555001920 /nfs/dbraw/zinc/00/19/20/555001920.db2.gz RNBWMJSUMSEWHO-SBXHHDGASA-N -1 1 530.558 4.711 50 30 KJEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102667264 555001918 /nfs/dbraw/zinc/00/19/18/555001918.db2.gz RNBWMJSUMSEWHO-SBXHHDGASA-N -1 1 530.558 4.711 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102667267 555002015 /nfs/dbraw/zinc/00/20/15/555002015.db2.gz RNBWMJSUMSEWHO-NXLSWJSLSA-N -1 1 530.558 4.711 50 30 KJEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102667267 555002012 /nfs/dbraw/zinc/00/20/12/555002012.db2.gz RNBWMJSUMSEWHO-NXLSWJSLSA-N -1 1 530.558 4.711 50 30 KJEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000102694867 555010078 /nfs/dbraw/zinc/01/00/78/555010078.db2.gz WOMSZRDLVHQVBU-ZHHPLPSFSA-N -1 1 502.548 4.954 50 30 KJEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000102694870 555010022 /nfs/dbraw/zinc/01/00/22/555010022.db2.gz WOMSZRDLVHQVBU-AYWGPLOBSA-N -1 1 502.548 4.954 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102695105 555010324 /nfs/dbraw/zinc/01/03/24/555010324.db2.gz YZPSBCMXZCFMRZ-SELCWUDQSA-N -1 1 543.395 4.636 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102695111 555010227 /nfs/dbraw/zinc/01/02/27/555010227.db2.gz YZPSBCMXZCFMRZ-GHNGSUTGSA-N -1 1 543.395 4.636 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102695989 555011149 /nfs/dbraw/zinc/01/11/49/555011149.db2.gz UXDRUKKBTZXSOW-JBCNATCCSA-N -1 1 506.580 4.996 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102695993 555011060 /nfs/dbraw/zinc/01/10/60/555011060.db2.gz UXDRUKKBTZXSOW-MRJHHRETSA-N -1 1 506.580 4.996 50 30 KJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102699058 555012382 /nfs/dbraw/zinc/01/23/82/555012382.db2.gz LVNGZVRYPAMHDT-JBCNATCCSA-N -1 1 522.579 4.662 50 30 KJEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102699065 555012471 /nfs/dbraw/zinc/01/24/71/555012471.db2.gz LVNGZVRYPAMHDT-MRJHHRETSA-N -1 1 522.579 4.662 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102715358 555018628 /nfs/dbraw/zinc/01/86/28/555018628.db2.gz NINZGFRDQLBRHN-SBXHHDGASA-N -1 1 500.507 4.788 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102715360 555018684 /nfs/dbraw/zinc/01/86/84/555018684.db2.gz NINZGFRDQLBRHN-NXLSWJSLSA-N -1 1 500.507 4.788 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000102716550 555018980 /nfs/dbraw/zinc/01/89/80/555018980.db2.gz BPQJZTOUGPYNSM-SELCWUDQSA-N -1 1 543.395 4.636 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102716552 555018784 /nfs/dbraw/zinc/01/87/84/555018784.db2.gz BPQJZTOUGPYNSM-GHNGSUTGSA-N -1 1 543.395 4.636 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(OC(C)C)cc2)nc1C ZINC000102734290 555024583 /nfs/dbraw/zinc/02/45/83/555024583.db2.gz RKUKPOULQGPOTR-JBCNATCCSA-N -1 1 522.579 4.660 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(OC(C)C)cc2)nc1C ZINC000102734292 555024569 /nfs/dbraw/zinc/02/45/69/555024569.db2.gz RKUKPOULQGPOTR-MRJHHRETSA-N -1 1 522.579 4.660 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000102786148 555067783 /nfs/dbraw/zinc/06/77/83/555067783.db2.gz NTHJGYVKPUDFOB-HXUWFJFHSA-N -1 1 571.976 4.913 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000102786154 555067766 /nfs/dbraw/zinc/06/77/66/555067766.db2.gz NTHJGYVKPUDFOB-FQEVSTJZSA-N -1 1 571.976 4.913 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000102799007 555072240 /nfs/dbraw/zinc/07/22/40/555072240.db2.gz ZLVSPPOHMSUCNX-SELCWUDQSA-N -1 1 501.358 4.549 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000102799010 555072058 /nfs/dbraw/zinc/07/20/58/555072058.db2.gz ZLVSPPOHMSUCNX-GHNGSUTGSA-N -1 1 501.358 4.549 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)c(C)c2)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000102799632 555072470 /nfs/dbraw/zinc/07/24/70/555072470.db2.gz UAKDIOZYNLPQNO-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(=C([O-])c2ccc(OC)c(C)c2)C(=O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000102799632 555072468 /nfs/dbraw/zinc/07/24/68/555072468.db2.gz UAKDIOZYNLPQNO-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)c(C)c2)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000102799636 555072356 /nfs/dbraw/zinc/07/23/56/555072356.db2.gz UAKDIOZYNLPQNO-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccccc1[C@H]1C(=C([O-])c2ccc(OC)c(C)c2)C(=O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000102799636 555072354 /nfs/dbraw/zinc/07/23/54/555072354.db2.gz UAKDIOZYNLPQNO-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102820425 555076612 /nfs/dbraw/zinc/07/66/12/555076612.db2.gz GRDVSDCTSSVILB-GHNGSUTGSA-N -1 1 500.374 4.634 50 30 KJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102820428 555076836 /nfs/dbraw/zinc/07/68/36/555076836.db2.gz GRDVSDCTSSVILB-SELCWUDQSA-N -1 1 500.374 4.634 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000102856819 555088242 /nfs/dbraw/zinc/08/82/42/555088242.db2.gz WCMXSCADGLYEJJ-HOGKFDNTSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000102856819 555088241 /nfs/dbraw/zinc/08/82/41/555088241.db2.gz WCMXSCADGLYEJJ-HOGKFDNTSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000102856823 555088265 /nfs/dbraw/zinc/08/82/65/555088265.db2.gz WCMXSCADGLYEJJ-MOBKVPTQSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000102856823 555088263 /nfs/dbraw/zinc/08/82/63/555088263.db2.gz WCMXSCADGLYEJJ-MOBKVPTQSA-N -1 1 536.606 4.970 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102857387 555088490 /nfs/dbraw/zinc/08/84/90/555088490.db2.gz VIFDUZGCBWRRRP-HOGKFDNTSA-N -1 1 502.548 4.948 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102857389 555088528 /nfs/dbraw/zinc/08/85/28/555088528.db2.gz VIFDUZGCBWRRRP-MOBKVPTQSA-N -1 1 502.548 4.948 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102857898 555089166 /nfs/dbraw/zinc/08/91/66/555089166.db2.gz HPUROXKCOHGSHJ-ZHHPLPSFSA-N -1 1 502.548 4.948 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102857900 555089126 /nfs/dbraw/zinc/08/91/26/555089126.db2.gz HPUROXKCOHGSHJ-AYWGPLOBSA-N -1 1 502.548 4.948 50 30 KJEAMM Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000102858660 555089443 /nfs/dbraw/zinc/08/94/43/555089443.db2.gz IAYXHLYCDWHQDF-YDJIHCHBSA-N -1 1 510.618 4.696 50 30 KJEAMM Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000102858665 555089447 /nfs/dbraw/zinc/08/94/47/555089447.db2.gz IAYXHLYCDWHQDF-NHFXJNLRSA-N -1 1 510.618 4.696 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102858826 555089374 /nfs/dbraw/zinc/08/93/74/555089374.db2.gz DBHZVICHQZXVPF-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102858826 555089371 /nfs/dbraw/zinc/08/93/71/555089371.db2.gz DBHZVICHQZXVPF-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102858827 555089415 /nfs/dbraw/zinc/08/94/15/555089415.db2.gz DBHZVICHQZXVPF-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102858827 555089412 /nfs/dbraw/zinc/08/94/12/555089412.db2.gz DBHZVICHQZXVPF-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102860680 555090919 /nfs/dbraw/zinc/09/09/19/555090919.db2.gz SRVUSSNAAWNVHN-YDJIHCHBSA-N -1 1 542.997 4.925 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102860684 555090832 /nfs/dbraw/zinc/09/08/32/555090832.db2.gz SRVUSSNAAWNVHN-NHFXJNLRSA-N -1 1 542.997 4.925 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000102860804 555091333 /nfs/dbraw/zinc/09/13/33/555091333.db2.gz CSEIXWKQANXPEM-HOGKFDNTSA-N -1 1 582.631 4.597 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000102860809 555091211 /nfs/dbraw/zinc/09/12/11/555091211.db2.gz CSEIXWKQANXPEM-MOBKVPTQSA-N -1 1 582.631 4.597 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102861117 555091272 /nfs/dbraw/zinc/09/12/72/555091272.db2.gz RXSGQFJMKMRRBX-JBCNATCCSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000102861120 555091246 /nfs/dbraw/zinc/09/12/46/555091246.db2.gz RXSGQFJMKMRRBX-MRJHHRETSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102862850 555092606 /nfs/dbraw/zinc/09/26/06/555092606.db2.gz CHUOGDDZKSDFCH-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102862854 555092572 /nfs/dbraw/zinc/09/25/72/555092572.db2.gz CHUOGDDZKSDFCH-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000102862984 555092938 /nfs/dbraw/zinc/09/29/38/555092938.db2.gz FBLIBZBFAUVKBN-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000102862987 555092896 /nfs/dbraw/zinc/09/28/96/555092896.db2.gz FBLIBZBFAUVKBN-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102864413 555094241 /nfs/dbraw/zinc/09/42/41/555094241.db2.gz XKKRKYWPWWIMRL-AYWGPLOBSA-N -1 1 502.548 4.948 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102864416 555094187 /nfs/dbraw/zinc/09/41/87/555094187.db2.gz XKKRKYWPWWIMRL-ZHHPLPSFSA-N -1 1 502.548 4.948 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000102864430 555094165 /nfs/dbraw/zinc/09/41/65/555094165.db2.gz DUOVLZZVFPSDAP-HOGKFDNTSA-N -1 1 582.631 4.597 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000102864431 555094171 /nfs/dbraw/zinc/09/41/71/555094171.db2.gz DUOVLZZVFPSDAP-MOBKVPTQSA-N -1 1 582.631 4.597 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102866498 555095826 /nfs/dbraw/zinc/09/58/26/555095826.db2.gz GIGZYRNOQBZVQH-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102866498 555095823 /nfs/dbraw/zinc/09/58/23/555095823.db2.gz GIGZYRNOQBZVQH-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102866500 555095732 /nfs/dbraw/zinc/09/57/32/555095732.db2.gz GIGZYRNOQBZVQH-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102866500 555095730 /nfs/dbraw/zinc/09/57/30/555095730.db2.gz GIGZYRNOQBZVQH-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102866920 555096313 /nfs/dbraw/zinc/09/63/13/555096313.db2.gz HIZVPRMCCAUUGQ-YDJIHCHBSA-N -1 1 540.981 4.679 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102866925 555096441 /nfs/dbraw/zinc/09/64/41/555096441.db2.gz HIZVPRMCCAUUGQ-NHFXJNLRSA-N -1 1 540.981 4.679 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccncc2)o1 ZINC000102866983 555096306 /nfs/dbraw/zinc/09/63/06/555096306.db2.gz PBQXGRKUSKOBPP-WOOAAIBNSA-N -1 1 508.556 4.892 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccncc2)o1 ZINC000102866986 555096373 /nfs/dbraw/zinc/09/63/73/555096373.db2.gz PBQXGRKUSKOBPP-LFVOPCPISA-N -1 1 508.556 4.892 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccc(O)cc1 ZINC000102867900 555097372 /nfs/dbraw/zinc/09/73/72/555097372.db2.gz APGLGPMUBFLIFA-LFVOPCPISA-N -1 1 509.540 4.894 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccc(O)cc1 ZINC000102867904 555097329 /nfs/dbraw/zinc/09/73/29/555097329.db2.gz APGLGPMUBFLIFA-WOOAAIBNSA-N -1 1 509.540 4.894 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccncc2)o1 ZINC000102869781 555099511 /nfs/dbraw/zinc/09/95/11/555099511.db2.gz ZBLYUMIXXYDCTL-WOOAAIBNSA-N -1 1 508.556 4.892 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccncc2)o1 ZINC000102869785 555099460 /nfs/dbraw/zinc/09/94/60/555099460.db2.gz ZBLYUMIXXYDCTL-LFVOPCPISA-N -1 1 508.556 4.892 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102870519 555100671 /nfs/dbraw/zinc/10/06/71/555100671.db2.gz XEFUKXMIHGBPKC-NPJIAGGLSA-N -1 1 590.610 4.728 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102870523 555100758 /nfs/dbraw/zinc/10/07/58/555100758.db2.gz XEFUKXMIHGBPKC-IUKMQXEJSA-N -1 1 590.610 4.728 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000102872305 555102954 /nfs/dbraw/zinc/10/29/54/555102954.db2.gz WIZOBRYFDJZNLL-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000102872308 555102967 /nfs/dbraw/zinc/10/29/67/555102967.db2.gz WIZOBRYFDJZNLL-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2F)nc1C ZINC000102872372 555102850 /nfs/dbraw/zinc/10/28/50/555102850.db2.gz JDDQDJHCRBKDTF-SELCWUDQSA-N -1 1 516.934 4.666 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2F)nc1C ZINC000102872375 555102907 /nfs/dbraw/zinc/10/29/07/555102907.db2.gz JDDQDJHCRBKDTF-GHNGSUTGSA-N -1 1 516.934 4.666 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873487 555104013 /nfs/dbraw/zinc/10/40/13/555104013.db2.gz RAHLQIBSVRVFCP-NXLSWJSLSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873487 555104012 /nfs/dbraw/zinc/10/40/12/555104012.db2.gz RAHLQIBSVRVFCP-NXLSWJSLSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873490 555104004 /nfs/dbraw/zinc/10/40/04/555104004.db2.gz RAHLQIBSVRVFCP-SBXHHDGASA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873490 555104002 /nfs/dbraw/zinc/10/40/02/555104002.db2.gz RAHLQIBSVRVFCP-SBXHHDGASA-N -1 1 532.574 4.957 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102876728 555106327 /nfs/dbraw/zinc/10/63/27/555106327.db2.gz MNKHMMVJUXBPKA-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102876731 555106235 /nfs/dbraw/zinc/10/62/35/555106235.db2.gz MNKHMMVJUXBPKA-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102877658 555106932 /nfs/dbraw/zinc/10/69/32/555106932.db2.gz QZECBDKASQVCTN-AYWGPLOBSA-N -1 1 502.548 4.948 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102877660 555106944 /nfs/dbraw/zinc/10/69/44/555106944.db2.gz QZECBDKASQVCTN-ZHHPLPSFSA-N -1 1 502.548 4.948 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000102878361 555107509 /nfs/dbraw/zinc/10/75/09/555107509.db2.gz FYBREPIPOGIOJI-YDJIHCHBSA-N -1 1 510.543 4.711 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000102878364 555107592 /nfs/dbraw/zinc/10/75/92/555107592.db2.gz FYBREPIPOGIOJI-NHFXJNLRSA-N -1 1 510.543 4.711 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102879357 555108815 /nfs/dbraw/zinc/10/88/15/555108815.db2.gz GOICJWRYDKHXOQ-ZHHPLPSFSA-N -1 1 502.548 4.948 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102879359 555108719 /nfs/dbraw/zinc/10/87/19/555108719.db2.gz GOICJWRYDKHXOQ-AYWGPLOBSA-N -1 1 502.548 4.948 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102879437 555108708 /nfs/dbraw/zinc/10/87/08/555108708.db2.gz CWGSEAXRAMUGOQ-HOGKFDNTSA-N -1 1 506.536 4.932 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102879439 555108688 /nfs/dbraw/zinc/10/86/88/555108688.db2.gz CWGSEAXRAMUGOQ-MOBKVPTQSA-N -1 1 506.536 4.932 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881511 555110230 /nfs/dbraw/zinc/11/02/30/555110230.db2.gz KMIVXPAAWZQEBF-ZHHPLPSFSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881511 555110228 /nfs/dbraw/zinc/11/02/28/555110228.db2.gz KMIVXPAAWZQEBF-ZHHPLPSFSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881514 555110171 /nfs/dbraw/zinc/11/01/71/555110171.db2.gz KMIVXPAAWZQEBF-AYWGPLOBSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881514 555110170 /nfs/dbraw/zinc/11/01/70/555110170.db2.gz KMIVXPAAWZQEBF-AYWGPLOBSA-N -1 1 532.574 4.957 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102881769 555110107 /nfs/dbraw/zinc/11/01/07/555110107.db2.gz FXNDSJXMJYRTDI-JBCNATCCSA-N -1 1 506.486 4.987 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102881771 555110468 /nfs/dbraw/zinc/11/04/68/555110468.db2.gz FXNDSJXMJYRTDI-MRJHHRETSA-N -1 1 506.486 4.987 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000102882057 555110450 /nfs/dbraw/zinc/11/04/50/555110450.db2.gz KBTLOTPNNFSUNS-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000102882057 555110449 /nfs/dbraw/zinc/11/04/49/555110449.db2.gz KBTLOTPNNFSUNS-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000102882063 555110484 /nfs/dbraw/zinc/11/04/84/555110484.db2.gz KBTLOTPNNFSUNS-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000102882063 555110482 /nfs/dbraw/zinc/11/04/82/555110482.db2.gz KBTLOTPNNFSUNS-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102882574 555110777 /nfs/dbraw/zinc/11/07/77/555110777.db2.gz KYDWHRVOYPUYNM-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102882574 555110776 /nfs/dbraw/zinc/11/07/76/555110776.db2.gz KYDWHRVOYPUYNM-MRJHHRETSA-N -1 1 506.580 4.962 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102882577 555110730 /nfs/dbraw/zinc/11/07/30/555110730.db2.gz KYDWHRVOYPUYNM-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102882577 555110728 /nfs/dbraw/zinc/11/07/28/555110728.db2.gz KYDWHRVOYPUYNM-JBCNATCCSA-N -1 1 506.580 4.962 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102882708 555111132 /nfs/dbraw/zinc/11/11/32/555111132.db2.gz DBHBZCGBFRFTHO-AYWGPLOBSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102882708 555111130 /nfs/dbraw/zinc/11/11/30/555111130.db2.gz DBHBZCGBFRFTHO-AYWGPLOBSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102882710 555111054 /nfs/dbraw/zinc/11/10/54/555111054.db2.gz DBHBZCGBFRFTHO-ZHHPLPSFSA-N -1 1 532.574 4.957 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102882710 555111052 /nfs/dbraw/zinc/11/10/52/555111052.db2.gz DBHBZCGBFRFTHO-ZHHPLPSFSA-N -1 1 532.574 4.957 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102882937 555111340 /nfs/dbraw/zinc/11/13/40/555111340.db2.gz DHDCLJPNEYSYSR-MRJHHRETSA-N -1 1 522.579 4.662 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102882939 555111334 /nfs/dbraw/zinc/11/13/34/555111334.db2.gz DHDCLJPNEYSYSR-JBCNATCCSA-N -1 1 522.579 4.662 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102883144 555111290 /nfs/dbraw/zinc/11/12/90/555111290.db2.gz LXCDNPYTTOPJOZ-JBCNATCCSA-N -1 1 506.536 4.850 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102883146 555111653 /nfs/dbraw/zinc/11/16/53/555111653.db2.gz LXCDNPYTTOPJOZ-MRJHHRETSA-N -1 1 506.536 4.850 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102883247 555111726 /nfs/dbraw/zinc/11/17/26/555111726.db2.gz IHRMJQWFQDZYTK-ZHHPLPSFSA-N -1 1 502.548 4.948 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102883249 555111692 /nfs/dbraw/zinc/11/16/92/555111692.db2.gz IHRMJQWFQDZYTK-AYWGPLOBSA-N -1 1 502.548 4.948 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000102883340 555111636 /nfs/dbraw/zinc/11/16/36/555111636.db2.gz BGRVCMSFCUOVLY-ZHHPLPSFSA-N -1 1 566.632 4.979 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000102883342 555111681 /nfs/dbraw/zinc/11/16/81/555111681.db2.gz BGRVCMSFCUOVLY-AYWGPLOBSA-N -1 1 566.632 4.979 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000102884486 555113407 /nfs/dbraw/zinc/11/34/07/555113407.db2.gz PFWOFCMSXLLMRK-SBXHHDGASA-N -1 1 576.627 4.981 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000102884487 555113487 /nfs/dbraw/zinc/11/34/87/555113487.db2.gz PFWOFCMSXLLMRK-NXLSWJSLSA-N -1 1 576.627 4.981 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102885237 555115166 /nfs/dbraw/zinc/11/51/66/555115166.db2.gz LGVDOUPDQMEYAB-NPJIAGGLSA-N -1 1 560.584 4.807 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102885240 555115154 /nfs/dbraw/zinc/11/51/54/555115154.db2.gz LGVDOUPDQMEYAB-IUKMQXEJSA-N -1 1 560.584 4.807 50 30 KJEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102885875 555116035 /nfs/dbraw/zinc/11/60/35/555116035.db2.gz YHDCKGDQFYSORQ-ZHHPLPSFSA-N -1 1 564.616 4.815 50 30 KJEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102885878 555116143 /nfs/dbraw/zinc/11/61/43/555116143.db2.gz YHDCKGDQFYSORQ-AYWGPLOBSA-N -1 1 564.616 4.815 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102887611 555119589 /nfs/dbraw/zinc/11/95/89/555119589.db2.gz XYNGHYOMMARCMW-SBXHHDGASA-N -1 1 542.569 4.789 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102887611 555119587 /nfs/dbraw/zinc/11/95/87/555119587.db2.gz XYNGHYOMMARCMW-SBXHHDGASA-N -1 1 542.569 4.789 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102887616 555119569 /nfs/dbraw/zinc/11/95/69/555119569.db2.gz XYNGHYOMMARCMW-NXLSWJSLSA-N -1 1 542.569 4.789 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102887616 555119568 /nfs/dbraw/zinc/11/95/68/555119568.db2.gz XYNGHYOMMARCMW-NXLSWJSLSA-N -1 1 542.569 4.789 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000102888012 555120527 /nfs/dbraw/zinc/12/05/27/555120527.db2.gz VDBCOFHDEKPGFC-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000102888015 555120520 /nfs/dbraw/zinc/12/05/20/555120520.db2.gz VDBCOFHDEKPGFC-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000102888315 555121509 /nfs/dbraw/zinc/12/15/09/555121509.db2.gz KIRIEIWXSOIZIP-MRJHHRETSA-N -1 1 543.370 4.875 50 30 KJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000102888316 555121557 /nfs/dbraw/zinc/12/15/57/555121557.db2.gz KIRIEIWXSOIZIP-JBCNATCCSA-N -1 1 543.370 4.875 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000102888840 555122399 /nfs/dbraw/zinc/12/23/99/555122399.db2.gz NANSRCXNNXDGST-HJFSGKHBSA-N -1 1 522.554 4.717 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000102888844 555122586 /nfs/dbraw/zinc/12/25/86/555122586.db2.gz NANSRCXNNXDGST-RQBWANKVSA-N -1 1 522.554 4.717 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000102888846 555122575 /nfs/dbraw/zinc/12/25/75/555122575.db2.gz NANSRCXNNXDGST-IWUDECAASA-N -1 1 522.554 4.717 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000102888847 555122446 /nfs/dbraw/zinc/12/24/46/555122446.db2.gz NANSRCXNNXDGST-CGOGNACUSA-N -1 1 522.554 4.717 50 30 KJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102888860 555122542 /nfs/dbraw/zinc/12/25/42/555122542.db2.gz VCFFQFQDCLUMRH-ZHHPLPSFSA-N -1 1 529.530 4.910 50 30 KJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102888861 555122460 /nfs/dbraw/zinc/12/24/60/555122460.db2.gz VCFFQFQDCLUMRH-AYWGPLOBSA-N -1 1 529.530 4.910 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1 ZINC000102889209 555123115 /nfs/dbraw/zinc/12/31/15/555123115.db2.gz UJJDWIUHFKVXDA-JBCNATCCSA-N -1 1 506.561 4.764 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1 ZINC000102889211 555123163 /nfs/dbraw/zinc/12/31/63/555123163.db2.gz UJJDWIUHFKVXDA-MRJHHRETSA-N -1 1 506.561 4.764 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102889301 555123498 /nfs/dbraw/zinc/12/34/98/555123498.db2.gz WZWOPJRERZTJQT-HOGKFDNTSA-N -1 1 552.605 4.676 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102889301 555123495 /nfs/dbraw/zinc/12/34/95/555123495.db2.gz WZWOPJRERZTJQT-HOGKFDNTSA-N -1 1 552.605 4.676 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102889303 555123568 /nfs/dbraw/zinc/12/35/68/555123568.db2.gz WZWOPJRERZTJQT-MOBKVPTQSA-N -1 1 552.605 4.676 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102889303 555123565 /nfs/dbraw/zinc/12/35/65/555123565.db2.gz WZWOPJRERZTJQT-MOBKVPTQSA-N -1 1 552.605 4.676 50 30 KJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890174 555125246 /nfs/dbraw/zinc/12/52/46/555125246.db2.gz VVRCXHGSQRVOMC-PNHZJWGWSA-N -1 1 548.617 4.977 50 30 KJEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890174 555125244 /nfs/dbraw/zinc/12/52/44/555125244.db2.gz VVRCXHGSQRVOMC-PNHZJWGWSA-N -1 1 548.617 4.977 50 30 KJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890176 555125295 /nfs/dbraw/zinc/12/52/95/555125295.db2.gz VVRCXHGSQRVOMC-JEFHYQBXSA-N -1 1 548.617 4.977 50 30 KJEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890176 555125293 /nfs/dbraw/zinc/12/52/93/555125293.db2.gz VVRCXHGSQRVOMC-JEFHYQBXSA-N -1 1 548.617 4.977 50 30 KJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890178 555125231 /nfs/dbraw/zinc/12/52/31/555125231.db2.gz VVRCXHGSQRVOMC-NMSSPVSYSA-N -1 1 548.617 4.977 50 30 KJEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890178 555125229 /nfs/dbraw/zinc/12/52/29/555125229.db2.gz VVRCXHGSQRVOMC-NMSSPVSYSA-N -1 1 548.617 4.977 50 30 KJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890179 555125305 /nfs/dbraw/zinc/12/53/05/555125305.db2.gz VVRCXHGSQRVOMC-BGJULJLKSA-N -1 1 548.617 4.977 50 30 KJEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890179 555125304 /nfs/dbraw/zinc/12/53/04/555125304.db2.gz VVRCXHGSQRVOMC-BGJULJLKSA-N -1 1 548.617 4.977 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccnc2)o1 ZINC000102890186 555125264 /nfs/dbraw/zinc/12/52/64/555125264.db2.gz NNTVYTNHRSJCFL-WOOAAIBNSA-N -1 1 508.556 4.892 50 30 KJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccnc2)o1 ZINC000102890187 555125315 /nfs/dbraw/zinc/12/53/15/555125315.db2.gz NNTVYTNHRSJCFL-LFVOPCPISA-N -1 1 508.556 4.892 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890310 555125212 /nfs/dbraw/zinc/12/52/12/555125212.db2.gz XIEFKCCMEKLTMM-LXIOPLLASA-N -1 1 544.585 4.969 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890310 555125210 /nfs/dbraw/zinc/12/52/10/555125210.db2.gz XIEFKCCMEKLTMM-LXIOPLLASA-N -1 1 544.585 4.969 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890311 555125649 /nfs/dbraw/zinc/12/56/49/555125649.db2.gz XIEFKCCMEKLTMM-FWOIGAHVSA-N -1 1 544.585 4.969 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890311 555125648 /nfs/dbraw/zinc/12/56/48/555125648.db2.gz XIEFKCCMEKLTMM-FWOIGAHVSA-N -1 1 544.585 4.969 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890312 555125646 /nfs/dbraw/zinc/12/56/46/555125646.db2.gz XIEFKCCMEKLTMM-JBODOUGHSA-N -1 1 544.585 4.969 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890312 555125645 /nfs/dbraw/zinc/12/56/45/555125645.db2.gz XIEFKCCMEKLTMM-JBODOUGHSA-N -1 1 544.585 4.969 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890313 555125638 /nfs/dbraw/zinc/12/56/38/555125638.db2.gz XIEFKCCMEKLTMM-ANCNPBKRSA-N -1 1 544.585 4.969 50 30 KJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890313 555125637 /nfs/dbraw/zinc/12/56/37/555125637.db2.gz XIEFKCCMEKLTMM-ANCNPBKRSA-N -1 1 544.585 4.969 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccnc1)c1ccccc1 ZINC000102890492 555125582 /nfs/dbraw/zinc/12/55/82/555125582.db2.gz MARHCTQCOBKAPI-NHFXJNLRSA-N -1 1 504.568 4.991 50 30 KJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccnc1)c1ccccc1 ZINC000102890493 555125909 /nfs/dbraw/zinc/12/59/09/555125909.db2.gz MARHCTQCOBKAPI-YDJIHCHBSA-N -1 1 504.568 4.991 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102890840 555126587 /nfs/dbraw/zinc/12/65/87/555126587.db2.gz HNZOETKTHIWVPN-HOGKFDNTSA-N -1 1 552.605 4.676 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102890840 555126585 /nfs/dbraw/zinc/12/65/85/555126585.db2.gz HNZOETKTHIWVPN-HOGKFDNTSA-N -1 1 552.605 4.676 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102890842 555126529 /nfs/dbraw/zinc/12/65/29/555126529.db2.gz HNZOETKTHIWVPN-MOBKVPTQSA-N -1 1 552.605 4.676 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102890842 555126527 /nfs/dbraw/zinc/12/65/27/555126527.db2.gz HNZOETKTHIWVPN-MOBKVPTQSA-N -1 1 552.605 4.676 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000102891207 555126875 /nfs/dbraw/zinc/12/68/75/555126875.db2.gz WYMUNLNKOFMEEW-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000102891209 555126814 /nfs/dbraw/zinc/12/68/14/555126814.db2.gz WYMUNLNKOFMEEW-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102891611 555127510 /nfs/dbraw/zinc/12/75/10/555127510.db2.gz XRVNVMZUQVLCPW-JVZIKCOHSA-N -1 1 534.590 4.587 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102891611 555127507 /nfs/dbraw/zinc/12/75/07/555127507.db2.gz 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CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000102891681 555127546 /nfs/dbraw/zinc/12/75/46/555127546.db2.gz DQDWZLSRDONDGH-JEFHYQBXSA-N -1 1 548.617 4.977 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000102891682 555127787 /nfs/dbraw/zinc/12/77/87/555127787.db2.gz DQDWZLSRDONDGH-NMSSPVSYSA-N -1 1 548.617 4.977 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000102891682 555127785 /nfs/dbraw/zinc/12/77/85/555127785.db2.gz DQDWZLSRDONDGH-NMSSPVSYSA-N -1 1 548.617 4.977 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000102891684 555127805 /nfs/dbraw/zinc/12/78/05/555127805.db2.gz DQDWZLSRDONDGH-BGJULJLKSA-N -1 1 548.617 4.977 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000102891684 555127803 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CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102895259 555134107 /nfs/dbraw/zinc/13/41/07/555134107.db2.gz GXPYGJROKWVKEJ-WRPQUVRJSA-N -1 1 578.643 4.985 50 30 KJEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102895259 555134104 /nfs/dbraw/zinc/13/41/04/555134104.db2.gz GXPYGJROKWVKEJ-WRPQUVRJSA-N -1 1 578.643 4.985 50 30 KJEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102895301 555133997 /nfs/dbraw/zinc/13/39/97/555133997.db2.gz MIXLQGARCOYAIS-HOGKFDNTSA-N -1 1 552.605 4.589 50 30 KJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102895303 555134165 /nfs/dbraw/zinc/13/41/65/555134165.db2.gz MIXLQGARCOYAIS-MOBKVPTQSA-N -1 1 552.605 4.589 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102896432 555136340 /nfs/dbraw/zinc/13/63/40/555136340.db2.gz 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ZINC000102924944 555149116 /nfs/dbraw/zinc/14/91/16/555149116.db2.gz NODCFKVXJGZSKJ-WOOAAIBNSA-N -1 1 512.971 4.835 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102924946 555149129 /nfs/dbraw/zinc/14/91/29/555149129.db2.gz NODCFKVXJGZSKJ-LFVOPCPISA-N -1 1 512.971 4.835 50 30 KJEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102925596 555149873 /nfs/dbraw/zinc/14/98/73/555149873.db2.gz BHBNBDYNFCUSRC-JBCNATCCSA-N -1 1 506.580 4.744 50 30 KJEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102925599 555149857 /nfs/dbraw/zinc/14/98/57/555149857.db2.gz BHBNBDYNFCUSRC-MRJHHRETSA-N -1 1 506.580 4.744 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102926462 555150926 /nfs/dbraw/zinc/15/09/26/555150926.db2.gz UQSRZVHFGMNOEK-IBOXJLQUSA-N -1 1 517.357 4.610 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102926464 555150841 /nfs/dbraw/zinc/15/08/41/555150841.db2.gz UQSRZVHFGMNOEK-UYTDBDHRSA-N -1 1 517.357 4.610 50 30 KJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102927521 555152179 /nfs/dbraw/zinc/15/21/79/555152179.db2.gz ADULWKQPJDXXHP-MOBKVPTQSA-N -1 1 518.522 4.857 50 30 KJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102927525 555152225 /nfs/dbraw/zinc/15/22/25/555152225.db2.gz ADULWKQPJDXXHP-HOGKFDNTSA-N -1 1 518.522 4.857 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102927720 555152439 /nfs/dbraw/zinc/15/24/39/555152439.db2.gz YZTTZBJIJNUTHO-HOGKFDNTSA-N -1 1 506.536 4.932 50 30 KJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102927722 555152421 /nfs/dbraw/zinc/15/24/21/555152421.db2.gz YZTTZBJIJNUTHO-MOBKVPTQSA-N -1 1 506.536 4.932 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102927751 555152399 /nfs/dbraw/zinc/15/23/99/555152399.db2.gz YGTHTPHVNCERKW-NXLSWJSLSA-N -1 1 562.600 4.966 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102927751 555152398 /nfs/dbraw/zinc/15/23/98/555152398.db2.gz YGTHTPHVNCERKW-NXLSWJSLSA-N -1 1 562.600 4.966 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102927754 555152433 /nfs/dbraw/zinc/15/24/33/555152433.db2.gz YGTHTPHVNCERKW-SBXHHDGASA-N -1 1 562.600 4.966 50 30 KJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102927754 555152431 /nfs/dbraw/zinc/15/24/31/555152431.db2.gz YGTHTPHVNCERKW-SBXHHDGASA-N -1 1 562.600 4.966 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102928156 555153590 /nfs/dbraw/zinc/15/35/90/555153590.db2.gz QLCQJBBLIJANIL-DPEHCCBOSA-N -1 1 519.398 4.688 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102928158 555153547 /nfs/dbraw/zinc/15/35/47/555153547.db2.gz QLCQJBBLIJANIL-IDTYTIONSA-N -1 1 519.398 4.688 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102928456 555153726 /nfs/dbraw/zinc/15/37/26/555153726.db2.gz ULDGDONNLYFMSN-MOBKVPTQSA-N -1 1 517.519 4.848 50 30 KJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102928457 555153742 /nfs/dbraw/zinc/15/37/42/555153742.db2.gz ULDGDONNLYFMSN-HOGKFDNTSA-N -1 1 517.519 4.848 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000102928601 555154247 /nfs/dbraw/zinc/15/42/47/555154247.db2.gz VWUIKGWZZRKQOK-YDJIHCHBSA-N -1 1 510.543 4.711 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102928603 555154238 /nfs/dbraw/zinc/15/42/38/555154238.db2.gz VWUIKGWZZRKQOK-NHFXJNLRSA-N -1 1 510.543 4.711 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102928698 555154456 /nfs/dbraw/zinc/15/44/56/555154456.db2.gz XVAMQUAHYXDOMB-WOOAAIBNSA-N -1 1 557.422 4.944 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000102928700 555154506 /nfs/dbraw/zinc/15/45/06/555154506.db2.gz XVAMQUAHYXDOMB-LFVOPCPISA-N -1 1 557.422 4.944 50 30 KJEAMM N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2o1 ZINC000102930108 555156513 /nfs/dbraw/zinc/15/65/13/555156513.db2.gz JMPYEHNSCNIFLM-UHFFFAOYSA-N -1 1 543.970 4.793 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102930833 555158104 /nfs/dbraw/zinc/15/81/04/555158104.db2.gz GUKIJMUWYHNGJZ-YDJIHCHBSA-N -1 1 510.499 4.681 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102930836 555158063 /nfs/dbraw/zinc/15/80/63/555158063.db2.gz GUKIJMUWYHNGJZ-NHFXJNLRSA-N -1 1 510.499 4.681 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102930863 555157981 /nfs/dbraw/zinc/15/79/81/555157981.db2.gz ZCODZFGQDUXGEH-JBCNATCCSA-N -1 1 505.483 4.979 50 30 KJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102930864 555158071 /nfs/dbraw/zinc/15/80/71/555158071.db2.gz ZCODZFGQDUXGEH-MRJHHRETSA-N -1 1 505.483 4.979 50 30 KJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102930878 555158037 /nfs/dbraw/zinc/15/80/37/555158037.db2.gz YYPIPOVKPWAXLM-NXLSWJSLSA-N -1 1 591.623 4.827 50 30 KJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102930880 555158088 /nfs/dbraw/zinc/15/80/88/555158088.db2.gz YYPIPOVKPWAXLM-SBXHHDGASA-N -1 1 591.623 4.827 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102932313 555160064 /nfs/dbraw/zinc/16/00/64/555160064.db2.gz HJGDGNKHLYDONR-WOOAAIBNSA-N -1 1 557.422 4.944 50 30 KJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000102932317 555160025 /nfs/dbraw/zinc/16/00/25/555160025.db2.gz HJGDGNKHLYDONR-LFVOPCPISA-N -1 1 557.422 4.944 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000102935092 555162474 /nfs/dbraw/zinc/16/24/74/555162474.db2.gz IJWVXTHDMAYPKD-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000102935092 555162472 /nfs/dbraw/zinc/16/24/72/555162472.db2.gz IJWVXTHDMAYPKD-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000102935093 555162453 /nfs/dbraw/zinc/16/24/53/555162453.db2.gz IJWVXTHDMAYPKD-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000102935093 555162448 /nfs/dbraw/zinc/16/24/48/555162448.db2.gz IJWVXTHDMAYPKD-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=NS(=O)(=O)c3cccs3)c3ccccc3)ccc2N2CCOCC2)cc1 ZINC000102937505 555165517 /nfs/dbraw/zinc/16/55/17/555165517.db2.gz NITIDBBWLLITKI-UHFFFAOYSA-N -1 1 612.755 4.642 50 30 KJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000102937647 555165666 /nfs/dbraw/zinc/16/56/66/555165666.db2.gz UOIREMRDAJOAGT-XMMPIXPASA-N -1 1 607.622 4.690 50 30 KJEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000102937649 555165750 /nfs/dbraw/zinc/16/57/50/555165750.db2.gz UOIREMRDAJOAGT-DEOSSOPVSA-N -1 1 607.622 4.690 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000103928925 571369987 /nfs/dbraw/zinc/36/99/87/571369987.db2.gz GHFSVRLUPFHWMD-ZHHPLPSFSA-N -1 1 566.632 4.979 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000103928930 571369947 /nfs/dbraw/zinc/36/99/47/571369947.db2.gz GHFSVRLUPFHWMD-AYWGPLOBSA-N -1 1 566.632 4.979 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000103928943 571370066 /nfs/dbraw/zinc/37/00/66/571370066.db2.gz MSSBIXLHRJLXTN-JBCNATCCSA-N -1 1 506.580 4.880 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000103928947 571370084 /nfs/dbraw/zinc/37/00/84/571370084.db2.gz MSSBIXLHRJLXTN-MRJHHRETSA-N -1 1 506.580 4.880 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000103928977 571370082 /nfs/dbraw/zinc/37/00/82/571370082.db2.gz ALIMDAWKCNLQQG-YDJIHCHBSA-N -1 1 510.543 4.711 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000103928982 571370175 /nfs/dbraw/zinc/37/01/75/571370175.db2.gz ALIMDAWKCNLQQG-NHFXJNLRSA-N -1 1 510.543 4.711 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000103928998 571370189 /nfs/dbraw/zinc/37/01/89/571370189.db2.gz APNACOVMUNDMLB-HOGKFDNTSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000103928998 571370187 /nfs/dbraw/zinc/37/01/87/571370187.db2.gz APNACOVMUNDMLB-HOGKFDNTSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000103929003 571370165 /nfs/dbraw/zinc/37/01/65/571370165.db2.gz APNACOVMUNDMLB-MOBKVPTQSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000103929003 571370163 /nfs/dbraw/zinc/37/01/63/571370163.db2.gz APNACOVMUNDMLB-MOBKVPTQSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000103929052 571370170 /nfs/dbraw/zinc/37/01/70/571370170.db2.gz HZBJPKAXSXFYCH-HOGKFDNTSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000103929052 571370168 /nfs/dbraw/zinc/37/01/68/571370168.db2.gz HZBJPKAXSXFYCH-HOGKFDNTSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000103929057 571370070 /nfs/dbraw/zinc/37/00/70/571370070.db2.gz HZBJPKAXSXFYCH-MOBKVPTQSA-N -1 1 536.606 4.970 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000103929057 571370069 /nfs/dbraw/zinc/37/00/69/571370069.db2.gz HZBJPKAXSXFYCH-MOBKVPTQSA-N -1 1 536.606 4.970 50 30 KJEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000104100117 571373817 /nfs/dbraw/zinc/37/38/17/571373817.db2.gz SKSMRXPMDJQJBX-JBCNATCCSA-N -1 1 509.312 4.992 50 30 KJEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000104100120 571373839 /nfs/dbraw/zinc/37/38/39/571373839.db2.gz SKSMRXPMDJQJBX-MRJHHRETSA-N -1 1 509.312 4.992 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000104218979 571377075 /nfs/dbraw/zinc/37/70/75/571377075.db2.gz GVYVTWTZABAKAJ-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccccc1[C@@H]1C(=C([O-])c2ccc(OC)cc2C)C(=O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000104218979 571377074 /nfs/dbraw/zinc/37/70/74/571377074.db2.gz GVYVTWTZABAKAJ-JBCNATCCSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000104218984 571377070 /nfs/dbraw/zinc/37/70/70/571377070.db2.gz GVYVTWTZABAKAJ-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM CCOc1ccccc1[C@H]1C(=C([O-])c2ccc(OC)cc2C)C(=O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000104218984 571377069 /nfs/dbraw/zinc/37/70/69/571377069.db2.gz GVYVTWTZABAKAJ-MRJHHRETSA-N -1 1 522.579 4.580 50 30 KJEAMM C=C(C)COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)ccc1OC ZINC000108447775 571423922 /nfs/dbraw/zinc/42/39/22/571423922.db2.gz GURRMZGELQQUSQ-INIZCTEOSA-N -1 1 532.501 4.687 50 30 biogenic KJEAMM C=C(C)COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)ccc1OC ZINC000108447778 571423869 /nfs/dbraw/zinc/42/38/69/571423869.db2.gz GURRMZGELQQUSQ-MRXNPFEDSA-N -1 1 532.501 4.687 50 30 biogenic KJEAMM C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21 ZINC000108449800 571425050 /nfs/dbraw/zinc/42/50/50/571425050.db2.gz QGECHAFXHRIAAV-INIZCTEOSA-N -1 1 532.501 4.687 50 30 biogenic KJEAMM C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21 ZINC000108449801 571425009 /nfs/dbraw/zinc/42/50/09/571425009.db2.gz QGECHAFXHRIAAV-MRXNPFEDSA-N -1 1 532.501 4.687 50 30 biogenic KJEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000108450874 571425453 /nfs/dbraw/zinc/42/54/53/571425453.db2.gz JUWMHFHTVSCACN-INIZCTEOSA-N -1 1 532.501 4.687 50 30 biogenic KJEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000108450878 571425529 /nfs/dbraw/zinc/42/55/29/571425529.db2.gz JUWMHFHTVSCACN-MRXNPFEDSA-N -1 1 532.501 4.687 50 30 biogenic KJEAMM CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000108806066 571426620 /nfs/dbraw/zinc/42/66/20/571426620.db2.gz BUPGAQRVFVNKEG-AMVVHIIESA-N -1 1 573.582 4.834 50 30 KJEAMM O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cc(I)cc(I)c1[O-] ZINC000150388509 571470969 /nfs/dbraw/zinc/47/09/69/571470969.db2.gz JCUDGNLAVDYWKQ-KRWDZBQOSA-N -1 1 625.204 4.645 50 30 KJEAMM O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cc(I)cc(I)c1[O-] ZINC000150388513 571470964 /nfs/dbraw/zinc/47/09/64/571470964.db2.gz JCUDGNLAVDYWKQ-QGZVFWFLSA-N -1 1 625.204 4.645 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445292 571500394 /nfs/dbraw/zinc/50/03/94/571500394.db2.gz JLANNUUGLQQTMB-YDJIHCHBSA-N -1 1 631.457 4.502 50 30 KJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445297 571500391 /nfs/dbraw/zinc/50/03/91/571500391.db2.gz JLANNUUGLQQTMB-NHFXJNLRSA-N -1 1 631.457 4.502 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1cccc(Br)c1 ZINC000150447173 571501334 /nfs/dbraw/zinc/50/13/34/571501334.db2.gz RPPUOQSYRQXXOX-YDJIHCHBSA-N -1 1 616.427 4.866 50 30 KJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1cccc(Br)c1 ZINC000150447182 571501320 /nfs/dbraw/zinc/50/13/20/571501320.db2.gz RPPUOQSYRQXXOX-NHFXJNLRSA-N -1 1 616.427 4.866 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463621 571507211 /nfs/dbraw/zinc/50/72/11/571507211.db2.gz PNIFNQMTGQKNTQ-JBCNATCCSA-N -1 1 643.468 4.669 50 30 KJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463624 571507367 /nfs/dbraw/zinc/50/73/67/571507367.db2.gz PNIFNQMTGQKNTQ-MRJHHRETSA-N -1 1 643.468 4.669 50 30 KJEAMM O=C(C=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1 ZINC000198714821 571568738 /nfs/dbraw/zinc/56/87/38/571568738.db2.gz QDXIDUIGRGOYHU-UHFFFAOYSA-N -1 1 506.436 4.704 50 30 KJEAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2)cc1 ZINC000216758189 571597755 /nfs/dbraw/zinc/59/77/55/571597755.db2.gz ZGQQVZNUGAUVCI-HNNXBMFYSA-N -1 1 509.609 4.584 50 30 KJEAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2)cc1 ZINC000216758233 571597764 /nfs/dbraw/zinc/59/77/64/571597764.db2.gz ZGQQVZNUGAUVCI-OAHLLOKOSA-N -1 1 509.609 4.584 50 30 KJEAMM COC(=O)C[C@@H](c1ccnc2ccccc21)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccnc3ccccc32)C(=O)C1=O ZINC000217955627 571602794 /nfs/dbraw/zinc/60/27/94/571602794.db2.gz UMPQYZBNWXZNRS-SZPZYZBQSA-N -1 1 566.566 4.553 50 30 KJEAMM COC(=O)C[C@H](c1ccc(OCCc2ccc(OC)cc2)c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000217970211 571602738 /nfs/dbraw/zinc/60/27/38/571602738.db2.gz PFBRJLNJVXNHAQ-HSZRJFAPSA-N -1 1 516.546 4.863 50 30 KJEAMM COC(=O)C[C@@H](c1ccc(OCCc2ccc(OC)cc2)c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000217970293 571602759 /nfs/dbraw/zinc/60/27/59/571602759.db2.gz PFBRJLNJVXNHAQ-QHCPKHFHSA-N -1 1 516.546 4.863 50 30 KJEAMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2)c1 ZINC000226794904 572141416 /nfs/dbraw/zinc/14/14/16/572141416.db2.gz JEHNVEGYUJNGDV-OAHLLOKOSA-N -1 1 509.609 4.584 50 30 KJEAMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2)c1 ZINC000226794910 572141388 /nfs/dbraw/zinc/14/13/88/572141388.db2.gz JEHNVEGYUJNGDV-HNNXBMFYSA-N -1 1 509.609 4.584 50 30 KJEAMM CCOC(=O)c1sc([N-]N=C(C(C)=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c(C(=O)OCC)c1C ZINC000245285176 572225748 /nfs/dbraw/zinc/22/57/48/572225748.db2.gz WFJLEJFQSSCWHH-CYBMUJFWSA-N -1 1 591.708 4.769 50 30 KJEAMM CCOC(=O)c1sc([N-]N=C(C(C)=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c(C(=O)OCC)c1C ZINC000245285179 572225766 /nfs/dbraw/zinc/22/57/66/572225766.db2.gz WFJLEJFQSSCWHH-ZDUSSCGKSA-N -1 1 591.708 4.769 50 30 KJEAMM CN1C(=O)/C(=C/c2cc(I)cc(I)c2[O-])SC1=Nc1ccccc1 ZINC000252602709 572267507 /nfs/dbraw/zinc/26/75/07/572267507.db2.gz FJSSCDWKJLEUKM-RKPSFQJFSA-N -1 1 562.170 4.835 50 30 KJEAMM CN1C(=O)/C(=C\c2cc(I)cc(I)c2[O-])SC1=Nc1ccccc1 ZINC000252602710 572267576 /nfs/dbraw/zinc/26/75/76/572267576.db2.gz FJSSCDWKJLEUKM-VYUZCOAASA-N -1 1 562.170 4.835 50 30 KJEAMM [O-]c1c(I)cc(I)cc1CN=Nc1nc(Nc2cccc3ccccc32)nc(N2CCOCC2)n1 ZINC000252628126 572270906 /nfs/dbraw/zinc/27/09/06/572270906.db2.gz SINMVHNXSSRVNR-UHFFFAOYSA-N -1 1 693.287 4.966 50 30 KJEAMM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000253470619 572289468 /nfs/dbraw/zinc/28/94/68/572289468.db2.gz QIZFEVOFXUTVCR-JOCHJYFZSA-N -1 1 634.302 4.819 50 30 KJEAMM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000253470620 572289471 /nfs/dbraw/zinc/28/94/71/572289471.db2.gz QIZFEVOFXUTVCR-QFIPXVFZSA-N -1 1 634.302 4.819 50 30 KJEAMM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000253470632 572289498 /nfs/dbraw/zinc/28/94/98/572289498.db2.gz SFPRMMGNYNFZOG-JOCHJYFZSA-N -1 1 589.851 4.710 50 30 KJEAMM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000253470633 572289532 /nfs/dbraw/zinc/28/95/32/572289532.db2.gz SFPRMMGNYNFZOG-QFIPXVFZSA-N -1 1 589.851 4.710 50 30 KJEAMM COc1ccc(NC(=O)C(=NNc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C(C)=O)cc1 ZINC000254025981 1066490011 /nfs/dbraw/zinc/49/00/11/1066490011.db2.gz XOKPGGOFPBSHOE-UHFFFAOYSA-N -1 1 535.409 4.798 50 30 KJEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000254310055 1067142613 /nfs/dbraw/zinc/14/26/13/1067142613.db2.gz JYVHRNHNFNRYGA-UHFFFAOYSA-N -1 1 508.434 4.559 50 30 KJEAMM COC(=O)c1ccc(COc2ccc(CN=Nc3ccc(S(=O)(=O)Nc4ccccc4C(=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000254406212 1067144723 /nfs/dbraw/zinc/14/47/23/1067144723.db2.gz FTZPNXAMODBDPA-UHFFFAOYSA-N -1 1 604.597 4.905 50 30 KJEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(OC(=O)c4ccco4)c(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000254441177 1067145143 /nfs/dbraw/zinc/14/51/43/1067145143.db2.gz NJWKCCRXNFCABL-UHFFFAOYSA-N -1 1 566.548 4.671 50 30 KJEAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N=C3N=C4C=CC(Cl)=CN4Cc4ccccc43)c2)cc1 ZINC000254518919 1067147913 /nfs/dbraw/zinc/14/79/13/1067147913.db2.gz UANBLFJAIZUECW-UHFFFAOYSA-N -1 1 533.009 4.947 50 30 KJEAMM COc1ccc(NS(=O)(=O)c2ccc(C(C)N=Nc3ccc(S(=O)(=O)Nc4ccccc4C(=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000254616956 1067150082 /nfs/dbraw/zinc/15/00/82/1067150082.db2.gz IBOFELSGXBIDJV-UHFFFAOYSA-N -1 1 639.668 4.739 50 30 KJEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000254667930 1067150512 /nfs/dbraw/zinc/15/05/12/1067150512.db2.gz JKLKRVOUWPXPSE-UHFFFAOYSA-N -1 1 508.434 4.559 50 30 KJEAMM COc1cc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000254703965 1067151289 /nfs/dbraw/zinc/15/12/89/1067151289.db2.gz ZPIUXHZZDVBAKF-UHFFFAOYSA-N -1 1 556.597 4.973 50 30 KJEAMM COc1cc(C=Nn2c(-c3ccc([O-])c(C(N)=O)c3)csc2=NC2CC2)ccc1OCc1ccccc1 ZINC000254714320 1067151823 /nfs/dbraw/zinc/15/18/23/1067151823.db2.gz VOLLFKCOUININK-UHFFFAOYSA-N -1 1 514.607 4.554 50 30 KJEAMM Cc1nn2c(nc(N3CCOCC3)c3ccccc32)c1CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000254730080 1067151847 /nfs/dbraw/zinc/15/18/47/1067151847.db2.gz MBKTVIMLUYJONG-UHFFFAOYSA-N -1 1 614.688 4.799 50 30 KJEAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2c(C)nn(-c3ccccc3)c2N2CCCC2)c([N+](=O)[O-])c1 ZINC000254742226 1067152586 /nfs/dbraw/zinc/15/25/86/1067152586.db2.gz ODHSVNRBECEHHV-UHFFFAOYSA-N -1 1 575.651 4.945 50 30 KJEAMM CCc1cccc2c(CN=Nc3ccc(S(=O)(=O)Nc4ccccc4C(=O)[O-])cc3[N+](=O)[O-])c[nH]c21 ZINC000254756657 1067153693 /nfs/dbraw/zinc/15/36/93/1067153693.db2.gz YZXGQGMXOPHMIY-UHFFFAOYSA-N -1 1 507.528 4.584 50 30 KJEAMM CCOC(=O)c1sc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C(=O)OCC)c1C ZINC000254815882 1067154254 /nfs/dbraw/zinc/15/42/54/1067154254.db2.gz JLXSQAGIJWIXHR-UHFFFAOYSA-N -1 1 504.568 4.629 50 30 KJEAMM Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000254824969 1067154274 /nfs/dbraw/zinc/15/42/74/1067154274.db2.gz VDKLVZLILONIGN-UHFFFAOYSA-N -1 1 545.625 4.936 50 30 aggregator KJEAMM COc1ccc(NC(=O)C(N=Nc2cccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)C(C)=O)cc1 ZINC000254827110 1067154230 /nfs/dbraw/zinc/15/42/30/1067154230.db2.gz 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