smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccccc1NC(=O)c1c([O-])n(CCC(C)C)c2ccccc2c1=O ZINC000005817265 960786451 /nfs/dbraw/zinc/78/64/51/960786451.db2.gz PEFCVSSJEWKFDO-UHFFFAOYSA-N -1 1 408.454 3.792 50 0 HHAAMM Cc1c(C(=O)[O-])oc2c1C(=NNc1ncnc3c1cnn3-c1ccccc1)CCC2 ZINC000254626330 970576727 /nfs/dbraw/zinc/57/67/27/970576727.db2.gz FCAFZSSIGMRGPL-UHFFFAOYSA-N -1 1 402.414 3.568 50 0 HHAAMM Cc1c(C(=O)[O-])oc2c1C(=N[N-]c1[nH+]cnc3c1cnn3-c1ccccc1)CCC2 ZINC000254626330 970576732 /nfs/dbraw/zinc/57/67/32/970576732.db2.gz FCAFZSSIGMRGPL-UHFFFAOYSA-N -1 1 402.414 3.568 50 0 HHAAMM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000627026 132229226 /nfs/dbraw/zinc/22/92/26/132229226.db2.gz RIQZZIITKFLZNA-GOSISDBHSA-N -1 1 407.297 3.842 50 0 HHAAMM CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)s1 ZINC000040285270 519463764 /nfs/dbraw/zinc/46/37/64/519463764.db2.gz RVKJUHJSVJJFJD-CYBMUJFWSA-N -1 1 423.564 3.806 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1 ZINC000032943993 524695122 /nfs/dbraw/zinc/69/51/22/524695122.db2.gz SARGBMCAOMMECM-ZDUSSCGKSA-N -1 1 418.540 3.733 50 0 HHAAMM C[C@@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2S1 ZINC000032944025 524761579 /nfs/dbraw/zinc/76/15/79/524761579.db2.gz YARMLWPMBPELNR-GFCCVEGCSA-N -1 1 406.504 3.864 50 0 HHAAMM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)n1cccn1 ZINC000032600365 526157855 /nfs/dbraw/zinc/15/78/55/526157855.db2.gz OYEISNSZMFFTOL-CYBMUJFWSA-N -1 1 404.879 3.537 50 0 HHAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1cccnc1 ZINC000031939551 526767945 /nfs/dbraw/zinc/76/79/45/526767945.db2.gz CSMCZGQQVWBJQO-NRFANRHFSA-N -1 1 407.495 3.860 50 0 HHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000000674130 557051082 /nfs/dbraw/zinc/05/10/82/557051082.db2.gz VQAFDMSISRJYBU-UHFFFAOYSA-N -1 1 406.463 3.905 50 0 HHAAMM CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1 ZINC000001077352 557174117 /nfs/dbraw/zinc/17/41/17/557174117.db2.gz FKSQBBJFRYDWFP-HXUWFJFHSA-N -1 1 409.467 3.778 50 0 HHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)c1 ZINC000002136468 557317548 /nfs/dbraw/zinc/31/75/48/557317548.db2.gz QNCFGHQNXIMWQQ-UHFFFAOYSA-N -1 1 419.572 3.963 50 0 HHAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1 ZINC000004809444 557599684 /nfs/dbraw/zinc/59/96/84/557599684.db2.gz MTWQYDPPWLQHAI-UHFFFAOYSA-N -1 1 401.488 3.708 50 0 HHAAMM O=S(=O)(c1cccc(-c2n[n-]c(=S)n2C2CCCCCC2)c1)N1CCOCC1 ZINC000006414662 557701686 /nfs/dbraw/zinc/70/16/86/557701686.db2.gz YYGUEIOMUXCLSE-UHFFFAOYSA-N -1 1 422.576 3.524 50 0 HHAAMM COC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000008132278 557773224 /nfs/dbraw/zinc/77/32/24/557773224.db2.gz SNQOCELHHKTPRZ-HNNXBMFYSA-N -1 1 403.479 3.662 50 0 HHAAMM COC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1sccc1C ZINC000008346010 557782962 /nfs/dbraw/zinc/78/29/62/557782962.db2.gz KIQQCXQVHBXJGW-ZDUSSCGKSA-N -1 1 405.545 3.892 50 0 HHAAMM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000020352070 558356902 /nfs/dbraw/zinc/35/69/02/558356902.db2.gz DFAKYWYHJUOCTF-UHFFFAOYSA-N -1 1 418.522 3.853 50 0 aggregator HHAAMM CC(C)Cc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000021746840 558447586 /nfs/dbraw/zinc/44/75/86/558447586.db2.gz UPBHGMAXSGGYRL-UHFFFAOYSA-N -1 1 416.528 3.790 50 0 HHAAMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(N2CCCC2)nc1 ZINC000022390833 558485993 /nfs/dbraw/zinc/48/59/93/558485993.db2.gz GFZCQQYEMLIZLT-UHFFFAOYSA-N -1 1 400.533 3.693 50 0 HHAAMM C[C@@H](Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)NC(C)(C)C ZINC000028385761 558699746 /nfs/dbraw/zinc/69/97/46/558699746.db2.gz FRJHDXUNJHAGEA-CYBMUJFWSA-N -1 1 409.939 3.856 50 0 HHAAMM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029331872 558713611 /nfs/dbraw/zinc/71/36/11/558713611.db2.gz JIPSYGBXURPPQE-UHFFFAOYSA-N -1 1 420.494 3.636 50 0 HHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3c[nH]nc32)cc1 ZINC000030651521 558735110 /nfs/dbraw/zinc/73/51/10/558735110.db2.gz GSROKBSTPKMEIG-UHFFFAOYSA-N -1 1 408.487 3.911 50 0 HHAAMM CCCC(=O)N1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000016636945 558797232 /nfs/dbraw/zinc/79/72/32/558797232.db2.gz LANAJFIFJJWZCG-UHFFFAOYSA-N -1 1 421.950 3.590 50 0 HHAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018114337 558831332 /nfs/dbraw/zinc/83/13/32/558831332.db2.gz VGAJYRKEVKPHAO-BDTNDASRSA-N -1 1 400.434 3.746 50 0 HHAAMM COC(=O)CC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000071134411 558853558 /nfs/dbraw/zinc/85/35/58/558853558.db2.gz LQSSSUAWROAMPP-QFIPXVFZSA-N -1 1 403.478 3.975 50 0 HHAAMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)-c1oncc1CO2 ZINC000033171274 558900068 /nfs/dbraw/zinc/90/00/68/558900068.db2.gz YGFYFICDLLCKRC-UHFFFAOYSA-N -1 1 407.245 3.797 50 0 HHAAMM O=C([O-])c1n[nH]cc1CN1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067741623 558992120 /nfs/dbraw/zinc/99/21/20/558992120.db2.gz SKKGLEUPBDGDCQ-UHFFFAOYSA-N -1 1 413.481 3.570 50 0 HHAAMM CCCCc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000023363970 559173260 /nfs/dbraw/zinc/17/32/60/559173260.db2.gz DVPSGYLCANRCLF-UHFFFAOYSA-N -1 1 416.528 3.934 50 0 HHAAMM CCOc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000004880211 559196301 /nfs/dbraw/zinc/19/63/01/559196301.db2.gz YYNYEYVUXPJJDJ-LJQANCHMSA-N -1 1 416.524 3.805 50 0 HHAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCN(C)c2ccccc2)cc1 ZINC000017827109 560728968 /nfs/dbraw/zinc/72/89/68/560728968.db2.gz TWFHRHPYZBESRC-UHFFFAOYSA-N -1 1 409.559 3.949 50 0 HHAAMM COc1ccc(-c2cc(=O)[n-]c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000018106776 560775827 /nfs/dbraw/zinc/77/58/27/560775827.db2.gz ZPEUJNQBUHIMGZ-UHFFFAOYSA-N -1 1 401.875 3.830 50 0 HHAAMM CCOc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000012126338 560889562 /nfs/dbraw/zinc/88/95/62/560889562.db2.gz LHYXSIPHINKAPV-UHFFFAOYSA-N -1 1 421.501 3.536 50 0 HHAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NC(C)C)C1)nc2=O ZINC000049421410 568450610 /nfs/dbraw/zinc/45/06/10/568450610.db2.gz CTGPLWGHJOMITM-OAHLLOKOSA-N -1 1 410.543 3.701 50 0 HHAAMM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2C1 ZINC000096096313 568688924 /nfs/dbraw/zinc/68/89/24/568688924.db2.gz JJUNEPFNIUUABR-UHFFFAOYSA-N -1 1 414.405 3.631 50 0 HHAAMM Cc1c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C ZINC000096113973 568693662 /nfs/dbraw/zinc/69/36/62/568693662.db2.gz XMZFTCNIRPFDDV-CQSZACIVSA-N -1 1 402.406 3.649 50 0 biogenic HHAAMM Cc1c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cnn1C ZINC000096113973 568693666 /nfs/dbraw/zinc/69/36/66/568693666.db2.gz XMZFTCNIRPFDDV-CQSZACIVSA-N -1 1 402.406 3.649 50 0 biogenic HHAAMM Cc1cccc(OCCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000012397942 568698347 /nfs/dbraw/zinc/69/83/47/568698347.db2.gz LCLJKFCZPTXBLS-UHFFFAOYSA-N -1 1 424.522 3.995 50 0 HHAAMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1O ZINC000086057299 568753969 /nfs/dbraw/zinc/75/39/69/568753969.db2.gz QUDOIQBYNUGPAF-HNNXBMFYSA-N -1 1 423.494 3.559 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000086057906 568753982 /nfs/dbraw/zinc/75/39/82/568753982.db2.gz ZAHLROAIXHOTRN-SECBINFHSA-N -1 1 412.284 3.648 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)c(C)c1 ZINC000012548658 568851888 /nfs/dbraw/zinc/85/18/88/568851888.db2.gz GTWMMZTXFLOSMX-UHFFFAOYSA-N -1 1 424.522 3.913 50 0 HHAAMM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1 ZINC000012560479 568858378 /nfs/dbraw/zinc/85/83/78/568858378.db2.gz MBDCDEZQLUFVOB-UHFFFAOYSA-N -1 1 410.451 3.777 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 ZINC000003442962 568859766 /nfs/dbraw/zinc/85/97/66/568859766.db2.gz YIKVLDDRQPFSEU-UHFFFAOYSA-N -1 1 414.458 3.565 50 0 HHAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)cc(C)c2C)c1C ZINC000012584938 568865974 /nfs/dbraw/zinc/86/59/74/568865974.db2.gz KZLHYQDAMULXPD-UHFFFAOYSA-N -1 1 424.588 3.588 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000003569914 568916363 /nfs/dbraw/zinc/91/63/63/568916363.db2.gz SHJYOLAPVDNWKV-UHFFFAOYSA-N -1 1 414.458 3.565 50 0 HHAAMM C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)cc2NC1=O ZINC000015730849 568981295 /nfs/dbraw/zinc/98/12/95/568981295.db2.gz BWOBTJZDOMEZTQ-GFCCVEGCSA-N -1 1 415.496 3.823 50 0 HHAAMM CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21 ZINC000015732614 568982820 /nfs/dbraw/zinc/98/28/20/568982820.db2.gz BHJDTDNVVBPAAX-UHFFFAOYSA-N -1 1 423.473 3.517 50 0 HHAAMM CCOc1ccccc1NC(=O)CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000011905580 568987096 /nfs/dbraw/zinc/98/70/96/568987096.db2.gz AQQLWPMTOJOJEN-UHFFFAOYSA-N -1 1 409.511 3.799 50 0 HHAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccccc1Br ZINC000011902853 568987158 /nfs/dbraw/zinc/98/71/58/568987158.db2.gz FYRDYSYMHKWKTJ-UHFFFAOYSA-N -1 1 416.300 3.930 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000008289540 568987833 /nfs/dbraw/zinc/98/78/33/568987833.db2.gz JPQVKOZJSDMEGU-UHFFFAOYSA-N -1 1 412.467 3.757 50 0 HHAAMM O=c1c2ccccc2[n-]c(=S)n1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000004599424 569071379 /nfs/dbraw/zinc/07/13/79/569071379.db2.gz RWOQYEIGYXDWHP-UHFFFAOYSA-N -1 1 414.962 3.925 50 0 HHAAMM CCCN(CCC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC)cc1 ZINC000064843758 569107758 /nfs/dbraw/zinc/10/77/58/569107758.db2.gz CHCRXHSWPCUIOD-UHFFFAOYSA-N -1 1 405.520 3.769 50 0 HHAAMM COc1cc(-c2nc3c(c(=O)[n-]2)Cc2cc(Cl)ccc2O3)cc(OC)c1OC ZINC000006748422 569108499 /nfs/dbraw/zinc/10/84/99/569108499.db2.gz OXUNBPORMFUJQI-UHFFFAOYSA-N -1 1 400.818 3.813 50 0 HHAAMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc2N1C(=O)C1CC1 ZINC000006866717 569158983 /nfs/dbraw/zinc/15/89/83/569158983.db2.gz UOBILCUSAUNBKE-LLVKDONJSA-N -1 1 408.882 3.968 50 0 HHAAMM Cc1cccc(NS(=O)(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2C)c1 ZINC000007050790 569213385 /nfs/dbraw/zinc/21/33/85/569213385.db2.gz DDMZIOGLXGNYMK-UHFFFAOYSA-N -1 1 416.524 3.905 50 0 HHAAMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000007054092 569214309 /nfs/dbraw/zinc/21/43/09/569214309.db2.gz SYMXBOZEQKBLHJ-UHFFFAOYSA-N -1 1 400.422 3.988 50 0 HHAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cc(Cl)ccc2Cl)[n-]c1=O ZINC000007421900 569237690 /nfs/dbraw/zinc/23/76/90/569237690.db2.gz FVGGTDAFALGLLY-UHFFFAOYSA-N -1 1 406.273 3.694 50 0 HHAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2Cl)[n-]c1=O ZINC000007421893 569237722 /nfs/dbraw/zinc/23/77/22/569237722.db2.gz GKYZYNDUCNBSDG-UHFFFAOYSA-N -1 1 406.273 3.694 50 0 HHAAMM Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000007421355 569237733 /nfs/dbraw/zinc/23/77/33/569237733.db2.gz OXXDMWZWGHSQOT-UHFFFAOYSA-N -1 1 413.481 3.651 50 0 HHAAMM C[C@H](NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(Br)cc1 ZINC000170605458 569244317 /nfs/dbraw/zinc/24/43/17/569244317.db2.gz IBHKIRWDRKZLFX-JTQLQIEISA-N -1 1 408.321 3.792 50 0 HHAAMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cnoc1-c1ccco1 ZINC000089847794 569267144 /nfs/dbraw/zinc/26/71/44/569267144.db2.gz DTJYQFAVFBOVLR-UHFFFAOYSA-N -1 1 423.450 3.665 50 0 HHAAMM COc1ccc(-c2nc(C)c(CC[N-]S(=O)(=O)c3cc(F)ccc3F)s2)cc1 ZINC000016992142 569270712 /nfs/dbraw/zinc/27/07/12/569270712.db2.gz RBAXMBOHZGANIN-UHFFFAOYSA-N -1 1 424.494 3.926 50 0 HHAAMM Cc1cc2nc3s/c(=C\c4cccc(Br)c4[O-])c(=O)n3c2cc1C ZINC000002281066 569363872 /nfs/dbraw/zinc/36/38/72/569363872.db2.gz JLPZBUHJRSILMT-NVNXTCNLSA-N -1 1 401.285 3.542 50 0 HHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1 ZINC000008610055 571094089 /nfs/dbraw/zinc/09/40/89/571094089.db2.gz RHMYIQXAJWQCOX-UHFFFAOYSA-N -1 1 422.510 3.747 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3ccc(Br)cc3)o2)n1 ZINC000009056873 571216904 /nfs/dbraw/zinc/21/69/04/571216904.db2.gz RJLLZDFHGPFYRM-UHFFFAOYSA-N -1 1 407.293 3.827 50 0 HHAAMM Cc1cccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)n1 ZINC000009322522 571248195 /nfs/dbraw/zinc/24/81/95/571248195.db2.gz WCYQGSAPNUCNJE-HNNXBMFYSA-N -1 1 416.330 3.638 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)n1 ZINC000009495282 571263105 /nfs/dbraw/zinc/26/31/05/571263105.db2.gz OBBQBSXYXGQXEO-UHFFFAOYSA-N -1 1 411.531 3.564 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000009724544 571282221 /nfs/dbraw/zinc/28/22/21/571282221.db2.gz FNIGSGVVSZMPOL-GFCCVEGCSA-N -1 1 402.545 3.644 50 0 HHAAMM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])n(CC)c3ccccc3c2=O)cc1 ZINC000005894436 960799078 /nfs/dbraw/zinc/79/90/78/960799078.db2.gz ZMXFTPHGXCCPGQ-UHFFFAOYSA-N -1 1 408.454 3.936 50 0 HHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)c2ccco2)CCO3)c1 ZINC000006919514 132320893 /nfs/dbraw/zinc/32/08/93/132320893.db2.gz ABRJKHKMEUSFTE-UHFFFAOYSA-N -1 1 412.467 3.736 50 0 HHAAMM CCOc1ccccc1-c1noc(CSc2nc(-c3ccncc3)cc(=O)[n-]2)n1 ZINC000044169494 521444015 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ZINC000096232716 568708255 /nfs/dbraw/zinc/70/82/55/568708255.db2.gz UAGAEQLSQAOHCW-ZDUSSCGKSA-N -1 1 406.360 3.524 50 0 HHAAMM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCCC)[n-]c(=O)c21 ZINC000086057889 568754012 /nfs/dbraw/zinc/75/40/12/568754012.db2.gz ABEFPYCUUNKTMS-CYBMUJFWSA-N -1 1 403.504 3.544 50 0 HHAAMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028835766 568810755 /nfs/dbraw/zinc/81/07/55/568810755.db2.gz UDJGLNODTLUVNN-KRWDZBQOSA-N -1 1 409.511 3.634 50 0 HHAAMM Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000003280637 568851039 /nfs/dbraw/zinc/85/10/39/568851039.db2.gz NXHAKJCIFMREIJ-UHFFFAOYSA-N -1 1 404.875 3.972 50 0 HHAAMM CN(CCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000012553712 568854782 /nfs/dbraw/zinc/85/47/82/568854782.db2.gz GMLQIKPWQHJZSW-UHFFFAOYSA-N -1 1 415.950 3.904 50 0 HHAAMM O=C(Nc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000012568447 568861092 /nfs/dbraw/zinc/86/10/92/568861092.db2.gz 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Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000011905607 568987280 /nfs/dbraw/zinc/98/72/80/568987280.db2.gz HLWMGRFQNJZXLM-UHFFFAOYSA-N -1 1 413.930 3.731 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000013014411 569050810 /nfs/dbraw/zinc/05/08/10/569050810.db2.gz NPGQFBYWKKFVAC-UHFFFAOYSA-N -1 1 412.511 3.757 50 0 HHAAMM CCc1c(C)sc2[n-]c(=S)n(NC(=O)CSCc3ccc(C)cc3)c(=O)c21 ZINC000006489845 569059640 /nfs/dbraw/zinc/05/96/40/569059640.db2.gz UWRRYBORCVBJJF-UHFFFAOYSA-N -1 1 419.597 3.929 50 0 HHAAMM COc1ccccc1N1CCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)CC1 ZINC000064611568 569074373 /nfs/dbraw/zinc/07/43/73/569074373.db2.gz MFAYNKDXTBFMAD-UHFFFAOYSA-N -1 1 418.522 3.987 50 0 HHAAMM CCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1 ZINC000064611775 569074461 /nfs/dbraw/zinc/07/44/61/569074461.db2.gz UNFLNMNAQMCHSD-UHFFFAOYSA-N -1 1 410.543 3.703 50 0 HHAAMM Cc1c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc(C(=O)N2CCC(C)CC2)n1C ZINC000064922361 569122311 /nfs/dbraw/zinc/12/23/11/569122311.db2.gz CHWSJOQFZHJZCA-UHFFFAOYSA-N -1 1 403.548 3.623 50 0 HHAAMM Cc1ccc(CSCC(=O)Nn2c(=O)c3c4c(sc3[n-]c2=S)CCC4)cc1 ZINC000006788292 569122484 /nfs/dbraw/zinc/12/24/84/569122484.db2.gz USUCGLCEAKZWRH-UHFFFAOYSA-N -1 1 417.581 3.547 50 0 HHAAMM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c2)o1 ZINC000065098560 569176775 /nfs/dbraw/zinc/17/67/75/569176775.db2.gz VFXRYNVXGPUMBC-UHFFFAOYSA-N -1 1 414.306 3.978 50 0 HHAAMM O=C(c1noc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21)N1CCCC1 ZINC000065115105 569179298 /nfs/dbraw/zinc/17/92/98/569179298.db2.gz AECZPKRKBDYFRQ-UHFFFAOYSA-N -1 1 405.863 3.518 50 0 HHAAMM O=c1cc2nc(-c3cccs3)nc(SCCOc3ccc(Cl)cc3)n2[n-]1 ZINC000006915870 569181020 /nfs/dbraw/zinc/18/10/20/569181020.db2.gz KZAKMZBFXFMPFT-UHFFFAOYSA-N -1 1 404.904 3.971 50 0 HHAAMM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000065186559 569192200 /nfs/dbraw/zinc/19/22/00/569192200.db2.gz VFNIZLQPYWGULT-UHFFFAOYSA-N -1 1 404.467 3.818 50 0 HHAAMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241536 569201812 /nfs/dbraw/zinc/20/18/12/569201812.db2.gz KGIVOXKMBRMHNR-UHFFFAOYSA-N -1 1 413.430 3.712 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(Br)cc3)no2)n1 ZINC000065330916 569225081 /nfs/dbraw/zinc/22/50/81/569225081.db2.gz CBHAWRLCRJTUTP-UHFFFAOYSA-N -1 1 407.293 3.827 50 0 HHAAMM O=C(Cc1sc(Nc2ccc(O)cc2)nc1[O-])c1ccc(Br)cc1 ZINC000012438378 569401427 /nfs/dbraw/zinc/40/14/27/569401427.db2.gz ADJGMCIFFQAPTE-HNNXBMFYSA-N -1 1 405.273 3.838 50 0 HHAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067298047 571071994 /nfs/dbraw/zinc/07/19/94/571071994.db2.gz CJSOHCDILGQAII-QOCHGBHMSA-N -1 1 407.407 3.808 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1 ZINC000008610163 571094424 /nfs/dbraw/zinc/09/44/24/571094424.db2.gz MCUYXGHJKOFQJS-UHFFFAOYSA-N -1 1 424.526 3.943 50 0 HHAAMM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 ZINC000008840713 571123679 /nfs/dbraw/zinc/12/36/79/571123679.db2.gz MLIFSUSYCGSRSJ-UHFFFAOYSA-N -1 1 415.515 3.525 50 0 HHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)ccc1F ZINC000008977202 571198141 /nfs/dbraw/zinc/19/81/41/571198141.db2.gz IAJHUVYFXZVPNL-UHFFFAOYSA-N -1 1 414.458 3.726 50 0 HHAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CN3CCCCCC3)c2)s1 ZINC000069380833 571224931 /nfs/dbraw/zinc/22/49/31/571224931.db2.gz YOKASVATIGJMRY-UHFFFAOYSA-N -1 1 421.588 3.926 50 0 HHAAMM COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)n2)cc1 ZINC000009236644 571240206 /nfs/dbraw/zinc/24/02/06/571240206.db2.gz DTFFNMSYJOCGHA-UHFFFAOYSA-N -1 1 418.862 3.563 50 0 HHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCCc1cccs1 ZINC000009576491 571269803 /nfs/dbraw/zinc/26/98/03/571269803.db2.gz CRXZVBWGXHGUKS-UHFFFAOYSA-N -1 1 421.474 3.965 50 0 biogenic HHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCCc1cccs1 ZINC000009576491 571269804 /nfs/dbraw/zinc/26/98/04/571269804.db2.gz CRXZVBWGXHGUKS-UHFFFAOYSA-N -1 1 421.474 3.965 50 0 biogenic HHAAMM Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000009715082 571281554 /nfs/dbraw/zinc/28/15/54/571281554.db2.gz RMEGIYHLFOAADK-UHFFFAOYSA-N -1 1 423.469 3.942 50 0 HHAAMM O=C(NCc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009738989 571283250 /nfs/dbraw/zinc/28/32/50/571283250.db2.gz HYZQGCBMMVRHJQ-UHFFFAOYSA-N -1 1 420.412 3.835 50 0 HHAAMM O=S(=O)([N-]c1cccc(-c2ccc3nncn3n2)c1)c1cccc(C(F)(F)F)c1 ZINC000009829203 571287310 /nfs/dbraw/zinc/28/73/10/571287310.db2.gz PKJMWSBEFXMTFS-UHFFFAOYSA-N -1 1 419.388 3.611 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCCCCC3)c2)cc1 ZINC000009903112 571289900 /nfs/dbraw/zinc/28/99/00/571289900.db2.gz ILXPKQMUNBLWKL-UHFFFAOYSA-N -1 1 402.516 3.902 50 0 HHAAMM O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1cc(Cl)ccc1[O-] ZINC000002488730 132255182 /nfs/dbraw/zinc/25/51/82/132255182.db2.gz AILDWCAZEJDLRS-UHFFFAOYSA-N -1 1 408.841 3.836 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)n1 ZINC000044169029 521344102 /nfs/dbraw/zinc/34/41/02/521344102.db2.gz UWKAALVGLSSTSX-UHFFFAOYSA-N -1 1 412.393 3.963 50 0 HHAAMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000032754907 525325793 /nfs/dbraw/zinc/32/57/93/525325793.db2.gz LFIHTUQFHUNROO-UHFFFAOYSA-N -1 1 409.467 3.984 50 0 HHAAMM Cc1cc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)ccc1Br ZINC000032098007 525423505 /nfs/dbraw/zinc/42/35/05/525423505.db2.gz SIZKJQZLNQQBTI-UHFFFAOYSA-N -1 1 409.309 3.884 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1 ZINC000005136475 535401348 /nfs/dbraw/zinc/40/13/48/535401348.db2.gz XDDRUZUPGYSFOO-UHFFFAOYSA-N -1 1 400.500 3.575 50 0 HHAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000001062961 557164975 /nfs/dbraw/zinc/16/49/75/557164975.db2.gz JWVZXNZOJYXLGP-UHFFFAOYSA-N -1 1 412.467 3.757 50 0 HHAAMM Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001122111 557191996 /nfs/dbraw/zinc/19/19/96/557191996.db2.gz MKXFEQVWWHJKEY-UHFFFAOYSA-N -1 1 420.487 3.736 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c1C ZINC000002875735 557416780 /nfs/dbraw/zinc/41/67/80/557416780.db2.gz RUNDCUOPZGTPAN-UHFFFAOYSA-N -1 1 418.559 3.958 50 0 HHAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)NCCOc1ccc(Cl)cc1 ZINC000002876093 557417040 /nfs/dbraw/zinc/41/70/40/557417040.db2.gz CLPCXQPSRHYQTL-UHFFFAOYSA-N -1 1 415.902 3.790 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000004809379 557599743 /nfs/dbraw/zinc/59/97/43/557599743.db2.gz UTIRBVIQXCLXKO-UHFFFAOYSA-N -1 1 410.451 3.777 50 0 HHAAMM CC(C)[C@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc([S-])n32)CO1 ZINC000005610555 557665111 /nfs/dbraw/zinc/66/51/11/557665111.db2.gz BYPIQBYLJZTMDQ-CQSZACIVSA-N -1 1 412.540 3.540 50 0 HHAAMM COC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000008132279 557773163 /nfs/dbraw/zinc/77/31/63/557773163.db2.gz SNQOCELHHKTPRZ-OAHLLOKOSA-N -1 1 403.479 3.662 50 0 HHAAMM Cc1cc([O-])c2c(C)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1 ZINC000012897517 558483523 /nfs/dbraw/zinc/48/35/23/558483523.db2.gz WTWAYFVMFKEYMK-AWEZNQCLSA-N -1 1 404.466 3.887 50 0 biogenic HHAAMM Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013677372 558564898 /nfs/dbraw/zinc/56/48/98/558564898.db2.gz VQYGPEXLMLTION-UHFFFAOYSA-N -1 1 406.507 3.994 50 0 HHAAMM O=C1N[C@H](c2ccc(F)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000013807218 558594996 /nfs/dbraw/zinc/59/49/96/558594996.db2.gz DJBWFJHVCRDNDT-CKEIUWERSA-N -1 1 416.758 3.583 50 0 HHAAMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cnn(Cc2ccccc2Cl)c1 ZINC000026241914 558657711 /nfs/dbraw/zinc/65/77/11/558657711.db2.gz LJNRYDCAFOJCCV-UHFFFAOYSA-N -1 1 410.813 3.754 50 0 HHAAMM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1ccccc1F ZINC000029871942 558723051 /nfs/dbraw/zinc/72/30/51/558723051.db2.gz FSAYNBBYDIIDIQ-UHFFFAOYSA-N -1 1 422.432 3.890 50 0 HHAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000023118791 559013434 /nfs/dbraw/zinc/01/34/34/559013434.db2.gz RSLIHKWDDBKJFR-UHFFFAOYSA-N -1 1 420.490 3.846 50 0 HHAAMM Cc1nc(SCc2ccccc2F)[n-]c(=O)c1CC(=O)N1CCc2ccccc21 ZINC000023138640 559019913 /nfs/dbraw/zinc/01/99/13/559019913.db2.gz CHOXZBXVTRDZJH-UHFFFAOYSA-N -1 1 409.486 3.642 50 0 HHAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000011582706 559112191 /nfs/dbraw/zinc/11/21/91/559112191.db2.gz RWSZOBUUIYTSFW-UHFFFAOYSA-N -1 1 415.873 3.660 50 0 HHAAMM CCOc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000004880216 559196306 /nfs/dbraw/zinc/19/63/06/559196306.db2.gz YYNYEYVUXPJJDJ-IBGZPJMESA-N -1 1 416.524 3.805 50 0 HHAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000011854911 559262186 /nfs/dbraw/zinc/26/21/86/559262186.db2.gz VGBBBQFHTWYIPT-UHFFFAOYSA-N -1 1 409.446 3.692 50 0 HHAAMM O=C(c1cccnc1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000011906495 559266732 /nfs/dbraw/zinc/26/67/32/559266732.db2.gz 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CCOc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(C)c2=O)=Nc2ccccc2S1 ZINC000101495235 560796227 /nfs/dbraw/zinc/79/62/27/560796227.db2.gz JDYZJWBGYJVPPW-SFHVURJKSA-N -1 1 423.494 3.536 50 0 HHAAMM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc3c2N(CCC3)C1=O ZINC000102592168 560817452 /nfs/dbraw/zinc/81/74/52/560817452.db2.gz DVFUAZSVQFFXDX-LLVKDONJSA-N -1 1 410.417 3.903 50 0 HHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000012126348 560889567 /nfs/dbraw/zinc/88/95/67/560889567.db2.gz LZFGWHFGYJNHRH-UHFFFAOYSA-N -1 1 411.893 3.791 50 0 HHAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(C(C)(C)C)cc2)[n-]c(=O)c1C ZINC000012126900 560889662 /nfs/dbraw/zinc/88/96/62/560889662.db2.gz HVUHTHMUAGPFCX-UHFFFAOYSA-N -1 1 405.502 4.000 50 0 HHAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nn(C)c(=O)c3c2CCCC3)ccc1C ZINC000046027440 568424360 /nfs/dbraw/zinc/42/43/60/568424360.db2.gz URWBDSRASRACMQ-UHFFFAOYSA-N -1 1 423.538 3.744 50 0 HHAAMM CCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 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HHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000016269248 558782744 /nfs/dbraw/zinc/78/27/44/558782744.db2.gz YEKJIJLRISWNHD-UHFFFAOYSA-N -1 1 420.490 3.900 50 0 HHAAMM CCOC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421029 558849047 /nfs/dbraw/zinc/84/90/47/558849047.db2.gz DTUHQABTYOWLMZ-UHFFFAOYSA-N -1 1 401.463 3.570 50 0 HHAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2oc1=O ZINC000033048763 558885828 /nfs/dbraw/zinc/88/58/28/558885828.db2.gz IALDKJQJFBBBEU-UHFFFAOYSA-N -1 1 411.277 3.568 50 0 HHAAMM CCOc1ccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)[n-]c(=O)c3C2)cc1 ZINC000004720028 558919019 /nfs/dbraw/zinc/91/90/19/558919019.db2.gz UZARLXNEWUGSLQ-UHFFFAOYSA-N -1 1 404.470 3.734 50 0 HHAAMM Cc1nc(CNC(=O)c2cnc(COc3ccc(C(C)(C)C)cc3)[n-]c2=O)cs1 ZINC000091486995 559071761 /nfs/dbraw/zinc/07/17/61/559071761.db2.gz WIJQFFLDFBSWJT-UHFFFAOYSA-N -1 1 412.515 3.754 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)cc1C ZINC000005084121 559242295 /nfs/dbraw/zinc/24/22/95/559242295.db2.gz FGUYCNVWRCYREX-UHFFFAOYSA-N -1 1 401.513 3.774 50 0 HHAAMM Nc1nc(SCc2ccc(Cl)cc2Cl)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000005082382 559242833 /nfs/dbraw/zinc/24/28/33/559242833.db2.gz XUADYJOIZQHHML-UHFFFAOYSA-N -1 1 411.270 3.797 50 0 HHAAMM CC[C@H](C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000012008365 559271154 /nfs/dbraw/zinc/27/11/54/559271154.db2.gz BAEKXXANMGZTRV-KRWDZBQOSA-N -1 1 417.469 3.965 50 0 HHAAMM CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3nccs3)[n-]c(=O)c21 ZINC000018207432 560784390 /nfs/dbraw/zinc/78/43/90/560784390.db2.gz OAAVMGDXPAMBOQ-HXUWFJFHSA-N -1 1 412.540 3.848 50 0 HHAAMM CCOCCCNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282246 560790537 /nfs/dbraw/zinc/79/05/37/560790537.db2.gz AFBVAMYUCCPLSZ-UHFFFAOYSA-N -1 1 424.888 3.628 50 0 HHAAMM Cc1ccc(CN(C(=O)c2ccccc2Cl)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860838 560804093 /nfs/dbraw/zinc/80/40/93/560804093.db2.gz ZPUUNUNLRFBABP-UHFFFAOYSA-N -1 1 421.888 3.843 50 0 HHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccccc3)C(=O)c3cccs3)nn2c1=O ZINC000101861319 560804113 /nfs/dbraw/zinc/80/41/13/560804113.db2.gz LYPPHVOTQQOING-UHFFFAOYSA-N -1 1 421.526 3.977 50 0 HHAAMM Cc1cccc(C(=O)N(Cc2ccccc2Cl)c2nn3c([n-]2)nc(C)c(C)c3=O)c1 ZINC000101860759 560852314 /nfs/dbraw/zinc/85/23/14/560852314.db2.gz UBEPRQVHVUZFKR-UHFFFAOYSA-N -1 1 421.888 3.843 50 0 HHAAMM CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)[n-]c1=O ZINC000012128125 560889871 /nfs/dbraw/zinc/88/98/71/560889871.db2.gz RUHAHPXTNYMPRG-UHFFFAOYSA-N -1 1 403.442 3.702 50 0 HHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000046074266 568426841 /nfs/dbraw/zinc/42/68/41/568426841.db2.gz YGXNJUVHNJHNTQ-JTQLQIEISA-N -1 1 424.885 3.519 50 0 HHAAMM O=C(NC1CCCC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421122 568450580 /nfs/dbraw/zinc/45/05/80/568450580.db2.gz IJRLMGMDFQYWJQ-INIZCTEOSA-N -1 1 422.554 3.927 50 0 HHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000008195478 568492702 /nfs/dbraw/zinc/49/27/02/568492702.db2.gz KLNKFZUMIVYYFQ-UHFFFAOYSA-N -1 1 408.479 3.620 50 0 HHAAMM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(Nc2nc3ccccc3s2)n1 ZINC000039383660 568596626 /nfs/dbraw/zinc/59/66/26/568596626.db2.gz LGUVOSAQEWZLPT-UHFFFAOYSA-N -1 1 419.514 3.879 50 0 HHAAMM Cc1cccc(-c2nc3ccccc3[nH]c2=O)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000096102804 568691466 /nfs/dbraw/zinc/69/14/66/568691466.db2.gz LWQVRSSOTYGJHY-UHFFFAOYSA-N -1 1 409.442 3.838 50 0 HHAAMM O=C1C[C@@H](c2cccnc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115409 568694816 /nfs/dbraw/zinc/69/48/16/568694816.db2.gz PERJESDTIZGRGN-HNNXBMFYSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1cccnc1)CC(=O)O2 ZINC000096115409 568694818 /nfs/dbraw/zinc/69/48/18/568694818.db2.gz PERJESDTIZGRGN-HNNXBMFYSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM CCCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000012410690 568714635 /nfs/dbraw/zinc/71/46/35/568714635.db2.gz BLKRLPZBHYEDNO-UHFFFAOYSA-N -1 1 424.862 3.834 50 0 HHAAMM O=S(=O)([N-]c1ccccc1S(=O)(=O)Nc1ccccc1)c1ccc(F)cc1F ZINC000096997117 568766222 /nfs/dbraw/zinc/76/62/22/568766222.db2.gz OIMPHYRQUMETCR-UHFFFAOYSA-N -1 1 424.450 3.566 50 0 HHAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000056223797 568795699 /nfs/dbraw/zinc/79/56/99/568795699.db2.gz BHRDGASALXLJBF-NSHDSACASA-N -1 1 416.421 3.572 50 0 HHAAMM O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012548520 568851577 /nfs/dbraw/zinc/85/15/77/568851577.db2.gz RCPWTTHOMDNLBA-UHFFFAOYSA-N -1 1 410.451 3.511 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000012605788 568871206 /nfs/dbraw/zinc/87/12/06/568871206.db2.gz POVHQYVWOCQZAJ-UHFFFAOYSA-N -1 1 416.524 3.905 50 0 HHAAMM CN(C)S(=O)(=O)c1ccc([O-])c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000031148363 568915707 /nfs/dbraw/zinc/91/57/07/568915707.db2.gz SDPIMXYHHKOVJT-UHFFFAOYSA-N -1 1 410.904 3.763 50 0 HHAAMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000003581533 568917146 /nfs/dbraw/zinc/91/71/46/568917146.db2.gz OWEGQMPFRLULHD-INIZCTEOSA-N -1 1 422.572 3.785 50 0 HHAAMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000012735717 568924866 /nfs/dbraw/zinc/92/48/66/568924866.db2.gz OSYMPKZGRVKDOD-UHFFFAOYSA-N -1 1 413.826 3.563 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(n3)SCC4)c2)cc1F ZINC000004249103 568954007 /nfs/dbraw/zinc/95/40/07/568954007.db2.gz YJVKSJZGPQDAJS-UHFFFAOYSA-N -1 1 405.476 3.604 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(-c2nc3ccccc3[nH]c2=O)c1 ZINC000004270552 568956835 /nfs/dbraw/zinc/95/68/35/568956835.db2.gz CIZSNWIVWXVXIN-UHFFFAOYSA-N -1 1 409.442 3.838 50 0 HHAAMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000008036089 568969659 /nfs/dbraw/zinc/96/96/59/568969659.db2.gz XFZLTWGMYZGYIG-UHFFFAOYSA-N -1 1 410.495 3.531 50 0 HHAAMM Cc1cc(S(N)(=O)=O)cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000008111480 568974052 /nfs/dbraw/zinc/97/40/52/568974052.db2.gz TVOMVTIEFMNBIB-UHFFFAOYSA-N -1 1 422.572 3.799 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3cccc(Br)c3)no2)n1 ZINC000008204925 568982601 /nfs/dbraw/zinc/98/26/01/568982601.db2.gz SRLYOQDYRDSKJV-UHFFFAOYSA-N -1 1 407.293 3.827 50 0 HHAAMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1 ZINC000008286889 568987602 /nfs/dbraw/zinc/98/76/02/568987602.db2.gz HMNIHSFAHOBWRV-UHFFFAOYSA-N -1 1 410.451 3.777 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)cc1 ZINC000015870292 569017236 /nfs/dbraw/zinc/01/72/36/569017236.db2.gz JLTIESVHFNELAT-UHFFFAOYSA-N -1 1 405.501 3.700 50 0 HHAAMM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000035378152 569034298 /nfs/dbraw/zinc/03/42/98/569034298.db2.gz OLCWDFOKYDFILA-UHFFFAOYSA-N -1 1 401.513 3.522 50 0 HHAAMM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000229686271 569040602 /nfs/dbraw/zinc/04/06/02/569040602.db2.gz JKPNAPSLYBTZHJ-IERDGZPVSA-N -1 1 408.454 3.669 50 0 HHAAMM COc1ccc(N2OC3=C([O-])N(c4ccccc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239164965 569054010 /nfs/dbraw/zinc/05/40/10/569054010.db2.gz NFRIQTUVSBIGGV-BDTNDASRSA-N -1 1 400.434 3.746 50 0 HHAAMM COC(=O)[N-]C(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Br)s1 ZINC000016689830 569070540 /nfs/dbraw/zinc/07/05/40/569070540.db2.gz RHBLMKARYLMXBW-UHFFFAOYSA-N -1 1 417.306 3.937 50 0 HHAAMM CCCCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC)cc1 ZINC000064843965 569107851 /nfs/dbraw/zinc/10/78/51/569107851.db2.gz MZVMQUJSPOHAMC-UHFFFAOYSA-N -1 1 405.520 3.769 50 0 HHAAMM CCc1ccccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000006818489 569138468 /nfs/dbraw/zinc/13/84/68/569138468.db2.gz QQPCLUQOBGBAGQ-IBGZPJMESA-N -1 1 400.525 3.969 50 0 HHAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1 ZINC000065021276 569154369 /nfs/dbraw/zinc/15/43/69/569154369.db2.gz QRJJKFMDPHBNDZ-UHFFFAOYSA-N -1 1 412.511 3.724 50 0 HHAAMM Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000007051245 569213479 /nfs/dbraw/zinc/21/34/79/569213479.db2.gz HVUISARYLARWRL-UHFFFAOYSA-N -1 1 410.451 3.746 50 0 HHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC000007054475 569214314 /nfs/dbraw/zinc/21/43/14/569214314.db2.gz BLAVTDXTPPQOAC-INIZCTEOSA-N -1 1 422.572 3.525 50 0 HHAAMM CCCCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)c(CC)c(=O)[n-]2)cc1 ZINC000007421775 569237620 /nfs/dbraw/zinc/23/76/20/569237620.db2.gz OKGGKUMQAFHUMV-UHFFFAOYSA-N -1 1 409.490 3.566 50 0 HHAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000014198801 569258962 /nfs/dbraw/zinc/25/89/62/569258962.db2.gz BUBCJWPFHHGYAX-UHFFFAOYSA-N -1 1 404.398 3.876 50 0 HHAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCSc2ccccc2)cc1 ZINC000014226395 569259057 /nfs/dbraw/zinc/25/90/57/569259057.db2.gz GUNUUCMGDAMSDX-UHFFFAOYSA-N -1 1 414.556 3.915 50 0 HHAAMM Cc1ccc(-c2cnoc2NC(=O)CSc2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000016841394 569264538 /nfs/dbraw/zinc/26/45/38/569264538.db2.gz NRNDMBZAQRJQGG-UHFFFAOYSA-N -1 1 419.466 3.526 50 0 HHAAMM COC(=O)[C@@H]1[C@@H](c2ccc(SC)cc2)c2c(=O)[n-]n(-c3ccccc3)c2C[C@]1(C)O ZINC000252515322 569292184 /nfs/dbraw/zinc/29/21/84/569292184.db2.gz IRXHRWZNTUIOGA-LEDOBFOHSA-N -1 1 424.522 3.528 50 0 HHAAMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013069250 569408432 /nfs/dbraw/zinc/40/84/32/569408432.db2.gz AIHFWXOCBPJKAG-UHFFFAOYSA-N -1 1 416.421 3.868 50 0 HHAAMM Cc1cc([C@@](C)(O)CNC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c(C)o1 ZINC000078939817 569421860 /nfs/dbraw/zinc/42/18/60/569421860.db2.gz MKEPFVNONGWPIP-NRFANRHFSA-N -1 1 414.531 3.540 50 0 HHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCOC[C@@H]2c2ccccc2)cc1 ZINC000078986874 569422868 /nfs/dbraw/zinc/42/28/68/569422868.db2.gz UDDKQIQPGKJZTQ-LJQANCHMSA-N -1 1 424.526 3.606 50 0 HHAAMM O=C(Nc1ccccn1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067293242 571069044 /nfs/dbraw/zinc/06/90/44/571069044.db2.gz UZHYKOCPIUHKFT-GYHWCHFESA-N -1 1 401.378 3.747 50 0 HHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1cccc(O)c1 ZINC000009052656 571216503 /nfs/dbraw/zinc/21/65/03/571216503.db2.gz NFCXFDACSJXAFA-UHFFFAOYSA-N -1 1 403.390 3.889 50 0 biogenic HHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccc(O)c1 ZINC000009052656 571216504 /nfs/dbraw/zinc/21/65/04/571216504.db2.gz NFCXFDACSJXAFA-UHFFFAOYSA-N -1 1 403.390 3.889 50 0 biogenic HHAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCC2)cc1 ZINC000009119195 571224875 /nfs/dbraw/zinc/22/48/75/571224875.db2.gz RCZQJUKDHAAFBN-UHFFFAOYSA-N -1 1 419.934 3.868 50 0 HHAAMM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1nnn[n-]1)occ3-c1ccccc1 ZINC000009184269 571234711 /nfs/dbraw/zinc/23/47/11/571234711.db2.gz QWOZKFLYDDYLLS-UHFFFAOYSA-N -1 1 415.409 3.599 50 0 HHAAMM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1nn[n-]n1)occ3-c1ccccc1 ZINC000009184269 571234712 /nfs/dbraw/zinc/23/47/12/571234712.db2.gz QWOZKFLYDDYLLS-UHFFFAOYSA-N -1 1 415.409 3.599 50 0 HHAAMM CC[C@@H](C(=O)Nc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O)c1ccccc1 ZINC000009202932 571236358 /nfs/dbraw/zinc/23/63/58/571236358.db2.gz SOJXAZCKQXYYKD-GOSISDBHSA-N -1 1 401.470 3.861 50 0 HHAAMM CCCn1c(=O)cc([O-])nc1SCC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000009317075 571247647 /nfs/dbraw/zinc/24/76/47/571247647.db2.gz HQDWZGSDGGRYJK-UHFFFAOYSA-N -1 1 417.556 3.862 50 0 HHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCc1ccc(F)cc1 ZINC000009476816 571261627 /nfs/dbraw/zinc/26/16/27/571261627.db2.gz FZNSUHRJUUEMGO-UHFFFAOYSA-N -1 1 419.408 4.000 50 0 HHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(F)cc1 ZINC000009476816 571261629 /nfs/dbraw/zinc/26/16/29/571261629.db2.gz FZNSUHRJUUEMGO-UHFFFAOYSA-N -1 1 419.408 4.000 50 0 HHAAMM O=C(C=C1SC(=O)[N-]C1=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000096905121 969054630 /nfs/dbraw/zinc/05/46/30/969054630.db2.gz IFLQXHYOVVYAQQ-BJMVGYQFSA-N -1 1 414.295 3.846 50 0 HHAAMM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000001141578 557204452 /nfs/dbraw/zinc/20/44/52/557204452.db2.gz JQOLZRZVQBZVHV-UHFFFAOYSA-N -1 1 404.271 3.736 50 0 HHAAMM CCOc1ccc(NC(=S)N2[C@@H](C(=O)[O-])Cc3nc[nH]c3[C@H]2c2ccccc2)cc1 ZINC000022628251 557271472 /nfs/dbraw/zinc/27/14/72/557271472.db2.gz XZAMAKCMQACMRJ-UYAOXDASSA-N -1 1 422.510 3.606 50 0 HHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2)cc1 ZINC000010556656 557542059 /nfs/dbraw/zinc/54/20/59/557542059.db2.gz LVARHGZKFMVAPU-UHFFFAOYSA-N -1 1 417.512 3.903 50 0 HHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000006196237 557693762 /nfs/dbraw/zinc/69/37/62/557693762.db2.gz ZKBAFHYUKSEBGB-UHFFFAOYSA-N -1 1 415.496 3.760 50 0 HHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C(C(=O)OC)=C(C)N2 ZINC000008133005 557773229 /nfs/dbraw/zinc/77/32/29/557773229.db2.gz YVQKEBBOGRZQPO-OAHLLOKOSA-N -1 1 403.479 3.806 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1)C(C(=O)OCC)=C(C)N2 ZINC000009569597 557845678 /nfs/dbraw/zinc/84/56/78/557845678.db2.gz AFLYXMDSYOOMJV-INIZCTEOSA-N -1 1 415.515 3.675 50 0 HHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1)C(C(=O)OC)=C(C)N2 ZINC000009569591 557845727 /nfs/dbraw/zinc/84/57/27/557845727.db2.gz QJHOGGHSMAATJU-INIZCTEOSA-N -1 1 415.515 3.675 50 0 HHAAMM O=C(C=C1SC(=O)[N-]C1=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000012492136 558423707 /nfs/dbraw/zinc/42/37/07/558423707.db2.gz ZVCJVNVCYYHWGB-WZUFQYTHSA-N -1 1 414.295 3.846 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCOCC3CC3)cc2)c1C ZINC000012631346 558442104 /nfs/dbraw/zinc/44/21/04/558442104.db2.gz GLDZVHFRFPANFM-UHFFFAOYSA-N -1 1 416.543 3.651 50 0 HHAAMM O=S(=O)([N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1 ZINC000012815963 558475273 /nfs/dbraw/zinc/47/52/73/558475273.db2.gz RGBQQXWTVLRPMS-UHFFFAOYSA-N -1 1 404.442 3.751 50 0 HHAAMM O=C(c1ccc(S(=O)(=O)[N-]C2CC2)o1)N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000070015335 558682365 /nfs/dbraw/zinc/68/23/65/558682365.db2.gz ASLXSSADKNAVPA-IBGZPJMESA-N -1 1 424.522 3.721 50 0 HHAAMM CCc1c(C)sc2[n-]c(=S)n(NC(=O)COc3ccc(C)cc3C)c(=O)c21 ZINC000017082726 558814919 /nfs/dbraw/zinc/81/49/19/558814919.db2.gz DVQXSORMGMRQAM-UHFFFAOYSA-N -1 1 403.529 3.757 50 0 HHAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000017088605 558817465 /nfs/dbraw/zinc/81/74/65/558817465.db2.gz ZKVDLVPNACSEIL-UHFFFAOYSA-N -1 1 410.561 3.517 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)n1 ZINC000018119207 558831514 /nfs/dbraw/zinc/83/15/14/558831514.db2.gz BVVBTLBMCQSHDJ-UHFFFAOYSA-N -1 1 403.838 3.621 50 0 HHAAMM O=S(=O)([N-]c1ccc(-c2noc(-c3cnccn3)n2)cc1)c1ccc(Cl)cc1 ZINC000033276495 559036221 /nfs/dbraw/zinc/03/62/21/559036221.db2.gz DVKKPOGEZCWAHT-UHFFFAOYSA-N -1 1 413.846 3.648 50 0 HHAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000095630003 559087776 /nfs/dbraw/zinc/08/77/76/559087776.db2.gz VGAJYRKEVKPHAO-VSKRKVRLSA-N -1 1 400.434 3.746 50 0 HHAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)cn2n1 ZINC000011693581 559187944 /nfs/dbraw/zinc/18/79/44/559187944.db2.gz YEPCWCRNHGURBD-UHFFFAOYSA-N -1 1 408.483 3.823 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)cc1F ZINC000005084111 559242327 /nfs/dbraw/zinc/24/23/27/559242327.db2.gz WKAYTFSGMXFZRA-UHFFFAOYSA-N -1 1 405.476 3.604 50 0 HHAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc3c2N1CCC3 ZINC000005154213 559253447 /nfs/dbraw/zinc/25/34/47/559253447.db2.gz YGMDWTQUJXUHTB-UHFFFAOYSA-N -1 1 410.417 3.732 50 0 HHAAMM CCOC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000011855376 559262353 /nfs/dbraw/zinc/26/23/53/559262353.db2.gz PATXTJXGWSZAMA-UHFFFAOYSA-N -1 1 407.455 3.920 50 0 HHAAMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1N1CCCC1=O ZINC000005329301 560565612 /nfs/dbraw/zinc/56/56/12/560565612.db2.gz HPPNKLRIHIVKCK-UHFFFAOYSA-N -1 1 409.305 3.685 50 0 HHAAMM O=S(=O)([N-]c1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)cc1 ZINC000005602483 560629373 /nfs/dbraw/zinc/62/93/73/560629373.db2.gz WGQLWVBPBFQTGO-UHFFFAOYSA-N -1 1 409.920 3.587 50 0 HHAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)cc1 ZINC000017269608 560706544 /nfs/dbraw/zinc/70/65/44/560706544.db2.gz OOKJKXGZAHOJCK-UHFFFAOYSA-N -1 1 415.515 3.525 50 0 HHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000017304300 560707084 /nfs/dbraw/zinc/70/70/84/560707084.db2.gz YVSHNCDURIMUSS-UHFFFAOYSA-N -1 1 406.467 3.924 50 0 HHAAMM Cc1cc(=O)n2c(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)csc2n1 ZINC000011696404 560773952 /nfs/dbraw/zinc/77/39/52/560773952.db2.gz WBRYZINJFOZSMC-UHFFFAOYSA-N -1 1 415.471 3.671 50 0 HHAAMM COc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101828295 560802741 /nfs/dbraw/zinc/80/27/41/560802741.db2.gz XEXMCBWSAWTVDF-UHFFFAOYSA-N -1 1 424.460 3.757 50 0 HHAAMM Cc1ccc(CN(C(=O)c2cccc(Cl)c2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860849 560804126 /nfs/dbraw/zinc/80/41/26/560804126.db2.gz NEGXTLLBLLVOBO-UHFFFAOYSA-N -1 1 421.888 3.843 50 0 HHAAMM O=C(Cc1cccs1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012128883 560889850 /nfs/dbraw/zinc/88/98/50/560889850.db2.gz DBJFJYCNCVFEAZ-UHFFFAOYSA-N -1 1 417.494 3.743 50 0 HHAAMM CCCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000024765885 568461894 /nfs/dbraw/zinc/46/18/94/568461894.db2.gz JFWNPWSWDKQORM-UHFFFAOYSA-N -1 1 404.488 3.777 50 0 HHAAMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000095459653 568619830 /nfs/dbraw/zinc/61/98/30/568619830.db2.gz RXRJEJPLFWWCGJ-UHFFFAOYSA-N -1 1 423.853 3.687 50 0 HHAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)OCO3)[nH]c1c2C(=O)CCC1 ZINC000020990513 568655829 /nfs/dbraw/zinc/65/58/29/568655829.db2.gz QWFQXCGUZYOADL-UHFFFAOYSA-N -1 1 412.467 3.779 50 0 HHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)cc1 ZINC000021032683 568659434 /nfs/dbraw/zinc/65/94/34/568659434.db2.gz CZYJEAUZBMMVPY-UHFFFAOYSA-N -1 1 400.456 3.936 50 0 HHAAMM O=C1C[C@@H](c2ccncc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096114079 568693728 /nfs/dbraw/zinc/69/37/28/568693728.db2.gz AKKAXDSVHZVKEX-HNNXBMFYSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccncc1)CC(=O)O2 ZINC000096114079 568693730 /nfs/dbraw/zinc/69/37/30/568693730.db2.gz AKKAXDSVHZVKEX-HNNXBMFYSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000001104233 568771902 /nfs/dbraw/zinc/77/19/02/568771902.db2.gz SHGUKMCFKRELJD-UHFFFAOYSA-N -1 1 400.431 3.887 50 0 HHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1 ZINC000012604522 568870550 /nfs/dbraw/zinc/87/05/50/568870550.db2.gz GYBOEOFRMBIJIN-UHFFFAOYSA-N -1 1 408.907 3.776 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)cc1 ZINC000012604794 568870874 /nfs/dbraw/zinc/87/08/74/568870874.db2.gz NKBYQCISZYIWGH-UHFFFAOYSA-N -1 1 404.532 3.649 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)Cc1ccco1 ZINC000012756900 568944316 /nfs/dbraw/zinc/94/43/16/568944316.db2.gz ZJJNNLIFWHIMLJ-UHFFFAOYSA-N -1 1 402.447 3.800 50 0 HHAAMM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000012784221 568959151 /nfs/dbraw/zinc/95/91/51/568959151.db2.gz ZSYLESSPOQIXAM-UHFFFAOYSA-N -1 1 418.446 3.623 50 0 HHAAMM COc1ccccc1[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008195454 568982308 /nfs/dbraw/zinc/98/23/08/568982308.db2.gz FHCHCZRRZYFQHN-INIZCTEOSA-N -1 1 410.495 3.987 50 0 HHAAMM CCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)[O-] ZINC000008466462 569004300 /nfs/dbraw/zinc/00/43/00/569004300.db2.gz KXXOTNJWCWBKIT-UHFFFAOYSA-N -1 1 410.426 3.555 50 0 biogenic HHAAMM Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000015881348 569018498 /nfs/dbraw/zinc/01/84/98/569018498.db2.gz HTJZJPXUJWFBKZ-UHFFFAOYSA-N -1 1 404.257 3.724 50 0 HHAAMM O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)[N-]Cc2cccs2)o1 ZINC000035597501 569045786 /nfs/dbraw/zinc/04/57/86/569045786.db2.gz WUWYUYVVBOJWQA-UHFFFAOYSA-N -1 1 419.509 3.682 50 0 HHAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2C1=O ZINC000065241558 569201817 /nfs/dbraw/zinc/20/18/17/569201817.db2.gz MDCXJPOIKXFGFB-UHFFFAOYSA-N -1 1 409.467 3.963 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1C ZINC000007054480 569214334 /nfs/dbraw/zinc/21/43/34/569214334.db2.gz OSYJOJKCHNKEJJ-OAHLLOKOSA-N -1 1 422.572 3.525 50 0 HHAAMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000007360451 569235055 /nfs/dbraw/zinc/23/50/55/569235055.db2.gz VJQUGQPQOXSIIR-UHFFFAOYSA-N -1 1 410.495 3.768 50 0 HHAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000007419843 569237373 /nfs/dbraw/zinc/23/73/73/569237373.db2.gz MWNFJEURAVIMHT-UHFFFAOYSA-N -1 1 413.481 3.597 50 0 HHAAMM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007726678 569303443 /nfs/dbraw/zinc/30/34/43/569303443.db2.gz VNQQVISTQUXWMZ-UHFFFAOYSA-N -1 1 400.378 3.513 50 0 HHAAMM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1cccc(OC(F)(F)F)c1 ZINC000040062883 571147576 /nfs/dbraw/zinc/14/75/76/571147576.db2.gz CSUVEAXATKQFGI-MRXNPFEDSA-N -1 1 417.405 3.944 50 0 HHAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000008977172 571198161 /nfs/dbraw/zinc/19/81/61/571198161.db2.gz ZOLKLXBPRYRPKJ-UHFFFAOYSA-N -1 1 416.886 3.932 50 0 HHAAMM O=C(c1ccccc1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000008977457 571198163 /nfs/dbraw/zinc/19/81/63/571198163.db2.gz OYKLFUNDXGVNIU-UHFFFAOYSA-N -1 1 410.470 3.825 50 0 HHAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009166263 571232710 /nfs/dbraw/zinc/23/27/10/571232710.db2.gz FRHKLSRXNXASJS-UHFFFAOYSA-N -1 1 402.516 3.876 50 0 HHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000009167462 571233220 /nfs/dbraw/zinc/23/32/20/571233220.db2.gz OQDFKDANBPZBQB-UHFFFAOYSA-N -1 1 406.479 3.788 50 0 HHAAMM CCN1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000009170552 571233630 /nfs/dbraw/zinc/23/36/30/571233630.db2.gz WDNUWYKBSVQPJJ-UHFFFAOYSA-N -1 1 408.907 3.912 50 0 HHAAMM O=C(Nc1cccnc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000009548797 571267911 /nfs/dbraw/zinc/26/79/11/571267911.db2.gz KKNQAECKLWZPRN-UHFFFAOYSA-N -1 1 405.838 3.927 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)cc1 ZINC000009612539 571273761 /nfs/dbraw/zinc/27/37/61/571273761.db2.gz XNPOHCNDXFGPDS-UHFFFAOYSA-N -1 1 417.874 3.797 50 0 HHAAMM CCc1ccc(OCCSc2nc(-c3ccc(OC)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000009641287 571275862 /nfs/dbraw/zinc/27/58/62/571275862.db2.gz TZFYDYVSJBCIQD-UHFFFAOYSA-N -1 1 422.510 3.827 50 0 HHAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000009931538 571290881 /nfs/dbraw/zinc/29/08/81/571290881.db2.gz KPAFCNXCULLUIL-OAHLLOKOSA-N -1 1 412.433 3.902 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000006177173 960865548 /nfs/dbraw/zinc/86/55/48/960865548.db2.gz AHYQFFABPUMLCE-MRXNPFEDSA-N -1 1 410.495 3.987 50 0 HHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)ccc1Br ZINC000479547569 999471431 /nfs/dbraw/zinc/47/14/31/999471431.db2.gz SCPNOVPLLWMHCJ-UHFFFAOYSA-N -1 1 410.293 3.536 50 0 HHAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)c1 ZINC000008601019 132331311 /nfs/dbraw/zinc/33/13/11/132331311.db2.gz KMYJCBRBMDUORZ-UHFFFAOYSA-N -1 1 400.500 3.575 50 0 HHAAMM C[C@H](c1ccccc1)N1C(=O)[N-]C(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009111257 132336007 /nfs/dbraw/zinc/33/60/07/132336007.db2.gz BAEMMJSJZNOQOZ-CPJLOUKISA-N -1 1 413.477 3.658 50 0 HHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000000852558 557101646 /nfs/dbraw/zinc/10/16/46/557101646.db2.gz KOWLSDKSWCZBII-UHFFFAOYSA-N -1 1 406.467 3.989 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1I ZINC000001111103 557183747 /nfs/dbraw/zinc/18/37/47/557183747.db2.gz BIYLPQZWDYWZPP-UHFFFAOYSA-N -1 1 423.659 3.754 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)cc1C ZINC000001431477 557262381 /nfs/dbraw/zinc/26/23/81/557262381.db2.gz VCKVCKCUFDNURC-UHFFFAOYSA-N -1 1 424.522 3.777 50 0 biogenic HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCCCOC(C)C)cc2)cc1 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O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000010657317 558894380 /nfs/dbraw/zinc/89/43/80/558894380.db2.gz WNZREQYNSHCOIG-UHFFFAOYSA-N -1 1 410.286 3.783 50 0 HHAAMM COc1cc(O)ccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000021784767 558949897 /nfs/dbraw/zinc/94/98/97/558949897.db2.gz YMBVZECLUYWJER-INIZCTEOSA-N -1 1 423.494 3.559 50 0 HHAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2s1 ZINC000033298928 559048132 /nfs/dbraw/zinc/04/81/32/559048132.db2.gz GQKCLFWDOWOLEF-UHFFFAOYSA-N -1 1 410.542 3.508 50 0 HHAAMM CC(C)CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000096319088 559109881 /nfs/dbraw/zinc/10/98/81/559109881.db2.gz BCHSINVHCSEWHZ-UHFFFAOYSA-N -1 1 402.850 3.805 50 0 HHAAMM COC(=O)[C@@H]1[C@@H](c2ccc(SC)cc2)c2c(=O)[n-]n(-c3ccccc3)c2C[C@@]1(C)O ZINC000226760421 559273837 /nfs/dbraw/zinc/27/38/37/559273837.db2.gz IRXHRWZNTUIOGA-GREBRCKQSA-N -1 1 424.522 3.528 50 0 HHAAMM CCCCOC(=O)c1cc(-c2ccc(/C=C3\NC(=S)[N-]C3=O)o2)ccc1Cl ZINC000005172143 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O=C(Nc1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000012507948 568839952 /nfs/dbraw/zinc/83/99/52/568839952.db2.gz YEGKXITZJMBFIY-UHFFFAOYSA-N -1 1 424.438 3.566 50 0 HHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000012521117 568841553 /nfs/dbraw/zinc/84/15/53/568841553.db2.gz DVZLRSRQJCWUDR-MRXNPFEDSA-N -1 1 402.516 3.758 50 0 HHAAMM O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000012520873 568841567 /nfs/dbraw/zinc/84/15/67/568841567.db2.gz WMDYPFVKSNMHTA-UHFFFAOYSA-N -1 1 405.419 3.913 50 0 HHAAMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000012536010 568845387 /nfs/dbraw/zinc/84/53/87/568845387.db2.gz WLVCKDFBIJHRJD-UHFFFAOYSA-N -1 1 416.524 3.943 50 0 HHAAMM CCN(CCNC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1cccc(C)c1 ZINC000012549708 568852085 /nfs/dbraw/zinc/85/20/85/568852085.db2.gz XMKINWNQSYMXDX-UHFFFAOYSA-N -1 1 401.561 3.620 50 0 HHAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1 ZINC000003234980 568865496 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HHAAMM CCOc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc1 ZINC000104556076 569009081 /nfs/dbraw/zinc/00/90/81/569009081.db2.gz WNYIEJZEOGQMMJ-LJQANCHMSA-N -1 1 404.938 3.513 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(C)=O)nc3c2)cc1Cl ZINC000015870121 569017176 /nfs/dbraw/zinc/01/71/76/569017176.db2.gz PQBYYVVPBDLKGT-UHFFFAOYSA-N -1 1 411.892 3.718 50 0 HHAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)ccc2s1 ZINC000015870064 569017194 /nfs/dbraw/zinc/01/71/94/569017194.db2.gz DXMLCLQSGFIQRH-UHFFFAOYSA-N -1 1 403.485 3.648 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1 ZINC000012936240 569027044 /nfs/dbraw/zinc/02/70/44/569027044.db2.gz KYWGMERXWHTAEV-UHFFFAOYSA-N -1 1 422.485 3.853 50 0 HHAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCC4CC4)CC2)nc3=O)c1 ZINC000064611808 569074457 /nfs/dbraw/zinc/07/44/57/569074457.db2.gz LNSZVHIELKVADZ-UHFFFAOYSA-N -1 1 422.554 3.703 50 0 HHAAMM Cc1nc2[n-]c(N(Cc3ccccc3Cl)C(=O)C3CCCCC3)nn2c(=O)c1C ZINC000064791828 569095753 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Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[n-]c(=O)c1C ZINC000011854968 559262323 /nfs/dbraw/zinc/26/23/23/559262323.db2.gz VGPUJYVZJJRZJM-UHFFFAOYSA-N -1 1 423.473 3.621 50 0 HHAAMM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000101077781 560771303 /nfs/dbraw/zinc/77/13/03/560771303.db2.gz ODAQEXPEXRLXOF-BDTNDASRSA-N -1 1 400.434 3.746 50 0 HHAAMM CC(=O)N(Cc1ccccc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1Cl)c2=O ZINC000101416852 560794699 /nfs/dbraw/zinc/79/46/99/560794699.db2.gz QSLRVCYPQKYXOM-UHFFFAOYSA-N -1 1 421.888 3.523 50 0 HHAAMM COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013345482 560804777 /nfs/dbraw/zinc/80/47/77/560804777.db2.gz UNUWOBOHSIRRLW-UHFFFAOYSA-N -1 1 420.668 3.610 50 0 HHAAMM CCCCOc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)cc(=O)[n-]2)cc1 ZINC000012123160 560889429 /nfs/dbraw/zinc/88/94/29/560889429.db2.gz NUZYWJAFLXJXHT-UHFFFAOYSA-N -1 1 407.474 3.573 50 0 HHAAMM COc1ccc(CCC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000012126600 560889722 /nfs/dbraw/zinc/88/97/22/560889722.db2.gz RZFGEDBSYYKQNK-UHFFFAOYSA-N -1 1 421.501 3.536 50 0 HHAAMM O=S(=O)(Nc1cc(Cl)cc(Br)c1O)c1cccc(Cl)c1[O-] ZINC000549719284 568278213 /nfs/dbraw/zinc/27/82/13/568278213.db2.gz YIOGFPAUHZNPBH-UHFFFAOYSA-N -1 1 413.076 3.968 50 0 HHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074260 568426708 /nfs/dbraw/zinc/42/67/08/568426708.db2.gz CZJNJIRQKNETHP-LBPRGKRZSA-N -1 1 420.922 3.688 50 0 HHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074263 568426810 /nfs/dbraw/zinc/42/68/10/568426810.db2.gz CZJNJIRQKNETHP-GFCCVEGCSA-N -1 1 420.922 3.688 50 0 HHAAMM O=S(=O)([N-]C1CCN(c2nc3ccccc3s2)CC1)c1cc(F)ccc1F ZINC000048312703 568438988 /nfs/dbraw/zinc/43/89/88/568438988.db2.gz NAQWMURPZKBUOV-UHFFFAOYSA-N -1 1 409.483 3.522 50 0 HHAAMM O=c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cn1Cc1ccccc1Cl ZINC000048364124 568441755 /nfs/dbraw/zinc/44/17/55/568441755.db2.gz CTCZKDQJIPAZON-UHFFFAOYSA-N -1 1 410.829 3.629 50 0 HHAAMM CCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[n-]2)C1 ZINC000049421408 568450566 /nfs/dbraw/zinc/45/05/66/568450566.db2.gz VPWXUIUIDWBZQP-HNNXBMFYSA-N -1 1 410.543 3.703 50 0 HHAAMM CCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000049421240 568450590 /nfs/dbraw/zinc/45/05/90/568450590.db2.gz JZWNKAMQSYMPMU-MRXNPFEDSA-N -1 1 410.543 3.703 50 0 HHAAMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000095475769 568630059 /nfs/dbraw/zinc/63/00/59/568630059.db2.gz ROVZRJCMCYUVJE-UHFFFAOYSA-N -1 1 404.377 3.990 50 0 HHAAMM COc1cccc2c1Oc1nc(-c3cc(Br)ccc3O)[n-]c(=O)c1C2 ZINC000020901828 568650047 /nfs/dbraw/zinc/65/00/47/568650047.db2.gz DELVAPMFNUVBOR-UHFFFAOYSA-N -1 1 401.216 3.610 50 0 HHAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc3c(c2)OCCO3)S1 ZINC000096117327 568696601 /nfs/dbraw/zinc/69/66/01/568696601.db2.gz GWUINYOZTVCKKI-RDTXWAMCSA-N -1 1 415.515 3.964 50 0 HHAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc3c(c2)OCCO3)S1 ZINC000096117325 568696773 /nfs/dbraw/zinc/69/67/73/568696773.db2.gz GWUINYOZTVCKKI-KDOFPFPSSA-N -1 1 415.515 3.964 50 0 HHAAMM CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000058433796 568699702 /nfs/dbraw/zinc/69/97/02/568699702.db2.gz LNMQUSNJVPZSGY-UHFFFAOYSA-N -1 1 414.277 3.655 50 0 HHAAMM Cc1csc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000021482813 568704202 /nfs/dbraw/zinc/70/42/02/568704202.db2.gz IOMLLYQLCHJGKZ-UHFFFAOYSA-N -1 1 419.503 3.630 50 0 HHAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000056223798 568795685 /nfs/dbraw/zinc/79/56/85/568795685.db2.gz BHRDGASALXLJBF-LLVKDONJSA-N -1 1 416.421 3.572 50 0 HHAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000005976300 568833430 /nfs/dbraw/zinc/83/34/30/568833430.db2.gz XPFRUAYEPHGIJQ-UHFFFAOYSA-N -1 1 408.785 3.998 50 0 HHAAMM CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000003373581 568891068 /nfs/dbraw/zinc/89/10/68/568891068.db2.gz MEUKQGAVLUMHPZ-UHFFFAOYSA-N -1 1 414.277 3.655 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]C(=O)N(c2n[nH]c(=S)s2)c2ccccc2)cc1 ZINC000004110144 568910004 /nfs/dbraw/zinc/91/00/04/568910004.db2.gz YEAGYPGDUOSPCT-UHFFFAOYSA-N -1 1 406.514 3.746 50 0 HHAAMM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004270395 568956733 /nfs/dbraw/zinc/95/67/33/568956733.db2.gz HOJLIYUFQHHUQD-UHFFFAOYSA-N -1 1 409.442 3.634 50 0 HHAAMM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000004270392 568956737 /nfs/dbraw/zinc/95/67/37/568956737.db2.gz LJVKEGLGCXHYMK-UHFFFAOYSA-N -1 1 409.442 3.634 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1N(C)C ZINC000015730555 568981212 /nfs/dbraw/zinc/98/12/12/568981212.db2.gz DGMDWMXFENSWDJ-CYBMUJFWSA-N -1 1 405.545 3.685 50 0 HHAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000012819261 568990901 /nfs/dbraw/zinc/99/09/01/568990901.db2.gz KQGSBCWPYQBWNM-UHFFFAOYSA-N -1 1 415.298 3.736 50 0 HHAAMM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000229689258 569040623 /nfs/dbraw/zinc/04/06/23/569040623.db2.gz JWKPIEFNBMOAQI-IERDGZPVSA-N -1 1 408.454 3.669 50 0 HHAAMM COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4c([O-])cc(C)cc4oc3=O)c2c1 ZINC000006624392 569075527 /nfs/dbraw/zinc/07/55/27/569075527.db2.gz AHMSRCXKIHVSAT-UHFFFAOYSA-N -1 1 420.465 3.507 50 0 biogenic HHAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000006641903 569078166 /nfs/dbraw/zinc/07/81/66/569078166.db2.gz FPZGCHXNMYNQPY-UHFFFAOYSA-N -1 1 405.406 3.601 50 0 HHAAMM Cc1nc2[n-]c(N(Cc3ccccc3Cl)C(=O)c3ccccc3)nn2c(=O)c1C ZINC000064791804 569095883 /nfs/dbraw/zinc/09/58/83/569095883.db2.gz MCVHTJWFYIXNRL-UHFFFAOYSA-N -1 1 407.861 3.535 50 0 HHAAMM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Br)s2)o1 ZINC000064920018 569120989 /nfs/dbraw/zinc/12/09/89/569120989.db2.gz JLCYEQBPRRKYGK-UHFFFAOYSA-N -1 1 414.306 3.978 50 0 HHAAMM COc1cc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(OC)c1OC ZINC000006929728 569183962 /nfs/dbraw/zinc/18/39/62/569183962.db2.gz JVVJDLVEGRZQQK-UHFFFAOYSA-N -1 1 416.499 3.873 50 0 HHAAMM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065186555 569192229 /nfs/dbraw/zinc/19/22/29/569192229.db2.gz JDAHMQQXLUHDFN-UHFFFAOYSA-N -1 1 404.467 3.818 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1F ZINC000013696542 569257142 /nfs/dbraw/zinc/25/71/42/569257142.db2.gz JAKQDDYLDPJHIE-UHFFFAOYSA-N -1 1 420.506 3.960 50 0 HHAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1c(C)cc(C)cc1C ZINC000016981214 569270340 /nfs/dbraw/zinc/27/03/40/569270340.db2.gz YGEPINSFQQHLSF-UHFFFAOYSA-N -1 1 407.518 3.686 50 0 HHAAMM COc1ccc(C(=O)CSc2nc(O)c(Cc3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000575443919 569277889 /nfs/dbraw/zinc/27/78/89/569277889.db2.gz WZZWLTITHUHXKB-UHFFFAOYSA-N -1 1 400.431 3.601 50 0 HHAAMM COc1ccc(N2OC3=C([O-])N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000135716411 569359338 /nfs/dbraw/zinc/35/93/38/569359338.db2.gz NFRIQTUVSBIGGV-VSKRKVRLSA-N -1 1 400.434 3.746 50 0 HHAAMM Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cn1 ZINC000253410089 569366572 /nfs/dbraw/zinc/36/65/72/569366572.db2.gz MVLZRHJIQUMZRO-AWEZNQCLSA-N -1 1 422.824 3.994 50 0 biogenic HHAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cc(F)cc(F)c1 ZINC000067298639 571072679 /nfs/dbraw/zinc/07/26/79/571072679.db2.gz PXRVYIWYVQEKOE-PVCXERSVSA-N -1 1 400.381 3.558 50 0 HHAAMM O=C(CSc1nc(-c2cccs2)nc2cc(=O)[n-]n21)Nc1ccccc1Cl ZINC000008673349 571100700 /nfs/dbraw/zinc/10/07/00/571100700.db2.gz ZXDWUGLWNRDYMM-UHFFFAOYSA-N -1 1 417.903 3.530 50 0 HHAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(Nc3ccccc3C)nc2[O-])cc1 ZINC000008846146 571125741 /nfs/dbraw/zinc/12/57/41/571125741.db2.gz AHFLFIVJCFQPGB-KRWDZBQOSA-N -1 1 411.483 3.610 50 0 HHAAMM CCCCN1C(=O)C(=C(CC)NN2CCCC[C@@H]2c2cccnc2)C(=O)[N-]C1=S ZINC000008914493 571150577 /nfs/dbraw/zinc/15/05/77/571150577.db2.gz KLIVFQNIEUVTIW-GROYHEBESA-N -1 1 415.563 3.661 50 0 HHAAMM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000040090259 571160521 /nfs/dbraw/zinc/16/05/21/571160521.db2.gz OATJDXCJNMVFQS-UHFFFAOYSA-N -1 1 413.455 3.500 50 0 HHAAMM CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000009139705 571230024 /nfs/dbraw/zinc/23/00/24/571230024.db2.gz PELSKNGJYIRBMD-UHFFFAOYSA-N -1 1 420.541 3.703 50 0 HHAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000009166224 571232679 /nfs/dbraw/zinc/23/26/79/571232679.db2.gz BAJQHFVNERTFFH-UHFFFAOYSA-N -1 1 408.907 3.912 50 0 HHAAMM CCCN1c2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2OCC(C)(C)C1=O ZINC000009171954 571234119 /nfs/dbraw/zinc/23/41/19/571234119.db2.gz ADHRTDCPVLEXRX-UHFFFAOYSA-N -1 1 406.479 3.788 50 0 HHAAMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000070008873 571253868 /nfs/dbraw/zinc/25/38/68/571253868.db2.gz VHQLQQXXYXPMED-UHFFFAOYSA-N -1 1 424.504 3.631 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)cc1OC ZINC000009572150 571269118 /nfs/dbraw/zinc/26/91/18/571269118.db2.gz XWVKJHSDFXUCLG-UHFFFAOYSA-N -1 1 424.482 3.523 50 0 HHAAMM CCc1ccc(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)cc1 ZINC000009640981 571275778 /nfs/dbraw/zinc/27/57/78/571275778.db2.gz XBHIVVXKCXRHSW-UHFFFAOYSA-N -1 1 410.474 3.957 50 0 HHAAMM CS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)cc1 ZINC000009707669 571280818 /nfs/dbraw/zinc/28/08/18/571280818.db2.gz VHKYTRRPCLMCFE-UHFFFAOYSA-N -1 1 418.283 3.761 50 0 HHAAMM O=C(NCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009724955 571282195 /nfs/dbraw/zinc/28/21/95/571282195.db2.gz WDYXWJAYAKZKFN-UHFFFAOYSA-N -1 1 420.412 3.835 50 0 HHAAMM Nc1cc(=O)[n-]c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000009835201 571287707 /nfs/dbraw/zinc/28/77/07/571287707.db2.gz BGKLLJUCBUSRJB-INIZCTEOSA-N -1 1 420.416 3.843 50 0 HHAAMM O=C([O-])c1cc(NCCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc21 ZINC000021650891 571314991 /nfs/dbraw/zinc/31/49/91/571314991.db2.gz DQHUZIHEGPIWTA-UHFFFAOYSA-N -1 1 408.477 3.696 50 0 HHAAMM CCCCCCn1c([O-])c(C(=O)Nc2ccccc2C(N)=O)c(=O)c2ccccc21 ZINC000005735015 960773131 /nfs/dbraw/zinc/77/31/31/960773131.db2.gz HJPPNQKSJQGDNW-UHFFFAOYSA-N -1 1 407.470 3.639 50 0 HHAAMM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000222078379 970100885 /nfs/dbraw/zinc/10/08/85/970100885.db2.gz TYXNDGSWPSLCEY-OQFOIZHKSA-N -1 1 414.439 3.612 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1 ZINC000002616459 132255714 /nfs/dbraw/zinc/25/57/14/132255714.db2.gz HREPGCYZUDQWFS-UHFFFAOYSA-N -1 1 414.449 3.960 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1F ZINC000005136582 132302749 /nfs/dbraw/zinc/30/27/49/132302749.db2.gz FGWXZGKKLAMCRH-UHFFFAOYSA-N -1 1 406.479 3.570 50 0 HHAAMM C[C@@H](c1ccccc1)N1C(=O)[N-]C(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009111256 132336002 /nfs/dbraw/zinc/33/60/02/132336002.db2.gz BAEMMJSJZNOQOZ-LMKMVOKYSA-N -1 1 413.477 3.658 50 0 HHAAMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012507952 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568778484 /nfs/dbraw/zinc/77/84/84/568778484.db2.gz UZUMWDHRRXLQNC-UHFFFAOYSA-N -1 1 417.487 3.943 50 0 HHAAMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O ZINC000012508608 568840076 /nfs/dbraw/zinc/84/00/76/568840076.db2.gz RNGWTJZMHPKEGG-UHFFFAOYSA-N -1 1 415.298 3.930 50 0 HHAAMM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1N1CCCC1=O ZINC000012583322 568865467 /nfs/dbraw/zinc/86/54/67/568865467.db2.gz UPTOCBUCDPOEMV-UHFFFAOYSA-N -1 1 409.305 3.685 50 0 HHAAMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000003365417 568889177 /nfs/dbraw/zinc/88/91/77/568889177.db2.gz LPFSIGQZWATYGD-UHFFFAOYSA-N -1 1 414.458 3.565 50 0 HHAAMM O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)cc2N1 ZINC000015728449 568979213 /nfs/dbraw/zinc/97/92/13/568979213.db2.gz AWRZGNJZWDNQDG-UHFFFAOYSA-N -1 1 401.469 3.577 50 0 HHAAMM COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)n2)cc1 ZINC000012932325 569024945 /nfs/dbraw/zinc/02/49/45/569024945.db2.gz MZTZAPPUSLUPTC-UHFFFAOYSA-N -1 1 416.528 3.504 50 0 HHAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000006316266 569040300 /nfs/dbraw/zinc/04/03/00/569040300.db2.gz FLMDTJIOGNKQNC-UHFFFAOYSA-N -1 1 422.572 3.785 50 0 HHAAMM COc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc(OC)c1OC ZINC000012988836 569047573 /nfs/dbraw/zinc/04/75/73/569047573.db2.gz HPSCYGIFGNZARH-UHFFFAOYSA-N -1 1 414.487 3.581 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)[nH]n3)ccc2C)c1 ZINC000036391132 569166219 /nfs/dbraw/zinc/16/62/19/569166219.db2.gz VZXLQMGKMXHDKT-UHFFFAOYSA-N -1 1 410.499 3.957 50 0 HHAAMM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000065115951 569179674 /nfs/dbraw/zinc/17/96/74/569179674.db2.gz PCCNEMVEFISLTE-UHFFFAOYSA-N -1 1 419.434 3.557 50 0 HHAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3cccc(C)c3)n2)cc1 ZINC000006915784 569180986 /nfs/dbraw/zinc/18/09/86/569180986.db2.gz BHTQWWKBNCXQNX-UHFFFAOYSA-N -1 1 408.483 3.573 50 0 HHAAMM CCc1ccc([N-]S(=O)(=O)c2c(C)c(-c3nnc(C4CC4)o3)n(C)c2C)cc1 ZINC000065186546 569192197 /nfs/dbraw/zinc/19/21/97/569192197.db2.gz LLKFCEVDECTUJE-UHFFFAOYSA-N -1 1 400.504 3.933 50 0 HHAAMM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c(C)n1C ZINC000065194181 569192652 /nfs/dbraw/zinc/19/26/52/569192652.db2.gz YLKZPTQOXQOALJ-UHFFFAOYSA-N -1 1 404.467 3.818 50 0 HHAAMM O=C(NCCCOC1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006988815 569195983 /nfs/dbraw/zinc/19/59/83/569195983.db2.gz MYNZERORFRFQFR-UHFFFAOYSA-N -1 1 416.543 3.957 50 0 HHAAMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007315728 569233225 /nfs/dbraw/zinc/23/32/25/569233225.db2.gz RIDUTRWBUKBSGG-FQEVSTJZSA-N -1 1 405.406 3.506 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(=O)N1CCCC1 ZINC000007361412 569235319 /nfs/dbraw/zinc/23/53/19/569235319.db2.gz IWGNDLLCELVSDK-UHFFFAOYSA-N -1 1 418.515 3.519 50 0 HHAAMM Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccn1 ZINC000238901740 571046591 /nfs/dbraw/zinc/04/65/91/571046591.db2.gz MJQGWYFYAQTZTH-NJYVYQBISA-N -1 1 403.413 3.580 50 0 HHAAMM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccn1 ZINC000238901740 571046594 /nfs/dbraw/zinc/04/65/94/571046594.db2.gz MJQGWYFYAQTZTH-NJYVYQBISA-N -1 1 403.413 3.580 50 0 HHAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(F)cc1F ZINC000067298621 571072480 /nfs/dbraw/zinc/07/24/80/571072480.db2.gz IFETWWVAASWUOG-MEFNAMQOSA-N -1 1 400.381 3.558 50 0 HHAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1O ZINC000008614093 571095398 /nfs/dbraw/zinc/09/53/98/571095398.db2.gz HIOZZIHHZYHTFN-HNNXBMFYSA-N -1 1 423.494 3.641 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2)cc1 ZINC000008720238 571106707 /nfs/dbraw/zinc/10/67/07/571106707.db2.gz CQRBCTPFMDGTPA-UHFFFAOYSA-N -1 1 424.478 3.951 50 0 HHAAMM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(N2c3ccccc3C[C@H]2C)n1 ZINC000039383701 571131665 /nfs/dbraw/zinc/13/16/65/571131665.db2.gz PSLBZDCIONENBM-MRXNPFEDSA-N -1 1 416.529 3.854 50 0 HHAAMM Cc1cnc(NC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)s1 ZINC000009135019 571229656 /nfs/dbraw/zinc/22/96/56/571229656.db2.gz MQBDYQJXIYWELJ-UHFFFAOYSA-N -1 1 408.435 3.948 50 0 biogenic HHAAMM Cc1cnc(NC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)s1 ZINC000009135019 571229659 /nfs/dbraw/zinc/22/96/59/571229659.db2.gz MQBDYQJXIYWELJ-UHFFFAOYSA-N -1 1 408.435 3.948 50 0 biogenic HHAAMM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2cc(Cl)ccc2Cl)c3=O)cc1 ZINC000010251479 571298232 /nfs/dbraw/zinc/29/82/32/571298232.db2.gz AEKBDTSPIUTDDQ-UHFFFAOYSA-N -1 1 414.252 3.581 50 0 HHAAMM C=CCn1c([O-])c(C(=O)Nc2ccccc2C(=O)OCCC)c(=O)c2ccccc21 ZINC000005738258 960774544 /nfs/dbraw/zinc/77/45/44/960774544.db2.gz VEMDRZUJPNQYDH-UHFFFAOYSA-N -1 1 406.438 3.712 50 0 HHAAMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000013057894 132453424 /nfs/dbraw/zinc/45/34/24/132453424.db2.gz DQWHENZTWCTMJQ-UHFFFAOYSA-N -1 1 400.422 3.651 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000003014061 557441480 /nfs/dbraw/zinc/44/14/80/557441480.db2.gz ZNAPJCXNPDJPAI-UHFFFAOYSA-N -1 1 412.467 3.757 50 0 HHAAMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)c2c(=O)[n-]c(SCC(C)C)nc2N1 ZINC000004292304 557536850 /nfs/dbraw/zinc/53/68/50/557536850.db2.gz APHHAGGJBUDGEZ-MRXNPFEDSA-N -1 1 414.531 3.696 50 0 HHAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 ZINC000012867044 558481976 /nfs/dbraw/zinc/48/19/76/558481976.db2.gz QQMZUTUBSCFJTC-UHFFFAOYSA-N -1 1 408.479 3.699 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC000013040048 558506445 /nfs/dbraw/zinc/50/64/45/558506445.db2.gz JGJQBKWREQYPKO-UHFFFAOYSA-N -1 1 422.572 3.669 50 0 HHAAMM COc1ccc(-c2nc([O-])c(CC(=O)Nc3ccc(Br)cc3)s2)cc1 ZINC000013164471 558524968 /nfs/dbraw/zinc/52/49/68/558524968.db2.gz INWQAFUWIMXJTL-HNNXBMFYSA-N -1 1 419.300 3.875 50 0 HHAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000024439738 558597574 /nfs/dbraw/zinc/59/75/74/558597574.db2.gz NDVJJSRKHDIJJL-UHFFFAOYSA-N -1 1 421.526 3.791 50 0 HHAAMM COc1ccc(Cl)cc1C(=O)Nn1c(=O)c2c3c(sc2[n-]c1=S)CCC3 ZINC000017087808 558816567 /nfs/dbraw/zinc/81/65/67/558816567.db2.gz SQKVSFSGGUQKKT-UHFFFAOYSA-N -1 1 407.904 3.655 50 0 HHAAMM Cc1cc2c([n-]c(=S)n(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)c2=O)s1 ZINC000017093734 558822263 /nfs/dbraw/zinc/82/22/63/558822263.db2.gz AJUJMOHFQKFBPL-LLVKDONJSA-N -1 1 423.947 3.863 50 0 HHAAMM CCc1ccccc1S(=O)(=O)[N-]c1cc2sc(NC(C)=O)nc2c(OC)c1 ZINC000033007968 558828842 /nfs/dbraw/zinc/82/88/42/558828842.db2.gz BUOSKJJEHMDYQI-UHFFFAOYSA-N -1 1 405.501 3.627 50 0 HHAAMM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc2sc(NC(C)=O)nc21 ZINC000033007960 558828849 /nfs/dbraw/zinc/82/88/49/558828849.db2.gz ZFUFHSSITOIIMV-UHFFFAOYSA-N -1 1 419.528 3.989 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1F ZINC000013696317 558855947 /nfs/dbraw/zinc/85/59/47/558855947.db2.gz KCXYDYANIPOALN-UHFFFAOYSA-N -1 1 418.490 3.714 50 0 HHAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000013696202 558856519 /nfs/dbraw/zinc/85/65/19/558856519.db2.gz YCPXYYKYOMIRAM-UHFFFAOYSA-N -1 1 402.472 3.891 50 0 HHAAMM COc1cc(O)ccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000021784774 558949827 /nfs/dbraw/zinc/94/98/27/558949827.db2.gz AZPYNCQUXLWWBW-INIZCTEOSA-N -1 1 423.494 3.559 50 0 HHAAMM CC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000011325267 559052398 /nfs/dbraw/zinc/05/23/98/559052398.db2.gz GTKQBNKQSFHHPL-UHFFFAOYSA-N -1 1 404.488 3.633 50 0 HHAAMM COc1cc(OC)c(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000011603685 559113142 /nfs/dbraw/zinc/11/31/42/559113142.db2.gz JAXREQGUVBNIHN-UHFFFAOYSA-N -1 1 410.908 3.978 50 0 HHAAMM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(Cl)c1 ZINC000328600076 559171826 /nfs/dbraw/zinc/17/18/26/559171826.db2.gz VLNIVZKUVSONRL-UHFFFAOYSA-N -1 1 403.834 3.833 50 0 HHAAMM CC(=O)N(Cc1ccc(Cl)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101416457 560794603 /nfs/dbraw/zinc/79/46/03/560794603.db2.gz GLDDXFAQNJENBQ-UHFFFAOYSA-N -1 1 421.888 3.523 50 0 HHAAMM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102724555 560821753 /nfs/dbraw/zinc/82/17/53/560821753.db2.gz KERNKEUSBXMSQX-YPAWHYETSA-N -1 1 400.434 3.746 50 0 HHAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000045900638 568421434 /nfs/dbraw/zinc/42/14/34/568421434.db2.gz QQAWACSDQLBTAZ-UHFFFAOYSA-N -1 1 423.538 3.987 50 0 HHAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000045900688 568421484 /nfs/dbraw/zinc/42/14/84/568421484.db2.gz GONWBPUOBWUIQG-UHFFFAOYSA-N -1 1 423.538 3.987 50 0 HHAAMM CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421111 568450406 /nfs/dbraw/zinc/45/04/06/568450406.db2.gz NZOHFYSGCYIDNN-GOEBONIOSA-N -1 1 410.543 3.783 50 0 HHAAMM CCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000049421241 568450558 /nfs/dbraw/zinc/45/05/58/568450558.db2.gz JZWNKAMQSYMPMU-INIZCTEOSA-N -1 1 410.543 3.703 50 0 HHAAMM COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000057996795 568498579 /nfs/dbraw/zinc/49/85/79/568498579.db2.gz STFVCOUSDZOIHA-UHFFFAOYSA-N -1 1 420.668 3.610 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)CC)sc3c2)cc1 ZINC000033007556 568510311 /nfs/dbraw/zinc/51/03/11/568510311.db2.gz QXOVCPCZYIUZFB-UHFFFAOYSA-N -1 1 405.501 3.844 50 0 HHAAMM CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCCC[C@H]32)C(=O)[N-]C1=S ZINC000229919820 568716048 /nfs/dbraw/zinc/71/60/48/568716048.db2.gz FAXHGYNNSDBMHI-GTXQTCRKSA-N -1 1 419.978 3.673 50 0 HHAAMM Cc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1Cl ZINC000022190896 568765311 /nfs/dbraw/zinc/76/53/11/568765311.db2.gz NTAOCZYZRNOWPM-UHFFFAOYSA-N -1 1 422.934 3.710 50 0 HHAAMM CCCCNC(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002912066 568815880 /nfs/dbraw/zinc/81/58/80/568815880.db2.gz HZMCMOWRSYIWIZ-UHFFFAOYSA-N -1 1 415.559 3.926 50 0 HHAAMM CC(C)(C)OC(=O)NCC(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000005831326 568825129 /nfs/dbraw/zinc/82/51/29/568825129.db2.gz GSPHXSPIGWIKLM-UHFFFAOYSA-N -1 1 411.410 3.596 50 0 biogenic HHAAMM CC(C)(C)OC(=O)NCC(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000005831326 568825130 /nfs/dbraw/zinc/82/51/30/568825130.db2.gz GSPHXSPIGWIKLM-UHFFFAOYSA-N -1 1 411.410 3.596 50 0 biogenic HHAAMM Cc1noc(C)c1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000012532505 568844572 /nfs/dbraw/zinc/84/45/72/568844572.db2.gz CEFWMKBZHIRHAP-UHFFFAOYSA-N -1 1 413.499 3.890 50 0 HHAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)CSC(C)(C)C)c2)cc1 ZINC000030655595 568879700 /nfs/dbraw/zinc/87/97/00/568879700.db2.gz VWBKFAWULXVUEN-UHFFFAOYSA-N -1 1 424.544 3.672 50 0 HHAAMM O=C(CSc1nnc(NCc2ccccc2)s1)[N-]C(=O)c1ccccc1Cl ZINC000003356367 568886912 /nfs/dbraw/zinc/88/69/12/568886912.db2.gz JGTMDOZDNKEZPQ-UHFFFAOYSA-N -1 1 418.931 3.852 50 0 HHAAMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc21 ZINC000003434792 568902543 /nfs/dbraw/zinc/90/25/43/568902543.db2.gz ZANWXYUOFMVFJQ-UHFFFAOYSA-N -1 1 406.467 3.785 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1OC ZINC000008130208 568975205 /nfs/dbraw/zinc/97/52/05/568975205.db2.gz KQJDFCZLBFVPOW-UHFFFAOYSA-N -1 1 401.488 3.581 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)n1 ZINC000008136067 568976925 /nfs/dbraw/zinc/97/69/25/568976925.db2.gz KWMUIVOVPBYXRB-UHFFFAOYSA-N -1 1 417.922 3.507 50 0 HHAAMM Cc1cccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])n1 ZINC000012849103 569010242 /nfs/dbraw/zinc/01/02/42/569010242.db2.gz ONFSYDOACOUBNV-UHFFFAOYSA-N -1 1 417.874 3.802 50 0 HHAAMM Cc1ccc(-n2c3nnc([S-])n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000006199524 569031519 /nfs/dbraw/zinc/03/15/19/569031519.db2.gz IOFHGXSGKSNIBP-AWEZNQCLSA-N -1 1 412.540 3.789 50 0 HHAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)c3ccccc3Cl)nn2c(=O)c1C ZINC000064791955 569095788 /nfs/dbraw/zinc/09/57/88/569095788.db2.gz CJNFKJIIOIXYFX-UHFFFAOYSA-N -1 1 413.890 3.596 50 0 HHAAMM Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCCCCC2)c1 ZINC000064844040 569107825 /nfs/dbraw/zinc/10/78/25/569107825.db2.gz JFXZEBPDDXOHDV-UHFFFAOYSA-N -1 1 417.531 3.968 50 0 HHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)cccc3CC)ccc21 ZINC000064861776 569110465 /nfs/dbraw/zinc/11/04/65/569110465.db2.gz QHTRNVMZVOSBSG-UHFFFAOYSA-N -1 1 401.532 3.840 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c1C ZINC000065241514 569204172 /nfs/dbraw/zinc/20/41/72/569204172.db2.gz FDHBGLUCMWKBLD-UHFFFAOYSA-N -1 1 409.467 3.882 50 0 HHAAMM CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000014097280 569258645 /nfs/dbraw/zinc/25/86/45/569258645.db2.gz SUQFSYPFFCTMRV-UHFFFAOYSA-N -1 1 414.277 3.655 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3)cc2)cc1 ZINC000007814678 569312554 /nfs/dbraw/zinc/31/25/54/569312554.db2.gz KBIIAESAEBTUMG-UHFFFAOYSA-N -1 1 410.495 3.605 50 0 HHAAMM O=C(Cc1sc(Nc2ccc(O)cc2)nc1[O-])c1ccc(Br)cc1 ZINC000012438376 569401488 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ZINC000006748290 569108503 /nfs/dbraw/zinc/10/85/03/569108503.db2.gz ZOBTUNRKCFUDBQ-HNNXBMFYSA-N -1 1 413.886 3.895 50 0 HHAAMM O=C1C[C@H](c2cccc(O)c2)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000006748289 569108612 /nfs/dbraw/zinc/10/86/12/569108612.db2.gz ZOBTUNRKCFUDBQ-OAHLLOKOSA-N -1 1 413.886 3.895 50 0 HHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000006764834 569114414 /nfs/dbraw/zinc/11/44/14/569114414.db2.gz UDWOEVUMCPLUNK-HOTGVXAUSA-N -1 1 402.516 3.614 50 0 HHAAMM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)cc(OC)c1OC ZINC000064979650 569140972 /nfs/dbraw/zinc/14/09/72/569140972.db2.gz PKLNZDNSVDPKJV-UHFFFAOYSA-N -1 1 418.471 3.785 50 0 HHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c1 ZINC000065115293 569179388 /nfs/dbraw/zinc/17/93/88/569179388.db2.gz HDPQZWCKOGBWGG-UHFFFAOYSA-N -1 1 413.499 3.872 50 0 HHAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)c1 ZINC000006934601 569184716 /nfs/dbraw/zinc/18/47/16/569184716.db2.gz XVMMMNCWKVXTQI-CQSZACIVSA-N -1 1 400.500 3.574 50 0 HHAAMM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000065186551 569192240 /nfs/dbraw/zinc/19/22/40/569192240.db2.gz ZWQBMSGRFGVBBZ-UHFFFAOYSA-N -1 1 400.504 3.987 50 0 HHAAMM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c(C)n2CC)o1 ZINC000065186608 569192274 /nfs/dbraw/zinc/19/22/74/569192274.db2.gz VZVQHQAKWOYTKI-UHFFFAOYSA-N -1 1 406.483 3.986 50 0 HHAAMM COc1ccc2nc(NC(=O)Cn3c(=S)[n-]nc3-c3cccs3)sc2c1 ZINC000014240543 569259205 /nfs/dbraw/zinc/25/92/05/569259205.db2.gz APGVVRSJWWCJLG-UHFFFAOYSA-N -1 1 403.514 3.926 50 0 HHAAMM COc1ccc(-c2noc(CSc3nc(-c4ccccn4)cc(=O)[n-]3)n2)c(OC)c1 ZINC000016944839 569268055 /nfs/dbraw/zinc/26/80/55/569268055.db2.gz LQPZCLANABXIMY-UHFFFAOYSA-N -1 1 423.454 3.604 50 0 HHAAMM Cc1cccc(-n2c3nnc([S-])n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)c1 ZINC000002317418 569373287 /nfs/dbraw/zinc/37/32/87/569373287.db2.gz SXLLQGLOYZFRNE-AWEZNQCLSA-N -1 1 412.540 3.789 50 0 HHAAMM Cc1cc([O-])c2c(C)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1 ZINC000008764793 571115026 /nfs/dbraw/zinc/11/50/26/571115026.db2.gz WTWAYFVMFKEYMK-CQSZACIVSA-N -1 1 404.466 3.887 50 0 biogenic HHAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC ZINC000008927318 571160262 /nfs/dbraw/zinc/16/02/62/571160262.db2.gz KBXMBMLQXOAMHS-INIZCTEOSA-N -1 1 405.454 3.708 50 0 HHAAMM Cc1c(C(=O)[O-])sc2nc3c(Cl)cc(C(=O)c4ccccc4O)cn3c(=O)c12 ZINC000008941575 571168528 /nfs/dbraw/zinc/16/85/28/571168528.db2.gz YDJNEUDQCFWGIO-UHFFFAOYSA-N -1 1 414.826 3.506 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000040144931 571194937 /nfs/dbraw/zinc/19/49/37/571194937.db2.gz DUBIUIRONILRHR-STQMWFEESA-N -1 1 422.469 3.730 50 0 HHAAMM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000009228256 571239459 /nfs/dbraw/zinc/23/94/59/571239459.db2.gz PVXSQGQZTGODQA-UHFFFAOYSA-N -1 1 400.456 3.784 50 0 HHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCc1cccs1 ZINC000009305085 571246491 /nfs/dbraw/zinc/24/64/91/571246491.db2.gz ZSRITQYMQYKMPO-UHFFFAOYSA-N -1 1 407.447 3.922 50 0 biogenic HHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCc1cccs1 ZINC000009305085 571246492 /nfs/dbraw/zinc/24/64/92/571246492.db2.gz ZSRITQYMQYKMPO-UHFFFAOYSA-N -1 1 407.447 3.922 50 0 biogenic HHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000010288288 571299389 /nfs/dbraw/zinc/29/93/89/571299389.db2.gz SCPNLYFHIDRWAX-ZDUSSCGKSA-N -1 1 414.453 3.807 50 0 HHAAMM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1N1CCCCCC1 ZINC000032962108 526352737 /nfs/dbraw/zinc/35/27/37/526352737.db2.gz HDUUZGOKJQPQQV-UHFFFAOYSA-N -1 1 410.442 3.844 50 0 HHAAMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)ccc21 ZINC000008840585 535003750 /nfs/dbraw/zinc/00/37/50/535003750.db2.gz FZKPIYOJTAHBRS-UHFFFAOYSA-N -1 1 415.515 3.525 50 0 HHAAMM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)N1 ZINC000001166164 557220939 /nfs/dbraw/zinc/22/09/39/557220939.db2.gz GGNFYUZSSJDACD-RIYZIHGNSA-N -1 1 407.651 3.862 50 0 HHAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000004758047 557595029 /nfs/dbraw/zinc/59/50/29/557595029.db2.gz HEDJOMMVEZIKDD-UHFFFAOYSA-N -1 1 417.508 3.719 50 0 HHAAMM CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc(C)cc(=O)[n-]3)sc2c1 ZINC000008667239 557799448 /nfs/dbraw/zinc/79/94/48/557799448.db2.gz CPASFZROGANPRS-CYBMUJFWSA-N -1 1 404.517 3.596 50 0 HHAAMM CCOc1ccc2nc(Nc3nc(-c4ccc(OC)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000010325312 557860181 /nfs/dbraw/zinc/86/01/81/557860181.db2.gz VFVFBHLREIRWRY-UHFFFAOYSA-N -1 1 403.442 3.839 50 0 HHAAMM O=C(c1cccnc1)N1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000019819314 558289490 /nfs/dbraw/zinc/28/94/90/558289490.db2.gz KBKNIGUIFHIPJQ-UHFFFAOYSA-N -1 1 413.886 3.739 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(C)cc2C)c1 ZINC000010814317 558460615 /nfs/dbraw/zinc/46/06/15/558460615.db2.gz ZCWIQQHFPYPGEF-UHFFFAOYSA-N -1 1 404.532 3.611 50 0 HHAAMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000024258301 558593323 /nfs/dbraw/zinc/59/33/23/558593323.db2.gz XYFFCVVIPSWZHM-UHFFFAOYSA-N -1 1 409.467 3.870 50 0 HHAAMM COc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1NC(C)=O ZINC000024769919 558611827 /nfs/dbraw/zinc/61/18/27/558611827.db2.gz STTWTMDKQXKOEI-UHFFFAOYSA-N -1 1 411.487 3.522 50 0 HHAAMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c(=O)[n-]1 ZINC000024832555 558615339 /nfs/dbraw/zinc/61/53/39/558615339.db2.gz NAPNPGFVTLLFMN-UHFFFAOYSA-N -1 1 422.482 3.773 50 0 HHAAMM O=c1[n-]c(NNC(=S)NC2CCCCC2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000015962503 558764233 /nfs/dbraw/zinc/76/42/33/558764233.db2.gz WPRLNILSGSTGSP-UHFFFAOYSA-N -1 1 423.586 3.929 50 0 HHAAMM O=C(OCc1ccc(Cl)nc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000058612414 558929021 /nfs/dbraw/zinc/92/90/21/558929021.db2.gz HWWBBSIBDQISAP-UHFFFAOYSA-N -1 1 402.859 3.893 50 0 HHAAMM O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc2ccccc2cc1[O-] ZINC000060064265 558940705 /nfs/dbraw/zinc/94/07/05/558940705.db2.gz VGNSHTVCWOEPBH-UHFFFAOYSA-N -1 1 405.450 3.752 50 0 HHAAMM COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCCN(CCC(=O)[O-])C4)nc12 ZINC000067688445 558991549 /nfs/dbraw/zinc/99/15/49/558991549.db2.gz LFLRMTRLKLVNAX-UHFFFAOYSA-N -1 1 422.481 3.897 50 0 HHAAMM CCOc1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccccc3F)n2)cc1 ZINC000023138424 559019809 /nfs/dbraw/zinc/01/98/09/559019809.db2.gz ZVMKQGNJCYDKTK-UHFFFAOYSA-N -1 1 413.474 3.781 50 0 HHAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2s1 ZINC000033298898 559048138 /nfs/dbraw/zinc/04/81/38/559048138.db2.gz IQWSNNWHCSKAAO-UHFFFAOYSA-N -1 1 410.542 3.508 50 0 HHAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3nc(S(C)(=O)=O)sc3c2)c1C ZINC000033298946 559048228 /nfs/dbraw/zinc/04/82/28/559048228.db2.gz RCQIJIQNXPWKHL-UHFFFAOYSA-N -1 1 424.569 3.734 50 0 HHAAMM O=C(C=C1SC(=O)[N-]C1=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000097998307 560758818 /nfs/dbraw/zinc/75/88/18/560758818.db2.gz CSGPUFKYTQNKRF-VZUCSPMQSA-N -1 1 414.295 3.846 50 0 HHAAMM COc1ccc([C@@H]2CC(=O)c3cc4c(=O)n(-c5ccccc5)nc-4[n-]c3C2)cc1OC ZINC000018198322 560783531 /nfs/dbraw/zinc/78/35/31/560783531.db2.gz MFQHEEUNZYDURP-HNNXBMFYSA-N -1 1 415.449 3.644 50 0 HHAAMM O=C(NCc1ccccc1F)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828395 560802739 /nfs/dbraw/zinc/80/27/39/560802739.db2.gz HPQAOHWUOWUVQJ-UHFFFAOYSA-N -1 1 412.424 3.888 50 0 HHAAMM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(-c4cn5ccsc5n4)cc3)cc21 ZINC000102679677 560821025 /nfs/dbraw/zinc/82/10/25/560821025.db2.gz MMVUXKTWWAOMMU-LBPRGKRZSA-N -1 1 424.507 3.919 50 0 HHAAMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2sc1=O ZINC000064946821 560838613 /nfs/dbraw/zinc/83/86/13/560838613.db2.gz RUSMBHAZRCPVCX-UHFFFAOYSA-N -1 1 412.920 3.936 50 0 HHAAMM COc1ccccc1-c1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)no1 ZINC000047527938 560891880 /nfs/dbraw/zinc/89/18/80/560891880.db2.gz IRQABZKUAISPHH-UHFFFAOYSA-N -1 1 406.438 3.791 50 0 HHAAMM CCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[n-]2)C1 ZINC000049421407 568450561 /nfs/dbraw/zinc/45/05/61/568450561.db2.gz VPWXUIUIDWBZQP-OAHLLOKOSA-N -1 1 410.543 3.703 50 0 HHAAMM CC(C)(C)[C@@H]1CCc2sc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc2C1 ZINC000008342645 568498630 /nfs/dbraw/zinc/49/86/30/568498630.db2.gz GSLOJUUHUQMRMG-CQSZACIVSA-N -1 1 403.548 3.799 50 0 HHAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2C)s1 ZINC000033007741 568510258 /nfs/dbraw/zinc/51/02/58/568510258.db2.gz WNOFVPYFQIBNGF-UHFFFAOYSA-N -1 1 417.512 3.957 50 0 HHAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)cc1 ZINC000020509632 568620670 /nfs/dbraw/zinc/62/06/70/568620670.db2.gz YYAVRXHEIWSRNF-LBPRGKRZSA-N -1 1 404.513 3.537 50 0 HHAAMM O=S(=O)([N-]c1ccccc1[C@H](O)C(F)(F)F)c1cccc(Br)c1 ZINC000095464658 568622597 /nfs/dbraw/zinc/62/25/97/568622597.db2.gz SNPHIDMHMRQAFT-ZDUSSCGKSA-N -1 1 410.211 3.846 50 0 HHAAMM CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000020530097 568626668 /nfs/dbraw/zinc/62/66/68/568626668.db2.gz GGDCGTZOMYYPDO-NSHDSACASA-N -1 1 414.405 3.640 50 0 HHAAMM COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCOCC2)cc1OC ZINC000095478395 568631737 /nfs/dbraw/zinc/63/17/37/568631737.db2.gz LHDCDEDULVNLPA-GOSISDBHSA-N -1 1 419.503 3.852 50 0 HHAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc3c(c2)OCCO3)S1 ZINC000096117328 568696611 /nfs/dbraw/zinc/69/66/11/568696611.db2.gz GWUINYOZTVCKKI-KBXCAEBGSA-N -1 1 415.515 3.964 50 0 HHAAMM COc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)n2)c(OC)c1 ZINC000012414990 568717176 /nfs/dbraw/zinc/71/71/76/568717176.db2.gz XEBFKZWNBWWLDG-UHFFFAOYSA-N -1 1 422.466 3.796 50 0 HHAAMM O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)[N-]C(=O)c1ccccc1 ZINC000005886986 568827708 /nfs/dbraw/zinc/82/77/08/568827708.db2.gz YBWFDFKWDCHEAV-UHFFFAOYSA-N -1 1 404.451 3.576 50 0 HHAAMM COc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1OC ZINC000006009203 568835111 /nfs/dbraw/zinc/83/51/11/568835111.db2.gz HYONCVKRTHZIMN-UHFFFAOYSA-N -1 1 412.467 3.757 50 0 HHAAMM CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1c1ccco1 ZINC000006022455 568835608 /nfs/dbraw/zinc/83/56/08/568835608.db2.gz APAPWPYIUIQPAY-HXUWFJFHSA-N -1 1 409.467 3.778 50 0 HHAAMM C[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000012547468 568851456 /nfs/dbraw/zinc/85/14/56/568851456.db2.gz ASIFHYQHWJSVCH-ZDUSSCGKSA-N -1 1 410.528 3.732 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCOC(C)C)cc2)cc1C ZINC000012604671 568870861 /nfs/dbraw/zinc/87/08/61/568870861.db2.gz NVFGJVJFCDUXMR-UHFFFAOYSA-N -1 1 404.532 3.649 50 0 HHAAMM CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000004032415 568878974 /nfs/dbraw/zinc/87/89/74/568878974.db2.gz MARVKXOSJMYZGH-AWEZNQCLSA-N -1 1 405.907 3.928 50 0 HHAAMM Cc1cccc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1C ZINC000012786622 568960231 /nfs/dbraw/zinc/96/02/31/568960231.db2.gz UHJXZOOEAUJXFT-UHFFFAOYSA-N -1 1 417.509 3.559 50 0 HHAAMM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@H+]1CCC[C@H](C(=O)[O-])C1 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/nfs/dbraw/zinc/61/34/84/558613484.db2.gz KWAJEDHNMYEMEJ-ZSOIEALJSA-N -1 1 407.264 3.512 50 0 HHAAMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccco1 ZINC000015135288 558724709 /nfs/dbraw/zinc/72/47/09/558724709.db2.gz DOXOUILWSLGISE-GFCCVEGCSA-N -1 1 406.410 3.850 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nccs3)cc2)cc1 ZINC000016641569 558797532 /nfs/dbraw/zinc/79/75/32/558797532.db2.gz OJQRPRJGNQMNLG-UHFFFAOYSA-N -1 1 403.485 3.595 50 0 HHAAMM Nc1ccc2c(c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc3ccccc3)C1=O)[C@@H]1CCCCCN21 ZINC000017043538 558812613 /nfs/dbraw/zinc/81/26/13/558812613.db2.gz LACJPBMUJNLERX-RDPSFJRHSA-N -1 1 418.497 3.679 50 0 HHAAMM O=C(c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O)N1CCC[C@H]1c1nccs1 ZINC000091440318 559071563 /nfs/dbraw/zinc/07/15/63/559071563.db2.gz KRAOQVATPXVMQU-LEJIWSMMSA-N -1 1 410.543 3.672 50 0 HHAAMM CCCNC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000011695884 559189072 /nfs/dbraw/zinc/18/90/72/559189072.db2.gz XSKLKOPUZCBNQJ-UHFFFAOYSA-N -1 1 415.540 3.528 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2c(-c3ccccc3)nc3ccccn32)n1 ZINC000008846500 560210921 /nfs/dbraw/zinc/21/09/21/560210921.db2.gz IXMAERWORNOHRL-UHFFFAOYSA-N -1 1 419.510 3.768 50 0 biogenic,in-vitro HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1 ZINC000017356921 560709762 /nfs/dbraw/zinc/70/97/62/560709762.db2.gz UUSNWASAGCBYQR-UHFFFAOYSA-N -1 1 402.516 3.901 50 0 HHAAMM Cc1[nH]c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3[O-])cc2c1C ZINC000017360320 560711513 /nfs/dbraw/zinc/71/15/13/560711513.db2.gz XFSMGJSSZSHREI-UHFFFAOYSA-N -1 1 413.499 3.527 50 0 HHAAMM O=C1[C@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1cccc2ccccc21 ZINC000101070766 560770829 /nfs/dbraw/zinc/77/08/29/560770829.db2.gz WYZKGYKOYGOCGM-PKOBYXMFSA-N -1 1 421.250 3.895 50 0 HHAAMM CCCCCC(=O)N(Cc1ccc(OCC)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101878055 560804269 /nfs/dbraw/zinc/80/42/69/560804269.db2.gz CCSVLVUQBFCBPY-UHFFFAOYSA-N -1 1 411.506 3.547 50 0 HHAAMM Cc1noc(C)c1S(=O)(=O)[N-]c1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000045961896 568422804 /nfs/dbraw/zinc/42/28/04/568422804.db2.gz LMJHFNPVMDYLMO-UHFFFAOYSA-N -1 1 403.460 3.553 50 0 HHAAMM O=C(NC1CCCC1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421123 568450584 /nfs/dbraw/zinc/45/05/84/568450584.db2.gz IJRLMGMDFQYWJQ-MRXNPFEDSA-N -1 1 422.554 3.927 50 0 HHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(CO)c3)c2)c1 ZINC000007227463 568475760 /nfs/dbraw/zinc/47/57/60/568475760.db2.gz WCTJXZILPLHDSN-UHFFFAOYSA-N -1 1 410.495 3.849 50 0 HHAAMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1-c1ccc2c(c1)OCO2 ZINC000095466377 568624183 /nfs/dbraw/zinc/62/41/83/568624183.db2.gz YITCRKHXKHFDTK-UHFFFAOYSA-N -1 1 405.863 3.876 50 0 HHAAMM O=S(=O)([N-]c1cnc[nH]1)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000225392330 568633814 /nfs/dbraw/zinc/63/38/14/568633814.db2.gz QBRTUYYWYSUWIE-UHFFFAOYSA-N -1 1 412.240 3.904 50 0 HHAAMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000225737404 568669749 /nfs/dbraw/zinc/66/97/49/568669749.db2.gz BDHUMOOVSHYLSI-UHFFFAOYSA-N -1 1 405.332 3.636 50 0 HHAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccnc2ccccc21 ZINC000096114236 568693969 /nfs/dbraw/zinc/69/39/69/568693969.db2.gz UCRJSEQIXZSGSD-IBGZPJMESA-N -1 1 417.465 3.958 50 0 biogenic HHAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1coc2ccccc2c1=O ZINC000096114907 568694531 /nfs/dbraw/zinc/69/45/31/568694531.db2.gz XTMDYNJITTUNPB-INIZCTEOSA-N -1 1 404.422 3.508 50 0 biogenic HHAAMM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1O ZINC000096118335 568697915 /nfs/dbraw/zinc/69/79/15/568697915.db2.gz DLICPMCGHONMQZ-GUYCJALGSA-N -1 1 403.504 3.907 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(Cl)cc2)c1 ZINC000024979959 568698766 /nfs/dbraw/zinc/69/87/66/568698766.db2.gz MTKXRELMXCTJPT-UHFFFAOYSA-N -1 1 410.923 3.647 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC)c(OCC)c1)CC(=O)N2 ZINC000086057900 568754041 /nfs/dbraw/zinc/75/40/41/568754041.db2.gz OGLRGHABKLDMNA-CYBMUJFWSA-N -1 1 403.504 3.544 50 0 HHAAMM O=S(=O)([N-]c1ccc(Br)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000001105285 568771890 /nfs/dbraw/zinc/77/18/90/568771890.db2.gz LVYXIPYBDPEUFL-UHFFFAOYSA-N -1 1 404.669 3.675 50 0 HHAAMM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccccc1 ZINC000057105326 568824172 /nfs/dbraw/zinc/82/41/72/568824172.db2.gz BJMHCZHETMFKOJ-UHFFFAOYSA-N -1 1 410.543 3.985 50 0 HHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC3(CCCC3)C2)cc1 ZINC000084247545 568944906 /nfs/dbraw/zinc/94/49/06/568944906.db2.gz QKQXMDVCNDVIEM-UHFFFAOYSA-N -1 1 414.527 3.581 50 0 HHAAMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000012781186 568957737 /nfs/dbraw/zinc/95/77/37/568957737.db2.gz DULVOFSOIFKKMK-UHFFFAOYSA-N -1 1 410.495 3.562 50 0 HHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CCCC1 ZINC000008195594 568982221 /nfs/dbraw/zinc/98/22/21/568982221.db2.gz KSMBIZNUJQXARJ-UHFFFAOYSA-N -1 1 416.499 3.777 50 0 HHAAMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000013678392 569004870 /nfs/dbraw/zinc/00/48/70/569004870.db2.gz DCOVSIVRWIGCKD-UHFFFAOYSA-N -1 1 410.451 3.777 50 0 HHAAMM Cc1cc2oc(=O)sc2cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000006142840 569014388 /nfs/dbraw/zinc/01/43/88/569014388.db2.gz YOYXAJDFXDFVSW-UHFFFAOYSA-N -1 1 412.448 3.683 50 0 HHAAMM O=C(CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1)Nc1ccccc1Cl ZINC000012888752 569019823 /nfs/dbraw/zinc/01/98/23/569019823.db2.gz ZWQGWBOFFXNZMB-UHFFFAOYSA-N -1 1 423.900 3.595 50 0 HHAAMM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1 ZINC000064843707 569107703 /nfs/dbraw/zinc/10/77/03/569107703.db2.gz PZEYUIXCHPEKKW-UHFFFAOYSA-N -1 1 417.531 3.940 50 0 HHAAMM CCCCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1C ZINC000064843950 569107712 /nfs/dbraw/zinc/10/77/12/569107712.db2.gz MOQWWUBQYAOEQG-UHFFFAOYSA-N -1 1 405.520 3.824 50 0 HHAAMM O=S(=O)([N-]CCn1c2ccccc2nc1-c1ccccc1)c1cc(F)ccc1F ZINC000064888214 569115486 /nfs/dbraw/zinc/11/54/86/569115486.db2.gz CWICTOYUSNVBTB-UHFFFAOYSA-N -1 1 413.449 3.960 50 0 HHAAMM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)nn12 ZINC000064983820 569144683 /nfs/dbraw/zinc/14/46/83/569144683.db2.gz UZSAYFHAYPHSKB-UHFFFAOYSA-N -1 1 407.499 3.826 50 0 HHAAMM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(F)c(C)c3)c(C)n2CC)o1 ZINC000065186617 569192207 /nfs/dbraw/zinc/19/22/07/569192207.db2.gz YGFCHEGGDGNWNK-UHFFFAOYSA-N -1 1 406.483 3.986 50 0 HHAAMM CN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C1=O ZINC000065241530 569201798 /nfs/dbraw/zinc/20/17/98/569201798.db2.gz OTNMTIPPDPLCGW-UHFFFAOYSA-N -1 1 415.858 3.918 50 0 HHAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2C1=O ZINC000065241570 569201807 /nfs/dbraw/zinc/20/18/07/569201807.db2.gz NEIYHFTUOIBNLQ-UHFFFAOYSA-N -1 1 413.430 3.794 50 0 HHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c1 ZINC000065241497 569204162 /nfs/dbraw/zinc/20/41/62/569204162.db2.gz PCBDUYDQJRRMFL-UHFFFAOYSA-N -1 1 409.467 3.882 50 0 HHAAMM Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000007419155 569237290 /nfs/dbraw/zinc/23/72/90/569237290.db2.gz AHSBLTGXIHFFGO-UHFFFAOYSA-N -1 1 411.893 3.676 50 0 HHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCc1cccs1 ZINC000013850329 569258103 /nfs/dbraw/zinc/25/81/03/569258103.db2.gz DVXOLDLXCKMJSH-UHFFFAOYSA-N -1 1 404.488 3.547 50 0 HHAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCc2ccc(OC(F)F)cc2)cc1 ZINC000014198398 569258978 /nfs/dbraw/zinc/25/89/78/569258978.db2.gz SSULYZASXLGEQV-UHFFFAOYSA-N -1 1 418.469 3.876 50 0 HHAAMM Cc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000016993296 569270884 /nfs/dbraw/zinc/27/08/84/569270884.db2.gz AQXBJVLXZBILRJ-UHFFFAOYSA-N -1 1 422.670 3.653 50 0 HHAAMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000079045986 569425206 /nfs/dbraw/zinc/42/52/06/569425206.db2.gz NEWNHSJHWJKNJI-SFHVURJKSA-N -1 1 422.504 3.762 50 0 HHAAMM O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1[O-])NCc1ccc(Cl)cc1 ZINC000008704862 571103284 /nfs/dbraw/zinc/10/32/84/571103284.db2.gz YYMOUCWJIUPTOR-INIZCTEOSA-N -1 1 412.902 3.506 50 0 HHAAMM CCN1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009166127 571232730 /nfs/dbraw/zinc/23/27/30/571232730.db2.gz DHXKIEXTOITKFR-UHFFFAOYSA-N -1 1 408.907 3.912 50 0 HHAAMM O=C(c1ccco1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000005099600 132301122 /nfs/dbraw/zinc/30/11/22/132301122.db2.gz AFOOJOPNWNFHQB-UHFFFAOYSA-N -1 1 400.431 3.813 50 0 HHAAMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC000032906701 525476628 /nfs/dbraw/zinc/47/66/28/525476628.db2.gz BYNLGFWPFOXWPH-UHFFFAOYSA-N -1 1 417.508 3.992 50 0 HHAAMM O=S(=O)([N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(Br)cc1 ZINC000044922272 527251730 /nfs/dbraw/zinc/25/17/30/527251730.db2.gz GINRFSMZBZRVFK-MRXNPFEDSA-N -1 1 422.304 3.978 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 ZINC000005136585 535402160 /nfs/dbraw/zinc/40/21/60/535402160.db2.gz YOAWHZHLXCUXAH-UHFFFAOYSA-N -1 1 402.516 3.821 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000000671088 557049174 /nfs/dbraw/zinc/04/91/74/557049174.db2.gz SJZJXVLQDNJYLV-UHFFFAOYSA-N -1 1 420.487 3.736 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)c1 ZINC000000673934 557050685 /nfs/dbraw/zinc/05/06/85/557050685.db2.gz AHYAHMJOXPDTKM-UHFFFAOYSA-N -1 1 406.463 3.905 50 0 HHAAMM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000001147453 557208817 /nfs/dbraw/zinc/20/88/17/557208817.db2.gz COLSFZNVERRXJJ-UHFFFAOYSA-N -1 1 420.487 3.736 50 0 HHAAMM CCOc1ccc(NC(=S)N2[C@H](C(=O)[O-])Cc3nc[nH]c3[C@@H]2c2ccccc2)cc1 ZINC000022628249 557271427 /nfs/dbraw/zinc/27/14/27/557271427.db2.gz XZAMAKCMQACMRJ-ICSRJNTNSA-N -1 1 422.510 3.606 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)c1C ZINC000006698112 557715712 /nfs/dbraw/zinc/71/57/12/557715712.db2.gz XOPWJVHTHFFTIW-UHFFFAOYSA-N -1 1 409.511 3.738 50 0 HHAAMM COc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cccc(C)c4n3)n2)cc1OC ZINC000009936596 557852026 /nfs/dbraw/zinc/85/20/26/557852026.db2.gz IQTUWUADRZEWJU-UHFFFAOYSA-N -1 1 403.442 3.758 50 0 HHAAMM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000013570078 558541761 /nfs/dbraw/zinc/54/17/61/558541761.db2.gz GQDQSPUZLHMICY-CQSZACIVSA-N -1 1 423.494 3.733 50 0 HHAAMM COc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1OC ZINC000013693693 558574914 /nfs/dbraw/zinc/57/49/14/558574914.db2.gz BVCPTEJNJFSBIF-UHFFFAOYSA-N -1 1 403.442 3.758 50 0 HHAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccccc3C)cc2OC)s1 ZINC000033007878 558828690 /nfs/dbraw/zinc/82/86/90/558828690.db2.gz AJRIGHDRXSUWGS-UHFFFAOYSA-N -1 1 405.501 3.763 50 0 HHAAMM O=c1cc(CSc2nc3ccccc3s2)[nH]c2nn(-c3ccccc3)c([O-])c21 ZINC000018222209 558833981 /nfs/dbraw/zinc/83/39/81/558833981.db2.gz UFFCSXOLRAKGEI-UHFFFAOYSA-N -1 1 406.492 3.909 50 0 HHAAMM O=c1c2c([O-])cc(CSc3nc4ccccc4s3)[nH]c-2nn1-c1ccccc1 ZINC000018222209 558833985 /nfs/dbraw/zinc/83/39/85/558833985.db2.gz UFFCSXOLRAKGEI-UHFFFAOYSA-N -1 1 406.492 3.909 50 0 HHAAMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)OCCCO2 ZINC000010657346 558885602 /nfs/dbraw/zinc/88/56/02/558885602.db2.gz GKDRCHUVVPJISD-UHFFFAOYSA-N -1 1 418.254 3.654 50 0 HHAAMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000004641582 558961416 /nfs/dbraw/zinc/96/14/16/558961416.db2.gz OWEGQMPFRLULHD-MRXNPFEDSA-N -1 1 422.572 3.785 50 0 HHAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4ccccc4)CC2)nc3=O)cc1 ZINC000064611588 558964702 /nfs/dbraw/zinc/96/47/02/558964702.db2.gz OFIPMOUVEGSXQD-UHFFFAOYSA-N -1 1 418.522 3.987 50 0 HHAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)NCCCc1ccccc1 ZINC000023138418 559019798 /nfs/dbraw/zinc/01/97/98/559019798.db2.gz SMSZEAAYJIOTFV-UHFFFAOYSA-N -1 1 411.502 3.905 50 0 HHAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(S(=O)(=O)CC)sc3c2)cc1 ZINC000033298876 559048162 /nfs/dbraw/zinc/04/81/62/559048162.db2.gz SWPHSNULOJUHJH-UHFFFAOYSA-N -1 1 424.569 3.843 50 0 HHAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(S(C)(=O)=O)sc3c2)cc1 ZINC000033298959 559048241 /nfs/dbraw/zinc/04/82/41/559048241.db2.gz BUBMBRFNMZILER-UHFFFAOYSA-N -1 1 424.569 3.798 50 0 HHAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2s1 ZINC000033299062 559048337 /nfs/dbraw/zinc/04/83/37/559048337.db2.gz DFXCLJXQYBFSIZ-UHFFFAOYSA-N -1 1 424.569 3.898 50 0 HHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)c1 ZINC000016399940 559077124 /nfs/dbraw/zinc/07/71/24/559077124.db2.gz DNFJNZHHRWHLLY-UHFFFAOYSA-N -1 1 409.511 3.738 50 0 HHAAMM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccccn1 ZINC000101232127 559144187 /nfs/dbraw/zinc/14/41/87/559144187.db2.gz MJQGWYFYAQTZTH-HKBOAZHASA-N -1 1 403.413 3.580 50 0 HHAAMM Cc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000011854890 559262169 /nfs/dbraw/zinc/26/21/69/559262169.db2.gz YVTSPCGOLXCZLJ-UHFFFAOYSA-N -1 1 405.483 3.862 50 0 HHAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000011906499 559266720 /nfs/dbraw/zinc/26/67/20/559266720.db2.gz ZWTUZBBVHLRICU-UHFFFAOYSA-N -1 1 411.458 3.533 50 0 HHAAMM CCOc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101767193 560799933 /nfs/dbraw/zinc/79/99/33/560799933.db2.gz JWWDYKFSEHPDFJ-GOSISDBHSA-N -1 1 423.494 3.536 50 0 HHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccccc3Cl)C(=O)CC)nn2c1=O ZINC000101861369 560804099 /nfs/dbraw/zinc/80/40/99/560804099.db2.gz NHPMVPRNMSGTFK-UHFFFAOYSA-N -1 1 401.898 3.665 50 0 HHAAMM CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046027676 568424479 /nfs/dbraw/zinc/42/44/79/568424479.db2.gz WXPBPEDZZOMLEO-UHFFFAOYSA-N -1 1 423.538 3.689 50 0 HHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000046074251 568426796 /nfs/dbraw/zinc/42/67/96/568426796.db2.gz WDNARVBFTHZTOS-LLVKDONJSA-N -1 1 420.922 3.688 50 0 HHAAMM CCCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421134 568450545 /nfs/dbraw/zinc/45/05/45/568450545.db2.gz UUQSJTJONPGIER-MRXNPFEDSA-N -1 1 410.543 3.784 50 0 HHAAMM CCc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000006818493 568459606 /nfs/dbraw/zinc/45/96/06/568459606.db2.gz CTCYFAOICUFWSF-IBGZPJMESA-N -1 1 400.525 3.969 50 0 HHAAMM CC(C)c1sc(Br)nc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000095472219 568627668 /nfs/dbraw/zinc/62/76/68/568627668.db2.gz CCOILYAPZDLJMK-ZETCQYMHSA-N -1 1 403.327 3.984 50 0 HHAAMM COc1cc(OC)c([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCOCC2)cc1OC ZINC000095478394 568631663 /nfs/dbraw/zinc/63/16/63/568631663.db2.gz LHDCDEDULVNLPA-SFHVURJKSA-N -1 1 419.503 3.852 50 0 HHAAMM O=S(=O)([N-]c1cn2c(cccc2Br)n1)C1=Cc2ccccc2CC1 ZINC000225394090 568633758 /nfs/dbraw/zinc/63/37/58/568633758.db2.gz BWSVOAXSGSQHCX-UHFFFAOYSA-N -1 1 404.289 3.826 50 0 HHAAMM O=S(=O)([N-]c1cc(-c2ccncc2)n[nH]1)c1cc(Cl)ccc1Br ZINC000225531088 568647870 /nfs/dbraw/zinc/64/78/70/568647870.db2.gz WRKKLHNBBIVOQG-UHFFFAOYSA-N -1 1 413.684 3.688 50 0 HHAAMM CCc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)c1 ZINC000020893860 568648334 /nfs/dbraw/zinc/64/83/34/568648334.db2.gz MZQGTHKVZCHITQ-UHFFFAOYSA-N -1 1 423.538 3.987 50 0 HHAAMM Cc1c(=O)[n-]c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000095941628 568662321 /nfs/dbraw/zinc/66/23/21/568662321.db2.gz KCNOIKZLYRBDKM-IBGZPJMESA-N -1 1 409.486 3.996 50 0 HHAAMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c3ccncc3)cc1)[C@H](C)C2 ZINC000096003368 568681829 /nfs/dbraw/zinc/68/18/29/568681829.db2.gz GDRMGUPOCQNIFM-OPAMFIHVSA-N -1 1 421.522 3.854 50 0 HHAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC(F)(F)F)cc2)[n-][nH]c1=O)c1cccnc1 ZINC000096223507 568706009 /nfs/dbraw/zinc/70/60/09/568706009.db2.gz GDOVLYURQOBJTQ-HNNXBMFYSA-N -1 1 421.375 3.695 50 0 HHAAMM CC[C@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCCC[C@H]32)C(=O)[N-]C1=S ZINC000229919834 568716034 /nfs/dbraw/zinc/71/60/34/568716034.db2.gz FAXHGYNNSDBMHI-IBNJYYFUSA-N -1 1 419.978 3.673 50 0 HHAAMM CCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 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JPBMNWBQATVFPJ-UHFFFAOYSA-N -1 1 402.516 3.957 50 0 HHAAMM CCOC(=O)C1=C(NS(=O)(=O)c2cccc(Cl)c2)[N-]c2ccccc2N=C1C ZINC000009285222 571245140 /nfs/dbraw/zinc/24/51/40/571245140.db2.gz VKQNYSSCUXOSRZ-UHFFFAOYSA-N -1 1 419.890 3.611 50 0 HHAAMM COc1ccc(OC)c(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)ccc2O3)c1 ZINC000009290446 571245661 /nfs/dbraw/zinc/24/56/61/571245661.db2.gz WKAQCXPJSZLLOT-UHFFFAOYSA-N -1 1 415.243 3.913 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1C ZINC000002653664 132256496 /nfs/dbraw/zinc/25/64/96/132256496.db2.gz FSKOJOKUSDQOLL-UHFFFAOYSA-N -1 1 414.449 3.960 50 0 HHAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CCS3)cc1 ZINC000032943953 518385303 /nfs/dbraw/zinc/38/53/03/518385303.db2.gz JPVCEHLCMBWMJX-UHFFFAOYSA-N -1 1 416.524 3.539 50 0 HHAAMM COC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000032789060 523248746 /nfs/dbraw/zinc/24/87/46/523248746.db2.gz AMNCWEYUJIITPY-UHFFFAOYSA-N -1 1 412.876 3.547 50 0 HHAAMM CCc1cc(=O)[n-]c(SCc2nc(-c3ccc(F)c(Br)c3)no2)n1 ZINC000044169019 523740151 /nfs/dbraw/zinc/74/01/51/523740151.db2.gz YMHGJOPCGFIHGQ-UHFFFAOYSA-N -1 1 411.256 3.576 50 0 HHAAMM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)on1 ZINC000044479691 524761262 /nfs/dbraw/zinc/76/12/62/524761262.db2.gz HZCQBHPZMCVGPW-UHFFFAOYSA-N -1 1 400.081 3.531 50 0 HHAAMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000032596899 526348032 /nfs/dbraw/zinc/34/80/32/526348032.db2.gz JLSHSYBKHHPIKZ-UHFFFAOYSA-N -1 1 408.632 3.741 50 0 HHAAMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000001062223 557164591 /nfs/dbraw/zinc/16/45/91/557164591.db2.gz IUCKNVKETQMVJR-UHFFFAOYSA-N -1 1 424.478 3.835 50 0 HHAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(Cl)(Cl)C(=O)N3)cc1 ZINC000006578938 557709116 /nfs/dbraw/zinc/70/91/16/557709116.db2.gz YQMQBRHIYONMOH-UHFFFAOYSA-N -1 1 415.254 3.506 50 0 HHAAMM CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1cccs1 ZINC000007990935 557769110 /nfs/dbraw/zinc/76/91/10/557769110.db2.gz RIFKKEFBRJXWMI-AWEZNQCLSA-N -1 1 405.545 3.974 50 0 HHAAMM COC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000008132268 557773220 /nfs/dbraw/zinc/77/32/20/557773220.db2.gz KWCCSFLQFIMKFQ-OAHLLOKOSA-N -1 1 403.479 3.662 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2 ZINC000008345999 557782774 /nfs/dbraw/zinc/78/27/74/557782774.db2.gz AERYBZMCELAINN-OAHLLOKOSA-N -1 1 403.479 3.806 50 0 HHAAMM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000020716250 558401305 /nfs/dbraw/zinc/40/13/05/558401305.db2.gz PUCXSYVOZKYAQZ-OAQYLSRUSA-N -1 1 407.470 3.735 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)n1 ZINC000012792634 558466704 /nfs/dbraw/zinc/46/67/04/558466704.db2.gz DQEHVFBZDYJBJQ-JOCHJYFZSA-N -1 1 423.538 3.729 50 0 HHAAMM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000024864156 558618005 /nfs/dbraw/zinc/61/80/05/558618005.db2.gz JDNRGVPEEGCTRP-CYBMUJFWSA-N -1 1 403.276 3.646 50 0 HHAAMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1OC ZINC000026536463 558662789 /nfs/dbraw/zinc/66/27/89/558662789.db2.gz KAMWDRRYDFFZOM-UHFFFAOYSA-N -1 1 419.528 3.698 50 0 HHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 ZINC000016647538 558797503 /nfs/dbraw/zinc/79/75/03/558797503.db2.gz OCUHMUWPUVAMLN-UHFFFAOYSA-N -1 1 420.556 3.844 50 0 HHAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000036366041 558799486 /nfs/dbraw/zinc/79/94/86/558799486.db2.gz QDEMFYMPLVBOLT-UHFFFAOYSA-N -1 1 424.404 3.509 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000004625665 558889527 /nfs/dbraw/zinc/88/95/27/558889527.db2.gz KEZUKJOILLCXPU-JTQLQIEISA-N -1 1 412.284 3.648 50 0 HHAAMM COc1cccc(CSc2nc(CC(=O)Nc3ccc(C)c(C)c3)cc(=O)[n-]2)c1 ZINC000023138187 559018509 /nfs/dbraw/zinc/01/85/09/559018509.db2.gz OKZRCFOZYBFLFL-UHFFFAOYSA-N -1 1 409.511 3.869 50 0 HHAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1 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CCc1cccc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 ZINC000024250266 558593387 /nfs/dbraw/zinc/59/33/87/558593387.db2.gz ZZXREFMUHLXPTI-UHFFFAOYSA-N -1 1 424.309 3.903 50 0 HHAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(C4SCCCS4)c3)cc2N1 ZINC000024261692 558593658 /nfs/dbraw/zinc/59/36/58/558593658.db2.gz HCKFFLKNLRZGQR-UHFFFAOYSA-N -1 1 422.553 3.687 50 0 HHAAMM CCOc1cc2c(cc1OCC)[C@@H](c1ccc(O[C@H](C)C(=O)[O-])c(OC)c1)NCC2 ZINC000004577263 558751616 /nfs/dbraw/zinc/75/16/16/558751616.db2.gz IVBZRRPQMYUONV-JLCFBVMHSA-N -1 1 415.486 3.580 50 0 HHAAMM O=C(NCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000033274523 558764053 /nfs/dbraw/zinc/76/40/53/558764053.db2.gz XNOSZNQKGVGVFK-UHFFFAOYSA-N -1 1 406.507 3.835 50 0 HHAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCCC(C)C)CC2)cc1 ZINC000033274495 558764077 /nfs/dbraw/zinc/76/40/77/558764077.db2.gz OLHWPUKHZXQWRW-UHFFFAOYSA-N -1 1 400.544 3.990 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C ZINC000016097065 558771718 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3.776 50 0 HHAAMM COc1cccc(CSc2nc(CC(=O)N[C@H](C)c3ccccc3)cc(=O)[n-]2)c1 ZINC000023138169 559018500 /nfs/dbraw/zinc/01/85/00/559018500.db2.gz KXSGGZVMTDDGMI-OAHLLOKOSA-N -1 1 409.511 3.903 50 0 HHAAMM COc1cccc(CSc2nc(CC(=O)N3CCc4ccccc43)cc(=O)[n-]2)c1 ZINC000023138172 559018507 /nfs/dbraw/zinc/01/85/07/559018507.db2.gz CUTRNAIAYHPETB-UHFFFAOYSA-N -1 1 407.495 3.615 50 0 HHAAMM COCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000004735824 559035011 /nfs/dbraw/zinc/03/50/11/559035011.db2.gz HRZWQPFCQCIBDG-UHFFFAOYSA-N -1 1 417.483 3.962 50 0 HHAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2s1 ZINC000033298908 559048143 /nfs/dbraw/zinc/04/81/43/559048143.db2.gz MCDYJXBVZMWXMR-UHFFFAOYSA-N -1 1 410.542 3.508 50 0 HHAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2c(F)cccc2F)n1 ZINC000011854394 559262195 /nfs/dbraw/zinc/26/21/95/559262195.db2.gz QYYHNOHDXCHZMH-UHFFFAOYSA-N -1 1 413.409 3.523 50 0 HHAAMM CCOc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[n-]2)cc1 ZINC000011854373 559262225 /nfs/dbraw/zinc/26/22/25/559262225.db2.gz AAFQNYBUGLQOIL-UHFFFAOYSA-N -1 1 421.482 3.644 50 0 HHAAMM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000005204133 560538508 /nfs/dbraw/zinc/53/85/08/560538508.db2.gz CYFPDYPCWGTUFS-UHFFFAOYSA-N -1 1 414.414 3.608 50 0 HHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)CC)CCC3)cc1 ZINC000017248325 560705027 /nfs/dbraw/zinc/70/50/27/560705027.db2.gz WHCVCLVHOJRHPP-UHFFFAOYSA-N -1 1 415.515 3.525 50 0 HHAAMM Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000017293269 560706116 /nfs/dbraw/zinc/70/61/16/560706116.db2.gz FIOBGKKSNWAJDF-GDNBJRDFSA-N -1 1 400.232 3.866 50 0 HHAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1Cl ZINC000002857827 560732251 /nfs/dbraw/zinc/73/22/51/560732251.db2.gz LVUINPUPXMSDOI-UHFFFAOYSA-N -1 1 404.669 3.690 50 0 HHAAMM CC(C)[C@@H](NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1)c1cccs1 ZINC000101791593 560801363 /nfs/dbraw/zinc/80/13/63/560801363.db2.gz YPOFNKGTKQCZPF-GOSISDBHSA-N -1 1 407.561 3.731 50 0 HHAAMM CCOCCCNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(CC)cc4)nc-3c2c1 ZINC000101827612 560802494 /nfs/dbraw/zinc/80/24/94/560802494.db2.gz ZCFRAAIJFZSEJN-UHFFFAOYSA-N -1 1 418.497 3.537 50 0 HHAAMM Cc1ccc(C(=O)N(Cc2ccccc2Cl)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860745 560803957 /nfs/dbraw/zinc/80/39/57/560803957.db2.gz FDQDNVDRKIHXMD-UHFFFAOYSA-N -1 1 421.888 3.843 50 0 HHAAMM CCc1ccc([C@H](CC(=O)NCc2ccc(OC)cc2)[N-]C(=O)C(F)(F)F)cc1 ZINC000005717291 560842581 /nfs/dbraw/zinc/84/25/81/560842581.db2.gz UIHXJDPFWWQBNH-SFHVURJKSA-N -1 1 408.420 3.684 50 0 HHAAMM COC(=O)c1ccc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2OC)o1 ZINC000006735938 568458686 /nfs/dbraw/zinc/45/86/86/568458686.db2.gz OILXICTUYGUDEQ-OVCLIPMQSA-N -1 1 405.453 3.983 50 0 HHAAMM COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000024227576 568510651 /nfs/dbraw/zinc/51/06/51/568510651.db2.gz WXKVBIAYNLJLIK-UHFFFAOYSA-N -1 1 420.668 3.610 50 0 HHAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCOCC2)cc(OC)c1OC 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3.867 50 0 HHAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3N3CCc4ccccc43)cc2oc1=O ZINC000031535017 568927663 /nfs/dbraw/zinc/92/76/63/568927663.db2.gz UGTWRGAWLBOUCK-UHFFFAOYSA-N -1 1 421.478 3.627 50 0 HHAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)c(Cl)c1 ZINC000031722890 568929882 /nfs/dbraw/zinc/92/98/82/568929882.db2.gz ARPFTVLSOQIYQB-UHFFFAOYSA-N -1 1 417.911 3.996 50 0 HHAAMM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(-c4ccno4)c3)ccc2S1 ZINC000015730565 568981201 /nfs/dbraw/zinc/98/12/01/568981201.db2.gz KTICJGHJGJKGNG-GFCCVEGCSA-N -1 1 415.496 3.965 50 0 HHAAMM O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000008291796 568988062 /nfs/dbraw/zinc/98/80/62/568988062.db2.gz NAUQIWGBENHHFE-UHFFFAOYSA-N -1 1 414.414 3.608 50 0 HHAAMM Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C ZINC000015866611 569016813 /nfs/dbraw/zinc/01/68/13/569016813.db2.gz ZULGMOXFNCZPIH-UHFFFAOYSA-N -1 1 403.891 3.816 50 0 HHAAMM O=C(CN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1)Nc1ccccc1Cl ZINC000012942819 569028735 /nfs/dbraw/zinc/02/87/35/569028735.db2.gz SSHTZTDKTFGYDF-UHFFFAOYSA-N -1 1 423.900 3.595 50 0 HHAAMM COc1ccc(N2OC3=C([O-])N(c4ccccc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239164966 569054015 /nfs/dbraw/zinc/05/40/15/569054015.db2.gz NFRIQTUVSBIGGV-FKBYEOEOSA-N -1 1 400.434 3.746 50 0 HHAAMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1-c1ccc2c(c1)OCCO2 ZINC000089540339 569070022 /nfs/dbraw/zinc/07/00/22/569070022.db2.gz UVZABBQXYCNYQY-UHFFFAOYSA-N -1 1 419.890 3.919 50 0 HHAAMM COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)c4ccc([O-])cc4oc3=O)c2c1 ZINC000006624210 569075553 /nfs/dbraw/zinc/07/55/53/569075553.db2.gz RBMBLZOWNNWQDA-UHFFFAOYSA-N -1 1 420.465 3.588 50 0 biogenic HHAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C ZINC000064791944 569095782 /nfs/dbraw/zinc/09/57/82/569095782.db2.gz AATFGFAKRCGQBF-UHFFFAOYSA-N -1 1 413.890 3.596 50 0 HHAAMM CCCCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OCC)cc1 ZINC000064843968 569107839 /nfs/dbraw/zinc/10/78/39/569107839.db2.gz SUGJORRSFUXGLL-UHFFFAOYSA-N -1 1 421.519 3.606 50 0 HHAAMM Cc1c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc(C(=O)N2CCCCC2)n1C ZINC000064922235 569122223 /nfs/dbraw/zinc/12/22/23/569122223.db2.gz ILRBVIUIYCDSHM-UHFFFAOYSA-N -1 1 409.939 3.722 50 0 HHAAMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000006888320 569171583 /nfs/dbraw/zinc/17/15/83/569171583.db2.gz FOZJMCWIOMQTIM-UHFFFAOYSA-N -1 1 411.321 3.732 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1C ZINC000065115301 569179402 /nfs/dbraw/zinc/17/94/02/569179402.db2.gz IDCIMZHSLHEQLG-UHFFFAOYSA-N -1 1 413.499 3.872 50 0 HHAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C1=O ZINC000065241563 569201786 /nfs/dbraw/zinc/20/17/86/569201786.db2.gz MSAPTXUIOMKPJG-UHFFFAOYSA-N -1 1 413.430 3.794 50 0 HHAAMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1 ZINC000170620129 569248702 /nfs/dbraw/zinc/24/87/02/569248702.db2.gz XELPCTAOFNWRBU-UHFFFAOYSA-N -1 1 423.416 3.570 50 0 HHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000014185752 569258832 /nfs/dbraw/zinc/25/88/32/569258832.db2.gz BKWSISRZMOBLGB-UHFFFAOYSA-N -1 1 408.527 3.854 50 0 HHAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000007709297 569301725 /nfs/dbraw/zinc/30/17/25/569301725.db2.gz POBSOZKPZZRWGN-UHFFFAOYSA-N -1 1 414.483 3.656 50 0 HHAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000008977260 571198210 /nfs/dbraw/zinc/19/82/10/571198210.db2.gz JOHNCLVNTAPHMI-UHFFFAOYSA-N -1 1 416.499 3.887 50 0 HHAAMM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccccc3)cc2OCC(C)(C)C1=O ZINC000009168116 571233180 /nfs/dbraw/zinc/23/31/80/571233180.db2.gz RDGWPMGUIFUTSU-UHFFFAOYSA-N -1 1 402.516 3.895 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1Cl ZINC000009668677 571278341 /nfs/dbraw/zinc/27/83/41/571278341.db2.gz VIBCKRSFPRTJKB-UHFFFAOYSA-N -1 1 408.907 3.694 50 0 HHAAMM CCCCCn1c([O-])c(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccccc21 ZINC000005826142 960788347 /nfs/dbraw/zinc/78/83/47/960788347.db2.gz HNGXELJBSBOMIS-UHFFFAOYSA-N -1 1 408.454 3.936 50 0 HHAAMM O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc([O-])c(O)c2o1 ZINC000216804391 970081553 /nfs/dbraw/zinc/08/15/53/970081553.db2.gz WLNPRJGNDGQISA-UHFFFAOYSA-N -1 1 401.168 3.740 50 0 HHAAMM Cc1oc(-c2ccccc2[N-]S(C)(=O)=O)nc1CN(C)C/C=C/c1ccco1 ZINC000299785342 970723939 /nfs/dbraw/zinc/72/39/39/970723939.db2.gz YKTPFJCZMGRCAC-SOFGYWHQSA-N -1 1 401.488 3.760 50 0 HHAAMM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000008768759 132333265 /nfs/dbraw/zinc/33/32/65/132333265.db2.gz RVWUAXNOPSPYCM-UHFFFAOYSA-N -1 1 423.332 3.939 50 0 HHAAMM CCc1c(C)nc(SCc2nc(-c3ccccc3Br)no2)[n-]c1=O ZINC000044169465 523713371 /nfs/dbraw/zinc/71/33/71/523713371.db2.gz GFBIQXGGONKVCI-UHFFFAOYSA-N -1 1 407.293 3.746 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CCS3)c1C ZINC000032943968 524693185 /nfs/dbraw/zinc/69/31/85/524693185.db2.gz YLFXVRVTXGCWQM-UHFFFAOYSA-N -1 1 402.541 3.953 50 0 HHAAMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1Cl ZINC000032585614 525296148 /nfs/dbraw/zinc/29/61/48/525296148.db2.gz CUBWTXFVJZJMCK-UHFFFAOYSA-N -1 1 410.698 3.971 50 0 HHAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)c(OC)c1 ZINC000000876795 557108541 /nfs/dbraw/zinc/10/85/41/557108541.db2.gz KSMPDWYZSYDSDP-BZZOAKBMSA-N -1 1 420.421 3.911 50 0 HHAAMM Cc1cc(OC([O-])=NC(=O)C(F)(F)F)c(C(C)C)cc1I ZINC000001050510 557159428 /nfs/dbraw/zinc/15/94/28/557159428.db2.gz RJXCUBDBAGIGMB-UHFFFAOYSA-N -1 1 415.149 3.900 50 0 HHAAMM Cc1cc(OC(=O)[N-]C(=O)C(F)(F)F)c(C(C)C)cc1I ZINC000001050510 557159430 /nfs/dbraw/zinc/15/94/30/557159430.db2.gz RJXCUBDBAGIGMB-UHFFFAOYSA-N -1 1 415.149 3.900 50 0 HHAAMM COC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001075621 557172880 /nfs/dbraw/zinc/17/28/80/557172880.db2.gz WYVZZEWJYBSPSZ-UHFFFAOYSA-N -1 1 410.451 3.526 50 0 HHAAMM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000002061461 557304072 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CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000065115774 569179712 /nfs/dbraw/zinc/17/97/12/569179712.db2.gz AFZFYYUXGVRTCD-UHFFFAOYSA-N -1 1 403.435 3.857 50 0 HHAAMM COc1ccccc1OCCCSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000006915661 569182164 /nfs/dbraw/zinc/18/21/64/569182164.db2.gz RQSOHVOTVLWIMV-UHFFFAOYSA-N -1 1 408.483 3.654 50 0 HHAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c1 ZINC000065241501 569204167 /nfs/dbraw/zinc/20/41/67/569204167.db2.gz QBHPOPMLLNGNBB-UHFFFAOYSA-N -1 1 409.467 3.827 50 0 HHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC000007054476 569214404 /nfs/dbraw/zinc/21/44/04/569214404.db2.gz BLAVTDXTPPQOAC-MRXNPFEDSA-N -1 1 422.572 3.525 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1NC(C)=O ZINC000007055915 569214550 /nfs/dbraw/zinc/21/45/50/569214550.db2.gz HOIZQXBLPISMKX-UHFFFAOYSA-N -1 1 402.444 3.769 50 0 HHAAMM CCc1c(C)nc(SCc2nc(-c3cccc(Br)c3)no2)[n-]c1=O ZINC000065330933 569225114 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-1 1 414.918 3.568 50 0 HHAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2C1 ZINC000008977284 571198137 /nfs/dbraw/zinc/19/81/37/571198137.db2.gz GEAJLOWRJBWGTQ-UHFFFAOYSA-N -1 1 416.499 3.887 50 0 HHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2OCC(C)(C)C1=O ZINC000009167578 571233207 /nfs/dbraw/zinc/23/32/07/571233207.db2.gz MBVDOPMWHBJMKT-UHFFFAOYSA-N -1 1 402.516 3.957 50 0 HHAAMM Cc1ccnc(NC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)c1 ZINC000009423542 571257583 /nfs/dbraw/zinc/25/75/83/571257583.db2.gz MJMIOOAVXJRVCP-UHFFFAOYSA-N -1 1 402.406 3.887 50 0 biogenic HHAAMM Cc1ccnc(NC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000009423542 571257585 /nfs/dbraw/zinc/25/75/85/571257585.db2.gz MJMIOOAVXJRVCP-UHFFFAOYSA-N -1 1 402.406 3.887 50 0 biogenic HHAAMM COC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314662 571300126 /nfs/dbraw/zinc/30/01/26/571300126.db2.gz VCYQHKMRYUJHTN-UHFFFAOYSA-N -1 1 424.478 3.835 50 0 HHAAMM O=C(c1ccco1)N1CCCc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000005099599 132301159 /nfs/dbraw/zinc/30/11/59/132301159.db2.gz IDDMKXAPVKEWFY-UHFFFAOYSA-N -1 1 400.431 3.813 50 0 HHAAMM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000032595997 519703995 /nfs/dbraw/zinc/70/39/95/519703995.db2.gz GAWAAPUBOJEMLI-UHFFFAOYSA-N -1 1 418.906 3.902 50 0 HHAAMM CC(C)Sc1cc2c(cc1[N-]C(=O)c1ccc(Br)o1)n(C)c(=O)n2C ZINC000045940797 519787849 /nfs/dbraw/zinc/78/78/49/519787849.db2.gz HECNPZGYVSDBRO-UHFFFAOYSA-N -1 1 424.320 3.985 50 0 HHAAMM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCC1 ZINC000040454908 522143029 /nfs/dbraw/zinc/14/30/29/522143029.db2.gz ZPDOXOBPRFMBIJ-OAHLLOKOSA-N -1 1 404.507 3.963 50 0 HHAAMM CCc1c(C)nc(SCc2nc(-c3cccc(OC)c3OC)oc2C)[n-]c1=O ZINC000045924721 523713284 /nfs/dbraw/zinc/71/32/84/523713284.db2.gz OIHDBEXKEUNQDH-UHFFFAOYSA-N -1 1 401.488 3.914 50 0 HHAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc21 ZINC000006892672 534803500 /nfs/dbraw/zinc/80/35/00/534803500.db2.gz UTTUWBQPTSRXHO-UHFFFAOYSA-N -1 1 400.884 3.739 50 0 HHAAMM CCOc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000000876882 557108512 /nfs/dbraw/zinc/10/85/12/557108512.db2.gz JJXLKTYTTANDSW-VWOFGYOZSA-N -1 1 408.454 3.678 50 0 HHAAMM CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1c1ccco1 ZINC000001077355 557174089 /nfs/dbraw/zinc/17/40/89/557174089.db2.gz FKSQBBJFRYDWFP-FQEVSTJZSA-N -1 1 409.467 3.778 50 0 HHAAMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)c3cccc1c23 ZINC000001203584 557240181 /nfs/dbraw/zinc/24/01/81/557240181.db2.gz IDBGBPAAVYPDNZ-UHFFFAOYSA-N -1 1 403.257 3.969 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2 ZINC000008345998 557782762 /nfs/dbraw/zinc/78/27/62/557782762.db2.gz AERYBZMCELAINN-HNNXBMFYSA-N -1 1 403.479 3.806 50 0 HHAAMM O=c1[n-]c(=S)n(-c2cccc(C(F)(F)F)c2)c2c1CN(Cc1ccccn1)CN2 ZINC000019939056 558313248 /nfs/dbraw/zinc/31/32/48/558313248.db2.gz SDEMQFRFQKNZAD-UHFFFAOYSA-N -1 1 419.432 3.694 50 0 HHAAMM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000020716254 558401366 /nfs/dbraw/zinc/40/13/66/558401366.db2.gz PUCXSYVOZKYAQZ-NRFANRHFSA-N -1 1 407.470 3.735 50 0 HHAAMM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000020730398 558406386 /nfs/dbraw/zinc/40/63/86/558406386.db2.gz JWKPIEFNBMOAQI-HRAATJIYSA-N -1 1 408.454 3.669 50 0 HHAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000024440422 558597638 /nfs/dbraw/zinc/59/76/38/558597638.db2.gz MJCURDAPDPTJDR-UHFFFAOYSA-N -1 1 422.514 3.839 50 0 HHAAMM CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000024982628 558624369 /nfs/dbraw/zinc/62/43/69/558624369.db2.gz INQHMDIQTRWOBO-UHFFFAOYSA-N -1 1 402.501 3.715 50 0 HHAAMM COc1ccc(-c2nsc([N-]C(=O)c3ccc(Br)o3)n2)cc1OC ZINC000027740039 558680486 /nfs/dbraw/zinc/68/04/86/558680486.db2.gz HQCFMYZAJOBIEH-UHFFFAOYSA-N -1 1 410.249 3.830 50 0 HHAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)c1 ZINC000033274502 558764120 /nfs/dbraw/zinc/76/41/20/558764120.db2.gz RRFSNLBQTSMOGB-UHFFFAOYSA-N -1 1 400.544 3.990 50 0 HHAAMM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000033274886 558764902 /nfs/dbraw/zinc/76/49/02/558764902.db2.gz FMGBXYIPCUJWSM-UHFFFAOYSA-N -1 1 410.898 3.838 50 0 HHAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cc2sc(NC(C)=O)nc21 ZINC000033007938 558828683 /nfs/dbraw/zinc/82/86/83/558828683.db2.gz KJJXVZZCAGIJDG-UHFFFAOYSA-N -1 1 405.501 3.681 50 0 HHAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(OC)c2)cc1 ZINC000033007949 558828845 /nfs/dbraw/zinc/82/88/45/558828845.db2.gz WOSARACEMSGZKB-UHFFFAOYSA-N -1 1 405.501 3.627 50 0 HHAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCN(c4ccccn4)CC2)nc3=O)c1 ZINC000048990001 558847542 /nfs/dbraw/zinc/84/75/42/558847542.db2.gz DJPZPFXSCJBCNX-UHFFFAOYSA-N -1 1 403.511 3.682 50 0 HHAAMM COCCC[N@H+]1CCc2nc(SCc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000033141653 558893312 /nfs/dbraw/zinc/89/33/12/558893312.db2.gz AVRRGNPSAJNDKA-UHFFFAOYSA-N -1 1 413.465 3.888 50 0 HHAAMM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)cs1 ZINC000096602582 558981785 /nfs/dbraw/zinc/98/17/85/558981785.db2.gz CVBCTXBLIPRVNL-UHFFFAOYSA-N -1 1 420.443 3.639 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H]3CCCCC3=O)c2)c1 ZINC000011337893 559056454 /nfs/dbraw/zinc/05/64/54/559056454.db2.gz QQWICNMZOIRVOQ-FQEVSTJZSA-N -1 1 401.484 3.773 50 0 HHAAMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000060738720 559060634 /nfs/dbraw/zinc/06/06/34/559060634.db2.gz KHJBWKHSUGPHHA-UHFFFAOYSA-N -1 1 411.414 3.868 50 0 HHAAMM CC(C)(C)c1ccc(OCc2ncc(C(=O)N3CCC(F)(F)CC3)c(=O)[n-]2)cc1 ZINC000091595605 559072328 /nfs/dbraw/zinc/07/23/28/559072328.db2.gz KRASWRHETCQIKD-UHFFFAOYSA-N -1 1 405.445 3.518 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1NC(C)=O ZINC000005126745 559248761 /nfs/dbraw/zinc/24/87/61/559248761.db2.gz WZAXQTMNXUQEPL-UHFFFAOYSA-N -1 1 413.293 3.525 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1NC(C)=O ZINC000005256509 560552617 /nfs/dbraw/zinc/55/26/17/560552617.db2.gz CWVPDXMOKBKTMI-UHFFFAOYSA-N -1 1 417.512 3.886 50 0 HHAAMM O=C(NCCc1cccs1)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828371 560802735 /nfs/dbraw/zinc/80/27/35/560802735.db2.gz KOSNUZZECWCYRV-UHFFFAOYSA-N -1 1 414.490 3.853 50 0 HHAAMM COc1cccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccccc5)nc-4c3c2)c1 ZINC000101828389 560802745 /nfs/dbraw/zinc/80/27/45/560802745.db2.gz SBSIBGUTJWXXJX-UHFFFAOYSA-N -1 1 424.460 3.757 50 0 HHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)CC)nn2c1=O ZINC000101861341 560804078 /nfs/dbraw/zinc/80/40/78/560804078.db2.gz WDFATRLVHWGMQL-UHFFFAOYSA-N -1 1 401.898 3.665 50 0 HHAAMM O=[S@@](C=C1NN=C([S-])N1c1ccccc1)Cc1ccc(Br)cc1 ZINC000005757248 568442866 /nfs/dbraw/zinc/44/28/66/568442866.db2.gz SIWPASYJINYKFM-QHCPKHFHSA-N -1 1 408.346 3.767 50 0 HHAAMM COc1ccccc1OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024715190 568457867 /nfs/dbraw/zinc/45/78/67/568457867.db2.gz VEMBZWMWCPHAOY-UHFFFAOYSA-N -1 1 401.415 3.854 50 0 HHAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)ccc1Br ZINC000020487216 568613455 /nfs/dbraw/zinc/61/34/55/568613455.db2.gz OVIPEIQUVAUBCH-UHFFFAOYSA-N -1 1 423.332 3.812 50 0 HHAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCOCC2)cc(OC)c1OC ZINC000095477282 568631063 /nfs/dbraw/zinc/63/10/63/568631063.db2.gz WXHUJOZVRDNFJZ-GOSISDBHSA-N -1 1 419.503 3.852 50 0 HHAAMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(Cl)ccc3SCC)CC2)n1 ZINC000225531027 568647844 /nfs/dbraw/zinc/64/78/44/568647844.db2.gz REEKZFABHFSFIW-UHFFFAOYSA-N -1 1 422.938 3.767 50 0 HHAAMM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1O ZINC000096118334 568697821 /nfs/dbraw/zinc/69/78/21/568697821.db2.gz DLICPMCGHONMQZ-DYVFJYSZSA-N -1 1 403.504 3.907 50 0 HHAAMM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000096386720 568743415 /nfs/dbraw/zinc/74/34/15/568743415.db2.gz VMNQTYVAPJHSOZ-UHFFFAOYSA-N -1 1 400.229 3.681 50 0 HHAAMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1O ZINC000086057064 568753691 /nfs/dbraw/zinc/75/36/91/568753691.db2.gz WMMKPLDVANEGDX-HNNXBMFYSA-N -1 1 423.494 3.559 50 0 HHAAMM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1 ZINC000012548709 568851911 /nfs/dbraw/zinc/85/19/11/568851911.db2.gz NFVXEOFDLFWKNM-UHFFFAOYSA-N -1 1 401.513 3.555 50 0 HHAAMM COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000003301319 568852931 /nfs/dbraw/zinc/85/29/31/568852931.db2.gz FDYGWMYWKXMMDL-UHFFFAOYSA-N -1 1 410.451 3.526 50 0 HHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1 ZINC000012552566 568854383 /nfs/dbraw/zinc/85/43/83/568854383.db2.gz YZFSXXDDAQITGJ-UHFFFAOYSA-N -1 1 424.478 3.901 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)cc1 ZINC000012556974 568855831 /nfs/dbraw/zinc/85/58/31/568855831.db2.gz NGCXJNLIYWDFHO-QFIPXVFZSA-N -1 1 422.506 3.913 50 0 HHAAMM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)cn1 ZINC000012606998 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3.803 50 0 HHAAMM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000021345028 568687586 /nfs/dbraw/zinc/68/75/86/568687586.db2.gz MUVOJZUQRUHMKP-UHFFFAOYSA-N -1 1 417.560 3.795 50 0 HHAAMM CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000242191314 568732244 /nfs/dbraw/zinc/73/22/44/568732244.db2.gz XENUWLZAYOIVBA-HXUWFJFHSA-N -1 1 409.467 3.778 50 0 HHAAMM Cc1ccc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000025038601 568735935 /nfs/dbraw/zinc/73/59/35/568735935.db2.gz DTDIUWINOMSJKX-UHFFFAOYSA-N -1 1 414.458 3.797 50 0 HHAAMM C[C@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028835768 568810792 /nfs/dbraw/zinc/81/07/92/568810792.db2.gz UDJGLNODTLUVNN-QGZVFWFLSA-N -1 1 409.511 3.634 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1 ZINC000012526461 568843227 /nfs/dbraw/zinc/84/32/27/568843227.db2.gz ACSFBDJBWKINLU-UHFFFAOYSA-N -1 1 416.524 3.830 50 0 HHAAMM CN(Cc1ccsc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548480 568851753 /nfs/dbraw/zinc/85/17/53/568851753.db2.gz WNQYDLQVFUOILL-UHFFFAOYSA-N -1 1 404.488 3.960 50 0 HHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 ZINC000012740680 568928853 /nfs/dbraw/zinc/92/88/53/568928853.db2.gz APVIQLWDMRPKEH-UHFFFAOYSA-N -1 1 424.309 3.957 50 0 HHAAMM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cc(Br)cnc1Cl ZINC000084525200 568950266 /nfs/dbraw/zinc/95/02/66/568950266.db2.gz DKQYQTKKIQWUHG-UHFFFAOYSA-N -1 1 401.713 3.855 50 0 HHAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2s1 ZINC000015870367 569017307 /nfs/dbraw/zinc/01/73/07/569017307.db2.gz JTGWTOHSJTYZNO-UHFFFAOYSA-N -1 1 405.501 3.844 50 0 HHAAMM COc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1 ZINC000013005301 569049556 /nfs/dbraw/zinc/04/95/56/569049556.db2.gz CWCLHXRMUJSQQY-UHFFFAOYSA-N -1 1 406.482 3.521 50 0 HHAAMM Cc1nc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)sc1-c1n[n-]c(=S)n1C ZINC000013009249 569049967 /nfs/dbraw/zinc/04/99/67/569049967.db2.gz XCIRTZURHYJWSJ-UHFFFAOYSA-N -1 1 419.580 3.560 50 0 HHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)cc1 ZINC000064952015 569132501 /nfs/dbraw/zinc/13/25/01/569132501.db2.gz FTBZCDLXSKGUKE-UHFFFAOYSA-N -1 1 406.529 3.735 50 0 HHAAMM CCc1ccccc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000006818487 569138446 /nfs/dbraw/zinc/13/84/46/569138446.db2.gz QQPCLUQOBGBAGQ-LJQANCHMSA-N -1 1 400.525 3.969 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1Cl ZINC000065115157 569179277 /nfs/dbraw/zinc/17/92/77/569179277.db2.gz QZNGVABLMVULBO-UHFFFAOYSA-N -1 1 419.890 3.826 50 0 HHAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2C1=O ZINC000065241559 569201810 /nfs/dbraw/zinc/20/18/10/569201810.db2.gz BTYVAHMCPCNNRR-UHFFFAOYSA-N -1 1 409.467 3.963 50 0 HHAAMM CN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2C1=O ZINC000065241529 569201824 /nfs/dbraw/zinc/20/18/24/569201824.db2.gz JUUSTWIKQYSZLR-UHFFFAOYSA-N -1 1 415.858 3.918 50 0 HHAAMM CCN(CC)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000007055044 569214548 /nfs/dbraw/zinc/21/45/48/569214548.db2.gz ZSBLPRVDLVPEJR-UHFFFAOYSA-N -1 1 418.540 3.671 50 0 HHAAMM CC(C)(C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000007109384 569221448 /nfs/dbraw/zinc/22/14/48/569221448.db2.gz DFYNZOPLUPKGSV-UHFFFAOYSA-N -1 1 418.540 3.717 50 0 HHAAMM COc1cccc(-c2noc(CSc3nc(-c4ccccn4)cc(=O)[n-]3)n2)c1OC ZINC000065330936 569225126 /nfs/dbraw/zinc/22/51/26/569225126.db2.gz LJCHLWJZXWMIBT-UHFFFAOYSA-N -1 1 423.454 3.604 50 0 HHAAMM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000007423508 569237814 /nfs/dbraw/zinc/23/78/14/569237814.db2.gz KNHQKRFZRMDGJD-UHFFFAOYSA-N -1 1 418.540 3.719 50 0 HHAAMM COc1ccccc1C(=O)[N-]C(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000009883344 569251449 /nfs/dbraw/zinc/25/14/49/569251449.db2.gz LAJUYAATIBYGFO-UHFFFAOYSA-N -1 1 421.400 3.706 50 0 HHAAMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)ccc1Br ZINC000007726759 569303429 /nfs/dbraw/zinc/30/34/29/569303429.db2.gz VUEWUCMHDYEERJ-UHFFFAOYSA-N -1 1 409.305 3.685 50 0 HHAAMM Cc1cc([C@](C)(O)CNC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c(C)o1 ZINC000078939826 569421874 /nfs/dbraw/zinc/42/18/74/569421874.db2.gz MKEPFVNONGWPIP-OAQYLSRUSA-N -1 1 414.531 3.540 50 0 HHAAMM O=C(NCC1(c2ccccc2)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008703889 571102951 /nfs/dbraw/zinc/10/29/51/571102951.db2.gz MUVXHJMFEGWSOR-UHFFFAOYSA-N -1 1 406.507 3.949 50 0 HHAAMM COc1ccc2c(CCNC(=O)Cc3c(C)c4c([O-])cc(C)cc4oc3=O)c[nH]c2c1 ZINC000008764805 571114939 /nfs/dbraw/zinc/11/49/39/571114939.db2.gz WRBLSCQLFUOPMD-UHFFFAOYSA-N -1 1 420.465 3.507 50 0 biogenic HHAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(Nc3ccccc3C)nc2[O-])cc1 ZINC000008846145 571125694 /nfs/dbraw/zinc/12/56/94/571125694.db2.gz AHFLFIVJCFQPGB-QGZVFWFLSA-N -1 1 411.483 3.610 50 0 HHAAMM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000040062877 571147725 /nfs/dbraw/zinc/14/77/25/571147725.db2.gz GABYDEMHRQQRNF-INIZCTEOSA-N -1 1 417.405 3.944 50 0 HHAAMM Cc1cccc(NC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)n1 ZINC000008991524 571207316 /nfs/dbraw/zinc/20/73/16/571207316.db2.gz JPGJCCYGDDUOEQ-UHFFFAOYSA-N -1 1 402.406 3.887 50 0 biogenic HHAAMM Cc1cccc(NC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)n1 ZINC000008991524 571207320 /nfs/dbraw/zinc/20/73/20/571207320.db2.gz JPGJCCYGDDUOEQ-UHFFFAOYSA-N -1 1 402.406 3.887 50 0 biogenic HHAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 ZINC000009166102 571232726 /nfs/dbraw/zinc/23/27/26/571232726.db2.gz LRSSPDPOMVFUEZ-UHFFFAOYSA-N -1 1 402.516 3.821 50 0 HHAAMM O=C(c1ccc(S(=O)(=O)[N-]C2CC2)o1)N1CCC[C@@H]1Cc1cccc2ccccc21 ZINC000070015339 571254322 /nfs/dbraw/zinc/25/43/22/571254322.db2.gz ASLXSSADKNAVPA-LJQANCHMSA-N -1 1 424.522 3.721 50 0 HHAAMM Nc1nc(SCc2c(F)cccc2Cl)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518079 571265568 /nfs/dbraw/zinc/26/55/68/571265568.db2.gz HRUXQNPEFXSLFV-UHFFFAOYSA-N -1 1 422.844 3.828 50 0 HHAAMM CS(=O)(=O)c1ccccc1-c1nnc([N-]C(=O)c2cc(Cl)sc2Cl)o1 ZINC000009707610 571280619 /nfs/dbraw/zinc/28/06/19/571280619.db2.gz GKKRKZJZNSBWHT-UHFFFAOYSA-N -1 1 418.283 3.761 50 0 HHAAMM O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000005136518 132302597 /nfs/dbraw/zinc/30/25/97/132302597.db2.gz GNSDFGIPLSSASQ-UHFFFAOYSA-N -1 1 400.431 3.813 50 0 HHAAMM COc1ncccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000032759438 525042785 /nfs/dbraw/zinc/04/27/85/525042785.db2.gz IDJFVFGCWUFIOK-UHFFFAOYSA-N -1 1 411.483 3.760 50 0 HHAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1n[n-]c(=S)n1C[C@@H]1CCCO1 ZINC000001035918 557150598 /nfs/dbraw/zinc/15/05/98/557150598.db2.gz GHLAVYDIUZYCRB-HOTGVXAUSA-N -1 1 404.536 3.928 50 0 HHAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000001110786 557183529 /nfs/dbraw/zinc/18/35/29/557183529.db2.gz SXFQLVIALCCUKQ-UHFFFAOYSA-N -1 1 405.282 3.814 50 0 HHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)c1 ZINC000001078977 557175016 /nfs/dbraw/zinc/17/50/16/557175016.db2.gz RXCTTWKOSCYCJZ-UHFFFAOYSA-N -1 1 409.511 3.738 50 0 HHAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)OCCOC)c3c2)cc1 ZINC000002072007 557307499 /nfs/dbraw/zinc/30/74/99/557307499.db2.gz KPIDHTXGGCKWAU-UHFFFAOYSA-N -1 1 417.483 3.908 50 0 HHAAMM CCCCc1nnc([N-]C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)s1 ZINC000021345757 558437003 /nfs/dbraw/zinc/43/70/03/558437003.db2.gz VPRGHXWLUNMPCF-UHFFFAOYSA-N -1 1 417.560 3.939 50 0 HHAAMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1 ZINC000021869239 558453045 /nfs/dbraw/zinc/45/30/45/558453045.db2.gz DUYVFOJDDWKLIS-UHFFFAOYSA-N -1 1 424.478 3.819 50 0 HHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000013073996 558512095 /nfs/dbraw/zinc/51/20/95/558512095.db2.gz JNLDXSRUANBUSF-UHFFFAOYSA-N -1 1 422.572 3.669 50 0 HHAAMM Nc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c(=O)c1-c1ccccc1 ZINC000013545111 558537853 /nfs/dbraw/zinc/53/78/53/558537853.db2.gz FTXNCCDGVINDJM-UHFFFAOYSA-N -1 1 420.416 3.769 50 0 HHAAMM O=C1N[C@H](c2ccccc2F)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000013583944 558545727 /nfs/dbraw/zinc/54/57/27/558545727.db2.gz KHYAUCQBMIYWPD-CKEIUWERSA-N -1 1 416.758 3.583 50 0 HHAAMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(F)cc1F ZINC000024428405 558597303 /nfs/dbraw/zinc/59/73/03/558597303.db2.gz DKTGWBJRTDJEPY-UHFFFAOYSA-N -1 1 402.227 3.921 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccn(C)n3)c2)cc1C ZINC000024474720 558598827 /nfs/dbraw/zinc/59/88/27/558598827.db2.gz DCKAWESNPFXNHI-UHFFFAOYSA-N -1 1 418.906 3.743 50 0 HHAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Cn3ccnc3)c2)c1 ZINC000025179901 558633993 /nfs/dbraw/zinc/63/39/93/558633993.db2.gz QRBMGPOUXGCTCN-UHFFFAOYSA-N -1 1 404.499 3.800 50 0 HHAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc2c3c(cccc31)CC2 ZINC000014245514 558646597 /nfs/dbraw/zinc/64/65/97/558646597.db2.gz PKVGRGOFXQRADB-UHFFFAOYSA-N -1 1 422.506 3.681 50 0 HHAAMM C[C@H](Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)NC(C)(C)C ZINC000028385766 558699783 /nfs/dbraw/zinc/69/97/83/558699783.db2.gz FRJHDXUNJHAGEA-ZDUSSCGKSA-N -1 1 409.939 3.856 50 0 HHAAMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000015413753 558738725 /nfs/dbraw/zinc/73/87/25/558738725.db2.gz IZDBIXCPVHJUBS-KRWDZBQOSA-N -1 1 407.495 3.853 50 0 HHAAMM CCOc1cc2c(cc1OCC)[C@@H](c1ccc(O[C@@H](C)C(=O)[O-])c(OC)c1)NCC2 ZINC000004577259 558751327 /nfs/dbraw/zinc/75/13/27/558751327.db2.gz IVBZRRPQMYUONV-RCDICMHDSA-N -1 1 415.486 3.580 50 0 HHAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000016124640 558772988 /nfs/dbraw/zinc/77/29/88/558772988.db2.gz USTDFBNNOHABGS-UHFFFAOYSA-N -1 1 422.915 3.942 50 0 HHAAMM O=C(NCc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000017169195 558824694 /nfs/dbraw/zinc/82/46/94/558824694.db2.gz AKMXUSVMKPLUJN-UHFFFAOYSA-N -1 1 419.865 3.605 50 0 HHAAMM CCn1c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2n(CC)c1=O ZINC000046009497 558838999 /nfs/dbraw/zinc/83/89/99/558838999.db2.gz SLQBHBFQMZSARX-UHFFFAOYSA-N -1 1 401.532 3.877 50 0 HHAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)N1CCc2ccccc2C1 ZINC000023138392 559019737 /nfs/dbraw/zinc/01/97/37/559019737.db2.gz MRVISMNMTCXXBT-UHFFFAOYSA-N -1 1 409.486 3.741 50 0 HHAAMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(Cl)cc1Br ZINC000096305772 559109053 /nfs/dbraw/zinc/10/90/53/559109053.db2.gz MQKHGBSDNOAEFU-UHFFFAOYSA-N -1 1 404.669 3.910 50 0 HHAAMM COc1ccc(NC(C)=O)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000011658677 559123935 /nfs/dbraw/zinc/12/39/35/559123935.db2.gz SEOZGBKVBMHOHY-UHFFFAOYSA-N -1 1 411.487 3.522 50 0 HHAAMM COc1ccc(NC(C)=O)cc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000011658751 559123978 /nfs/dbraw/zinc/12/39/78/559123978.db2.gz IAMUXPCIJNYMSU-UHFFFAOYSA-N -1 1 411.487 3.522 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000005602626 560629345 /nfs/dbraw/zinc/62/93/45/560629345.db2.gz FUYZZOBWKKDHSX-UHFFFAOYSA-N -1 1 416.524 3.830 50 0 HHAAMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc(OC)c1 ZINC000020218850 560882740 /nfs/dbraw/zinc/88/27/40/560882740.db2.gz KGRDXRXLGKAXQP-UHFFFAOYSA-N -1 1 406.243 3.510 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000046027370 568424371 /nfs/dbraw/zinc/42/43/71/568424371.db2.gz ZAHCMWVLCWGKTQ-UHFFFAOYSA-N -1 1 423.538 3.744 50 0 HHAAMM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000048302768 568437777 /nfs/dbraw/zinc/43/77/77/568437777.db2.gz QZRDWMFNDPRMIP-UHFFFAOYSA-N -1 1 420.775 3.879 50 0 HHAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NCC(C)C)C1)nc2=O ZINC000049421411 568450553 /nfs/dbraw/zinc/45/05/53/568450553.db2.gz SSQSHVOVBSNVJX-INIZCTEOSA-N -1 1 424.570 3.949 50 0 HHAAMM CCCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421135 568450616 /nfs/dbraw/zinc/45/06/16/568450616.db2.gz UUQSJTJONPGIER-INIZCTEOSA-N -1 1 410.543 3.784 50 0 HHAAMM CC(=O)N1CC2=C(C1=O)[C@H](c1ccc([O-])c(Cl)c1)c1cn(C)c3cccc(c13)N2 ZINC000604405135 568492518 /nfs/dbraw/zinc/49/25/18/568492518.db2.gz KTZKRAMIEJWJDV-LJQANCHMSA-N -1 1 407.857 3.738 50 0 HHAAMM CC(C)[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1nc(-c2cccnc2)no1 ZINC000095348982 568600492 /nfs/dbraw/zinc/60/04/92/568600492.db2.gz IYJWMYKQZXVHIX-OAHLLOKOSA-N -1 1 417.263 3.727 50 0 HHAAMM COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)C1=Cc2ccccc2OC1 ZINC000096115266 568694854 /nfs/dbraw/zinc/69/48/54/568694854.db2.gz UDGMNYQONNGTJZ-LJQANCHMSA-N -1 1 420.465 3.837 50 0 biogenic HHAAMM COC(=O)c1nc(NC(=O)c2n[n-]c3c2COc2ccccc2-3)sc1CC(C)C ZINC000096231828 568707576 /nfs/dbraw/zinc/70/75/76/568707576.db2.gz TUXDFUKFQKPATR-UHFFFAOYSA-N -1 1 412.471 3.663 50 0 HHAAMM CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000242191313 568732287 /nfs/dbraw/zinc/73/22/87/568732287.db2.gz XENUWLZAYOIVBA-FQEVSTJZSA-N -1 1 409.467 3.778 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3cccnc3)cc2)cc1C ZINC000012548625 568851541 /nfs/dbraw/zinc/85/15/41/568851541.db2.gz XJBRIKMVJPSFNO-QGZVFWFLSA-N -1 1 409.511 3.990 50 0 HHAAMM O=C([O-])[C@@H]1SC2=NC(=O)SC2[C@H](c2ccco2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000035053066 568872596 /nfs/dbraw/zinc/87/25/96/568872596.db2.gz VLJQADBFDVUVNF-TYNCELHUSA-N -1 1 405.428 3.771 50 0 HHAAMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Br)c3)cc21 ZINC000058151286 568892833 /nfs/dbraw/zinc/89/28/33/568892833.db2.gz VBTMWULKEBKOBU-UHFFFAOYSA-N -1 1 410.293 3.628 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C(=O)Oc2ccccc2)cc1 ZINC000001437540 568964975 /nfs/dbraw/zinc/96/49/75/568964975.db2.gz UKRWZVMPQLELLN-UHFFFAOYSA-N -1 1 424.434 3.751 50 0 biogenic HHAAMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000008237445 568984644 /nfs/dbraw/zinc/98/46/44/568984644.db2.gz QLYVEMODVWVXIN-UHFFFAOYSA-N -1 1 410.495 3.605 50 0 HHAAMM S=C(NCc1ccccc1)Nn1c(=S)[n-]nc1-c1ccc(Br)cc1 ZINC000012377876 568990035 /nfs/dbraw/zinc/99/00/35/568990035.db2.gz FMBUYXXEXPSPQS-UHFFFAOYSA-N -1 1 420.361 3.988 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC000012819588 568991525 /nfs/dbraw/zinc/99/15/25/568991525.db2.gz QZCLMNWMPHEWQN-HOTGVXAUSA-N -1 1 402.516 3.614 50 0 HHAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1 ZINC000015781473 569002576 /nfs/dbraw/zinc/00/25/76/569002576.db2.gz APVXJFOLVOBNCZ-UHFFFAOYSA-N -1 1 422.572 3.542 50 0 HHAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664795 569006676 /nfs/dbraw/zinc/00/66/76/569006676.db2.gz QSINBICZZQVJIX-UHFFFAOYSA-N -1 1 403.407 3.966 50 0 HHAAMM CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=S ZINC000015834783 569013001 /nfs/dbraw/zinc/01/30/01/569013001.db2.gz GGYMJHFHHGHSBO-GFCCVEGCSA-N -1 1 423.336 3.613 50 0 HHAAMM O=C(CSc1nc2c(c(=O)[n-]1)CCC2)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015840323 569013805 /nfs/dbraw/zinc/01/38/05/569013805.db2.gz AWYCURMWXYKTTB-UHFFFAOYSA-N -1 1 403.813 3.662 50 0 HHAAMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)OCCO2 ZINC000006467625 569057940 /nfs/dbraw/zinc/05/79/40/569057940.db2.gz HTUZFCOIHQPOER-UHFFFAOYSA-N -1 1 413.480 3.635 50 0 aggregator HHAAMM Cc1c(S(=O)(=O)[N-]c2cccc(C)c2C)cc(C(=O)N2CCC(C)CC2)n1C ZINC000064922328 569122152 /nfs/dbraw/zinc/12/21/52/569122152.db2.gz DFTDUCNXUIZLNC-UHFFFAOYSA-N -1 1 403.548 3.623 50 0 HHAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1 ZINC000065021055 569154254 /nfs/dbraw/zinc/15/42/54/569154254.db2.gz LURKNNMPYFDDAK-UHFFFAOYSA-N -1 1 414.527 3.970 50 0 HHAAMM COc1cc(C)ccc1OCCSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000006915668 569182162 /nfs/dbraw/zinc/18/21/62/569182162.db2.gz DASXGXMXEIEQIB-UHFFFAOYSA-N -1 1 408.483 3.573 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1F ZINC000065241521 569204219 /nfs/dbraw/zinc/20/42/19/569204219.db2.gz JKPPRRLHEMOFNT-UHFFFAOYSA-N -1 1 413.430 3.712 50 0 HHAAMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007315730 569233233 /nfs/dbraw/zinc/23/32/33/569233233.db2.gz RIDUTRWBUKBSGG-HXUWFJFHSA-N -1 1 405.406 3.506 50 0 HHAAMM C[C@@H](NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(Br)cc1 ZINC000170605459 569244262 /nfs/dbraw/zinc/24/42/62/569244262.db2.gz IBHKIRWDRKZLFX-SNVBAGLBSA-N -1 1 408.321 3.792 50 0 HHAAMM Cc1ccc(CS(=O)(=O)[N-]c2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)c(F)c1 ZINC000170618568 569247965 /nfs/dbraw/zinc/24/79/65/569247965.db2.gz PCYAVCSRCCDXJY-RDTXWAMCSA-N -1 1 415.494 3.619 50 0 HHAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1)NCc1ccccc1Cl ZINC000016851339 569266178 /nfs/dbraw/zinc/26/61/78/569266178.db2.gz HEWCIORKFIGDGS-UHFFFAOYSA-N -1 1 417.893 3.714 50 0 HHAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OC4CCCCC4)cc3)cc2c(=O)[nH]1 ZINC000253537441 569382992 /nfs/dbraw/zinc/38/29/92/569382992.db2.gz YTULRZSAVRLPHV-UHFFFAOYSA-N -1 1 415.471 3.553 50 0 HHAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCCO2 ZINC000067298054 571072275 /nfs/dbraw/zinc/07/22/75/571072275.db2.gz UDZATAJDKFEJFL-ATJXCDBQSA-N -1 1 421.434 3.851 50 0 HHAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCOCc2ccco2)cc1 ZINC000040087286 571157886 /nfs/dbraw/zinc/15/78/86/571157886.db2.gz KJDUFTIESRTDGF-UHFFFAOYSA-N -1 1 400.504 3.622 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccnc2SC(C)C)c1 ZINC000040144927 571195048 /nfs/dbraw/zinc/19/50/48/571195048.db2.gz HKKYYCVVJVRFFN-UHFFFAOYSA-N -1 1 423.560 3.571 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1Cl ZINC000008977119 571197812 /nfs/dbraw/zinc/19/78/12/571197812.db2.gz QDPHPUDTJBCUFP-UHFFFAOYSA-N -1 1 422.934 3.690 50 0 HHAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2OCC(C)(C)C1=O ZINC000009166395 571232762 /nfs/dbraw/zinc/23/27/62/571232762.db2.gz CPTWDKVEWDZAOQ-UHFFFAOYSA-N -1 1 406.479 3.706 50 0 HHAAMM COc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)ccc2O3)cc1OC ZINC000009290403 571245440 /nfs/dbraw/zinc/24/54/40/571245440.db2.gz FKLIMTNFIBYSKA-UHFFFAOYSA-N -1 1 415.243 3.913 50 0 HHAAMM CCc1ccc(OCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)cc1 ZINC000009641084 571275696 /nfs/dbraw/zinc/27/56/96/571275696.db2.gz QUIGCEPLEGAQSE-UHFFFAOYSA-N -1 1 410.474 3.957 50 0 HHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 ZINC000009827891 571286630 /nfs/dbraw/zinc/28/66/30/571286630.db2.gz HEURXKXUFKZACU-UHFFFAOYSA-N -1 1 423.450 3.804 50 0 HHAAMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000010412667 571302188 /nfs/dbraw/zinc/30/21/88/571302188.db2.gz QUDYZCWEEWLJSL-CQSZACIVSA-N -1 1 409.964 3.740 50 0 HHAAMM COc1cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c([O-])c2)cc(OC)c1OC ZINC000032093472 522153003 /nfs/dbraw/zinc/15/30/03/522153003.db2.gz HJTBYCHTGZUVHO-UHFFFAOYSA-N -1 1 421.409 3.874 50 0 HHAAMM CCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4C)ccc3n2)CC1 ZINC000033010344 535743266 /nfs/dbraw/zinc/74/32/66/535743266.db2.gz OGXFQLNUXHGTSW-UHFFFAOYSA-N -1 1 418.497 3.636 50 0 HHAAMM COC(=O)C1=C(Nc2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CSC1 ZINC000001037660 557151360 /nfs/dbraw/zinc/15/13/60/557151360.db2.gz XQPZHYWEPXVMGE-UHFFFAOYSA-N -1 1 424.931 3.727 50 0 HHAAMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000001080735 557175403 /nfs/dbraw/zinc/17/54/03/557175403.db2.gz RKEUTIMZLOTDLS-UHFFFAOYSA-N -1 1 412.511 3.791 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000001147058 557208573 /nfs/dbraw/zinc/20/85/73/557208573.db2.gz HUAFDHZWYKPLLO-UHFFFAOYSA-N -1 1 416.524 3.905 50 0 HHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001438893 557263547 /nfs/dbraw/zinc/26/35/47/557263547.db2.gz MYNRBNOGGOKYFV-UHFFFAOYSA-N -1 1 406.463 3.592 50 0 HHAAMM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccs1 ZINC000002856980 557407585 /nfs/dbraw/zinc/40/75/85/557407585.db2.gz NJSVQQRSDSSTQO-UHFFFAOYSA-N -1 1 417.537 3.676 50 0 HHAAMM COCc1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)OC ZINC000004148275 557520385 /nfs/dbraw/zinc/52/03/85/557520385.db2.gz IZQJYYWCCRGSTI-UHFFFAOYSA-N -1 1 409.847 3.820 50 0 HHAAMM O=C1C[C@H](c2ccc(S(=O)(=O)[N-]c3cccc(/C=C/c4ccncc4)c3)cc2)CN1 ZINC000004708464 557585475 /nfs/dbraw/zinc/58/54/75/557585475.db2.gz OLHDVUHXJNLYKM-SGSXCFNPSA-N -1 1 419.506 3.656 50 0 HHAAMM O=C1C[C@@H](c2ccc(S(=O)(=O)[N-]c3cccc(/C=C/c4ccncc4)c3)cc2)CN1 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CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(OC)c1)C(C(=O)OC)=C(C)N2 ZINC000009569592 557845744 /nfs/dbraw/zinc/84/57/44/557845744.db2.gz QJHOGGHSMAATJU-MRXNPFEDSA-N -1 1 415.515 3.675 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(C)c(Cl)c2)c1 ZINC000012746808 558458329 /nfs/dbraw/zinc/45/83/29/558458329.db2.gz UAQRVAHLPCQEDG-UHFFFAOYSA-N -1 1 424.950 3.956 50 0 HHAAMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(=O)[n-]1 ZINC000072273016 558692880 /nfs/dbraw/zinc/69/28/80/558692880.db2.gz IZYLRJSLQBANRV-UHFFFAOYSA-N -1 1 423.542 3.571 50 0 HHAAMM Cc1nn(C)c(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000029953420 558724846 /nfs/dbraw/zinc/72/48/46/558724846.db2.gz HTBRVVARWCXZCG-UHFFFAOYSA-N -1 1 416.478 3.538 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CC4)CC3)cc2)cc1Cl ZINC000033274760 558764576 /nfs/dbraw/zinc/76/45/76/558764576.db2.gz WGBBDLXLPPSKRX-UHFFFAOYSA-N -1 1 404.919 3.759 50 0 HHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000015980673 558765092 /nfs/dbraw/zinc/76/50/92/558765092.db2.gz KWICJUDPBLZOTP-UHFFFAOYSA-N -1 1 406.817 3.520 50 0 HHAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1O ZINC000016688270 558799920 /nfs/dbraw/zinc/79/99/20/558799920.db2.gz VDECGHQPSPIHBS-UITAMQMPSA-N -1 1 407.254 3.725 50 0 HHAAMM CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CCC1 ZINC000033128566 558882250 /nfs/dbraw/zinc/88/22/50/558882250.db2.gz RZSKQUIIJWCVGS-UHFFFAOYSA-N -1 1 400.544 3.953 50 0 HHAAMM CCOC(=O)C1=C(NC(=O)c2ccc3c(c2)OCCCO3)[N-]c2ccccc2N=C1C ZINC000058406496 558924485 /nfs/dbraw/zinc/92/44/85/558924485.db2.gz HZUWMOSGBYZOQP-UHFFFAOYSA-N -1 1 421.453 3.571 50 0 HHAAMM O=S(=O)([N-]CCCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263891 558966098 /nfs/dbraw/zinc/96/60/98/558966098.db2.gz UVMWPVOILLDUMX-UHFFFAOYSA-N -1 1 400.378 3.865 50 0 HHAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2s1 ZINC000033299044 559048340 /nfs/dbraw/zinc/04/83/40/559048340.db2.gz GZYQIJYODVQNTD-UHFFFAOYSA-N -1 1 424.569 3.898 50 0 HHAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)c(F)c2)n1 ZINC000011854395 559262164 /nfs/dbraw/zinc/26/21/64/559262164.db2.gz CTUKRAKWRNBELL-UHFFFAOYSA-N -1 1 413.409 3.523 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)cc1 ZINC000017304289 560707113 /nfs/dbraw/zinc/70/71/13/560707113.db2.gz WBFAOFXTWBSDRR-UHFFFAOYSA-N -1 1 406.467 3.924 50 0 HHAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000011124648 560771610 /nfs/dbraw/zinc/77/16/10/560771610.db2.gz CKMPCUDYQGVEDE-UHFFFAOYSA-N -1 1 401.802 3.517 50 0 HHAAMM COc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000018076494 560774748 /nfs/dbraw/zinc/77/47/48/560774748.db2.gz HJAHRIAWSDRNJJ-UHFFFAOYSA-N -1 1 410.495 3.768 50 0 HHAAMM Cc1ccc(-n2nc3c4cc(C(=O)N5CCSCC5)ccc4[n-]cc-3c2=O)cc1C ZINC000101827820 560802654 /nfs/dbraw/zinc/80/26/54/560802654.db2.gz GVSAQBCOSODUQU-UHFFFAOYSA-N -1 1 418.522 3.624 50 0 HHAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccco5)ccc4[n-]cc-3c2=O)cc1C ZINC000101828083 560802696 /nfs/dbraw/zinc/80/26/96/560802696.db2.gz NGAGYVTWYTYFPC-UHFFFAOYSA-N -1 1 412.449 3.958 50 0 HHAAMM CCc1ccc(CN(C(=O)c2ccccc2C)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101877892 560804288 /nfs/dbraw/zinc/80/42/88/560804288.db2.gz VGOSGDZXNRKPKJ-UHFFFAOYSA-N -1 1 415.497 3.752 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c1 ZINC000046027373 568424352 /nfs/dbraw/zinc/42/43/52/568424352.db2.gz QUMPNDSYFQCWNN-UHFFFAOYSA-N -1 1 423.538 3.744 50 0 HHAAMM CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c2c(c1=O)CCCC2 ZINC000046027589 568424422 /nfs/dbraw/zinc/42/44/22/568424422.db2.gz OWVKZZQBRAVYTC-UHFFFAOYSA-N -1 1 423.538 3.918 50 0 HHAAMM CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421110 568450419 /nfs/dbraw/zinc/45/04/19/568450419.db2.gz NZOHFYSGCYIDNN-GDBMZVCRSA-N -1 1 410.543 3.783 50 0 HHAAMM CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421112 568450448 /nfs/dbraw/zinc/45/04/48/568450448.db2.gz NZOHFYSGCYIDNN-ZBFHGGJFSA-N -1 1 410.543 3.783 50 0 HHAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NC(C)C)C1)nc2=O ZINC000049421409 568450569 /nfs/dbraw/zinc/45/05/69/568450569.db2.gz CTGPLWGHJOMITM-HNNXBMFYSA-N -1 1 410.543 3.701 50 0 HHAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC(C)C)C2)nc3=O)cc1 ZINC000049421242 568450586 /nfs/dbraw/zinc/45/05/86/568450586.db2.gz FWXBOCOCBMQDNX-INIZCTEOSA-N -1 1 410.543 3.701 50 0 HHAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)C1=Cc2ccccc2OC1 ZINC000096115265 568694896 /nfs/dbraw/zinc/69/48/96/568694896.db2.gz UDGMNYQONNGTJZ-IBGZPJMESA-N -1 1 420.465 3.837 50 0 biogenic HHAAMM O=S(=O)([N-]c1ccccc1Cc1nc(-c2ccco2)no1)c1ccc2c(c1)CCO2 ZINC000096119719 568699097 /nfs/dbraw/zinc/69/90/97/568699097.db2.gz CCYFXYMCKWATKN-UHFFFAOYSA-N -1 1 423.450 3.656 50 0 HHAAMM COc1ccc(-c2noc(CSc3nc(-c4ccc(F)cc4)cc(=O)[n-]3)n2)cc1 ZINC000012415000 568717527 /nfs/dbraw/zinc/71/75/27/568717527.db2.gz ZTTQQQMKWRHNCC-UHFFFAOYSA-N -1 1 410.430 3.927 50 0 HHAAMM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c2)no1 ZINC000021701765 568741646 /nfs/dbraw/zinc/74/16/46/568741646.db2.gz NAVLODVSFLCRDM-UHFFFAOYSA-N -1 1 414.306 3.978 50 0 HHAAMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)CC)CCC3)cc1 ZINC000021756690 568752089 /nfs/dbraw/zinc/75/20/89/568752089.db2.gz JVORVVCJMOFXPW-UHFFFAOYSA-N -1 1 402.516 3.965 50 0 HHAAMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1O ZINC000086057182 568753874 /nfs/dbraw/zinc/75/38/74/568753874.db2.gz OKSCTXFTYUEFBD-OAHLLOKOSA-N -1 1 423.494 3.559 50 0 HHAAMM C[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000012547467 568851422 /nfs/dbraw/zinc/85/14/22/568851422.db2.gz ASIFHYQHWJSVCH-CYBMUJFWSA-N -1 1 410.528 3.732 50 0 HHAAMM O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000003225424 568864039 /nfs/dbraw/zinc/86/40/39/568864039.db2.gz QJDAVLQDXOEKNH-UHFFFAOYSA-N -1 1 418.475 3.608 50 0 HHAAMM O=C(NCCCOC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012630728 568883459 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422.510 3.606 50 0 HHAAMM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000002184791 557324024 /nfs/dbraw/zinc/32/40/24/557324024.db2.gz ZUWGOLLTNKVNEK-UHFFFAOYSA-N -1 1 423.874 3.999 50 0 HHAAMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000004618370 557573131 /nfs/dbraw/zinc/57/31/31/557573131.db2.gz LMVZNSWIECLKFN-UHFFFAOYSA-N -1 1 412.467 3.757 50 0 HHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2C)c1 ZINC000004742559 557591487 /nfs/dbraw/zinc/59/14/87/557591487.db2.gz TVCBXZOWKJNZNR-UHFFFAOYSA-N -1 1 409.511 3.738 50 0 HHAAMM CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1 ZINC000005193330 557639598 /nfs/dbraw/zinc/63/95/98/557639598.db2.gz VGUGNHBCNUJMCA-CQSZACIVSA-N -1 1 405.520 3.930 50 0 HHAAMM CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc([S-])n32)CO1 ZINC000005611222 557665163 /nfs/dbraw/zinc/66/51/63/557665163.db2.gz BYPIQBYLJZTMDQ-AWEZNQCLSA-N -1 1 412.540 3.540 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)c1C 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ZINC000002230060 569317640 /nfs/dbraw/zinc/31/76/40/569317640.db2.gz UZOWFNLJNZHOAX-HXUWFJFHSA-N -1 1 412.540 3.684 50 0 HHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000012507975 569401728 /nfs/dbraw/zinc/40/17/28/569401728.db2.gz UDWOEVUMCPLUNK-IYBDPMFKSA-N -1 1 402.516 3.614 50 0 HHAAMM O=C1CCSc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2N1 ZINC000008598186 571088399 /nfs/dbraw/zinc/08/83/99/571088399.db2.gz UBPGEVHJKXRJSR-UHFFFAOYSA-N -1 1 402.419 3.941 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1F ZINC000008840938 571124066 /nfs/dbraw/zinc/12/40/66/571124066.db2.gz FCXRCBLCQWVLRU-UHFFFAOYSA-N -1 1 420.506 3.960 50 0 HHAAMM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1cccc(OC(F)(F)F)c1 ZINC000040062881 571147599 /nfs/dbraw/zinc/14/75/99/571147599.db2.gz CSUVEAXATKQFGI-INIZCTEOSA-N -1 1 417.405 3.944 50 0 HHAAMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)C(C)C)CC2 ZINC000008977118 571197868 /nfs/dbraw/zinc/19/78/68/571197868.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 ZINC000005136515 132302530 /nfs/dbraw/zinc/30/25/30/132302530.db2.gz CPQJQDQEJZFXBH-UHFFFAOYSA-N -1 1 412.467 3.682 50 0 HHAAMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000005262304 132304438 /nfs/dbraw/zinc/30/44/38/132304438.db2.gz REOIWJBCFXCZDE-UHFFFAOYSA-N -1 1 414.449 3.905 50 0 HHAAMM COC(=O)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000032930120 521977191 /nfs/dbraw/zinc/97/71/91/521977191.db2.gz WWNHNSMRRNNQQK-UHFFFAOYSA-N -1 1 410.451 3.526 50 0 HHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CCS2 ZINC000032943969 524303019 /nfs/dbraw/zinc/30/30/19/524303019.db2.gz YSCIQJPSGFEUME-UHFFFAOYSA-N -1 1 402.541 3.953 50 0 HHAAMM CC(=O)N(C(=O)c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000640379 557032287 /nfs/dbraw/zinc/03/22/87/557032287.db2.gz LTDRBZWOKYBWKH-UHFFFAOYSA-N -1 1 408.479 3.989 50 0 HHAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1n[n-]c(=S)n1C[C@H]1CCCO1 ZINC000001035917 557150547 /nfs/dbraw/zinc/15/05/47/557150547.db2.gz GHLAVYDIUZYCRB-CVEARBPZSA-N -1 1 404.536 3.928 50 0 HHAAMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000001196799 557237978 /nfs/dbraw/zinc/23/79/78/557237978.db2.gz QLYMVBMESYCVIC-UHFFFAOYSA-N -1 1 410.451 3.526 50 0 HHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1 ZINC000001425386 557261393 /nfs/dbraw/zinc/26/13/93/557261393.db2.gz CLHJUQSPWWCQJD-UHFFFAOYSA-N -1 1 405.483 3.747 50 0 HHAAMM Cc1cc(=O)n2c3c1cc(S(=O)(=O)[N-]c1cccc(F)c1C)c(C)c3CCC2 ZINC000004751737 557593110 /nfs/dbraw/zinc/59/31/10/557593110.db2.gz JVZSJFYAIBKESH-UHFFFAOYSA-N -1 1 400.475 3.813 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C(C(=O)OCC)=C(C)N2 ZINC000008132270 557773094 /nfs/dbraw/zinc/77/30/94/557773094.db2.gz BGQLHZDYBVLHQL-OAHLLOKOSA-N -1 1 403.479 3.806 50 0 HHAAMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCC3)c1)c1cc(Cl)cc(Cl)c1 ZINC000012631443 558442071 /nfs/dbraw/zinc/44/20/71/558442071.db2.gz HQRNDCXFVNIMDD-UHFFFAOYSA-N -1 1 409.298 3.999 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Cc3ccc(F)cc3)c2)cc1 ZINC000027496348 558673769 /nfs/dbraw/zinc/67/37/69/558673769.db2.gz VRWPSQVGJHRLFC-UHFFFAOYSA-N -1 1 414.458 3.816 50 0 HHAAMM CCO[N-]C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000029569441 558717105 /nfs/dbraw/zinc/71/71/05/558717105.db2.gz ILYLSRGPOXOFHP-XMSQKQJNSA-N -1 1 412.486 3.564 50 0 HHAAMM Cc1cc(=O)[n-]c(SCCOCCOc2ccccc2OCc2ccccc2)n1 ZINC000016381888 558788804 /nfs/dbraw/zinc/78/88/04/558788804.db2.gz SZGLHMPSGKXMCN-UHFFFAOYSA-N -1 1 412.511 3.845 50 0 HHAAMM CC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000017091496 558820114 /nfs/dbraw/zinc/82/01/14/558820114.db2.gz CQWJQRSBPZLAEU-UHFFFAOYSA-N -1 1 418.540 3.717 50 0 HHAAMM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc2sc(NC(C)=O)nc21 ZINC000033007915 558828703 /nfs/dbraw/zinc/82/87/03/558828703.db2.gz HXYUGJRHBKMMJP-UHFFFAOYSA-N -1 1 419.528 3.989 50 0 HHAAMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1ccc(Br)cc1 ZINC000018115246 558831315 /nfs/dbraw/zinc/83/13/15/558831315.db2.gz BMZQTPIUCITDJP-UHFFFAOYSA-N -1 1 408.199 3.694 50 0 HHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(CC)n3)ccc2C)cc1 ZINC000033086465 558870998 /nfs/dbraw/zinc/87/09/98/558870998.db2.gz GGHUCZAPGKSCII-UHFFFAOYSA-N -1 1 415.471 3.585 50 0 HHAAMM COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000021784771 558949911 /nfs/dbraw/zinc/94/99/11/558949911.db2.gz YMBVZECLUYWJER-MRXNPFEDSA-N -1 1 423.494 3.559 50 0 HHAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c(F)c1 ZINC000328593901 559166981 /nfs/dbraw/zinc/16/69/81/559166981.db2.gz XMTFUDQTVJIRTF-UHFFFAOYSA-N -1 1 422.659 3.829 50 0 HHAAMM Cc1cc(=O)n2c(-c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)csc2n1 ZINC000011696316 559189407 /nfs/dbraw/zinc/18/94/07/559189407.db2.gz VMSZJJQXWGCORW-UHFFFAOYSA-N -1 1 415.471 3.671 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc1Cl ZINC000005153931 559254315 /nfs/dbraw/zinc/25/43/15/559254315.db2.gz HJQRIPINTJWJDE-NSHDSACASA-N -1 1 406.891 3.546 50 0 HHAAMM CC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000011855377 559262384 /nfs/dbraw/zinc/26/23/84/559262384.db2.gz ZOZKNTNRBXGCAD-UHFFFAOYSA-N -1 1 405.483 3.542 50 0 HHAAMM CC[C@@H](C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000012008363 559271158 /nfs/dbraw/zinc/27/11/58/559271158.db2.gz BAEKXXANMGZTRV-QGZVFWFLSA-N -1 1 417.469 3.965 50 0 HHAAMM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)nn1 ZINC000005204203 560538476 /nfs/dbraw/zinc/53/84/76/560538476.db2.gz NCZWZPGNLRJLQU-UHFFFAOYSA-N -1 1 409.389 3.972 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)cc1 ZINC000005204100 560538480 /nfs/dbraw/zinc/53/84/80/560538480.db2.gz NKUNDYXYYUACPG-UHFFFAOYSA-N -1 1 413.524 3.993 50 0 HHAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000017783771 560728241 /nfs/dbraw/zinc/72/82/41/560728241.db2.gz KERNKEUSBXMSQX-BDTNDASRSA-N -1 1 400.434 3.746 50 0 HHAAMM COc1ccc2nc(-c3cccc([N-]S(=O)(=O)c4cccc(Cl)c4)c3)cn2n1 ZINC000011693553 560773681 /nfs/dbraw/zinc/77/36/81/560773681.db2.gz KYFUCNGLWDLFMP-UHFFFAOYSA-N -1 1 414.874 3.859 50 0 HHAAMM Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860701 560803943 /nfs/dbraw/zinc/80/39/43/560803943.db2.gz ZTOINRKPCMHJAA-UHFFFAOYSA-N -1 1 421.888 3.843 50 0 HHAAMM Cc1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)c1 ZINC000101860717 560803978 /nfs/dbraw/zinc/80/39/78/560803978.db2.gz KFUXJPULHHNVOR-UHFFFAOYSA-N -1 1 421.888 3.843 50 0 HHAAMM CCc1ccc(CN(C(=O)c2ccccc2F)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101877899 560804246 /nfs/dbraw/zinc/80/42/46/560804246.db2.gz VRQHDPMJKWWKKL-UHFFFAOYSA-N -1 1 419.460 3.583 50 0 HHAAMM COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000102734384 560822769 /nfs/dbraw/zinc/82/27/69/560822769.db2.gz ODAQEXPEXRLXOF-YPAWHYETSA-N -1 1 400.434 3.746 50 0 HHAAMM CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccco5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282317 560851649 /nfs/dbraw/zinc/85/16/49/560851649.db2.gz SCTYPNFSRJRJBA-UHFFFAOYSA-N -1 1 412.449 3.904 50 0 HHAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000045900636 568421471 /nfs/dbraw/zinc/42/14/71/568421471.db2.gz PALUIDHNSXXWPG-UHFFFAOYSA-N -1 1 409.511 3.679 50 0 HHAAMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000046017624 568423742 /nfs/dbraw/zinc/42/37/42/568423742.db2.gz YHTSSBIXQJHARW-UHFFFAOYSA-N -1 1 420.512 3.621 50 0 HHAAMM COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)no2)cc1OC ZINC000113929075 568453765 /nfs/dbraw/zinc/45/37/65/568453765.db2.gz QPIKBLDPZIJNQR-UHFFFAOYSA-N -1 1 422.466 3.796 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 ZINC000005204351 568455408 /nfs/dbraw/zinc/45/54/08/568455408.db2.gz VQZZDHYWNGGTQZ-UHFFFAOYSA-N -1 1 405.479 3.803 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C ZINC000000713242 568465087 /nfs/dbraw/zinc/46/50/87/568465087.db2.gz XTRMNZHDEUERHY-UHFFFAOYSA-N -1 1 406.463 3.905 50 0 HHAAMM O=C1C[C@H](c2ccncc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096114080 568693561 /nfs/dbraw/zinc/69/35/61/568693561.db2.gz AKKAXDSVHZVKEX-OAHLLOKOSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccncc1)CC(=O)O2 ZINC000096114080 568693565 /nfs/dbraw/zinc/69/35/65/568693565.db2.gz AKKAXDSVHZVKEX-OAHLLOKOSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM O=C1C[C@H](c2cccnc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115410 568694864 /nfs/dbraw/zinc/69/48/64/568694864.db2.gz PERJESDTIZGRGN-OAHLLOKOSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1cccnc1)CC(=O)O2 ZINC000096115410 568694866 /nfs/dbraw/zinc/69/48/66/568694866.db2.gz PERJESDTIZGRGN-OAHLLOKOSA-N -1 1 401.374 3.707 50 0 biogenic HHAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCCCOc1ccc(F)cc1 ZINC000012392897 568696427 /nfs/dbraw/zinc/69/64/27/568696427.db2.gz QBJYZCBDLNSFNE-UHFFFAOYSA-N -1 1 406.508 3.784 50 0 HHAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc3c(c2)OCCO3)S1 ZINC000096117326 568696664 /nfs/dbraw/zinc/69/66/64/568696664.db2.gz GWUINYOZTVCKKI-KSSFIOAISA-N -1 1 415.515 3.964 50 0 HHAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3cccs3)nn2c(=O)c1C ZINC000021660237 568735700 /nfs/dbraw/zinc/73/57/00/568735700.db2.gz UYOIHYCGTIESIV-UHFFFAOYSA-N -1 1 413.890 3.596 50 0 HHAAMM Cc1ccc2oc(-c3cc(NC(=O)c4cccc(-n5cnnc5)n4)ccc3[O-])nc2c1 ZINC000021721084 568750605 /nfs/dbraw/zinc/75/06/05/568750605.db2.gz NMFUITNJBZASOD-UHFFFAOYSA-N -1 1 412.409 3.737 50 0 HHAAMM O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc([O-])cc1O ZINC000002617435 568785973 /nfs/dbraw/zinc/78/59/73/568785973.db2.gz NHSNFEJSWGXSJO-ZDUSSCGKSA-N -1 1 417.512 3.572 50 0 HHAAMM O=C(NCCc1c[nH]c2ccccc12)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000012532647 568844548 /nfs/dbraw/zinc/84/45/48/568844548.db2.gz IQCGRWUFHAMPNK-UHFFFAOYSA-N -1 1 419.506 3.941 50 0 HHAAMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012604870 568870810 /nfs/dbraw/zinc/87/08/10/568870810.db2.gz XRVWGIGUPWPCDC-UHFFFAOYSA-N -1 1 404.488 3.633 50 0 HHAAMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])cn1 ZINC000012743061 568930075 /nfs/dbraw/zinc/93/00/75/568930075.db2.gz YOBXCLSDWBGPLN-UHFFFAOYSA-N -1 1 417.874 3.802 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1Cl ZINC000015730491 568980970 /nfs/dbraw/zinc/98/09/70/568980970.db2.gz IFGAZQNGWRIUTQ-JTQLQIEISA-N -1 1 412.920 3.972 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1 ZINC000085664606 569006535 /nfs/dbraw/zinc/00/65/35/569006535.db2.gz DDRWLHHKICGTAL-UHFFFAOYSA-N -1 1 403.407 3.966 50 0 HHAAMM CCOC(=O)C1=C(NC(=O)c2ccc(OC)c(OC)c2)[N-]c2ccccc2N=C1CC ZINC000006543357 569064938 /nfs/dbraw/zinc/06/49/38/569064938.db2.gz TXLDHTYETZOMOD-UHFFFAOYSA-N -1 1 423.469 3.817 50 0 HHAAMM Cc1nc2[n-]c(N(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C ZINC000064791783 569095821 /nfs/dbraw/zinc/09/58/21/569095821.db2.gz BVYKPTCOMMGLBJ-UHFFFAOYSA-N -1 1 407.861 3.535 50 0 HHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)ccc21 ZINC000064861585 569110495 /nfs/dbraw/zinc/11/04/95/569110495.db2.gz GQYJTASUHFPLDD-UHFFFAOYSA-N -1 1 407.923 3.931 50 0 HHAAMM Cc1c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc(C(=O)N2CCCCC2)n1C ZINC000064922249 569122211 /nfs/dbraw/zinc/12/22/11/569122211.db2.gz QSKSUQLWMQRYDT-UHFFFAOYSA-N -1 1 403.548 3.686 50 0 HHAAMM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)nn12 ZINC000064983824 569144689 /nfs/dbraw/zinc/14/46/89/569144689.db2.gz UIVFFCKBPPXOAA-UHFFFAOYSA-N -1 1 407.499 3.826 50 0 HHAAMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)c(C)c1 ZINC000006867779 569159220 /nfs/dbraw/zinc/15/92/20/569159220.db2.gz ZLHUHLKGTHXMST-AWEZNQCLSA-N -1 1 402.541 3.796 50 0 HHAAMM C[C@H]1CN2C(=O)Cc3c2c(ccc3S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)S1 ZINC000006867800 569159237 /nfs/dbraw/zinc/15/92/37/569159237.db2.gz BYMPZDMPCZJFEQ-VIFPVBQESA-N -1 1 412.895 3.663 50 0 HHAAMM O=C(NC1CC1)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000065074495 569169037 /nfs/dbraw/zinc/16/90/37/569169037.db2.gz RMNGPQOVLSIAHK-UHFFFAOYSA-N -1 1 409.467 3.567 50 0 HHAAMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1 ZINC000065115185 569179274 /nfs/dbraw/zinc/17/92/74/569179274.db2.gz ZKOQIJPHGIVSGT-UHFFFAOYSA-N -1 1 413.499 3.988 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1C ZINC000007054478 569214340 /nfs/dbraw/zinc/21/43/40/569214340.db2.gz OSYJOJKCHNKEJJ-HNNXBMFYSA-N -1 1 422.572 3.525 50 0 HHAAMM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(Br)c1OC ZINC000002237079 569322042 /nfs/dbraw/zinc/32/20/42/569322042.db2.gz IAVVBHDLIRGDDR-KPKJPENVSA-N -1 1 414.281 3.501 50 0 HHAAMM CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(Br)c1OC ZINC000002237079 569322043 /nfs/dbraw/zinc/32/20/43/569322043.db2.gz IAVVBHDLIRGDDR-KPKJPENVSA-N -1 1 414.281 3.501 50 0 HHAAMM Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cn1 ZINC000253410093 569366633 /nfs/dbraw/zinc/36/66/33/569366633.db2.gz MVLZRHJIQUMZRO-CQSZACIVSA-N -1 1 422.824 3.994 50 0 biogenic HHAAMM CCCCn1c([O-])c(C(=O)Nc2ccsc2C(=O)OC)c(=O)c2ccccc21 ZINC000002290991 569368976 /nfs/dbraw/zinc/36/89/76/569368976.db2.gz VCISLMABLWYNMA-UHFFFAOYSA-N -1 1 400.456 3.608 50 0 HHAAMM NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013098992 569409142 /nfs/dbraw/zinc/40/91/42/569409142.db2.gz WHGIUHCLWXUBAJ-UHFFFAOYSA-N -1 1 412.311 3.624 50 0 HHAAMM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2)cs1 ZINC000013358076 569411520 /nfs/dbraw/zinc/41/15/20/569411520.db2.gz GWNKNYPEDPYBGP-UHFFFAOYSA-N -1 1 402.497 3.999 50 0 HHAAMM COC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067293265 571069162 /nfs/dbraw/zinc/06/91/62/571069162.db2.gz XSVWVLGQVXZKSQ-LVWGJNHUSA-N -1 1 415.405 3.805 50 0 HHAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1O ZINC000008614094 571095389 /nfs/dbraw/zinc/09/53/89/571095389.db2.gz HIOZZIHHZYHTFN-OAHLLOKOSA-N -1 1 423.494 3.641 50 0 HHAAMM COc1ccc2c(CCNC(=O)CCc3c(C)c4ccc([O-])cc4oc3=O)c[nH]c2c1 ZINC000008764895 571115061 /nfs/dbraw/zinc/11/50/61/571115061.db2.gz CAFPOBRCAMBWTF-UHFFFAOYSA-N -1 1 420.465 3.588 50 0 biogenic HHAAMM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000040062879 571147674 /nfs/dbraw/zinc/14/76/74/571147674.db2.gz GABYDEMHRQQRNF-MRXNPFEDSA-N -1 1 417.405 3.944 50 0 HHAAMM O=C1C[C@@H](c2ccc(O)cc2)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000009316236 571247508 /nfs/dbraw/zinc/24/75/08/571247508.db2.gz IVNQTVMNEMTQLB-HNNXBMFYSA-N -1 1 413.886 3.895 50 0 HHAAMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3C)ccc21 ZINC000009560774 571268421 /nfs/dbraw/zinc/26/84/21/571268421.db2.gz DYGLQELTWRATPJ-UHFFFAOYSA-N -1 1 423.332 3.857 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)cc1 ZINC000009572146 571269059 /nfs/dbraw/zinc/26/90/59/571269059.db2.gz HZCAFQBECRZJKH-UHFFFAOYSA-N -1 1 408.483 3.904 50 0 HHAAMM Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(N)cc(=O)[n-]4)cc3)sc2c1 ZINC000009716106 571281744 /nfs/dbraw/zinc/28/17/44/571281744.db2.gz ARYCTTPQCWRUOC-UHFFFAOYSA-N -1 1 423.523 3.668 50 0 HHAAMM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)cc1 ZINC000010251473 571298184 /nfs/dbraw/zinc/29/81/84/571298184.db2.gz JMYPMBWNWXWBSR-UHFFFAOYSA-N -1 1 414.252 3.581 50 0 HHAAMM C[C@@H](c1ccccc1)N1C(=O)[N-]C(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009111254 132336000 /nfs/dbraw/zinc/33/60/00/132336000.db2.gz BAEMMJSJZNOQOZ-IVCQMTBJSA-N -1 1 413.477 3.658 50 0 HHAAMM COc1ccc(-c2nc(CSc3nc4c(c(=O)[n-]3)CCCC4)c(C)o2)c(OC)c1 ZINC000045924827 523214757 /nfs/dbraw/zinc/21/47/57/523214757.db2.gz ZKQUXZZAOFTDCU-UHFFFAOYSA-N -1 1 413.499 3.922 50 0 HHAAMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CCS3)cc1 ZINC000032943970 523995524 /nfs/dbraw/zinc/99/55/24/523995524.db2.gz BFVSINRLWAEHIN-UHFFFAOYSA-N -1 1 402.541 3.899 50 0 HHAAMM Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032585727 524900787 /nfs/dbraw/zinc/90/07/87/524900787.db2.gz IVDNJUCTALZKCK-UHFFFAOYSA-N -1 1 410.698 3.971 50 0 HHAAMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000032659174 527173740 /nfs/dbraw/zinc/17/37/40/527173740.db2.gz KQVFUBTZAKXEME-UHFFFAOYSA-N -1 1 408.785 3.645 50 0 HHAAMM Cn1nccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000031970275 527591041 /nfs/dbraw/zinc/59/10/41/527591041.db2.gz PJCNRDWOUINEFW-CMDGGOBGSA-N -1 1 416.890 3.526 50 0 HHAAMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c3cccc1c23 ZINC000002685276 557367519 /nfs/dbraw/zinc/36/75/19/557367519.db2.gz RQCBFHQRQXKBBU-UHFFFAOYSA-N -1 1 403.257 3.969 50 0 HHAAMM Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000002872517 557415416 /nfs/dbraw/zinc/41/54/16/557415416.db2.gz DQFPQNCKTCSSLG-UHFFFAOYSA-N -1 1 405.863 3.998 50 0 HHAAMM COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000003223895 557459503 /nfs/dbraw/zinc/45/95/03/557459503.db2.gz NPCYOHALOPYPFV-UHFFFAOYSA-N -1 1 406.243 3.510 50 0 HHAAMM CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)c2c(=O)[n-]c(SCC(C)C)nc2N1 ZINC000004292303 557536808 /nfs/dbraw/zinc/53/68/08/557536808.db2.gz APHHAGGJBUDGEZ-INIZCTEOSA-N -1 1 414.531 3.696 50 0 HHAAMM COc1ccc(-c2nc([O-])c(CC(=O)Nc3ccc(Br)cc3)s2)cc1 ZINC000013164470 558524979 /nfs/dbraw/zinc/52/49/79/558524979.db2.gz INWQAFUWIMXJTL-OAHLLOKOSA-N -1 1 419.300 3.875 50 0 HHAAMM Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3[O-])s2)c(C)c1 ZINC000024833699 558615685 /nfs/dbraw/zinc/61/56/85/558615685.db2.gz VLVFEPQORASXKO-UHFFFAOYSA-N -1 1 414.512 3.844 50 0 HHAAMM Cc1noc(C)c1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000014112855 558621031 /nfs/dbraw/zinc/62/10/31/558621031.db2.gz HRAXOZFJHZBTQT-UHFFFAOYSA-N -1 1 419.890 3.927 50 0 HHAAMM COCCOc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1OC ZINC000024956005 558622332 /nfs/dbraw/zinc/62/23/32/558622332.db2.gz QXLZRZFFLMOTNF-UHFFFAOYSA-N -1 1 405.394 3.540 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cn3)cc2)cc1 ZINC000024982369 558624387 /nfs/dbraw/zinc/62/43/87/558624387.db2.gz OFSYFXUOEZSAPZ-UHFFFAOYSA-N -1 1 411.483 3.842 50 0 HHAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCCC3)O4)ccc2N1 ZINC000028791223 558704568 /nfs/dbraw/zinc/70/45/68/558704568.db2.gz HIJWAUYUKBDXMW-UHFFFAOYSA-N -1 1 414.483 3.804 50 0 HHAAMM CCOc1cc2c(cc1OCC)[C@H](c1ccc(O[C@H](C)C(=O)[O-])c(OC)c1)NCC2 ZINC000004577261 558751644 /nfs/dbraw/zinc/75/16/44/558751644.db2.gz IVBZRRPQMYUONV-PEBXRYMYSA-N -1 1 415.486 3.580 50 0 HHAAMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)c(C)cc1C ZINC000004809300 558780962 /nfs/dbraw/zinc/78/09/62/558780962.db2.gz HRZQVOLKUHVASI-UHFFFAOYSA-N -1 1 408.483 3.823 50 0 HHAAMM COc1cc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c(C)cc1C ZINC000004809177 558780968 /nfs/dbraw/zinc/78/09/68/558780968.db2.gz VMFJTTLAHRFUDD-UHFFFAOYSA-N -1 1 408.483 3.823 50 0 HHAAMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000032977188 558803453 /nfs/dbraw/zinc/80/34/53/558803453.db2.gz BODLYYDQXGLRCR-UHFFFAOYSA-N -1 1 412.467 3.552 50 0 HHAAMM CCc1c(C)sc2[n-]c(=S)n(NC(=O)CSCc3ccccc3)c(=O)c21 ZINC000017083250 558815781 /nfs/dbraw/zinc/81/57/81/558815781.db2.gz GBORGJSDNRXKEJ-UHFFFAOYSA-N -1 1 405.570 3.995 50 0 HHAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000017093352 558821850 /nfs/dbraw/zinc/82/18/50/558821850.db2.gz VHZJQBWKXBKGSM-UHFFFAOYSA-N -1 1 422.915 3.942 50 0 HHAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(F)cc3)cc2OC)s1 ZINC000033007868 558828733 /nfs/dbraw/zinc/82/87/33/558828733.db2.gz QTUHTIPHPRNSAT-UHFFFAOYSA-N -1 1 409.464 3.593 50 0 HHAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCc2ccccc21 ZINC000033026893 558847973 /nfs/dbraw/zinc/84/79/73/558847973.db2.gz HKFRXUVIUODZRO-UHFFFAOYSA-N -1 1 414.433 3.969 50 0 HHAAMM O=S(=O)([N-]Cc1ccc(Oc2cccc(F)c2)nc1)c1ccc(F)c(F)c1F ZINC000058358142 558921706 /nfs/dbraw/zinc/92/17/06/558921706.db2.gz XPIHKUHCGUVMOL-UHFFFAOYSA-N -1 1 412.364 3.909 50 0 HHAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000021756859 558948315 /nfs/dbraw/zinc/94/83/15/558948315.db2.gz QFRCGIQPCIQSGV-UHFFFAOYSA-N -1 1 402.516 3.536 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000022024496 558985067 /nfs/dbraw/zinc/98/50/67/558985067.db2.gz DRKFITHKUPAIEI-CQSZACIVSA-N -1 1 408.545 3.542 50 0 HHAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101104972 559143399 /nfs/dbraw/zinc/14/33/99/559143399.db2.gz VGAJYRKEVKPHAO-YPAWHYETSA-N -1 1 400.434 3.746 50 0 HHAAMM CC(C)Oc1cccnc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408526064 559215301 /nfs/dbraw/zinc/21/53/01/559215301.db2.gz UTOQVWYOSWIYDP-UHFFFAOYSA-N -1 1 411.483 3.922 50 0 HHAAMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000095458378 568618875 /nfs/dbraw/zinc/61/88/75/568618875.db2.gz AZPUVCKTRQMCEZ-UHFFFAOYSA-N -1 1 405.141 3.584 50 0 HHAAMM O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000017304293 560707102 /nfs/dbraw/zinc/70/71/02/560707102.db2.gz KNJGEQRGLPJKRG-UHFFFAOYSA-N -1 1 410.430 3.755 50 0 HHAAMM Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4ccc(C(C)(C)C)cc4)c([O-])c-3c2=O)n1 ZINC000018063689 560774453 /nfs/dbraw/zinc/77/44/53/560774453.db2.gz HOKLKGIUOFXFKL-UHFFFAOYSA-N -1 1 417.513 3.611 50 0 HHAAMM Cc1nc2[n-]c(NC(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000101809808 560802272 /nfs/dbraw/zinc/80/22/72/560802272.db2.gz JYWDXCHJRFMNNM-UHFFFAOYSA-N -1 1 415.497 3.867 50 0 HHAAMM CCOc1ccc(CN(C(=O)C2CCCCC2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101878140 560852427 /nfs/dbraw/zinc/85/24/27/560852427.db2.gz IQLBOOYYQHSACE-UHFFFAOYSA-N -1 1 423.517 3.547 50 0 HHAAMM CCCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012125586 560889636 /nfs/dbraw/zinc/88/96/36/560889636.db2.gz LRCUDWZAPMPLOC-UHFFFAOYSA-N -1 1 403.442 3.784 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3C)cc1Cl ZINC000046053920 568425575 /nfs/dbraw/zinc/42/55/75/568425575.db2.gz HMDVNDXFAAFPTP-UHFFFAOYSA-N -1 1 406.891 3.919 50 0 HHAAMM O=C([C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)N1CCCCC1 ZINC000049421354 568450592 /nfs/dbraw/zinc/45/05/92/568450592.db2.gz NFVMRXZZRIEHAJ-KRWDZBQOSA-N -1 1 422.554 3.881 50 0 HHAAMM O=S(=O)([N-]c1cnc[nH]1)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000225392273 568633820 /nfs/dbraw/zinc/63/38/20/568633820.db2.gz NXEJYGBPBBJILH-UHFFFAOYSA-N -1 1 412.240 3.904 50 0 HHAAMM O=S(=O)([N-]c1ccc(Cl)c(CN2CCOCC2)c1)c1cccc2ncccc21 ZINC000225478496 568641631 /nfs/dbraw/zinc/64/16/31/568641631.db2.gz JSUZXESKLFEPEM-UHFFFAOYSA-N -1 1 417.918 3.521 50 0 HHAAMM C[C@H]1CC(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C[C@H](C)O1 ZINC000225623962 568658157 /nfs/dbraw/zinc/65/81/57/568658157.db2.gz RKUHIYNYQJOPTG-STQMWFEESA-N -1 1 418.440 3.856 50 0 HHAAMM COC(=O)C[C@H](c1c[nH]nc1-c1ccccc1)c1c(=O)[nH][n-]c1Cc1ccccc1 ZINC000096117580 568696904 /nfs/dbraw/zinc/69/69/04/568696904.db2.gz AKIRAFSCMSJWPI-QGZVFWFLSA-N -1 1 402.454 3.791 50 0 HHAAMM COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccccc1)c1c(Cl)nc2sccn21 ZINC000096117361 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/nfs/dbraw/zinc/45/40/82/558454082.db2.gz NIVOHZWLUGLKRH-UHFFFAOYSA-N -1 1 420.494 3.735 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000013040224 558506740 /nfs/dbraw/zinc/50/67/40/558506740.db2.gz UCNVJDFLJNJUIE-UHFFFAOYSA-N -1 1 422.572 3.669 50 0 HHAAMM CCc1cc2c(COC(=O)c3ccc(CN4CCCC4=O)cc3)cc(=O)oc2cc1[O-] ZINC000023064266 558532800 /nfs/dbraw/zinc/53/28/00/558532800.db2.gz NOPQZLVYJGVDSZ-UHFFFAOYSA-N -1 1 421.449 3.540 50 0 HHAAMM COC(=O)c1ccc(Cl)cc1NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O ZINC000013735621 558588368 /nfs/dbraw/zinc/58/83/68/558588368.db2.gz WZSLSQOEAIYGGM-UHFFFAOYSA-N -1 1 415.829 3.818 50 0 HHAAMM CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000024431971 558597367 /nfs/dbraw/zinc/59/73/67/558597367.db2.gz SRHCOCZZUHPZDS-UHFFFAOYSA-N -1 1 410.879 3.824 50 0 HHAAMM Cn1cnc(S(=O)(=O)[N-]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1Cl ZINC000027944771 558685001 /nfs/dbraw/zinc/68/50/01/558685001.db2.gz VKBXKYIUUZLXEE-INIZCTEOSA-N -1 1 414.918 3.665 50 0 HHAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000028260253 558694028 /nfs/dbraw/zinc/69/40/28/558694028.db2.gz HZIAZHGXOZQUGJ-UHFFFAOYSA-N -1 1 400.500 3.936 50 0 HHAAMM CCO[N-]C(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000029569444 558717090 /nfs/dbraw/zinc/71/70/90/558717090.db2.gz ILYLSRGPOXOFHP-PGRDOPGGSA-N -1 1 412.486 3.564 50 0 HHAAMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000015413756 558738768 /nfs/dbraw/zinc/73/87/68/558738768.db2.gz IZDBIXCPVHJUBS-QGZVFWFLSA-N -1 1 407.495 3.853 50 0 HHAAMM CC(C)OC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)cc(C(=O)OC(C)C)c1 ZINC000017083167 558815646 /nfs/dbraw/zinc/81/56/46/558815646.db2.gz KISBRPMOZZYQPM-UHFFFAOYSA-N -1 1 405.472 3.618 50 0 HHAAMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc2sc(NC(C)=O)nc21 ZINC000033007922 558828660 /nfs/dbraw/zinc/82/86/60/558828660.db2.gz STMZKVSAPDEKGA-UHFFFAOYSA-N -1 1 411.892 3.718 50 0 HHAAMM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2C)s1 ZINC000033007804 558828722 /nfs/dbraw/zinc/82/87/22/558828722.db2.gz MCQSFSHPLFHXJL-UHFFFAOYSA-N -1 1 403.485 3.567 50 0 HHAAMM CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)CC1 ZINC000033010333 558829601 /nfs/dbraw/zinc/82/96/01/558829601.db2.gz CNRFZPGIZXEPOI-UHFFFAOYSA-N -1 1 424.888 3.591 50 0 HHAAMM CC1CCN(C(=O)C(=C([O-])c2ccc(Cl)cc2Cl)n2ccccc2=O)CC1 ZINC000004682119 558894947 /nfs/dbraw/zinc/89/49/47/558894947.db2.gz BJGIPWFPSKOHGP-SFHVURJKSA-N -1 1 407.297 3.838 50 0 HHAAMM Cc1ccc([C@H]2CCCN2C(=O)Cc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1C ZINC000058393461 558923729 /nfs/dbraw/zinc/92/37/29/558923729.db2.gz MPALSPNNLFGPAP-OAQYLSRUSA-N -1 1 402.498 3.663 50 0 HHAAMM CCN(CC)C(=O)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc21 ZINC000058440709 558927639 /nfs/dbraw/zinc/92/76/39/558927639.db2.gz FVQLMINEQPBMOU-UHFFFAOYSA-N -1 1 421.469 3.589 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000059255382 558933007 /nfs/dbraw/zinc/93/30/07/558933007.db2.gz BTFPHOYCXKKYFQ-UHFFFAOYSA-N -1 1 402.497 3.597 50 0 HHAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)NCc1ccc(F)cc1 ZINC000023138341 559019778 /nfs/dbraw/zinc/01/97/78/559019778.db2.gz XJGBFNYXZPVPON-UHFFFAOYSA-N -1 1 401.438 3.612 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1 ZINC000033276460 559036206 /nfs/dbraw/zinc/03/62/06/559036206.db2.gz FNKAVBSLKOIVMO-UHFFFAOYSA-N -1 1 408.439 3.608 50 0 HHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(F)cc2)n1 ZINC000012007737 559271008 /nfs/dbraw/zinc/27/10/08/559271008.db2.gz QKQDZTDAIMYNPL-UHFFFAOYSA-N -1 1 407.405 3.730 50 0 HHAAMM O=[P@]([O-])(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003188479 560588733 /nfs/dbraw/zinc/58/87/33/560588733.db2.gz PSZXFYKWYZMQPZ-JOCHJYFZSA-N -1 1 420.409 3.900 50 0 HHAAMM COc1ccc([C@H]2CC(=O)c3cc4c(=O)n(-c5ccccc5)nc-4[n-]c3C2)cc1OC ZINC000018198324 560783482 /nfs/dbraw/zinc/78/34/82/560783482.db2.gz MFQHEEUNZYDURP-OAHLLOKOSA-N -1 1 415.449 3.644 50 0 HHAAMM CCOc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101767190 560799926 /nfs/dbraw/zinc/79/99/26/560799926.db2.gz JWWDYKFSEHPDFJ-SFHVURJKSA-N -1 1 423.494 3.536 50 0 HHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000040144933 568624687 /nfs/dbraw/zinc/62/46/87/568624687.db2.gz DUBIUIRONILRHR-CHWSQXEVSA-N -1 1 422.469 3.730 50 0 HHAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCOCC2)cc(OC)c1O ZINC000095476829 568630638 /nfs/dbraw/zinc/63/06/38/568630638.db2.gz UBWAEHNMHNBVOB-QGZVFWFLSA-N -1 1 405.476 3.549 50 0 HHAAMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c3ccncc3)cc1)[C@@H](C)C2 ZINC000096003371 568681809 /nfs/dbraw/zinc/68/18/09/568681809.db2.gz GDRMGUPOCQNIFM-AOMKIAJQSA-N -1 1 421.522 3.854 50 0 HHAAMM Cc1c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C ZINC000096113972 568693280 /nfs/dbraw/zinc/69/32/80/568693280.db2.gz XMZFTCNIRPFDDV-AWEZNQCLSA-N -1 1 402.406 3.649 50 0 biogenic HHAAMM Cc1c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cnn1C ZINC000096113972 568693283 /nfs/dbraw/zinc/69/32/83/568693283.db2.gz XMZFTCNIRPFDDV-AWEZNQCLSA-N -1 1 402.406 3.649 50 0 biogenic HHAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCOc2ccccc2F)cc1 ZINC000012392310 568696285 /nfs/dbraw/zinc/69/62/85/568696285.db2.gz KXIFJOLNCKGCBF-UHFFFAOYSA-N -1 1 400.479 3.641 50 0 HHAAMM CCOc1ccc(CN2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)cc1 ZINC000021475989 568703297 /nfs/dbraw/zinc/70/32/97/568703297.db2.gz UGVWOOMFHWSPSZ-UHFFFAOYSA-N -1 1 419.319 3.511 50 0 HHAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000025445308 568769272 /nfs/dbraw/zinc/76/92/72/568769272.db2.gz SXIVUBVYIWEMKR-UHFFFAOYSA-N -1 1 402.549 3.995 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3CCCCC3)cc2)cc1 ZINC000002621364 568787779 /nfs/dbraw/zinc/78/77/79/568787779.db2.gz ZKZIPQCXPSFFOE-UHFFFAOYSA-N -1 1 402.516 3.806 50 0 HHAAMM O=C1[N-]C(=S)NC1=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000001194723 568822805 /nfs/dbraw/zinc/82/28/05/568822805.db2.gz UGBPNMIXEOFWGE-RIYZIHGNSA-N -1 1 407.264 3.512 50 0 HHAAMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC000005883695 568828042 /nfs/dbraw/zinc/82/80/42/568828042.db2.gz BGPXMTLCPZGNOQ-UHFFFAOYSA-N -1 1 413.293 3.607 50 0 HHAAMM Cc1c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000012548556 568851746 /nfs/dbraw/zinc/85/17/46/568851746.db2.gz VBAZZEJGGBLJDM-UHFFFAOYSA-N -1 1 418.327 3.654 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)cc1 ZINC000012556973 568855637 /nfs/dbraw/zinc/85/56/37/568855637.db2.gz NGCXJNLIYWDFHO-JOCHJYFZSA-N -1 1 422.506 3.913 50 0 HHAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000012557243 568856115 /nfs/dbraw/zinc/85/61/15/568856115.db2.gz WCFZZGLFBIJVSN-UHFFFAOYSA-N -1 1 402.516 3.758 50 0 HHAAMM CCOc1cc2c(cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)O[C@@H](C)C2 ZINC000012560608 568858275 /nfs/dbraw/zinc/85/82/75/568858275.db2.gz QSBKITJFFBXFDC-LBPRGKRZSA-N -1 1 405.472 3.525 50 0 HHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000012734591 568923592 /nfs/dbraw/zinc/92/35/92/568923592.db2.gz MWJYBCAYUUOIKW-UHFFFAOYSA-N -1 1 424.309 3.957 50 0 HHAAMM CCc1ccc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 ZINC000012735366 568924684 /nfs/dbraw/zinc/92/46/84/568924684.db2.gz WGKUAOKVEGKVJU-UHFFFAOYSA-N -1 1 424.309 3.903 50 0 HHAAMM COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000012737508 568925259 /nfs/dbraw/zinc/92/52/59/568925259.db2.gz SNIVZYQZYLGRRO-UHFFFAOYSA-N -1 1 420.668 3.610 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1N(C)C ZINC000015730844 568981292 /nfs/dbraw/zinc/98/12/92/568981292.db2.gz LPENTZPHMLIWSS-ZDUSSCGKSA-N -1 1 405.545 3.542 50 0 HHAAMM O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000008289151 568987769 /nfs/dbraw/zinc/98/77/69/568987769.db2.gz FGKQKKRRVPPCQW-UHFFFAOYSA-N -1 1 414.414 3.608 50 0 HHAAMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1C ZINC000085597936 569002632 /nfs/dbraw/zinc/00/26/32/569002632.db2.gz ZDCRWCVOVPMWEY-UHFFFAOYSA-N -1 1 406.382 3.508 50 0 HHAAMM Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)c1C ZINC000012938978 569028071 /nfs/dbraw/zinc/02/80/71/569028071.db2.gz XWJXFPBLSJAXFX-UHFFFAOYSA-N -1 1 417.509 3.559 50 0 HHAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCC3)c2c1 ZINC000035527902 569043973 /nfs/dbraw/zinc/04/39/73/569043973.db2.gz PKIWAHZKCAVWFG-UHFFFAOYSA-N -1 1 419.890 3.826 50 0 HHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000012980697 569046381 /nfs/dbraw/zinc/04/63/81/569046381.db2.gz QCKRIOKTGAZQAI-UHFFFAOYSA-N -1 1 400.479 3.804 50 0 HHAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccco1 ZINC000035683985 569049075 /nfs/dbraw/zinc/04/90/75/569049075.db2.gz VOFFECBYBOBDEG-HXUWFJFHSA-N -1 1 409.467 3.778 50 0 HHAAMM Cc1ccc(Cn2cc(Br)c([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000006502361 569061679 /nfs/dbraw/zinc/06/16/79/569061679.db2.gz UFOGNKJDCCAHQD-UHFFFAOYSA-N -1 1 406.305 3.803 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1F ZINC000065021317 569154422 /nfs/dbraw/zinc/15/44/22/569154422.db2.gz QRNXCJOMWWKBCA-UHFFFAOYSA-N -1 1 402.491 3.969 50 0 HHAAMM CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059809 569163751 /nfs/dbraw/zinc/16/37/51/569163751.db2.gz NGAWHNFLFUVRAE-UHFFFAOYSA-N -1 1 411.483 3.733 50 0 HHAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC000170626680 569250543 /nfs/dbraw/zinc/25/05/43/569250543.db2.gz XXMBJOVLKNSOHP-UHFFFAOYSA-N -1 1 407.923 3.538 50 0 HHAAMM COc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nccc(=O)[n-]2)cc1 ZINC000010059441 569252982 /nfs/dbraw/zinc/25/29/82/569252982.db2.gz XDOHUXATPPMUBE-UHFFFAOYSA-N -1 1 401.875 3.977 50 0 HHAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067299198 571073009 /nfs/dbraw/zinc/07/30/09/571073009.db2.gz WFDUURGDTOGVRF-GYHWCHFESA-N -1 1 404.378 3.623 50 0 HHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1ccc(O)cc1 ZINC000008764244 571114633 /nfs/dbraw/zinc/11/46/33/571114633.db2.gz BQNUCPSWWMPSIE-UHFFFAOYSA-N -1 1 403.390 3.889 50 0 biogenic HHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc(O)cc1 ZINC000008764244 571114635 /nfs/dbraw/zinc/11/46/35/571114635.db2.gz BQNUCPSWWMPSIE-UHFFFAOYSA-N -1 1 403.390 3.889 50 0 biogenic HHAAMM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)ccc21 ZINC000008840747 571123785 /nfs/dbraw/zinc/12/37/85/571123785.db2.gz BNTSQWKHGDJWJA-UHFFFAOYSA-N -1 1 406.479 3.714 50 0 HHAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000040146692 571196407 /nfs/dbraw/zinc/19/64/07/571196407.db2.gz BSJGFMQQRMMDJV-UHFFFAOYSA-N -1 1 409.467 3.802 50 0 HHAAMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165856 571232465 /nfs/dbraw/zinc/23/24/65/571232465.db2.gz KKZHYVYLPXGHOH-UHFFFAOYSA-N -1 1 408.907 3.831 50 0 HHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 ZINC000009166290 571232706 /nfs/dbraw/zinc/23/27/06/571232706.db2.gz JNKHYQXZTXQZTB-UHFFFAOYSA-N -1 1 418.515 3.658 50 0 HHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2OCC(C)(C)C1=O ZINC000009167536 571233238 /nfs/dbraw/zinc/23/32/38/571233238.db2.gz JDIFXHYYAJNOOJ-UHFFFAOYSA-N -1 1 402.516 3.957 50 0 HHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2OCC(C)(C)C1=O ZINC000009167617 571233254 /nfs/dbraw/zinc/23/32/54/571233254.db2.gz FWHVLWADRPVOST-UHFFFAOYSA-N -1 1 406.479 3.788 50 0 HHAAMM Cc1cc2oc(=O)c(CC(=O)Nc3nnn[n-]3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000009485678 571262273 /nfs/dbraw/zinc/26/22/73/571262273.db2.gz MBXPANJOLONHDL-UHFFFAOYSA-N -1 1 415.409 3.517 50 0 HHAAMM Cc1cc2oc(=O)c(CC(=O)Nc3nn[n-]n3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000009485678 571262274 /nfs/dbraw/zinc/26/22/74/571262274.db2.gz MBXPANJOLONHDL-UHFFFAOYSA-N -1 1 415.409 3.517 50 0 HHAAMM COc1cccc(N2CC[N@H+]([C@@H](C(=O)[O-])c3cc(F)ccc3OC)CC2(C)C)c1 ZINC000216346505 970070824 /nfs/dbraw/zinc/07/08/24/970070824.db2.gz ATKLYPQGXSEQEA-HXUWFJFHSA-N -1 1 402.466 3.569 50 0 HHAAMM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3cc(F)ccc3OC)CC2(C)C)c1 ZINC000216346505 970070834 /nfs/dbraw/zinc/07/08/34/970070834.db2.gz ATKLYPQGXSEQEA-HXUWFJFHSA-N -1 1 402.466 3.569 50 0 HHAAMM CCOC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001037243 132235691 /nfs/dbraw/zinc/23/56/91/132235691.db2.gz PIUTXDLZTOOASO-UHFFFAOYSA-N -1 1 402.516 3.963 50 0 HHAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000012556131 132363622 /nfs/dbraw/zinc/36/36/22/132363622.db2.gz UOOQYWLAZGGXKB-UHFFFAOYSA-N -1 1 421.570 3.882 50 0 HHAAMM CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)s1 ZINC000040285268 519463881 /nfs/dbraw/zinc/46/38/81/519463881.db2.gz RVKJUHJSVJJFJD-ZDUSSCGKSA-N -1 1 423.564 3.806 50 0 HHAAMM COc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000000686904 557058857 /nfs/dbraw/zinc/05/88/57/557058857.db2.gz NHVPPUHEMXNBDX-MKMNVTDBSA-N -1 1 409.294 3.926 50 0 HHAAMM CSc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)s2)n1C ZINC000001038155 557151693 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Cc1ccc(-n2c3nnc([S-])n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000006199525 569031505 /nfs/dbraw/zinc/03/15/05/569031505.db2.gz IOFHGXSGKSNIBP-CQSZACIVSA-N -1 1 412.540 3.789 50 0 HHAAMM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000035397500 569034995 /nfs/dbraw/zinc/03/49/95/569034995.db2.gz CWOQCSBQRNVMHZ-UHFFFAOYSA-N -1 1 411.911 3.860 50 0 HHAAMM COc1cccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1 ZINC000035527910 569043934 /nfs/dbraw/zinc/04/39/34/569043934.db2.gz NRWHLTDHLTXDLI-UHFFFAOYSA-N -1 1 415.471 3.726 50 0 HHAAMM CC(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000006459339 569053819 /nfs/dbraw/zinc/05/38/19/569053819.db2.gz WHSNSJHBMBCVTQ-UHFFFAOYSA-N -1 1 411.321 3.636 50 0 HHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000064861835 569110517 /nfs/dbraw/zinc/11/05/17/569110517.db2.gz MWRDJBTVDSAHRS-UHFFFAOYSA-N -1 1 411.886 3.762 50 0 HHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)c1 ZINC000064979628 569141027 /nfs/dbraw/zinc/14/10/27/569141027.db2.gz ILNAWTGNYFKXFO-UHFFFAOYSA-N -1 1 400.456 3.936 50 0 HHAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1 ZINC000065021176 569154389 /nfs/dbraw/zinc/15/43/89/569154389.db2.gz BRJLXEGYCLVAAO-UHFFFAOYSA-N -1 1 400.500 3.530 50 0 HHAAMM O=S(=O)([N-]c1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1 ZINC000065096408 569176393 /nfs/dbraw/zinc/17/63/93/569176393.db2.gz NROUPOXCCCFZBE-UHFFFAOYSA-N -1 1 417.450 3.871 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c1C ZINC000065115255 569179208 /nfs/dbraw/zinc/17/92/08/569179208.db2.gz JXPLVUUNCLQFOI-UHFFFAOYSA-N -1 1 413.499 3.872 50 0 HHAAMM Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000089672793 569262223 /nfs/dbraw/zinc/26/22/23/569262223.db2.gz UZYAMMYFRVIMCI-UHFFFAOYSA-N -1 1 424.478 3.591 50 0 HHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1 ZINC000016838841 569264118 /nfs/dbraw/zinc/26/41/18/569264118.db2.gz MDGOZWQKBRCTSP-UHFFFAOYSA-N -1 1 422.510 3.747 50 0 HHAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000016981194 569270308 /nfs/dbraw/zinc/27/03/08/569270308.db2.gz FXZMBCDVDHBPEN-UHFFFAOYSA-N -1 1 413.909 3.722 50 0 HHAAMM COC(=O)[C@@H]1[C@H](c2ccc(SC)cc2)c2c(=O)[n-]n(-c3ccccc3)c2C[C@]1(C)O ZINC000252515323 569292118 /nfs/dbraw/zinc/29/21/18/569292118.db2.gz IRXHRWZNTUIOGA-RFWXGWTQSA-N -1 1 424.522 3.528 50 0 HHAAMM O=C(NCC1(c2ccccc2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008725685 571108283 /nfs/dbraw/zinc/10/82/83/571108283.db2.gz MLPSTUSMAOGVIX-UHFFFAOYSA-N -1 1 406.507 3.949 50 0 HHAAMM CCCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)[O-] ZINC000008740256 571110336 /nfs/dbraw/zinc/11/03/36/571110336.db2.gz PTZAWHDSFJGRSE-UHFFFAOYSA-N -1 1 424.453 3.945 50 0 biogenic HHAAMM Cc1cccnc1NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000008991183 571207031 /nfs/dbraw/zinc/20/70/31/571207031.db2.gz GQLPAAAZUBJARZ-UHFFFAOYSA-N -1 1 402.406 3.887 50 0 biogenic HHAAMM Cc1cccnc1NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008991183 571207035 /nfs/dbraw/zinc/20/70/35/571207035.db2.gz GQLPAAAZUBJARZ-UHFFFAOYSA-N -1 1 402.406 3.887 50 0 biogenic HHAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165765 571232516 /nfs/dbraw/zinc/23/25/16/571232516.db2.gz HVIGPRPNMHEWAC-UHFFFAOYSA-N -1 1 402.516 3.992 50 0 HHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1Cl ZINC000009165852 571232518 /nfs/dbraw/zinc/23/25/18/571232518.db2.gz JLUNWVZCZVHMHF-UHFFFAOYSA-N -1 1 408.907 3.831 50 0 HHAAMM CC(C)CN1c2cc([N-]S(=O)(=O)c3ccccc3)ccc2OCC(C)(C)C1=O ZINC000009172514 571234133 /nfs/dbraw/zinc/23/41/33/571234133.db2.gz DFZZEHQKBFKAKT-UHFFFAOYSA-N -1 1 402.516 3.895 50 0 HHAAMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009218908 571237942 /nfs/dbraw/zinc/23/79/42/571237942.db2.gz VERSCWRMGRJBMK-UHFFFAOYSA-N -1 1 417.512 3.533 50 0 HHAAMM O=C(C[C@H]1C=CCC1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009468211 571261325 /nfs/dbraw/zinc/26/13/25/571261325.db2.gz IJFIWKSEVSYSPM-HNNXBMFYSA-N -1 1 414.483 3.553 50 0 HHAAMM CCc1ccc(OCCSc2nc(-c3ccc(F)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000009641149 571275702 /nfs/dbraw/zinc/27/57/02/571275702.db2.gz GIASYHJBFVAZMG-UHFFFAOYSA-N -1 1 410.474 3.957 50 0 HHAAMM COCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000009791433 571285579 /nfs/dbraw/zinc/28/55/79/571285579.db2.gz XJEWVJMPVSOIRT-UHFFFAOYSA-N -1 1 424.522 3.921 50 0 HHAAMM CCCCn1c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c(=O)c2ccccc21 ZINC000005737772 960772971 /nfs/dbraw/zinc/77/29/71/960772971.db2.gz OWLRIRVWFOJVDA-UHFFFAOYSA-N -1 1 408.454 3.936 50 0 HHAAMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000013262319 962381206 /nfs/dbraw/zinc/38/12/06/962381206.db2.gz YIVQVOQEOLEJIP-CSKARUKUSA-N -1 1 410.451 3.760 50 0 HHAAMM Cn1nccc1/C=C\C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000098005533 969185383 /nfs/dbraw/zinc/18/53/83/969185383.db2.gz PJCNRDWOUINEFW-HJWRWDBZSA-N -1 1 416.890 3.526 50 0 HHAAMM CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCCC[C@@H]32)C(=O)[N-]C1=S ZINC000008997610 132334892 /nfs/dbraw/zinc/33/48/92/132334892.db2.gz FAXHGYNNSDBMHI-IFCGJNOESA-N -1 1 419.978 3.673 50 0 HHAAMM CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(CCC1=CCCCC1)C2=O ZINC000009087505 132335520 /nfs/dbraw/zinc/33/55/20/132335520.db2.gz JXABMXYADWKSAE-RUZDIDTESA-N -1 1 417.509 3.787 50 0 HHAAMM C[C@H](c1ccccc1)N1C(=O)[N-]C(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009111255 132335974 /nfs/dbraw/zinc/33/59/74/132335974.db2.gz BAEMMJSJZNOQOZ-PUAOIOHZSA-N -1 1 413.477 3.658 50 0 HHAAMM CCCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])sc1C ZINC000032731814 521363307 /nfs/dbraw/zinc/36/33/07/521363307.db2.gz QSUWUFMZFUKHME-UHFFFAOYSA-N -1 1 408.545 3.751 50 0 HHAAMM COC(=O)c1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000032930129 521975179 /nfs/dbraw/zinc/97/51/79/521975179.db2.gz JJWFFGOCHFRTOJ-UHFFFAOYSA-N -1 1 424.478 3.835 50 0 HHAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(OC)c4)no3)n2)cc1 ZINC000048985657 523089154 /nfs/dbraw/zinc/08/91/54/523089154.db2.gz ZJIVNGWUIUXAPU-UHFFFAOYSA-N -1 1 422.466 3.796 50 0 HHAAMM Nc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000019957163 527440606 /nfs/dbraw/zinc/44/06/06/527440606.db2.gz LUZYNICWDILQKX-UHFFFAOYSA-N -1 1 402.863 3.529 50 0 HHAAMM O=C1N[C@H](c2cccs2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000000909073 557115969 /nfs/dbraw/zinc/11/59/69/557115969.db2.gz FPEQHSJHBCNENB-ZOWXZIJZSA-N -1 1 404.797 3.505 50 0 HHAAMM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001076778 557173500 /nfs/dbraw/zinc/17/35/00/557173500.db2.gz BYIVRDOEGKKFNG-UHFFFAOYSA-N -1 1 410.451 3.511 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1I ZINC000001078743 557174905 /nfs/dbraw/zinc/17/49/05/557174905.db2.gz BOIWCKIQTKHWMQ-UHFFFAOYSA-N -1 1 423.659 3.754 50 0 HHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000001158653 557216355 /nfs/dbraw/zinc/21/63/55/557216355.db2.gz YZNJOVPBIYUNAQ-UHFFFAOYSA-N -1 1 402.472 3.877 50 0 HHAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC000002843467 557401911 /nfs/dbraw/zinc/40/19/11/557401911.db2.gz DBSOEPBQJRZNNQ-UHFFFAOYSA-N -1 1 422.572 3.587 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O ZINC000002851749 557404953 /nfs/dbraw/zinc/40/49/53/557404953.db2.gz JEOSMSMCFPSIKN-UHFFFAOYSA-N -1 1 406.463 3.592 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000002876735 557417573 /nfs/dbraw/zinc/41/75/73/557417573.db2.gz MPHLKGQJCRIEDX-UHFFFAOYSA-N -1 1 406.463 3.592 50 0 HHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000004292305 557536861 /nfs/dbraw/zinc/53/68/61/557536861.db2.gz DZJLXUPNWYAGEK-INIZCTEOSA-N -1 1 414.531 3.840 50 0 HHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccn3)cc2)c1C ZINC000010556792 557542580 /nfs/dbraw/zinc/54/25/80/557542580.db2.gz HQMRRRMMOVLGTO-QGZVFWFLSA-N -1 1 409.511 3.990 50 0 HHAAMM O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000012374486 558391377 /nfs/dbraw/zinc/39/13/77/558391377.db2.gz OWSFKQGDRPUZPP-UHFFFAOYSA-N -1 1 415.721 3.769 50 0 HHAAMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000023055384 558532384 /nfs/dbraw/zinc/53/23/84/558532384.db2.gz MNFCQZGXBKCGKR-UHFFFAOYSA-N -1 1 416.421 3.914 50 0 HHAAMM COc1cccc(OCCCOc2c(C=C3SC(=O)[N-]C3=O)cccc2OC)c1 ZINC000015857279 558757188 /nfs/dbraw/zinc/75/71/88/558757188.db2.gz WJKIXLNQZNIXCR-PDGQHHTCSA-N -1 1 415.467 3.876 50 0 HHAAMM O=C(NCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000033274592 558764356 /nfs/dbraw/zinc/76/43/56/558764356.db2.gz KUQGFQGEOWNMSX-UHFFFAOYSA-N -1 1 420.534 3.878 50 0 HHAAMM O=C(NC1CCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033274571 558764359 /nfs/dbraw/zinc/76/43/59/558764359.db2.gz DETQRPNCCGTZLB-UHFFFAOYSA-N -1 1 402.491 3.717 50 0 HHAAMM CCNC(=O)[C@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000058162902 558906345 /nfs/dbraw/zinc/90/63/45/558906345.db2.gz NVLFTLSVZHHKDI-AWEZNQCLSA-N -1 1 414.506 3.551 50 0 HHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1Cl ZINC000004971525 559220626 /nfs/dbraw/zinc/22/06/26/559220626.db2.gz QOIYAWTZLPKDCF-UHFFFAOYSA-N -1 1 420.918 3.839 50 0 HHAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137839983 559281024 /nfs/dbraw/zinc/28/10/24/559281024.db2.gz VGAJYRKEVKPHAO-BHDDXSALSA-N -1 1 400.434 3.746 50 0 HHAAMM CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000005252344 560551618 /nfs/dbraw/zinc/55/16/18/560551618.db2.gz IMCCXQFRDLFZIH-UHFFFAOYSA-N -1 1 409.305 3.549 50 0 HHAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2C1 ZINC000008977156 560640464 /nfs/dbraw/zinc/64/04/64/560640464.db2.gz QMQZGJASRLGRAA-UHFFFAOYSA-N -1 1 416.886 3.932 50 0 HHAAMM O=C(c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)N1CCSCC1 ZINC000101827667 560802491 /nfs/dbraw/zinc/80/24/91/560802491.db2.gz 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1 410.542 3.508 50 0 HHAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1 ZINC000095430034 568608789 /nfs/dbraw/zinc/60/87/89/568608789.db2.gz NZJLRMGIYBHCDB-AUUYWEPGSA-N -1 1 414.506 3.684 50 0 HHAAMM O=S(=O)([N-]c1ccccc1[C@@H](O)C(F)(F)F)c1cccc(Br)c1 ZINC000095464659 568622404 /nfs/dbraw/zinc/62/24/04/568622404.db2.gz SNPHIDMHMRQAFT-CYBMUJFWSA-N -1 1 410.211 3.846 50 0 HHAAMM COCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000239667144 568729742 /nfs/dbraw/zinc/72/97/42/568729742.db2.gz BPCBOYSNHYDMLB-UHFFFAOYSA-N -1 1 414.886 3.863 50 0 HHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCC)c(OCC)c1)CC(=O)N2 ZINC000086057903 568753959 /nfs/dbraw/zinc/75/39/59/568753959.db2.gz OGLRGHABKLDMNA-ZDUSSCGKSA-N -1 1 403.504 3.544 50 0 HHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)c(Cl)c2)cc1 ZINC000003134757 568857853 /nfs/dbraw/zinc/85/78/53/568857853.db2.gz VMNGMROTUVCATK-UHFFFAOYSA-N -1 1 418.862 3.682 50 0 HHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1OC 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GCXDWVVWHFVNCV-UHFFFAOYSA-N -1 1 422.572 3.713 50 0 HHAAMM Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000012888005 569019650 /nfs/dbraw/zinc/01/96/50/569019650.db2.gz DDFJXEBYEKVYDF-UHFFFAOYSA-N -1 1 417.509 3.559 50 0 HHAAMM O=C(NCc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000006270546 569036256 /nfs/dbraw/zinc/03/62/56/569036256.db2.gz CJBHKBJNKIYVJN-UHFFFAOYSA-N -1 1 419.865 3.605 50 0 HHAAMM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000064837172 569104984 /nfs/dbraw/zinc/10/49/84/569104984.db2.gz YAMGXMZYYXDPCN-UHFFFAOYSA-N -1 1 403.891 3.762 50 0 HHAAMM O=C(NC1CC1)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063378 569166933 /nfs/dbraw/zinc/16/69/33/569166933.db2.gz AWQBJQXIYDWLGY-UHFFFAOYSA-N -1 1 409.467 3.567 50 0 HHAAMM O=C(c1noc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21)N1CCCCC1 ZINC000065115240 569179240 /nfs/dbraw/zinc/17/92/40/569179240.db2.gz XJAAPCSPJQPARE-UHFFFAOYSA-N -1 1 419.890 3.908 50 0 HHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c(C)c1 ZINC000065115297 569179337 /nfs/dbraw/zinc/17/93/37/569179337.db2.gz IZWWZTLGFSTQNV-UHFFFAOYSA-N -1 1 413.499 3.872 50 0 HHAAMM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc2C1 ZINC000065196183 569194461 /nfs/dbraw/zinc/19/44/61/569194461.db2.gz ONIQELGHCIOCRU-UHFFFAOYSA-N -1 1 402.900 3.636 50 0 HHAAMM O=C(Nc1ccccc1-c1nc[nH]n1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000089845710 569267033 /nfs/dbraw/zinc/26/70/33/569267033.db2.gz QPVVTSUHJRDDPN-UHFFFAOYSA-N -1 1 419.466 3.525 50 0 HHAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000007734821 569304543 /nfs/dbraw/zinc/30/45/43/569304543.db2.gz ZZVWSIBFZPVMHP-UHFFFAOYSA-N -1 1 400.431 3.887 50 0 HHAAMM Cc1cc(C)nc(SCc2ccc(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)o2)n1 ZINC000079479997 569431795 /nfs/dbraw/zinc/43/17/95/569431795.db2.gz FQJLDLUGUPPOJC-CQSZACIVSA-N -1 1 417.516 3.934 50 0 HHAAMM Cc1cc(=O)[n-]c(-n2nc(C(C)(C)C)cc2NC(=O)c2nc3ccccc3s2)n1 ZINC000038740410 571077627 /nfs/dbraw/zinc/07/76/27/571077627.db2.gz GIOGNVLZDPMFFX-UHFFFAOYSA-N -1 1 408.487 3.836 50 0 HHAAMM CCOC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000009090191 571220411 /nfs/dbraw/zinc/22/04/11/571220411.db2.gz WXFBQBRXHYMCAX-LBPRGKRZSA-N -1 1 422.304 3.589 50 0 HHAAMM CSc1cccc(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)c1 ZINC000009530209 571266718 /nfs/dbraw/zinc/26/67/18/571266718.db2.gz RVLIIJNVMHXNQE-UHFFFAOYSA-N -1 1 407.542 3.559 50 0 HHAAMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)ccc21 ZINC000009560773 571268424 /nfs/dbraw/zinc/26/84/24/571268424.db2.gz BPSIARLRSQZGIS-UHFFFAOYSA-N -1 1 423.332 3.857 50 0 HHAAMM CCc1ccccc1OCCSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21 ZINC000009640986 571275744 /nfs/dbraw/zinc/27/57/44/571275744.db2.gz XMHORMLDZNSDPC-UHFFFAOYSA-N -1 1 410.474 3.957 50 0 HHAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000009665499 571278021 /nfs/dbraw/zinc/27/80/21/571278021.db2.gz DJRGMXCDYRBRHY-UHFFFAOYSA-N -1 1 424.478 3.951 50 0 HHAAMM