smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(F)c1F ZINC000153841762 728789828 /nfs/dbraw/zinc/78/98/28/728789828.db2.gz XHIXDYXEEZKNDO-SECBINFHSA-N -1 3 370.377 2.533 20 10 FFCDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000161179932 728929748 /nfs/dbraw/zinc/92/97/48/728929748.db2.gz CWWKFDDSFIVAPQ-QMMMGPOBSA-N -1 3 361.341 2.858 20 10 FFCDHM C[C@H]1CCCCN1C(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000133736852 728727744 /nfs/dbraw/zinc/72/77/44/728727744.db2.gz MEYLXFHCJQSHKT-HNNXBMFYSA-N -1 3 365.905 2.564 20 10 FFCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000779028343 738430965 /nfs/dbraw/zinc/43/09/65/738430965.db2.gz HFFXNQPYMBQTGY-WBMJQRKESA-N -1 3 354.422 2.645 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@@H]21 ZINC000862244047 730680731 /nfs/dbraw/zinc/68/07/31/730680731.db2.gz VGLYQCDMEMRCKX-HIFRSBDPSA-N -1 3 374.300 2.696 20 10 FFCDHM C[C@H]1OCC[C@@]12CN(Cc1c([O-])cccc1Br)C[C@@H](C)O2 ZINC000862351096 730690503 /nfs/dbraw/zinc/69/05/03/730690503.db2.gz GMDQTFISNLASAX-XHBSWPGZSA-N -1 3 356.260 2.923 20 10 FFCDHM C[C@@](CO)(NCc1c([O-])cccc1Br)c1cccc(O)c1 ZINC000862432770 730702309 /nfs/dbraw/zinc/70/23/09/730702309.db2.gz MMCFEPPWPJQEFS-INIZCTEOSA-N -1 3 352.228 2.858 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000781896703 738668841 /nfs/dbraw/zinc/66/88/41/738668841.db2.gz MLBMIVDSNXGXDJ-AWEZNQCLSA-N -1 3 353.260 2.706 20 10 FFCDHM CCOCCN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781896360 738668888 /nfs/dbraw/zinc/66/88/88/738668888.db2.gz IPENXBXOWUKCQK-UHFFFAOYSA-N -1 3 357.292 2.617 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1[O-] ZINC000886799936 733839287 /nfs/dbraw/zinc/83/92/87/733839287.db2.gz ZSOOYJNZGZLTTB-AWEZNQCLSA-N -1 3 351.752 2.995 20 10 FFCDHM CNC(=O)CC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894045272 734792206 /nfs/dbraw/zinc/79/22/06/734792206.db2.gz XREMOWFUPRYKTP-UHFFFAOYSA-N -1 3 359.239 2.642 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(N)=O)Cc3ccccc32)c1[O-] ZINC000750043372 735767811 /nfs/dbraw/zinc/76/78/11/735767811.db2.gz IPLOHGJQAIPTFA-CQSZACIVSA-N -1 3 358.825 2.912 20 10 FFCDHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769688172 737554061 /nfs/dbraw/zinc/55/40/61/737554061.db2.gz GAFKUWRHHKPZOR-INWMFGNUSA-N -1 3 368.499 2.954 20 10 FFCDHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)cc2)nc1Cl ZINC000769896088 737581090 /nfs/dbraw/zinc/58/10/90/737581090.db2.gz VQHJKDVKQDGEMG-UHFFFAOYSA-N -1 3 368.890 2.542 20 10 FFCDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(C)o3)CC2)cc1 ZINC000773293875 737889462 /nfs/dbraw/zinc/88/94/62/737889462.db2.gz UPZVRFAFVQPAQV-UHFFFAOYSA-N -1 3 350.440 2.544 20 10 FFCDHM C[C@H]1c2sccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000921514703 737995122 /nfs/dbraw/zinc/99/51/22/737995122.db2.gz WGJIQOQOUYGYSZ-JTQLQIEISA-N -1 3 366.464 2.585 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000775098509 738061373 /nfs/dbraw/zinc/06/13/73/738061373.db2.gz WQVSLMSWBZFMOY-CQSZACIVSA-N -1 3 364.320 2.852 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NCC1CCN(CC(F)(F)F)CC1 ZINC000922105579 738091471 /nfs/dbraw/zinc/09/14/71/738091471.db2.gz HOZWEAJDTWDKGU-UHFFFAOYSA-N -1 3 363.355 2.605 20 10 FFCDHM O=C(NCCc1ccc(F)c(Br)c1)c1cccc(O)c1[O-] ZINC000776340097 738184267 /nfs/dbraw/zinc/18/42/67/738184267.db2.gz FFLLBOWCIYXVBU-UHFFFAOYSA-N -1 3 354.175 2.972 20 10 FFCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000928708223 738898154 /nfs/dbraw/zinc/89/81/54/738898154.db2.gz JDFYWBRYRGEERG-LLVKDONJSA-N -1 3 352.406 2.651 20 10 FFCDHM CCNC(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)c(C)s1 ZINC000932187812 739400363 /nfs/dbraw/zinc/40/03/63/739400363.db2.gz NLTCBVMFPDOVAA-UHFFFAOYSA-N -1 3 351.403 2.973 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790576076 739470936 /nfs/dbraw/zinc/47/09/36/739470936.db2.gz INABZNISWUXMLI-LBPRGKRZSA-N -1 3 350.415 2.617 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000790704834 739486720 /nfs/dbraw/zinc/48/67/20/739486720.db2.gz KUCOQBSHJSXYLR-VXGBXAGGSA-N -1 3 350.415 2.568 20 10 FFCDHM O=C(NCCNc1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000790922489 739513431 /nfs/dbraw/zinc/51/34/31/739513431.db2.gz MONLNVXRYHBLFX-UHFFFAOYSA-N -1 3 351.200 2.702 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360830 739773328 /nfs/dbraw/zinc/77/33/28/739773328.db2.gz ACSHLLKKSITLTO-BLLLJJGKSA-N -1 3 356.260 2.843 20 10 FFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@@H]2CCCC[C@H]21 ZINC000824807931 743152540 /nfs/dbraw/zinc/15/25/40/743152540.db2.gz IPULJVRDQBFRTI-UKRRQHHQSA-N -1 3 374.300 2.696 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccsn1 ZINC000827095671 743505183 /nfs/dbraw/zinc/50/51/83/743505183.db2.gz JYDNGPGXABTMNL-CYBMUJFWSA-N -1 3 351.859 2.897 20 10 FFCDHM CCNS(=O)(=O)c1cccc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000839148871 746788633 /nfs/dbraw/zinc/78/86/33/746788633.db2.gz NUHMOWCZHNGNSA-UHFFFAOYSA-N -1 3 372.849 2.773 20 10 FFCDHM Cc1cc([O-])c(CN(C)Cc2ccccc2S(N)(=O)=O)c(Cl)c1 ZINC000840950586 747239869 /nfs/dbraw/zinc/23/98/69/747239869.db2.gz OQSPVWYCJYSFKQ-UHFFFAOYSA-N -1 3 354.859 2.633 20 10 FFCDHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2)cc1 ZINC000849415499 749142197 /nfs/dbraw/zinc/14/21/97/749142197.db2.gz ASVPFBHDEBFFGD-NSHDSACASA-N -1 3 372.899 2.967 20 10 FFCDHM CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000852073236 749767662 /nfs/dbraw/zinc/76/76/62/749767662.db2.gz COYFIONMVLUURZ-QGZVFWFLSA-N -1 3 358.825 2.926 20 10 FFCDHM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894753242 965667617 /nfs/dbraw/zinc/66/76/17/965667617.db2.gz RUKOYUBOWXPNJN-HUUCEWRRSA-N -1 3 370.396 2.540 20 10 FFCDHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000286335783 968346530 /nfs/dbraw/zinc/34/65/30/968346530.db2.gz LRYAGGHICUSBQW-GUYCJALGSA-N -1 3 374.462 2.987 20 10 FFCDHM CC(C)CN1CC[C@@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271433252 972989445 /nfs/dbraw/zinc/98/94/45/972989445.db2.gz CWEQYQHBDNIOLP-FQEVSTJZSA-N -1 3 360.454 2.599 20 10 FFCDHM CCCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001271434904 973000609 /nfs/dbraw/zinc/00/06/09/973000609.db2.gz YMMWVAPAQFBCOV-UHFFFAOYSA-N -1 3 360.454 2.743 20 10 FFCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000764354864 984448473 /nfs/dbraw/zinc/44/84/73/984448473.db2.gz AWAMRCACAVJVQL-UHFFFAOYSA-N -1 3 371.441 2.580 20 10 FFCDHM CCC[N@H+](CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000157059512 984453272 /nfs/dbraw/zinc/45/32/72/984453272.db2.gz GVSYPONCWVTJEY-UHFFFAOYSA-N -1 3 356.422 2.569 20 10 FFCDHM CCC[N@@H+](CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000157059512 984453274 /nfs/dbraw/zinc/45/32/74/984453274.db2.gz GVSYPONCWVTJEY-UHFFFAOYSA-N -1 3 356.422 2.569 20 10 FFCDHM O=C(NCc1ccc(N2CCCCC2)nc1)NCc1c([O-])cccc1F ZINC000914035468 987133102 /nfs/dbraw/zinc/13/31/02/987133102.db2.gz JMKZRYBVANMYBI-UHFFFAOYSA-N -1 3 358.417 2.916 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000914081115 987172784 /nfs/dbraw/zinc/17/27/84/987172784.db2.gz PVBBYZIHKUGWRY-KRWDZBQOSA-N -1 3 371.412 2.694 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@](F)(CO)CC1 ZINC001235296518 988653627 /nfs/dbraw/zinc/65/36/27/988653627.db2.gz JIQGVOACSAJBOB-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM Cc1cc(CNC(=O)NCc2c([O-])cccc2F)cc(N2CCCC2)n1 ZINC000922529042 988682861 /nfs/dbraw/zinc/68/28/61/988682861.db2.gz ZXBWDVCVDAJNOX-UHFFFAOYSA-N -1 3 358.417 2.834 20 10 FFCDHM O=C(Nc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1)c1ccco1 ZINC000187027752 990195406 /nfs/dbraw/zinc/19/54/06/990195406.db2.gz IDDZMYFHWZSLDN-UHFFFAOYSA-N -1 3 352.346 2.873 20 10 FFCDHM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC000917732125 990267657 /nfs/dbraw/zinc/26/76/57/990267657.db2.gz KQHPWMIMMQTPPE-GFCCVEGCSA-N -1 3 360.433 2.840 20 10 FFCDHM CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000727483268 995844810 /nfs/dbraw/zinc/84/48/10/995844810.db2.gz NNJLNQJLLHBWPE-UHFFFAOYSA-N -1 3 369.465 2.627 20 10 FFCDHM C[C@@H](Oc1ccccc1CNCc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593648776 995998489 /nfs/dbraw/zinc/99/84/89/995998489.db2.gz MQHYACSDHPBVBM-MRXNPFEDSA-N -1 3 370.449 2.665 20 10 FFCDHM O=C1COC2(C1)CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144292612 998276258 /nfs/dbraw/zinc/27/62/58/998276258.db2.gz GNQWSDFXLLEHRZ-UHFFFAOYSA-N -1 3 358.207 2.618 20 10 FFCDHM O=C1NCCCC12CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144306981 998300758 /nfs/dbraw/zinc/30/07/58/998300758.db2.gz YRQGYVVDXUDTNH-UHFFFAOYSA-N -1 3 371.250 2.786 20 10 FFCDHM Cc1ccc([O-])c(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 ZINC000740128710 999662894 /nfs/dbraw/zinc/66/28/94/999662894.db2.gz SLVNULGOHYCLTF-UHFFFAOYSA-N -1 3 353.422 2.655 20 10 FFCDHM CCOC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1c1ccccc1 ZINC001148219033 1001071668 /nfs/dbraw/zinc/07/16/68/1001071668.db2.gz SBNFNRSPKIFVDK-RDJZCZTQSA-N -1 3 369.417 2.907 20 10 FFCDHM Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)c3cc(O)c([O-])c(O)c3)c21 ZINC001148582124 1001174536 /nfs/dbraw/zinc/17/45/36/1001174536.db2.gz XVWNVLNEGGVKOX-UHFFFAOYSA-N -1 3 368.271 2.654 20 10 FFCDHM O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cc(O)c([O-])c(O)c1 ZINC001148585857 1001175054 /nfs/dbraw/zinc/17/50/54/1001175054.db2.gz BEXQLOHJDWCGBL-UHFFFAOYSA-N -1 3 362.345 2.994 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC(c2[nH]nc3ccccc32)CC1 ZINC001148587625 1001176858 /nfs/dbraw/zinc/17/68/58/1001176858.db2.gz JSMVWLJPDBXAAO-UHFFFAOYSA-N -1 3 353.378 2.700 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)c(F)cc2[O-])N1CC(F)(F)F ZINC001276191957 1016502104 /nfs/dbraw/zinc/50/21/04/1016502104.db2.gz WCOZDYBAASYHKW-CHWSQXEVSA-N -1 3 364.314 2.798 20 10 FFCDHM COC(C)(C)CN1CC[C@@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001276192178 1016504745 /nfs/dbraw/zinc/50/47/45/1016504745.db2.gz YWQAYLPCNZWQBQ-IBGZPJMESA-N -1 3 368.424 2.662 20 10 FFCDHM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(F)c(F)cc1[O-] ZINC001182675435 1001993016 /nfs/dbraw/zinc/99/30/16/1001993016.db2.gz MQXJPIRGYLLIHM-UHFFFAOYSA-N -1 3 356.394 2.841 20 10 FFCDHM COc1c([O-])c(CN(C)C[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774821323 1002807082 /nfs/dbraw/zinc/80/70/82/1002807082.db2.gz BULLOGIVOXWHMT-CYBMUJFWSA-N -1 3 360.366 2.581 20 10 FFCDHM CN(C)c1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001198137558 1004493258 /nfs/dbraw/zinc/49/32/58/1004493258.db2.gz BTEOZXICIWZYTJ-UHFFFAOYSA-N -1 3 356.813 2.985 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccccn1 ZINC000110786514 1006140794 /nfs/dbraw/zinc/14/07/94/1006140794.db2.gz CAFAEEFVGUKXDE-UHFFFAOYSA-N -1 3 373.420 2.599 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccccn1 ZINC000110786514 1006140801 /nfs/dbraw/zinc/14/08/01/1006140801.db2.gz CAFAEEFVGUKXDE-UHFFFAOYSA-N -1 3 373.420 2.599 20 10 FFCDHM C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853621817 1006480095 /nfs/dbraw/zinc/48/00/95/1006480095.db2.gz JMWULZOZTOBAJA-ABAIWWIYSA-N -1 3 367.371 2.829 20 10 FFCDHM C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853621817 1006480100 /nfs/dbraw/zinc/48/01/00/1006480100.db2.gz JMWULZOZTOBAJA-ABAIWWIYSA-N -1 3 367.371 2.829 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000855039034 1007078924 /nfs/dbraw/zinc/07/89/24/1007078924.db2.gz FAFAPVYTPPEVHQ-ZIAGYGMSSA-N -1 3 362.426 2.664 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000884806275 1007554275 /nfs/dbraw/zinc/55/42/75/1007554275.db2.gz ATAKBBVZOLAKDL-OLZOCXBDSA-N -1 3 364.442 2.721 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000855964063 1007655077 /nfs/dbraw/zinc/65/50/77/1007655077.db2.gz DDRPQVUYPPMWKW-OLZOCXBDSA-N -1 3 364.442 2.863 20 10 FFCDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c([O-])c1 ZINC000775406548 1007753465 /nfs/dbraw/zinc/75/34/65/1007753465.db2.gz YBMDXCJSRUCTJD-HNNXBMFYSA-N -1 3 369.465 2.764 20 10 FFCDHM CN(C)c1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001191067196 1007882886 /nfs/dbraw/zinc/88/28/86/1007882886.db2.gz XRGPEDDIMJSUNQ-UHFFFAOYSA-N -1 3 356.813 2.985 20 10 FFCDHM CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000857416694 1008141581 /nfs/dbraw/zinc/14/15/81/1008141581.db2.gz VPXUDSSLXPZWPR-BUXKBTBVSA-N -1 3 362.426 2.617 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@H]3C[C@H]32)cc1I ZINC001248476951 1011205110 /nfs/dbraw/zinc/20/51/10/1011205110.db2.gz VHERPRCKSJMZOV-JOYOIKCWSA-N -1 3 359.207 2.990 20 10 FFCDHM COc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1N1CCCC1=O ZINC000929472688 1019448716 /nfs/dbraw/zinc/44/87/16/1019448716.db2.gz QKIRRDHVFHQXTK-UHFFFAOYSA-N -1 3 373.384 2.988 20 10 FFCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])nnn1Cc1ccccc1F ZINC000802149419 1019813320 /nfs/dbraw/zinc/81/33/20/1019813320.db2.gz WLYCUQPIBKFJBG-UHFFFAOYSA-N -1 3 356.357 2.746 20 10 FFCDHM CC[C@@H](C)N1C(=O)COCC12CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001276765420 1032915290 /nfs/dbraw/zinc/91/52/90/1032915290.db2.gz VFRRHHYEWNTKLU-GFCCVEGCSA-N -1 3 372.387 2.623 20 10 FFCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(O)c2[O-])cc1 ZINC000188323128 1023054285 /nfs/dbraw/zinc/05/42/85/1023054285.db2.gz ZRRQYBGBOQFHSF-QGZVFWFLSA-N -1 3 370.449 2.985 20 10 FFCDHM CN(CC1=CCSC1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001121556596 1023847590 /nfs/dbraw/zinc/84/75/90/1023847590.db2.gz HATBOLXNDDCERT-UHFFFAOYSA-N -1 3 359.480 2.907 20 10 FFCDHM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193021099 1024351041 /nfs/dbraw/zinc/35/10/41/1024351041.db2.gz MJISSLNVLBXDOL-LBPRGKRZSA-N -1 3 362.376 2.895 20 10 FFCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1-c1nnnn1C1CC1 ZINC000193161615 1024406843 /nfs/dbraw/zinc/40/68/43/1024406843.db2.gz NBZBZNKHJXYCHL-UHFFFAOYSA-N -1 3 351.366 2.647 20 10 FFCDHM CN(C)C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC001141367590 1026042871 /nfs/dbraw/zinc/04/28/71/1026042871.db2.gz HEWCWNKDBKSLPW-GFCCVEGCSA-N -1 3 363.683 2.571 20 10 FFCDHM COc1ccc(N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1F ZINC000838867785 1026522420 /nfs/dbraw/zinc/52/24/20/1026522420.db2.gz DOKXZPXLISWJIZ-UHFFFAOYSA-N -1 3 358.417 2.530 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2nc[nH]c2n1 ZINC001153789469 1027996272 /nfs/dbraw/zinc/99/62/72/1027996272.db2.gz ICJVFSCEPCPHOK-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM O=C1NCCN(Cc2c([O-])ccc3ccncc32)[C@@H]1c1ccccc1F ZINC000784032813 1030430874 /nfs/dbraw/zinc/43/08/74/1030430874.db2.gz AKTSSOONSKAIQM-LJQANCHMSA-N -1 3 351.381 2.753 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001203657868 1030807262 /nfs/dbraw/zinc/80/72/62/1030807262.db2.gz HOAJSULLPIRPJO-LJQANCHMSA-N -1 3 374.872 2.707 20 10 FFCDHM O=C(NCC(F)F)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001277095136 1034504490 /nfs/dbraw/zinc/50/44/90/1034504490.db2.gz BDCXMIRKQQUEIR-NSHDSACASA-N -1 3 360.351 2.654 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001277097476 1034516553 /nfs/dbraw/zinc/51/65/53/1034516553.db2.gz HSFCQFRIUCHAJC-ORAYPTAESA-N -1 3 368.424 2.520 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCCn2nnc(COc3cccnc3)c2C1 ZINC001140063272 1035327526 /nfs/dbraw/zinc/32/75/26/1035327526.db2.gz PKYOCPUKKVRUBU-UHFFFAOYSA-N -1 3 369.400 2.503 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001140581392 1035662311 /nfs/dbraw/zinc/66/23/11/1035662311.db2.gz QYDQZJNNLIDBSL-IBGZPJMESA-N -1 3 360.408 2.953 20 10 FFCDHM Cc1cc(CN(C)Cc2ccc(I)cc2[O-])n(C)n1 ZINC001232979440 1036210679 /nfs/dbraw/zinc/21/06/79/1036210679.db2.gz YGRSPBSNBZNGAN-UHFFFAOYSA-N -1 3 371.222 2.671 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC(C)(OC)CC2)c1 ZINC001233306272 1036511298 /nfs/dbraw/zinc/51/12/98/1036511298.db2.gz LDHGQAUJBSAUCB-UHFFFAOYSA-N -1 3 372.259 2.942 20 10 FFCDHM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335339 1036541589 /nfs/dbraw/zinc/54/15/89/1036541589.db2.gz QRTDPLNIWICCMT-GFCCVEGCSA-N -1 3 356.413 2.566 20 10 FFCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001231453921 1037593876 /nfs/dbraw/zinc/59/38/76/1037593876.db2.gz MAQFAUUJBQSIFD-DOMZBBRYSA-N -1 3 364.442 2.826 20 10 FFCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001231453921 1037593888 /nfs/dbraw/zinc/59/38/88/1037593888.db2.gz MAQFAUUJBQSIFD-DOMZBBRYSA-N -1 3 364.442 2.826 20 10 FFCDHM C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453998 1037595238 /nfs/dbraw/zinc/59/52/38/1037595238.db2.gz MXKGIRRIBJSHEP-UHFFFAOYSA-N -1 3 352.431 2.827 20 10 FFCDHM C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453998 1037595251 /nfs/dbraw/zinc/59/52/51/1037595251.db2.gz MXKGIRRIBJSHEP-UHFFFAOYSA-N -1 3 352.431 2.827 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c([O-])c1 ZINC001231452914 1037595429 /nfs/dbraw/zinc/59/54/29/1037595429.db2.gz WRMZQPSMNYSTOM-UHFFFAOYSA-N -1 3 363.801 2.577 20 10 FFCDHM CCOc1ccccc1N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231559438 1037682413 /nfs/dbraw/zinc/68/24/13/1037682413.db2.gz DVABHFRAFJVWNJ-UHFFFAOYSA-N -1 3 356.422 2.811 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231560284 1037683791 /nfs/dbraw/zinc/68/37/91/1037683791.db2.gz FJWHJMJRYZUTQR-ZFWWWQNUSA-N -1 3 362.426 2.532 20 10 FFCDHM C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231563520 1037687565 /nfs/dbraw/zinc/68/75/65/1037687565.db2.gz BZZFKLCOMDZUAA-IUODEOHRSA-N -1 3 364.442 2.968 20 10 FFCDHM COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231879881 1037973306 /nfs/dbraw/zinc/97/33/06/1037973306.db2.gz UJTPLDUDMWOVFT-YOEHRIQHSA-N -1 3 369.339 2.586 20 10 FFCDHM COc1cnc(O[C@H]2CCN(Cc3ccc(OC)c(Cl)c3[O-])C2)nc1 ZINC001236810283 1038285021 /nfs/dbraw/zinc/28/50/21/1038285021.db2.gz RJDBLFXVCJDYRW-LBPRGKRZSA-N -1 3 365.817 2.506 20 10 FFCDHM CC(C)CN1C[C@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278025664 1038345764 /nfs/dbraw/zinc/34/57/64/1038345764.db2.gz WNTWAJBBFVFDKB-GOSISDBHSA-N -1 3 370.852 2.644 20 10 FFCDHM Cc1noc([C@]23COC[C@H]2CN(Cc2c([O-])ccc(Cl)c2Cl)C3)n1 ZINC001237079650 1038438240 /nfs/dbraw/zinc/43/82/40/1038438240.db2.gz FYZUQNMJBRNLNW-QLJPJBMISA-N -1 3 370.236 2.790 20 10 FFCDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)c1ccncc1 ZINC001237125306 1038450965 /nfs/dbraw/zinc/45/09/65/1038450965.db2.gz CLVQWJSBBBESMB-UHFFFAOYSA-N -1 3 363.820 2.974 20 10 FFCDHM CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001276605449 1038619110 /nfs/dbraw/zinc/61/91/10/1038619110.db2.gz IWRJRVGZPSFUPT-CJNGLKHVSA-N -1 3 360.454 2.607 20 10 FFCDHM COC1(CC(=O)N2C[C@H]3C[C@@H](C2)N3Cc2c([O-])cccc2Cl)CCC1 ZINC001278490172 1039840356 /nfs/dbraw/zinc/84/03/56/1039840356.db2.gz BQSNKHSTEHTKEP-OKILXGFUSA-N -1 3 364.873 2.790 20 10 FFCDHM CCOC(=O)c1cc2n(n1)C[C@H](C)N(Cc1c([O-])ccc3ccncc31)C2 ZINC001262056166 1041535163 /nfs/dbraw/zinc/53/51/63/1041535163.db2.gz GVKFYZBWVPJBDT-ZDUSSCGKSA-N -1 3 366.421 2.718 20 10 FFCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)c(OC3COC3)c(F)c2)no1 ZINC001215145836 1041678843 /nfs/dbraw/zinc/67/88/43/1041678843.db2.gz MDFBEJQOHDNQSZ-UHFFFAOYSA-N -1 3 362.288 2.871 20 10 FFCDHM CC(=O)N1CCCc2cc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)ccc21 ZINC001215327603 1041739657 /nfs/dbraw/zinc/73/96/57/1041739657.db2.gz KJDPENHABHCBJR-UHFFFAOYSA-N -1 3 367.361 2.820 20 10 FFCDHM Cc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)ncc1Br ZINC001215327762 1041740227 /nfs/dbraw/zinc/74/02/27/1041740227.db2.gz RQVWUIGIHLHAMM-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001262927131 1041967643 /nfs/dbraw/zinc/96/76/43/1041967643.db2.gz YSZBPNONRVCNBF-AAEUAGOBSA-N -1 3 371.466 2.803 20 10 FFCDHM CC[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@@H](C)O1 ZINC001262926730 1041967668 /nfs/dbraw/zinc/96/76/68/1041967668.db2.gz MIPRDKLOKYTFQW-GHMZBOCLSA-N -1 3 359.455 2.801 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CN(Cc4ccc[nH]4)C3)CC2)c([O-])c1 ZINC001279261406 1042971871 /nfs/dbraw/zinc/97/18/71/1042971871.db2.gz QDWZNUWIJOJNEH-UHFFFAOYSA-N -1 3 355.438 2.517 20 10 FFCDHM CN1CCO[C@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)C1 ZINC001279332682 1043007510 /nfs/dbraw/zinc/00/75/10/1043007510.db2.gz XXIFXFJIFCAMPE-MRXNPFEDSA-N -1 3 373.266 2.590 20 10 FFCDHM [O-]c1cccc(F)c1CN1CC2(CN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001279421714 1043094782 /nfs/dbraw/zinc/09/47/82/1043094782.db2.gz NWUCCMXGHGMYEY-UHFFFAOYSA-N -1 3 352.413 2.725 20 10 FFCDHM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1O ZINC001279572555 1043279114 /nfs/dbraw/zinc/27/91/14/1043279114.db2.gz LNEHLCHDSVZXQJ-OKILXGFUSA-N -1 3 374.828 2.637 20 10 FFCDHM C[C@@H]1CCCN(Cc2cccc(I)c2[O-])[C@@H]1CO ZINC001237775174 1043350397 /nfs/dbraw/zinc/35/03/97/1043350397.db2.gz DKLRMDGPOOBBET-ZWNOBZJWSA-N -1 3 361.223 2.590 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCC[C@]2(CCO2)C1 ZINC001237780560 1043352610 /nfs/dbraw/zinc/35/26/10/1043352610.db2.gz PICBVMANKLAUMC-AWEZNQCLSA-N -1 3 359.207 2.752 20 10 FFCDHM O=C(c1ccco1)N1C[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001237800389 1043366769 /nfs/dbraw/zinc/36/67/69/1043366769.db2.gz NUCXIPQSJCELAM-CHWSQXEVSA-N -1 3 364.804 2.982 20 10 FFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c(Cl)c1 ZINC001279665866 1043430539 /nfs/dbraw/zinc/43/05/39/1043430539.db2.gz RIADASBAUWDSLV-BETUJISGSA-N -1 3 367.877 2.821 20 10 FFCDHM CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237944428 1043448542 /nfs/dbraw/zinc/44/85/42/1043448542.db2.gz UBDPNBWLQKWUKB-CYBMUJFWSA-N -1 3 358.841 2.644 20 10 FFCDHM CC(C)(C)NC(=O)[C@H]1CCSC12CN(Cc1c([O-])cccc1F)C2 ZINC001280006488 1044076223 /nfs/dbraw/zinc/07/62/23/1044076223.db2.gz DXLGUXYOUUQKSG-CYBMUJFWSA-N -1 3 352.475 2.754 20 10 FFCDHM CC(C)(C)Cc1csc(NC(=O)C(=O)NCc2c([O-])cccc2F)n1 ZINC001340192688 1050601049 /nfs/dbraw/zinc/60/10/49/1050601049.db2.gz ICAKYQFVGLNGTH-UHFFFAOYSA-N -1 3 365.430 2.831 20 10 FFCDHM COC1(C)CN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001345903882 1052664162 /nfs/dbraw/zinc/66/41/62/1052664162.db2.gz JHNQWBBHGQAOPV-UHFFFAOYSA-N -1 3 371.466 2.896 20 10 FFCDHM Cc1nc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)cc(=O)[n-]1 ZINC001346974127 1053496577 /nfs/dbraw/zinc/49/65/77/1053496577.db2.gz FQWMWENYQCIWPL-UHFFFAOYSA-N -1 3 366.425 2.501 20 10 FFCDHM CN(C)c1ccc(CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C2CC2)cc1 ZINC000847324261 1055495461 /nfs/dbraw/zinc/49/54/61/1055495461.db2.gz PQMLHMGJQQTHEH-UHFFFAOYSA-N -1 3 352.438 2.930 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](OC)C1 ZINC001353726487 1056673955 /nfs/dbraw/zinc/67/39/55/1056673955.db2.gz BRILUDBPQAKFFU-NSHDSACASA-N -1 3 359.455 2.896 20 10 FFCDHM CCCCOc1ccccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001354551562 1059148900 /nfs/dbraw/zinc/14/89/00/1059148900.db2.gz UKFOODPRITYLCK-UHFFFAOYSA-N -1 3 360.385 2.965 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001456109553 1060013097 /nfs/dbraw/zinc/01/30/97/1060013097.db2.gz ZNENVNKAYHJTGB-LLVKDONJSA-N -1 3 362.788 2.854 20 10 FFCDHM CO[C@H]1CC[C@@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001355800693 1060601255 /nfs/dbraw/zinc/60/12/55/1060601255.db2.gz GWRFPZOXIBGCOH-MNOVXSKESA-N -1 3 359.455 2.801 20 10 FFCDHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001463807073 1062270604 /nfs/dbraw/zinc/27/06/04/1062270604.db2.gz IZOLHLIACLKRPE-UHFFFAOYSA-N -1 3 352.438 2.932 20 10 FFCDHM O=C([N-]c1c2nonc2ccc1Cl)c1ccnc(-c2ccccn2)n1 ZINC001525082022 1063135269 /nfs/dbraw/zinc/13/52/69/1063135269.db2.gz XRKLZFQZTHGPPE-UHFFFAOYSA-N -1 3 352.741 2.981 20 10 FFCDHM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001471975917 1064875640 /nfs/dbraw/zinc/87/56/40/1064875640.db2.gz MNQCZRGJPBJSDH-QGZVFWFLSA-N -1 3 358.413 2.675 20 10 FFCDHM N[C@](C(=O)NCc1c([O-])cccc1F)(c1cccc(F)c1)C(F)(F)F ZINC001472622805 1065114346 /nfs/dbraw/zinc/11/43/46/1065114346.db2.gz PCKSXRARQFMYOQ-HNNXBMFYSA-N -1 3 360.282 2.703 20 10 FFCDHM O=S(=O)(NC1CC1)c1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001474417105 1065516493 /nfs/dbraw/zinc/51/64/93/1065516493.db2.gz GDBIYAKFTMKYBY-UHFFFAOYSA-N -1 3 354.378 2.723 20 10 FFCDHM O=S1(=O)C[C@H](NCc2c([O-])cccc2Br)c2ccccc21 ZINC001474502424 1065537099 /nfs/dbraw/zinc/53/70/99/1065537099.db2.gz DUUQTPCIAXPXSN-ZDUSSCGKSA-N -1 3 368.252 2.773 20 10 FFCDHM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(-c2nnn[n-]2)n1 ZINC001582814888 1079112487 /nfs/dbraw/zinc/11/24/87/1079112487.db2.gz UUZPEGSJWOYVAA-UHFFFAOYSA-N -1 3 351.197 2.564 20 10 FFCDHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001585158948 1079433287 /nfs/dbraw/zinc/43/32/87/1079433287.db2.gz YIKIMVVOKQGPAG-MRXNPFEDSA-N -1 3 372.856 2.989 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)SCC(=O)N3)ccc1[N+](=O)[O-] ZINC001560977499 1076315606 /nfs/dbraw/zinc/31/56/06/1076315606.db2.gz HMSQYIYTTDEZFU-UHFFFAOYSA-N -1 3 361.379 2.965 20 10 FFCDHM CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001562556083 1076503487 /nfs/dbraw/zinc/50/34/87/1076503487.db2.gz CPCNZYLQIMOWPB-UHFFFAOYSA-N -1 3 370.377 2.786 20 10 FFCDHM C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960049 1080903840 /nfs/dbraw/zinc/90/38/40/1080903840.db2.gz ZNDOCSMRDBGWOD-ADLMAVQZSA-N -1 3 373.844 2.784 20 10 FFCDHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091981994 508029609 /nfs/dbraw/zinc/02/96/09/508029609.db2.gz KFOHIFJWBFSJJD-DOMZBBRYSA-N -1 3 354.472 2.805 20 10 FFCDHM C[C@H](NCc1cc(Br)ccc1[O-])C(=O)NCc1ccco1 ZINC000111399333 508097021 /nfs/dbraw/zinc/09/70/21/508097021.db2.gz HQHPQNWUDREXBF-JTQLQIEISA-N -1 3 353.216 2.542 20 10 FFCDHM CCC[C@]1(C)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000075500386 508111590 /nfs/dbraw/zinc/11/15/90/508111590.db2.gz KLGSYQWEUVRDFW-QGZVFWFLSA-N -1 3 354.472 2.806 20 10 FFCDHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000093613528 508149684 /nfs/dbraw/zinc/14/96/84/508149684.db2.gz JKLCTEXIXVYFGY-CABCVRRESA-N -1 3 370.833 2.706 20 10 FFCDHM CCS(=O)(=O)c1ccc2oc(CN(C)Cc3ccccc3[O-])nc2c1 ZINC000137277896 508749031 /nfs/dbraw/zinc/74/90/31/508749031.db2.gz QMKJEEXRFIUHCD-UHFFFAOYSA-N -1 3 360.435 2.959 20 10 FFCDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1ccc(F)cc1 ZINC000179099412 509263850 /nfs/dbraw/zinc/26/38/50/509263850.db2.gz YQTJVRUCJFNGPT-UHFFFAOYSA-N -1 3 366.396 2.515 20 10 FFCDHM CC[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)N1CCOCC1 ZINC000185665588 509294620 /nfs/dbraw/zinc/29/46/20/509294620.db2.gz CIOQUONJXVQKET-MFKMUULPSA-N -1 3 361.269 2.987 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000185901954 509416493 /nfs/dbraw/zinc/41/64/93/509416493.db2.gz CKOCGNUYYOHATM-UHFFFAOYSA-N -1 3 363.417 2.736 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1O ZINC000267564744 509544431 /nfs/dbraw/zinc/54/44/31/509544431.db2.gz HGATURMLEFJQBJ-GFCCVEGCSA-N -1 3 363.435 2.643 20 10 FFCDHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000177670577 510192776 /nfs/dbraw/zinc/19/27/76/510192776.db2.gz RQKNJZNCGMTUBF-UHFFFAOYSA-N -1 3 368.433 2.567 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1sc(C)nc1C ZINC000181590481 510489540 /nfs/dbraw/zinc/48/95/40/510489540.db2.gz RGHXLDOLUDFMQP-UHFFFAOYSA-N -1 3 368.842 2.934 20 10 FFCDHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000266520201 510636257 /nfs/dbraw/zinc/63/62/57/510636257.db2.gz ZQXINZMWUAVJCI-UHFFFAOYSA-N -1 3 369.464 2.522 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1nc(C)no1 ZINC000175848218 510822335 /nfs/dbraw/zinc/82/23/35/510822335.db2.gz KDRIONXFQXNVCK-UHFFFAOYSA-N -1 3 368.231 2.827 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(COC)on1 ZINC000175851049 510823665 /nfs/dbraw/zinc/82/36/65/510823665.db2.gz RSGDWHWXASLDRV-UHFFFAOYSA-N -1 3 369.215 2.951 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCO[C@@H](C2CC2)C1 ZINC000277321522 510960949 /nfs/dbraw/zinc/96/09/49/510960949.db2.gz UGEKCAUMVPHHKX-GOEBONIOSA-N -1 3 364.829 2.767 20 10 FFCDHM C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CN1C1CC1 ZINC000277613655 510967101 /nfs/dbraw/zinc/96/71/01/510967101.db2.gz VWCLQSQGPXVKTG-CMPLNLGQSA-N -1 3 368.275 2.579 20 10 FFCDHM CO[C@@H]1[C@H](C)[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277920166 510975970 /nfs/dbraw/zinc/97/59/70/510975970.db2.gz JGGORXNYQPYIAR-HPEXNQPKSA-N -1 3 366.845 2.869 20 10 FFCDHM COCCN(Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278236147 510986249 /nfs/dbraw/zinc/98/62/49/510986249.db2.gz NFJURFNAXHRQML-UHFFFAOYSA-N -1 3 350.371 2.859 20 10 FFCDHM CN1CCN(c2ncccc2CNCc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294202818 510988753 /nfs/dbraw/zinc/98/87/53/510988753.db2.gz KXIFMTWPMHMLBM-UHFFFAOYSA-N -1 3 364.852 2.621 20 10 FFCDHM COc1c([O-])c(CNc2cc(C(=O)N(C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000278555943 510998496 /nfs/dbraw/zinc/99/84/96/510998496.db2.gz AQDINFLEJXZSJR-UHFFFAOYSA-N -1 3 359.382 2.931 20 10 FFCDHM O=S(=O)(CCNCc1cc(Cl)c(F)cc1[O-])Cc1ccccc1 ZINC000294294171 511016852 /nfs/dbraw/zinc/01/68/52/511016852.db2.gz POXFKXNNCHJKIB-UHFFFAOYSA-N -1 3 357.834 2.889 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000289780376 511115450 /nfs/dbraw/zinc/11/54/50/511115450.db2.gz ROOPFKYHARKYTP-CQSZACIVSA-N -1 3 364.320 2.588 20 10 FFCDHM CCc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1[O-] ZINC000291733229 511314276 /nfs/dbraw/zinc/31/42/76/511314276.db2.gz CHJULEAPMOPWOC-UHFFFAOYSA-N -1 3 372.440 2.985 20 10 FFCDHM C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480398 511529072 /nfs/dbraw/zinc/52/90/72/511529072.db2.gz UGXFSUWUGHORAI-GUYCJALGSA-N -1 3 370.409 2.537 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000273610863 511550692 /nfs/dbraw/zinc/55/06/92/511550692.db2.gz VTJZLKZODUXHLJ-KSSFIOAISA-N -1 3 370.449 2.529 20 10 FFCDHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280663700 511554064 /nfs/dbraw/zinc/55/40/64/511554064.db2.gz OQVNLXIPEBXABL-LBPRGKRZSA-N -1 3 364.442 2.863 20 10 FFCDHM CO[C@](C)(CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)C1CC1 ZINC000292500448 511620360 /nfs/dbraw/zinc/62/03/60/511620360.db2.gz JUMPVYQLFVRFBA-QGZVFWFLSA-N -1 3 352.818 2.625 20 10 FFCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2ccncc2)no1 ZINC000366073634 511823842 /nfs/dbraw/zinc/82/38/42/511823842.db2.gz PDPPKVQKAPCANF-CQSZACIVSA-N -1 3 354.366 2.670 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000366096688 511837187 /nfs/dbraw/zinc/83/71/87/511837187.db2.gz SICKVLJTMSMAAS-KRWDZBQOSA-N -1 3 352.390 2.686 20 10 FFCDHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000372281911 512794594 /nfs/dbraw/zinc/79/45/94/512794594.db2.gz KRJQBLSZXLXZPD-KGLIPLIRSA-N -1 3 357.834 2.597 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc3cccnc3c2[O-])n(C2CCOCC2)n1 ZINC000529502272 517183844 /nfs/dbraw/zinc/18/38/44/517183844.db2.gz PTBGBKBZQLBEJX-UHFFFAOYSA-N -1 3 366.421 2.727 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)NCc3cnc(C)[n-]c3=O)ccc21 ZINC000542388730 517536316 /nfs/dbraw/zinc/53/63/16/517536316.db2.gz RYBYWDHJARYZHK-UHFFFAOYSA-N -1 3 368.437 2.639 20 10 FFCDHM CCOc1cccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821431621 599225447 /nfs/dbraw/zinc/22/54/47/599225447.db2.gz XVEBDUOGHUXBFO-UHFFFAOYSA-N -1 3 355.427 2.579 20 10 FFCDHM CCOc1cccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821431621 599225449 /nfs/dbraw/zinc/22/54/49/599225449.db2.gz XVEBDUOGHUXBFO-UHFFFAOYSA-N -1 3 355.427 2.579 20 10 FFCDHM Cc1cc(C(=O)NCC(F)(F)F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235731 598611144 /nfs/dbraw/zinc/61/11/44/598611144.db2.gz YOHXDHGXAMBFLO-UHFFFAOYSA-N -1 3 364.331 2.566 20 10 FFCDHM COc1ccc2c(c1)CCCN2Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000826213050 607515757 /nfs/dbraw/zinc/51/57/57/607515757.db2.gz JREWITDBGWRHQL-UHFFFAOYSA-N -1 3 351.410 2.837 20 10 FFCDHM COc1ccc2c(c1)CCCN2Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000826213050 607515759 /nfs/dbraw/zinc/51/57/59/607515759.db2.gz JREWITDBGWRHQL-UHFFFAOYSA-N -1 3 351.410 2.837 20 10 FFCDHM CN(C)c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)cc1 ZINC000821589695 606490605 /nfs/dbraw/zinc/49/06/05/606490605.db2.gz ZCRSEPASKFOCED-UHFFFAOYSA-N -1 3 368.466 2.799 20 10 FFCDHM CN(C)c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)cc1 ZINC000821589695 606490606 /nfs/dbraw/zinc/49/06/06/606490606.db2.gz ZCRSEPASKFOCED-UHFFFAOYSA-N -1 3 368.466 2.799 20 10 FFCDHM COc1ccc(N(C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821827454 606881820 /nfs/dbraw/zinc/88/18/20/606881820.db2.gz BITPWMCWURRUJJ-UHFFFAOYSA-N -1 3 372.816 2.604 20 10 FFCDHM COc1ccc(N(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821827454 606881821 /nfs/dbraw/zinc/88/18/21/606881821.db2.gz BITPWMCWURRUJJ-UHFFFAOYSA-N -1 3 372.816 2.604 20 10 FFCDHM Cc1c(Cl)cnc(N(C)Cc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826236814 609521653 /nfs/dbraw/zinc/52/16/53/609521653.db2.gz CWGCHIHUBAMWIK-UHFFFAOYSA-N -1 3 357.849 2.926 20 10 FFCDHM Cc1c(Cl)cnc(N(C)Cc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000826236814 609521654 /nfs/dbraw/zinc/52/16/54/609521654.db2.gz CWGCHIHUBAMWIK-UHFFFAOYSA-N -1 3 357.849 2.926 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)c(F)c1 ZINC000055109830 728094977 /nfs/dbraw/zinc/09/49/77/728094977.db2.gz FMGPNBSBPIBPMZ-VIFPVBQESA-N -1 3 370.377 2.533 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000093910637 728478576 /nfs/dbraw/zinc/47/85/76/728478576.db2.gz ITTMLCXOBRKHLS-KRWDZBQOSA-N -1 3 360.435 2.645 20 10 FFCDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862247596 730681425 /nfs/dbraw/zinc/68/14/25/730681425.db2.gz JQZFTJVEBNNZPP-AWEZNQCLSA-N -1 3 372.259 2.697 20 10 FFCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1c1ccco1 ZINC000869789231 731439818 /nfs/dbraw/zinc/43/98/18/731439818.db2.gz UULRLDFSXJGRRX-OAHLLOKOSA-N -1 3 364.423 2.580 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)CC2)c1 ZINC000871223508 731608855 /nfs/dbraw/zinc/60/88/55/731608855.db2.gz XDCHNFMRWVQFNJ-CQSZACIVSA-N -1 3 366.483 2.806 20 10 FFCDHM O=C1NCCc2ccc(CNCc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000757944786 736437965 /nfs/dbraw/zinc/43/79/65/736437965.db2.gz VTJPSDUHQBOQTR-UHFFFAOYSA-N -1 3 361.785 2.530 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])Cc2ccccc21 ZINC000769614943 737546763 /nfs/dbraw/zinc/54/67/63/737546763.db2.gz MJMCWLVWBTUYIG-GFCCVEGCSA-N -1 3 360.435 2.523 20 10 FFCDHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1C ZINC000776639294 738217749 /nfs/dbraw/zinc/21/77/49/738217749.db2.gz YBNNRHGRGHSXCO-UHFFFAOYSA-N -1 3 364.423 2.810 20 10 FFCDHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1 ZINC000808105278 741186882 /nfs/dbraw/zinc/18/68/82/741186882.db2.gz BCDCPFGYLPBYTC-UHFFFAOYSA-N -1 3 373.427 2.516 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)CCn2cc(Br)cn2)c1[O-] ZINC000808802822 741262244 /nfs/dbraw/zinc/26/22/44/741262244.db2.gz UMIIETHMGHROJF-UHFFFAOYSA-N -1 3 370.222 2.825 20 10 FFCDHM [O-]c1ccc(Br)cc1CNCc1ncc(C2OCCO2)s1 ZINC000809713390 741335795 /nfs/dbraw/zinc/33/57/95/741335795.db2.gz OAYVFRJAEALGFD-UHFFFAOYSA-N -1 3 371.256 2.946 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1coc(CO)c1 ZINC000821064538 742582804 /nfs/dbraw/zinc/58/28/04/742582804.db2.gz CWTWXCVOOZQGKX-HNNXBMFYSA-N -1 3 364.829 2.525 20 10 FFCDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000824616496 743117456 /nfs/dbraw/zinc/11/74/56/743117456.db2.gz WQSCHQYNBUWQFW-GFCCVEGCSA-N -1 3 357.248 2.817 20 10 FFCDHM O=C1CN(Cc2cc(Br)ccc2[O-])CN1CCC(F)(F)F ZINC000824710080 743133277 /nfs/dbraw/zinc/13/32/77/743133277.db2.gz VVWJXTHNPUWOBF-UHFFFAOYSA-N -1 3 367.165 2.709 20 10 FFCDHM CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825715793 743316744 /nfs/dbraw/zinc/31/67/44/743316744.db2.gz GSJUNIFVPBWFGI-ZDUSSCGKSA-N -1 3 362.289 2.554 20 10 FFCDHM CCS(=O)(=O)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825716600 743316980 /nfs/dbraw/zinc/31/69/80/743316980.db2.gz VYWYXRWUJWZRCC-UHFFFAOYSA-N -1 3 362.289 2.554 20 10 FFCDHM CN(C)C(=O)O[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000826036288 743359156 /nfs/dbraw/zinc/35/91/56/743359156.db2.gz DTVJXRPIXLJBAK-ZDUSSCGKSA-N -1 3 357.248 2.817 20 10 FFCDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000826036287 743359722 /nfs/dbraw/zinc/35/97/22/743359722.db2.gz DTVJXRPIXLJBAK-CYBMUJFWSA-N -1 3 357.248 2.817 20 10 FFCDHM Fc1ccccc1NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826378558 743382967 /nfs/dbraw/zinc/38/29/67/743382967.db2.gz PTXAIMSCVDNWDZ-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Fc1ccccc1NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826378558 743382973 /nfs/dbraw/zinc/38/29/73/743382973.db2.gz PTXAIMSCVDNWDZ-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM CC(C)NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000827688059 744960470 /nfs/dbraw/zinc/96/04/70/744960470.db2.gz ZDNHYNSARCSDGG-NSHDSACASA-N -1 3 355.822 2.690 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000832298276 745674322 /nfs/dbraw/zinc/67/43/22/745674322.db2.gz KQRRTEGAGVPFJS-LKFCYVNXSA-N -1 3 351.752 2.993 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039196 747753800 /nfs/dbraw/zinc/75/38/00/747753800.db2.gz BOSBYUZUKRSTOP-JOYOIKCWSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039196 747753805 /nfs/dbraw/zinc/75/38/05/747753805.db2.gz BOSBYUZUKRSTOP-JOYOIKCWSA-N -1 3 358.232 2.706 20 10 FFCDHM O=C1NCC2(CCN(Cc3ccc(F)c(F)c3[O-])CC2)Oc2ccccc21 ZINC000896445261 971495128 /nfs/dbraw/zinc/49/51/28/971495128.db2.gz UHZKRSFOQDQNJK-UHFFFAOYSA-N -1 3 374.387 2.827 20 10 FFCDHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000286335785 968346037 /nfs/dbraw/zinc/34/60/37/968346037.db2.gz LRYAGGHICUSBQW-SUMWQHHRSA-N -1 3 374.462 2.987 20 10 FFCDHM CO[C@H]1C[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])Cc3cccnc3N2C1 ZINC000895439577 970617385 /nfs/dbraw/zinc/61/73/85/970617385.db2.gz DHQJURMKEFNITF-CVEARBPZSA-N -1 3 361.392 2.675 20 10 FFCDHM CC(=O)N1CC[C@H](NC(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC000921666534 986139319 /nfs/dbraw/zinc/13/93/19/986139319.db2.gz GMAGJGFPRDNULT-INIZCTEOSA-N -1 3 357.385 2.828 20 10 FFCDHM CC(=O)[C@@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232979654 986351776 /nfs/dbraw/zinc/35/17/76/986351776.db2.gz ICLMCLQHTLADLB-LLVKDONJSA-N -1 3 359.207 2.798 20 10 FFCDHM NC(=O)c1c[nH]c2ncnc(NCc3cc(Cl)c4cccnc4c3[O-])c12 ZINC001168521756 989998356 /nfs/dbraw/zinc/99/83/56/989998356.db2.gz JGOGYMVEJMTGTN-UHFFFAOYSA-N -1 3 368.784 2.528 20 10 FFCDHM Cc1nc(C)c(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)[n-]1 ZINC000918658642 990462961 /nfs/dbraw/zinc/46/29/61/990462961.db2.gz PJGRWKUYMNCTNP-UHFFFAOYSA-N -1 3 356.470 2.845 20 10 FFCDHM COc1cc(Cl)cc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c1O ZINC001599420982 997593272 /nfs/dbraw/zinc/59/32/72/997593272.db2.gz UTLNNZBRWZOEOT-UHFFFAOYSA-N -1 3 369.845 2.636 20 10 FFCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000844447842 997895289 /nfs/dbraw/zinc/89/52/89/997895289.db2.gz WEPKHIFSHVKIHD-ISTRZQFTSA-N -1 3 367.417 2.570 20 10 FFCDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000774910436 1003011859 /nfs/dbraw/zinc/01/18/59/1003011859.db2.gz XUUVEBJLHIWGAI-LSDHHAIUSA-N -1 3 365.430 2.530 20 10 FFCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774910432 1003012228 /nfs/dbraw/zinc/01/22/28/1003012228.db2.gz XUUVEBJLHIWGAI-GJZGRUSLSA-N -1 3 365.430 2.530 20 10 FFCDHM Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856301144 1007756677 /nfs/dbraw/zinc/75/66/77/1007756677.db2.gz FTMNOMAGRBIQAV-KRWDZBQOSA-N -1 3 374.462 2.880 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000886130280 1008577432 /nfs/dbraw/zinc/57/74/32/1008577432.db2.gz ALVUBMJMIHZPRS-MRXNPFEDSA-N -1 3 355.390 2.589 20 10 FFCDHM Cc1nnc(COc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)o1 ZINC001136674504 1008929145 /nfs/dbraw/zinc/92/91/45/1008929145.db2.gz LIVYBPPUURUZGF-UHFFFAOYSA-N -1 3 355.350 2.929 20 10 FFCDHM COc1cccc(C2(NC(=O)c3cccc(O)c3[O-])CCOCC2)c1F ZINC000773809321 1009293949 /nfs/dbraw/zinc/29/39/49/1009293949.db2.gz BESOOMVYDKKTSS-UHFFFAOYSA-N -1 3 361.369 2.681 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000928709825 1019082767 /nfs/dbraw/zinc/08/27/67/1019082767.db2.gz MENHKPDYJPGMRQ-KRWDZBQOSA-N -1 3 358.369 2.579 20 10 FFCDHM CCOc1ccccc1[C@@H](CC(=O)NCc1c([O-])cccc1F)NC(C)=O ZINC000928712062 1019086887 /nfs/dbraw/zinc/08/68/87/1019086887.db2.gz NSKUPZDIBZXXJK-QGZVFWFLSA-N -1 3 374.412 2.814 20 10 FFCDHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(C)n1-c1cccc(C)c1 ZINC000155400894 1022249294 /nfs/dbraw/zinc/24/92/94/1022249294.db2.gz RXTQKOBQWRAGSY-UHFFFAOYSA-N -1 3 371.466 2.857 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000750821779 1022586073 /nfs/dbraw/zinc/58/60/73/1022586073.db2.gz BUPNIMFIZJNFFA-HNNXBMFYSA-N -1 3 361.373 2.568 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CC[NH2+]C[C@@H]3C)c1C2=O ZINC001218415692 1033145885 /nfs/dbraw/zinc/14/58/85/1033145885.db2.gz PMDQXIMSRIEJEC-ZBEGNZNMSA-N -1 3 367.401 2.558 20 10 FFCDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2O)c1 ZINC000755516359 1023605999 /nfs/dbraw/zinc/60/59/99/1023605999.db2.gz QNYSKVRHIBYMLZ-UHFFFAOYSA-N -1 3 367.361 2.577 20 10 FFCDHM C[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)CCO1 ZINC001123438994 1023801886 /nfs/dbraw/zinc/80/18/86/1023801886.db2.gz DEMBPWXDSXRSOR-LLVKDONJSA-N -1 3 371.466 2.896 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001137834871 1033170951 /nfs/dbraw/zinc/17/09/51/1033170951.db2.gz WSOAQOOQOMTWCC-YSIASYRMSA-N -1 3 358.413 2.875 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000837236276 1025673542 /nfs/dbraw/zinc/67/35/42/1025673542.db2.gz IBZFFVULPXHQRR-CHWSQXEVSA-N -1 3 364.442 2.721 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000837790762 1026024457 /nfs/dbraw/zinc/02/44/57/1026024457.db2.gz KYGVZTXIWMHPFN-KRWDZBQOSA-N -1 3 363.360 2.962 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)c3ccc(C(C)=O)c([O-])c3)CC2)cc1 ZINC000839555533 1026730896 /nfs/dbraw/zinc/73/08/96/1026730896.db2.gz DTXRTFHGMQMTDB-UHFFFAOYSA-N -1 3 368.433 2.956 20 10 FFCDHM CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001156163721 1029069602 /nfs/dbraw/zinc/06/96/02/1029069602.db2.gz BKTIYHILTDHHEG-UHFFFAOYSA-N -1 3 358.413 2.875 20 10 FFCDHM Cc1cc2nc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cn2cn1 ZINC001156435283 1029193156 /nfs/dbraw/zinc/19/31/56/1029193156.db2.gz BXPROAROIUHVFT-UHFFFAOYSA-N -1 3 367.796 2.875 20 10 FFCDHM Cc1cc([O-])c(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)c(Cl)c1 ZINC000840947106 1029941900 /nfs/dbraw/zinc/94/19/00/1029941900.db2.gz ZZECTUHWBKVYQB-IBGZPJMESA-N -1 3 373.884 2.698 20 10 FFCDHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(F)c(F)cc3[O-])O2)n1 ZINC001142512875 1030562570 /nfs/dbraw/zinc/56/25/70/1030562570.db2.gz OFUOONFJMHMPAV-FVQBIDKESA-N -1 3 351.353 2.856 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001142517526 1030566935 /nfs/dbraw/zinc/56/69/35/1030566935.db2.gz QHOHSFHVAAFPHJ-AYBZRNKSSA-N -1 3 362.376 2.876 20 10 FFCDHM O=C(C1CCC1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203642099 1030799838 /nfs/dbraw/zinc/79/98/38/1030799838.db2.gz FLMUIKVFXZAKRM-UHFFFAOYSA-N -1 3 367.287 2.989 20 10 FFCDHM Cc1cnc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)nc1 ZINC001203648628 1030804117 /nfs/dbraw/zinc/80/41/17/1030804117.db2.gz OWSGDNNTVNVCCW-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203658732 1030814418 /nfs/dbraw/zinc/81/44/18/1030814418.db2.gz NAIBTSYALMLIDH-UHFFFAOYSA-N -1 3 360.845 2.531 20 10 FFCDHM CCCn1cncc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC001204867630 1031457934 /nfs/dbraw/zinc/45/79/34/1031457934.db2.gz XBLCCAZJAGDFAW-UHFFFAOYSA-N -1 3 351.834 2.827 20 10 FFCDHM C[C@@]1(c2cccc(NC(=O)NCc3c([O-])cccc3F)c2)COC(=O)N1 ZINC001219966987 1033914797 /nfs/dbraw/zinc/91/47/97/1033914797.db2.gz YMNDKSSFOFPQSG-SFHVURJKSA-N -1 3 359.357 2.808 20 10 FFCDHM COC(=O)C1(C)CC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226384121 1034662826 /nfs/dbraw/zinc/66/28/26/1034662826.db2.gz MGNHUWPYGYCBRI-UHFFFAOYSA-N -1 3 366.369 2.888 20 10 FFCDHM COC(=O)CCN(Cc1ccco1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129438 1034958793 /nfs/dbraw/zinc/95/87/93/1034958793.db2.gz ZQPRCLGHWBFGPL-UHFFFAOYSA-N -1 3 371.389 2.965 20 10 FFCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)cc1 ZINC001139690022 1035198846 /nfs/dbraw/zinc/19/88/46/1035198846.db2.gz MHFQVTAGWIBOBO-CQSZACIVSA-N -1 3 362.376 2.813 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140337933 1035442996 /nfs/dbraw/zinc/44/29/96/1035442996.db2.gz NUBNPOGRIUNZIP-NEPJUHHUSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3ccc(Cl)cc3[O-])[C@@H]2C1 ZINC001140465620 1035485414 /nfs/dbraw/zinc/48/54/14/1035485414.db2.gz RAKCUFPQEPZBRK-YSVLISHTSA-N -1 3 352.862 2.550 20 10 FFCDHM O=C(c1ccccc1F)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232261112 1035533226 /nfs/dbraw/zinc/53/32/26/1035533226.db2.gz CNNACKPZIMQIHS-UHFFFAOYSA-N -1 3 364.804 2.848 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1CCc2ncnc(N3CCCC3)c2CC1 ZINC001140580718 1035661851 /nfs/dbraw/zinc/66/18/51/1035661851.db2.gz JERVWOKRCZMYHI-UHFFFAOYSA-N -1 3 360.408 2.661 20 10 FFCDHM COCCCN1CC[C@]2(CCCN2Cc2cccc(Cl)c2[O-])C1=O ZINC001277231501 1035671339 /nfs/dbraw/zinc/67/13/39/1035671339.db2.gz CNTHGWJNTWCVCG-GOSISDBHSA-N -1 3 352.862 2.649 20 10 FFCDHM CC(=O)N1CCC[C@H](N(C)Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029350 1036268169 /nfs/dbraw/zinc/26/81/69/1036268169.db2.gz CCWIWKBCIQDJGZ-LBPRGKRZSA-N -1 3 359.239 2.737 20 10 FFCDHM [O-]c1cc(Br)cc(F)c1CN1CCN(C2CCOCC2)CC1 ZINC001233031768 1036269513 /nfs/dbraw/zinc/26/95/13/1036269513.db2.gz LRSBSYQONDPLPF-UHFFFAOYSA-N -1 3 373.266 2.590 20 10 FFCDHM O=C1C[C@@]2(CCN(Cc3c([O-])ccc(F)c3F)C2)CN1c1ccccn1 ZINC001233333574 1036540960 /nfs/dbraw/zinc/54/09/60/1036540960.db2.gz AOXAJZJFEDTZMI-LJQANCHMSA-N -1 3 359.376 2.694 20 10 FFCDHM CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1c([O-])ccc(F)c1F ZINC001233336472 1036545026 /nfs/dbraw/zinc/54/50/26/1036545026.db2.gz MYGOPUHOBYZBSH-ZFWWWQNUSA-N -1 3 372.412 2.737 20 10 FFCDHM [O-]c1c(CN2CC[C@@H](Oc3ncc(F)cn3)C2)cccc1C(F)(F)F ZINC001233419971 1036613127 /nfs/dbraw/zinc/61/31/27/1036613127.db2.gz UTECHXCSGGOQGZ-GFCCVEGCSA-N -1 3 357.307 2.993 20 10 FFCDHM O=C1C[C@@]2(CN1C1COC1)CCCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388688 1036684109 /nfs/dbraw/zinc/68/41/09/1036684109.db2.gz ZQMLGFSATGSYRV-GOSISDBHSA-N -1 3 368.836 2.541 20 10 FFCDHM CCOC(=O)[C@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229541945 1036730876 /nfs/dbraw/zinc/73/08/76/1036730876.db2.gz IXDCERMDUMIXOF-NSHDSACASA-N -1 3 354.358 2.806 20 10 FFCDHM Cc1cc(OC2CCN(C)CC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543249 1036731248 /nfs/dbraw/zinc/73/12/48/1036731248.db2.gz XLZLNHGBFJWSNO-UHFFFAOYSA-N -1 3 351.402 2.949 20 10 FFCDHM O=C1CCCC2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)N1 ZINC001235060554 1037333013 /nfs/dbraw/zinc/33/30/13/1037333013.db2.gz LJJKOGZTURSEKY-UHFFFAOYSA-N -1 3 371.250 2.929 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231449699 1037588304 /nfs/dbraw/zinc/58/83/04/1037588304.db2.gz MDBCCYQMBIDQSD-UHFFFAOYSA-N -1 3 350.415 2.533 20 10 FFCDHM COC(=O)[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001231455104 1037597397 /nfs/dbraw/zinc/59/73/97/1037597397.db2.gz WMIQZJSBEMLHMC-SJORKVTESA-N -1 3 373.380 2.618 20 10 FFCDHM COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001231455104 1037597404 /nfs/dbraw/zinc/59/74/04/1037597404.db2.gz WMIQZJSBEMLHMC-SJORKVTESA-N -1 3 373.380 2.618 20 10 FFCDHM C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455690 1037598115 /nfs/dbraw/zinc/59/81/15/1037598115.db2.gz UCFGMAYHQQITBX-DOMZBBRYSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455690 1037598122 /nfs/dbraw/zinc/59/81/22/1037598122.db2.gz UCFGMAYHQQITBX-DOMZBBRYSA-N -1 3 364.442 2.968 20 10 FFCDHM COc1ccc(CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@H](C)O)cc1 ZINC001231559980 1037682221 /nfs/dbraw/zinc/68/22/21/1037682221.db2.gz LUFGQEBYUAUPBM-CQSZACIVSA-N -1 3 359.422 2.525 20 10 FFCDHM COc1ccc(CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@H](C)O)cc1 ZINC001231559980 1037682247 /nfs/dbraw/zinc/68/22/47/1037682247.db2.gz LUFGQEBYUAUPBM-CQSZACIVSA-N -1 3 359.422 2.525 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(C(=O)[O-])ccc1O)[C@@H]2C ZINC001231564406 1037687496 /nfs/dbraw/zinc/68/74/96/1037687496.db2.gz UKPQOKPVBWQDPB-CQSZACIVSA-N -1 3 372.469 2.704 20 10 FFCDHM NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566088 1037690003 /nfs/dbraw/zinc/69/00/03/1037690003.db2.gz PUQNCBDAYHCITC-IEBWSBKVSA-N -1 3 368.433 2.714 20 10 FFCDHM NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566088 1037690008 /nfs/dbraw/zinc/69/00/08/1037690008.db2.gz PUQNCBDAYHCITC-IEBWSBKVSA-N -1 3 368.433 2.714 20 10 FFCDHM CC(=O)N1CCC[C@]2(CN(Cc3cc(Cl)c(C)cc3[O-])CCO2)C1 ZINC001231868491 1037965795 /nfs/dbraw/zinc/96/57/95/1037965795.db2.gz CNFLUQBSQRWWFT-SFHVURJKSA-N -1 3 352.862 2.567 20 10 FFCDHM CCOC[C@H]1CN(Cc2ccc3ccccc3c2[O-])Cc2nnn(C)c21 ZINC001231880490 1037974303 /nfs/dbraw/zinc/97/43/03/1037974303.db2.gz NNPVHHSVGKWPDN-MRXNPFEDSA-N -1 3 352.438 2.810 20 10 FFCDHM COCCCN1CC[C@@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278025737 1038344064 /nfs/dbraw/zinc/34/40/64/1038344064.db2.gz ZDLDAZREPXWSSF-SFHVURJKSA-N -1 3 370.852 2.788 20 10 FFCDHM CC(C)CN1CCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3[O-])CC2)C1=O ZINC001276649821 1038981482 /nfs/dbraw/zinc/98/14/82/1038981482.db2.gz VICYOVPVSXYTPS-UHFFFAOYSA-N -1 3 360.454 2.561 20 10 FFCDHM CC(C)CN1CC[C@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251445185 1039134825 /nfs/dbraw/zinc/13/48/25/1039134825.db2.gz YFHDHVAFRHGSHY-NSHDSACASA-N -1 3 367.298 2.708 20 10 FFCDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cc2ccccc2cc1O ZINC001258472890 1039386508 /nfs/dbraw/zinc/38/65/08/1039386508.db2.gz LZVAPHLXTBFDAM-UHFFFAOYSA-N -1 3 365.842 2.719 20 10 FFCDHM O=C(Nc1cccnc1)N1CC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001278491742 1039898582 /nfs/dbraw/zinc/89/85/82/1039898582.db2.gz ZOCHMMNWHASVJJ-UHFFFAOYSA-N -1 3 358.829 2.790 20 10 FFCDHM COc1ccc(CN2CC3CC(C3)C2)c([O-])c1I ZINC001248498944 1040301778 /nfs/dbraw/zinc/30/17/78/1040301778.db2.gz WCGFTJJIKNZMEF-UHFFFAOYSA-N -1 3 359.207 2.847 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CCN1C ZINC001248884993 1040494215 /nfs/dbraw/zinc/49/42/15/1040494215.db2.gz HVVUMUHDBGBHGN-HNNXBMFYSA-N -1 3 354.878 2.632 20 10 FFCDHM CC(=O)N1CCCc2cc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)ccc21 ZINC001215325479 1041738978 /nfs/dbraw/zinc/73/89/78/1041738978.db2.gz WGXXALPTCLILJU-UHFFFAOYSA-N -1 3 367.361 2.820 20 10 FFCDHM Cc1cc([O-])c(CN2CC(N3CCC(F)(F)C3)C2)cc1Br ZINC001237680452 1043306471 /nfs/dbraw/zinc/30/64/71/1043306471.db2.gz CIFUDHZJBLLVLI-UHFFFAOYSA-N -1 3 361.230 2.988 20 10 FFCDHM CCCN1CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237781079 1043354453 /nfs/dbraw/zinc/35/44/53/1043354453.db2.gz RQFODJKUTZUHGH-UHFFFAOYSA-N -1 3 360.239 2.524 20 10 FFCDHM CN1CC2(C1)CN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])C2 ZINC001237785995 1043357961 /nfs/dbraw/zinc/35/79/61/1043357961.db2.gz MITKCZDZNSRDPI-UHFFFAOYSA-N -1 3 365.193 2.921 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)C1CCOCC1 ZINC001237941321 1043445793 /nfs/dbraw/zinc/44/57/93/1043445793.db2.gz VCGUIYRFWWVHAW-CQSZACIVSA-N -1 3 370.852 2.692 20 10 FFCDHM [O-]c1cc(Cl)c(F)cc1CN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001237940062 1043446012 /nfs/dbraw/zinc/44/60/12/1043446012.db2.gz ASOAPDCKCRVPMS-MRXNPFEDSA-N -1 3 364.848 2.863 20 10 FFCDHM CCC1=NC2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)C(=O)N1C ZINC001237941536 1043446165 /nfs/dbraw/zinc/44/61/65/1043446165.db2.gz YIGVGXXAVKRUHK-UHFFFAOYSA-N -1 3 353.825 2.800 20 10 FFCDHM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001309879364 1043570067 /nfs/dbraw/zinc/57/00/67/1043570067.db2.gz QKRAPHKSMKOHAS-UHFFFAOYSA-N -1 3 374.777 2.880 20 10 FFCDHM COC(=O)c1conc1C(C)(C)NCc1ccc(Br)cc1[O-] ZINC001327889827 1048084732 /nfs/dbraw/zinc/08/47/32/1048084732.db2.gz AIUZJJKNSIQWCA-UHFFFAOYSA-N -1 3 369.215 2.954 20 10 FFCDHM C[C@]1(c2ccccc2)CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737734571 1048657134 /nfs/dbraw/zinc/65/71/34/1048657134.db2.gz MDEJSYSKTPGHIR-FQEVSTJZSA-N -1 3 366.421 2.687 20 10 FFCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC001303498972 1051369182 /nfs/dbraw/zinc/36/91/82/1051369182.db2.gz BQXBASKGALJBCJ-CHWSQXEVSA-N -1 3 364.442 2.721 20 10 FFCDHM CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001338514254 1055582618 /nfs/dbraw/zinc/58/26/18/1055582618.db2.gz TZNXSQZKQYJJRX-LBPRGKRZSA-N -1 3 360.385 2.964 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001456090561 1060010377 /nfs/dbraw/zinc/01/03/77/1060010377.db2.gz MAVGRHWPUDTQOD-UHFFFAOYSA-N -1 3 359.357 2.970 20 10 FFCDHM COC(=O)C1([C@@]2(O)CCCN(Cc3c([O-])ccc(Cl)c3F)C2)CCC1 ZINC001462610942 1061691442 /nfs/dbraw/zinc/69/14/42/1061691442.db2.gz IJJXNLXOAITSSC-GOSISDBHSA-N -1 3 371.836 2.855 20 10 FFCDHM CCc1c(C(=O)NCc2c([O-])cccc2F)nnn1Cc1ccc(F)cc1 ZINC001471975751 1064875829 /nfs/dbraw/zinc/87/58/29/1064875829.db2.gz GACRXSDDYACCKS-UHFFFAOYSA-N -1 3 372.375 2.803 20 10 FFCDHM CN(CC(=O)NCc1ccccc1)Cc1c([O-])cccc1Br ZINC001474588833 1065557974 /nfs/dbraw/zinc/55/79/74/1065557974.db2.gz MZACQPYWGFIQII-UHFFFAOYSA-N -1 3 363.255 2.903 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001474731423 1065593047 /nfs/dbraw/zinc/59/30/47/1065593047.db2.gz IRYHDAYEXFJIRY-SFHVURJKSA-N -1 3 372.412 2.522 20 10 FFCDHM Oc1c(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccc2cccnc21 ZINC001582814276 1079112627 /nfs/dbraw/zinc/11/26/27/1079112627.db2.gz CJGIHCXMFDUKIN-UHFFFAOYSA-N -1 3 353.773 2.781 20 10 FFCDHM COc1cccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1O ZINC001574231880 1077934143 /nfs/dbraw/zinc/93/41/43/1077934143.db2.gz JSFMMYDECAHUCZ-CQSZACIVSA-N -1 3 360.410 2.585 20 10 FFCDHM C[C@@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589936555 1080880315 /nfs/dbraw/zinc/88/03/15/1080880315.db2.gz DQYFRPANSKXBIZ-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589936555 1080880321 /nfs/dbraw/zinc/88/03/21/1080880321.db2.gz DQYFRPANSKXBIZ-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590006561 1080933297 /nfs/dbraw/zinc/93/32/97/1080933297.db2.gz AAGSNXYOSPJSJH-JYKYSHPRSA-N -1 3 352.350 2.596 20 10 FFCDHM C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590006561 1080933300 /nfs/dbraw/zinc/93/33/00/1080933300.db2.gz AAGSNXYOSPJSJH-JYKYSHPRSA-N -1 3 352.350 2.596 20 10 FFCDHM Cc1cc(Br)cc(C[NH2+][C@@H](Cc2cncs2)C(=O)[O-])c1[O-] ZINC001607563635 1126234132 /nfs/dbraw/zinc/23/41/32/1126234132.db2.gz RYLWRHXLNTWKIV-LBPRGKRZSA-N -1 3 371.256 2.705 20 10 FFCDHM C[C@](O)(CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000371116899 512226617 /nfs/dbraw/zinc/22/66/17/512226617.db2.gz HJGPXRGUMKEGCW-LPHOPBHVSA-N -1 3 366.889 2.677 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000094101400 508168057 /nfs/dbraw/zinc/16/80/57/508168057.db2.gz RVELJPRYCHLLOX-UHFFFAOYSA-N -1 3 366.483 2.949 20 10 FFCDHM Nc1nccc([C@@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)n1 ZINC000377691167 512400651 /nfs/dbraw/zinc/40/06/51/512400651.db2.gz HJTSXNKFCNMWJC-LLVKDONJSA-N -1 3 363.259 2.737 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3sccc32)c1 ZINC000137366892 508752823 /nfs/dbraw/zinc/75/28/23/508752823.db2.gz ADVICXIXTYORGF-ZDUSSCGKSA-N -1 3 366.464 2.633 20 10 FFCDHM COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(OC)c1[O-] ZINC000162504448 509238724 /nfs/dbraw/zinc/23/87/24/509238724.db2.gz MEVUTOLKEYAJGA-UHFFFAOYSA-N -1 3 356.422 2.722 20 10 FFCDHM CCN(Cc1cc(Br)cc(C)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000180243905 509830585 /nfs/dbraw/zinc/83/05/85/509830585.db2.gz JFVKKRPNUSKMMI-NSHDSACASA-N -1 3 364.305 2.718 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000177256836 509962536 /nfs/dbraw/zinc/96/25/36/509962536.db2.gz AXCJLXTXZNGVDO-UHFFFAOYSA-N -1 3 362.445 2.958 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NOC[C@@H]1CCOC1 ZINC000190442253 510132870 /nfs/dbraw/zinc/13/28/70/510132870.db2.gz PSJOVPLDQPBQMO-LLVKDONJSA-N -1 3 373.247 2.654 20 10 FFCDHM C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187800931 510444270 /nfs/dbraw/zinc/44/42/70/510444270.db2.gz PJZUSPOQENYBDL-KCJUWKMLSA-N -1 3 352.303 2.874 20 10 FFCDHM COc1cc(Cl)cc(CN2CCN(Cc3cc(C)no3)CC2)c1[O-] ZINC000184676197 510454749 /nfs/dbraw/zinc/45/47/49/510454749.db2.gz BWMHYDXYVKQWOW-UHFFFAOYSA-N -1 3 351.834 2.668 20 10 FFCDHM C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000191196231 510544893 /nfs/dbraw/zinc/54/48/93/510544893.db2.gz LXKMGKCXFXKVNJ-LLVKDONJSA-N -1 3 370.421 2.772 20 10 FFCDHM CC(C)(C)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000172130984 510559509 /nfs/dbraw/zinc/55/95/09/510559509.db2.gz SLOGICFMVXUPRW-UHFFFAOYSA-N -1 3 354.472 2.662 20 10 FFCDHM Cc1ccc(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)c([O-])c1O ZINC000181829719 510616443 /nfs/dbraw/zinc/61/64/43/510616443.db2.gz OVFPCFBITVPRLI-HNNXBMFYSA-N -1 3 355.369 2.798 20 10 FFCDHM C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850172 511015529 /nfs/dbraw/zinc/01/55/29/511015529.db2.gz ZCPFPAWGUKRPPT-CABZTGNLSA-N -1 3 354.319 2.584 20 10 FFCDHM CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000286000329 511017834 /nfs/dbraw/zinc/01/78/34/511017834.db2.gz IQGDPKGQNPHCJM-MRXNPFEDSA-N -1 3 352.431 2.680 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCCC(=O)N1 ZINC000289608353 511106732 /nfs/dbraw/zinc/10/67/32/511106732.db2.gz LBLJLOSWBKRQHS-ZDUSSCGKSA-N -1 3 369.259 2.562 20 10 FFCDHM COc1ccc(NCc2cccc(F)c2[O-])cc1S(=O)(=O)NC1CC1 ZINC000289637331 511108165 /nfs/dbraw/zinc/10/81/65/511108165.db2.gz XIHJHOLNWJYPMQ-UHFFFAOYSA-N -1 3 366.414 2.593 20 10 FFCDHM COCCCn1nccc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000282875335 511144804 /nfs/dbraw/zinc/14/48/04/511144804.db2.gz WEKFNPCIKCFWCU-LJQANCHMSA-N -1 3 359.470 2.806 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])C[C@](C)(F)C1 ZINC000295356861 511375167 /nfs/dbraw/zinc/37/51/67/511375167.db2.gz IYUGPQFZHHRPNK-SFHVURJKSA-N -1 3 368.405 2.519 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000272751935 511506568 /nfs/dbraw/zinc/50/65/68/511506568.db2.gz JWZMDOQISPPXRE-ZDUSSCGKSA-N -1 3 364.442 2.735 20 10 FFCDHM CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000280799752 511606543 /nfs/dbraw/zinc/60/65/43/511606543.db2.gz SEMWJWXXYYXDBO-LBPRGKRZSA-N -1 3 360.385 2.825 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1O ZINC000281460556 511857723 /nfs/dbraw/zinc/85/77/23/511857723.db2.gz BYOPPRHBBDLGHK-CQSZACIVSA-N -1 3 354.406 2.531 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1[O-] ZINC000366373932 511985244 /nfs/dbraw/zinc/98/52/44/511985244.db2.gz GOFGIONWWQUNJI-HNNXBMFYSA-N -1 3 357.447 2.523 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000370032498 512735779 /nfs/dbraw/zinc/73/57/79/512735779.db2.gz LKNYAGDHBFALDR-MEDUHNTESA-N -1 3 372.259 2.543 20 10 FFCDHM CC1(N2CCOCC2)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000529665231 517271506 /nfs/dbraw/zinc/27/15/06/517271506.db2.gz VXHNTKSGTRFFNB-UHFFFAOYSA-N -1 3 369.303 2.841 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529682524 517282405 /nfs/dbraw/zinc/28/24/05/517282405.db2.gz VSRFEDCGPJFJOD-UVARLRKDSA-N -1 3 358.301 2.949 20 10 FFCDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCSc1nccs1 ZINC000737803968 598912017 /nfs/dbraw/zinc/91/20/17/598912017.db2.gz XAXSHEJPMCXPCF-SREVYHEPSA-N -1 3 372.479 2.635 20 10 FFCDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCSc1nccs1 ZINC000737803968 598912019 /nfs/dbraw/zinc/91/20/19/598912019.db2.gz XAXSHEJPMCXPCF-SREVYHEPSA-N -1 3 372.479 2.635 20 10 FFCDHM [O-]c1c(Br)cccc1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738398147 598275209 /nfs/dbraw/zinc/27/52/09/598275209.db2.gz UNKVTJOQNLQERS-UHFFFAOYSA-N -1 3 360.215 2.625 20 10 FFCDHM CCN(CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000739434215 602311278 /nfs/dbraw/zinc/31/12/78/602311278.db2.gz NWYABRWBPOKPAQ-UHFFFAOYSA-N -1 3 350.419 2.675 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2C[C@@H](CNC(=O)[O-])C[C@H]2C)c1[O-] ZINC000833897409 605996359 /nfs/dbraw/zinc/99/63/59/605996359.db2.gz KEBLQMWGUXJOOI-GHMZBOCLSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@@H](CNC(=O)[O-])C[C@H]2C)c1[O-] ZINC000833897409 605996362 /nfs/dbraw/zinc/99/63/62/605996362.db2.gz KEBLQMWGUXJOOI-GHMZBOCLSA-N -1 3 357.248 2.941 20 10 FFCDHM CN(CCCOc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC000825923261 607927419 /nfs/dbraw/zinc/92/74/19/607927419.db2.gz DUFLURBGJSSYJV-UHFFFAOYSA-N -1 3 353.382 2.501 20 10 FFCDHM CN(CCCOc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000825923261 607927420 /nfs/dbraw/zinc/92/74/20/607927420.db2.gz DUFLURBGJSSYJV-UHFFFAOYSA-N -1 3 353.382 2.501 20 10 FFCDHM C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825976770 608521551 /nfs/dbraw/zinc/52/15/51/608521551.db2.gz POGBWIKYKCTQSU-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825976770 608521552 /nfs/dbraw/zinc/52/15/52/608521552.db2.gz POGBWIKYKCTQSU-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825976770 608521553 /nfs/dbraw/zinc/52/15/53/608521553.db2.gz POGBWIKYKCTQSU-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825976770 608521554 /nfs/dbraw/zinc/52/15/54/608521554.db2.gz POGBWIKYKCTQSU-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000080101905 728322065 /nfs/dbraw/zinc/32/20/65/728322065.db2.gz FXRLWMNXJIGCKN-STQMWFEESA-N -1 3 362.451 2.686 20 10 FFCDHM CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000092509645 728468117 /nfs/dbraw/zinc/46/81/17/728468117.db2.gz BXWZRKMJGUUNHI-AWEZNQCLSA-N -1 3 355.276 2.988 20 10 FFCDHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094102676 728479482 /nfs/dbraw/zinc/47/94/82/728479482.db2.gz CRYLOZQKXUQAOF-SWLSCSKDSA-N -1 3 354.472 2.852 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101569369 728486491 /nfs/dbraw/zinc/48/64/91/728486491.db2.gz VVDSKRXOBTWOAF-UHFFFAOYSA-N -1 3 369.830 2.793 20 10 FFCDHM CNC(=O)c1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000121153049 728621424 /nfs/dbraw/zinc/62/14/24/728621424.db2.gz BYHSUTQZTJYYQQ-UHFFFAOYSA-N -1 3 363.801 2.945 20 10 FFCDHM CC(C)C(=O)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862229839 730678567 /nfs/dbraw/zinc/67/85/67/730678567.db2.gz OWEWMICGGXUNJN-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2ccncc2)CC1 ZINC000862302578 730686944 /nfs/dbraw/zinc/68/69/44/730686944.db2.gz WJAKDNBDSCJHDH-UHFFFAOYSA-N -1 3 362.271 2.868 20 10 FFCDHM CCOC(=O)[C@@H](NCc1c([O-])cccc1Br)[C@@H]1CCCOC1 ZINC000862339609 730690235 /nfs/dbraw/zinc/69/02/35/730690235.db2.gz ZNABHPOJYLIYGC-ABAIWWIYSA-N -1 3 372.259 2.603 20 10 FFCDHM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(N2CCCCC2)cc1 ZINC000866642505 731082579 /nfs/dbraw/zinc/08/25/79/731082579.db2.gz NBGBVMQBLTWKEC-UHFFFAOYSA-N -1 3 373.544 2.519 20 10 FFCDHM O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1c([O-])cccc1F ZINC000926298032 738594556 /nfs/dbraw/zinc/59/45/56/738594556.db2.gz KUTYMCWTDSOJKY-TVQRCGJNSA-N -1 3 350.312 2.831 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[O-] ZINC000879342105 732687060 /nfs/dbraw/zinc/68/70/60/732687060.db2.gz YBZZWZZJERSVGW-GXFFZTMASA-N -1 3 351.752 2.851 20 10 FFCDHM CN(C)c1nccc(CNCc2cc(Cl)cc(Br)c2[O-])n1 ZINC000883083315 733329695 /nfs/dbraw/zinc/32/96/95/733329695.db2.gz HVOYILMVBDCKDD-UHFFFAOYSA-N -1 3 371.666 2.954 20 10 FFCDHM COCCS(=O)(=O)c1ccc(CN[C@H](C)c2c([O-])cccc2F)cc1 ZINC000886601394 733808179 /nfs/dbraw/zinc/80/81/79/733808179.db2.gz ROMOLHFCMNSZMX-CYBMUJFWSA-N -1 3 367.442 2.802 20 10 FFCDHM Cc1cccc(C)c1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000887960860 733997391 /nfs/dbraw/zinc/99/73/91/733997391.db2.gz UHSUBAMJPXMWSY-UHFFFAOYSA-N -1 3 362.451 2.653 20 10 FFCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H](Cn2ccnn2)C1 ZINC000895228164 734976376 /nfs/dbraw/zinc/97/63/76/734976376.db2.gz JFBRSUALRVTPBK-SNVBAGLBSA-N -1 3 371.666 2.922 20 10 FFCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC000736680621 734993038 /nfs/dbraw/zinc/99/30/38/734993038.db2.gz APPHGJSSSAKXPG-UHFFFAOYSA-N -1 3 351.453 2.719 20 10 FFCDHM CCOC(=O)c1sc([C@H](C)NC(=O)c2cccc(O)c2[O-])nc1C ZINC000790875214 739507715 /nfs/dbraw/zinc/50/77/15/739507715.db2.gz DXUKSWJALNKFEB-VIFPVBQESA-N -1 3 350.396 2.530 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000767427411 737324746 /nfs/dbraw/zinc/32/47/46/737324746.db2.gz ZTZOITGRLHMGAV-CQSZACIVSA-N -1 3 367.199 2.886 20 10 FFCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(C)(C)C1 ZINC000768646835 737444981 /nfs/dbraw/zinc/44/49/81/737444981.db2.gz DQUWBSOICAHPPM-UHFFFAOYSA-N -1 3 354.472 2.662 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000769639693 737548581 /nfs/dbraw/zinc/54/85/81/737548581.db2.gz TXCFBPXSWSFYEC-MGPQQGTHSA-N -1 3 366.483 2.852 20 10 FFCDHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1)C(F)(F)F ZINC000917716150 737773171 /nfs/dbraw/zinc/77/31/71/737773171.db2.gz RFYYUHVKPMUDNG-UHFFFAOYSA-N -1 3 360.313 2.694 20 10 FFCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccc(N2CCOCC2)n1 ZINC000776010901 738151624 /nfs/dbraw/zinc/15/16/24/738151624.db2.gz WYYNYECMWNOJLS-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM COC(=O)CN(CC(=O)c1cc(C)[nH]c1C)Cc1cc(Cl)ccc1[O-] ZINC000777613908 738305899 /nfs/dbraw/zinc/30/58/99/738305899.db2.gz TYPGYBUHSHIVSO-UHFFFAOYSA-N -1 3 364.829 2.848 20 10 FFCDHM COc1ccccc1CCNC(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000798087234 740303054 /nfs/dbraw/zinc/30/30/54/740303054.db2.gz POZPEGAZGZSPBG-UHFFFAOYSA-N -1 3 366.820 2.642 20 10 FFCDHM COc1ncc(NCc2cc(C)cc(Br)c2[O-])cc1C(N)=O ZINC000802648256 740714934 /nfs/dbraw/zinc/71/49/34/740714934.db2.gz RQCRLRCYZFBYCS-UHFFFAOYSA-N -1 3 366.215 2.578 20 10 FFCDHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1O ZINC000804902133 740914363 /nfs/dbraw/zinc/91/43/63/740914363.db2.gz VEKPMRCTSDZVCA-UHFFFAOYSA-N -1 3 351.742 2.804 20 10 FFCDHM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812419174 741619342 /nfs/dbraw/zinc/61/93/42/741619342.db2.gz IJAMHXCDKABWAK-OLZOCXBDSA-N -1 3 370.471 2.594 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCN(Cc2cscn2)CC1 ZINC000824611133 743116162 /nfs/dbraw/zinc/11/61/62/743116162.db2.gz WBTDRXODYJEAMB-UHFFFAOYSA-N -1 3 368.300 2.929 20 10 FFCDHM CCN(Cc1ccc(Br)cc1[O-])[C@H](C)CS(=O)(=O)CC ZINC000824814110 743153872 /nfs/dbraw/zinc/15/38/72/743153872.db2.gz LWBKAYZDEBAECZ-LLVKDONJSA-N -1 3 364.305 2.800 20 10 FFCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCOC2)O1 ZINC000825748428 743321463 /nfs/dbraw/zinc/32/14/63/743321463.db2.gz AJSZJYBUBLNYGA-ZBFHGGJFSA-N -1 3 356.260 2.925 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000837120897 746370541 /nfs/dbraw/zinc/37/05/41/746370541.db2.gz GXEQEESVDVRSSX-NWDGAFQWSA-N -1 3 350.415 2.521 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Cl)c1 ZINC000840909468 747221789 /nfs/dbraw/zinc/22/17/89/747221789.db2.gz CRIIOCGNLQPIAO-UHFFFAOYSA-N -1 3 362.817 2.979 20 10 FFCDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569930 747406708 /nfs/dbraw/zinc/40/67/08/747406708.db2.gz OTRVYZXBMKDIOQ-GFCCVEGCSA-N -1 3 351.472 2.575 20 10 FFCDHM CCn1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000843832958 747906931 /nfs/dbraw/zinc/90/69/31/747906931.db2.gz ZDBKKYQOOVBXES-OAHLLOKOSA-N -1 3 362.861 2.656 20 10 FFCDHM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1[O-] ZINC000848561046 748961004 /nfs/dbraw/zinc/96/10/04/748961004.db2.gz ONQXGEHAKOCXHM-SECBINFHSA-N -1 3 354.252 2.747 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275892369 1013152698 /nfs/dbraw/zinc/15/26/98/1013152698.db2.gz BQIILYXOVWAEKC-KPZWWZAWSA-N -1 3 350.846 2.590 20 10 FFCDHM CC(C)CN1C[C@@]2(F)CN(Cc3ccc(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001275895160 1013153351 /nfs/dbraw/zinc/15/33/51/1013153351.db2.gz GHYJJIANEZZRRZ-DLBZAZTESA-N -1 3 358.816 2.776 20 10 FFCDHM CC(C)(C)C(=O)CN1CC[C@]2(CCCN2Cc2cccc(F)c2[O-])C1=O ZINC001276087252 1013436850 /nfs/dbraw/zinc/43/68/50/1013436850.db2.gz ZJDAOEZYYAWCMR-HXUWFJFHSA-N -1 3 362.445 2.713 20 10 FFCDHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCC2 ZINC000179403919 968711716 /nfs/dbraw/zinc/71/17/16/968711716.db2.gz PMYFAOVOLMABJE-KRWDZBQOSA-N -1 3 374.462 2.880 20 10 FFCDHM COc1ccc2c(c1)c1c(n2CC(=O)NCc2ncccc2[O-])CCCC1 ZINC000651948360 974608713 /nfs/dbraw/zinc/60/87/13/974608713.db2.gz JYWSSUDRPMJTNL-UHFFFAOYSA-N -1 3 365.433 2.946 20 10 FFCDHM N[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@H]1F ZINC001204843866 980783734 /nfs/dbraw/zinc/78/37/34/980783734.db2.gz YDGJHKKDIVUBLE-ZJUUUORDSA-N -1 3 357.145 2.655 20 10 FFCDHM O=C(NCCCC(=O)N1Cc2ccccc2C1)NCc1c([O-])cccc1F ZINC000917998062 990318001 /nfs/dbraw/zinc/31/80/01/990318001.db2.gz IHIZAEMDZXWLOE-UHFFFAOYSA-N -1 3 371.412 2.653 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236981218 991985373 /nfs/dbraw/zinc/98/53/73/991985373.db2.gz LSWAXQGMSSAVBY-SNVBAGLBSA-N -1 3 357.145 2.630 20 10 FFCDHM COc1cc(C)c(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391436 997044286 /nfs/dbraw/zinc/04/42/86/997044286.db2.gz XLIQMDIIUQISNV-ZWKOTPCHSA-N -1 3 357.406 2.715 20 10 FFCDHM COc1cc(C)c(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391436 997044298 /nfs/dbraw/zinc/04/42/98/997044298.db2.gz XLIQMDIIUQISNV-ZWKOTPCHSA-N -1 3 357.406 2.715 20 10 FFCDHM COC1CCN(c2ccc(CN[C@H](C(=O)[O-])c3cccc(O)c3)cc2)CC1 ZINC001599127297 997874497 /nfs/dbraw/zinc/87/44/97/997874497.db2.gz RYFDKHCSDLCHAB-FQEVSTJZSA-N -1 3 370.449 2.923 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c([O-])c1C ZINC000740128725 999662866 /nfs/dbraw/zinc/66/28/66/999662866.db2.gz SVNOSSCMLSYHMW-UHFFFAOYSA-N -1 3 367.449 2.963 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001148213862 1001068835 /nfs/dbraw/zinc/06/88/35/1001068835.db2.gz LFPTWOOEQLUSPV-VLIAUNLRSA-N -1 3 354.406 2.814 20 10 FFCDHM COC(=O)c1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1C(F)(F)F ZINC001148586377 1001175168 /nfs/dbraw/zinc/17/51/68/1001175168.db2.gz MEYJIRXGHRAXRO-UHFFFAOYSA-N -1 3 371.267 2.861 20 10 FFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000790539002 1002395731 /nfs/dbraw/zinc/39/57/31/1002395731.db2.gz LRYQBVQHTMRBSK-NSHDSACASA-N -1 3 355.394 2.873 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](O)Cc1ccc(O)cc1 ZINC001183904641 1002424925 /nfs/dbraw/zinc/42/49/25/1002424925.db2.gz WWZAIHNUBHZLRA-INIZCTEOSA-N -1 3 372.808 2.519 20 10 FFCDHM COC(=O)N[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(C)C ZINC001183950920 1002450274 /nfs/dbraw/zinc/45/02/74/1002450274.db2.gz ZJKZKKCNDOCJPG-ZDUSSCGKSA-N -1 3 365.817 2.591 20 10 FFCDHM CC1(C)OCC(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CO1 ZINC001184456771 1002622504 /nfs/dbraw/zinc/62/25/04/1002622504.db2.gz WDJGQHWLYBJMNX-UHFFFAOYSA-N -1 3 350.802 2.609 20 10 FFCDHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCN(C)CC2)c1 ZINC001185824729 1003088688 /nfs/dbraw/zinc/08/86/88/1003088688.db2.gz JLMWRPOFSMRKNV-UHFFFAOYSA-N -1 3 363.458 2.687 20 10 FFCDHM O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000792600822 1003089410 /nfs/dbraw/zinc/08/94/10/1003089410.db2.gz NCVCSTPZEGXIPL-MRXNPFEDSA-N -1 3 355.390 2.836 20 10 FFCDHM COC(=O)c1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775072978 1003524357 /nfs/dbraw/zinc/52/43/57/1003524357.db2.gz HKGYFQQQRHBWNZ-UHFFFAOYSA-N -1 3 358.350 2.658 20 10 FFCDHM COC(=O)c1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccn1 ZINC001197054323 1004049062 /nfs/dbraw/zinc/04/90/62/1004049062.db2.gz LNHNZKZAAKXDQF-UHFFFAOYSA-N -1 3 371.780 2.705 20 10 FFCDHM COC(=O)c1ncccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001192505037 1004181967 /nfs/dbraw/zinc/18/19/67/1004181967.db2.gz HPDFTRZAWGEJLY-UHFFFAOYSA-N -1 3 371.780 2.705 20 10 FFCDHM O=S(=O)([N-]Cc1ccccc1O)c1cccc(F)c1Br ZINC001201788277 1005273921 /nfs/dbraw/zinc/27/39/21/1005273921.db2.gz GUKOQDKVSWIFEE-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(O)c2[O-])cc1C ZINC000776643370 1006288577 /nfs/dbraw/zinc/28/85/77/1006288577.db2.gz DDCRWROSXPQHQV-OAHLLOKOSA-N -1 3 372.446 2.868 20 10 FFCDHM CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000857416693 1008141619 /nfs/dbraw/zinc/14/16/19/1008141619.db2.gz VPXUDSSLXPZWPR-BLVKFPJESA-N -1 3 362.426 2.617 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875490 1008233420 /nfs/dbraw/zinc/23/34/20/1008233420.db2.gz QHLVJUPNRQAGGL-KPZWWZAWSA-N -1 3 354.406 2.543 20 10 FFCDHM C[C@H]1CC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070496 1012238940 /nfs/dbraw/zinc/23/89/40/1012238940.db2.gz XRPGNKRULMOVHG-GXTWGEPZSA-N -1 3 364.442 2.658 20 10 FFCDHM O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1c([O-])cccc1F ZINC000928711159 1019085889 /nfs/dbraw/zinc/08/58/89/1019085889.db2.gz FVMHKFYSLWRVJR-UHFFFAOYSA-N -1 3 372.396 2.891 20 10 FFCDHM CCc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c([O-])c1 ZINC000190087124 1023401689 /nfs/dbraw/zinc/40/16/89/1023401689.db2.gz MMVLYVZPRUVPOF-UHFFFAOYSA-N -1 3 367.449 2.875 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N(CCCCO)C1CC1 ZINC001121557135 1023847656 /nfs/dbraw/zinc/84/76/56/1023847656.db2.gz MGGOUSFBDXJJIR-UHFFFAOYSA-N -1 3 359.455 2.539 20 10 FFCDHM NC(=O)c1cc2cc(N3CCN(Cc4c([O-])cccc4F)CC3)ccc2o1 ZINC001137840336 1033185337 /nfs/dbraw/zinc/18/53/37/1033185337.db2.gz XZAIJHWXFFNNND-UHFFFAOYSA-N -1 3 369.396 2.699 20 10 FFCDHM Cc1ccc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)c([O-])c1O ZINC000780953106 1028891697 /nfs/dbraw/zinc/89/16/97/1028891697.db2.gz SLXYOJGZQGUBNS-UHFFFAOYSA-N -1 3 353.334 2.777 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001156170334 1029074370 /nfs/dbraw/zinc/07/43/70/1029074370.db2.gz LKKLPALZSLMPJX-HNNXBMFYSA-N -1 3 368.408 2.689 20 10 FFCDHM O=C([O-])c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000840994432 1029965492 /nfs/dbraw/zinc/96/54/92/1029965492.db2.gz OZEVYBKGPAIOKC-UHFFFAOYSA-N -1 3 358.413 2.775 20 10 FFCDHM CC(C)(C)OC(=O)N1CCO[C@H]2CN(Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC001138123976 1033801281 /nfs/dbraw/zinc/80/12/81/1033801281.db2.gz UKLFYVIICKHEHB-HOTGVXAUSA-N -1 3 366.433 2.742 20 10 FFCDHM CC1CCC2(CC1)OC[C@@H](CNC(=O)NCc1c([O-])cccc1F)O2 ZINC001225148089 1034146782 /nfs/dbraw/zinc/14/67/82/1034146782.db2.gz LQFLGAOWYTTXCI-YNAXMUEKSA-N -1 3 352.406 2.652 20 10 FFCDHM CC1=C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC(=O)O1 ZINC001226380551 1034659371 /nfs/dbraw/zinc/65/93/71/1034659371.db2.gz YBHPKIWZPUSPOB-LLVKDONJSA-N -1 3 350.326 2.766 20 10 FFCDHM CC1=C(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C(=O)O[C@H]1C ZINC001226380450 1034660031 /nfs/dbraw/zinc/66/00/31/1034660031.db2.gz VLNNRTHPCJFRKR-JTQLQIEISA-N -1 3 350.326 2.766 20 10 FFCDHM O=C(c1cccnc1)N1CCC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001140345388 1035447110 /nfs/dbraw/zinc/44/71/10/1035447110.db2.gz UKIZHBOXGTYMCX-UHFFFAOYSA-N -1 3 357.841 2.789 20 10 FFCDHM C[C@@H](N[C@@H](C)C(=O)NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834895725 1035470331 /nfs/dbraw/zinc/47/03/31/1035470331.db2.gz DAEGPYFDERQERA-KGLIPLIRSA-N -1 3 357.410 2.698 20 10 FFCDHM COc1cc(O[C@H]2CCN(C)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227395303 1035533882 /nfs/dbraw/zinc/53/38/82/1035533882.db2.gz NHNBNJCBLRQAKS-LBPRGKRZSA-N -1 3 367.401 2.568 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2c1cnn2C ZINC001232268981 1035540724 /nfs/dbraw/zinc/54/07/24/1035540724.db2.gz XTRFGSXYIMRYMQ-ZDUSSCGKSA-N -1 3 365.861 2.924 20 10 FFCDHM CC[C@@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001277214967 1035586015 /nfs/dbraw/zinc/58/60/15/1035586015.db2.gz UVQBQJOZKLQBFE-CYBMUJFWSA-N -1 3 352.862 2.566 20 10 FFCDHM O=C(c1ccsc1)N1C[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]2C1 ZINC001140581134 1035662454 /nfs/dbraw/zinc/66/24/54/1035662454.db2.gz QTJAPUPZCDNPJU-STQMWFEESA-N -1 3 364.417 2.936 20 10 FFCDHM CC(C)=CCN1C[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277232117 1035677188 /nfs/dbraw/zinc/67/71/88/1035677188.db2.gz KVFOUDGHBBAPQZ-IBGZPJMESA-N -1 3 364.873 2.815 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](C)[C@@](C)(O)C2)c1 ZINC001233306228 1036512339 /nfs/dbraw/zinc/51/23/39/1036512339.db2.gz JUQGEWQZMZNVRL-HWPZZCPQSA-N -1 3 372.259 2.534 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c([O-])c1 ZINC001231449788 1037587508 /nfs/dbraw/zinc/58/75/08/1037587508.db2.gz KWQIEPMVYPHVRQ-ZHALLVOQSA-N -1 3 361.438 2.639 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c([O-])c1 ZINC001231449788 1037587513 /nfs/dbraw/zinc/58/75/13/1037587513.db2.gz KWQIEPMVYPHVRQ-ZHALLVOQSA-N -1 3 361.438 2.639 20 10 FFCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231565020 1037689941 /nfs/dbraw/zinc/68/99/41/1037689941.db2.gz NPXHHPCQMTZCSJ-ZDUSSCGKSA-N -1 3 364.442 2.779 20 10 FFCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231565020 1037689945 /nfs/dbraw/zinc/68/99/45/1037689945.db2.gz NPXHHPCQMTZCSJ-ZDUSSCGKSA-N -1 3 364.442 2.779 20 10 FFCDHM Cc1cc([O-])c(CN2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001231870441 1037968749 /nfs/dbraw/zinc/96/87/49/1037968749.db2.gz BAVNVNSRDULXQW-HUUCEWRRSA-N -1 3 370.877 2.814 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC3(CCOC3=O)CC2)c1 ZINC001236671755 1038184893 /nfs/dbraw/zinc/18/48/93/1038184893.db2.gz XXXGGLRSSVHXNW-UHFFFAOYSA-N -1 3 354.244 2.992 20 10 FFCDHM COc1cc([O-])c(CN2CCN(CC(F)F)CC2)c(Br)c1 ZINC001237071674 1038434479 /nfs/dbraw/zinc/43/44/79/1038434479.db2.gz WGSXZPITIGTLKH-UHFFFAOYSA-N -1 3 365.218 2.546 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001276606376 1038624586 /nfs/dbraw/zinc/62/45/86/1038624586.db2.gz YZJZOXZOPGTECZ-HXUWFJFHSA-N -1 3 358.438 2.600 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001276606376 1038624589 /nfs/dbraw/zinc/62/45/89/1038624589.db2.gz YZJZOXZOPGTECZ-HXUWFJFHSA-N -1 3 358.438 2.600 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC001251150108 1038970270 /nfs/dbraw/zinc/97/02/70/1038970270.db2.gz XEMVUSNICIUZGX-QWHCGFSZSA-N -1 3 371.412 2.697 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@@H](F)C2)cc1I ZINC001248462285 1040286057 /nfs/dbraw/zinc/28/60/57/1040286057.db2.gz SPTGENLMWLLDRW-SECBINFHSA-N -1 3 351.159 2.549 20 10 FFCDHM CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCc1c([O-])cccc1F ZINC001213799354 1040923747 /nfs/dbraw/zinc/92/37/47/1040923747.db2.gz CQTTVGJPZCTGCT-ROUUACIJSA-N -1 3 365.426 2.653 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCc1c([O-])cccc1F)C2 ZINC001262641594 1041771139 /nfs/dbraw/zinc/77/11/39/1041771139.db2.gz IARFZRNJVUDHGD-UHFFFAOYSA-N -1 3 350.390 2.547 20 10 FFCDHM CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2Cc1c([O-])ccc(F)c1F ZINC001279489217 1043174533 /nfs/dbraw/zinc/17/45/33/1043174533.db2.gz MMUYFVYRVQYQEY-HOTGVXAUSA-N -1 3 362.424 2.736 20 10 FFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001279514382 1043210160 /nfs/dbraw/zinc/21/01/60/1043210160.db2.gz RICJSLLPZMKORK-UHFFFAOYSA-N -1 3 352.360 2.594 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(C)(C)C)C(=O)C2)cc1Br ZINC001237682328 1043309077 /nfs/dbraw/zinc/30/90/77/1043309077.db2.gz QZLMHSRCPUHQLE-UHFFFAOYSA-N -1 3 355.276 2.906 20 10 FFCDHM CCO[C@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237780133 1043353724 /nfs/dbraw/zinc/35/37/24/1043353724.db2.gz QAPOANSBQJSVCG-LBPRGKRZSA-N -1 3 361.223 2.998 20 10 FFCDHM C[C@@H]1CN(Cc2cccc(I)c2[O-])CC[C@]1(C)O ZINC001237775059 1043349147 /nfs/dbraw/zinc/34/91/47/1043349147.db2.gz BUCREQYEOSJRER-YGRLFVJLSA-N -1 3 361.223 2.590 20 10 FFCDHM CN(C)C1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237784520 1043356746 /nfs/dbraw/zinc/35/67/46/1043356746.db2.gz VHSCNPPOLRGOKM-UHFFFAOYSA-N -1 3 353.182 2.919 20 10 FFCDHM COc1ccc(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c([O-])c1Cl ZINC001279665882 1043430139 /nfs/dbraw/zinc/43/01/39/1043430139.db2.gz RYGBTSIHTIGFNH-RDJZCZTQSA-N -1 3 366.889 2.882 20 10 FFCDHM CC(C)(C)NC(=O)[C@@H]1CC12CN(Cc1cc(Br)ccc1[O-])C2 ZINC001279983327 1044034683 /nfs/dbraw/zinc/03/46/83/1044034683.db2.gz UIQXWHUEBMGLMN-ZDUSSCGKSA-N -1 3 367.287 2.891 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@H]2c2cccc(C)c2)c1[O-] ZINC000848951500 1055425438 /nfs/dbraw/zinc/42/54/38/1055425438.db2.gz XDMJELNXGJZTCV-GOSISDBHSA-N -1 3 356.397 2.715 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001353850363 1058288554 /nfs/dbraw/zinc/28/85/54/1058288554.db2.gz CCJVBYYODGVQQI-CQSZACIVSA-N -1 3 372.856 2.989 20 10 FFCDHM CC(C)(C)c1cnc(NC(=O)C(=O)NCc2c([O-])cccc2F)s1 ZINC001354551098 1059149682 /nfs/dbraw/zinc/14/96/82/1059149682.db2.gz PFNZDMIBDJGCQN-UHFFFAOYSA-N -1 3 351.403 2.540 20 10 FFCDHM COCC1=CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001520148712 1059428382 /nfs/dbraw/zinc/42/83/82/1059428382.db2.gz BETVAAOSDUOSSU-UHFFFAOYSA-N -1 3 357.439 2.580 20 10 FFCDHM CN(CCC(=O)NCc1c([O-])cccc1F)C(=O)OCc1ccccc1 ZINC001456031667 1059990112 /nfs/dbraw/zinc/99/01/12/1059990112.db2.gz ZEOSAKHDHUNBGK-UHFFFAOYSA-N -1 3 360.385 2.806 20 10 FFCDHM Cc1cc(Cl)c(S(=O)(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001475706508 1061221881 /nfs/dbraw/zinc/22/18/81/1061221881.db2.gz DKIHDEZVFOBWNF-UHFFFAOYSA-N -1 3 374.777 2.880 20 10 FFCDHM Cc1c(NCc2cc(F)c(F)cc2[O-])cccc1S(=O)(=O)N(C)C ZINC001462336672 1061588122 /nfs/dbraw/zinc/58/81/22/1061588122.db2.gz WSHWCLSHSXPKJR-UHFFFAOYSA-N -1 3 356.394 2.841 20 10 FFCDHM C[C@@](CO)(NC(=O)c1cccc(O)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001470274276 1064292277 /nfs/dbraw/zinc/29/22/77/1064292277.db2.gz FTFZJBUDRQLVFY-INIZCTEOSA-N -1 3 355.312 2.754 20 10 FFCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)N(C(=O)OC(C)(C)C)C1CC1 ZINC001471976463 1064876796 /nfs/dbraw/zinc/87/67/96/1064876796.db2.gz ZUCFGFHYDXHRQF-LLVKDONJSA-N -1 3 352.406 2.936 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2n[nH]cc2C(=O)NC2CC2)c1 ZINC001474296998 1065487996 /nfs/dbraw/zinc/48/79/96/1065487996.db2.gz WXFZIINGWKSQDM-UHFFFAOYSA-N -1 3 365.231 2.691 20 10 FFCDHM C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693471 1076291913 /nfs/dbraw/zinc/29/19/13/1076291913.db2.gz JDZKQBNGXPGGHP-DTWKUNHWSA-N -1 3 361.667 2.894 20 10 FFCDHM Cc1ccc(N2CCC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2=O)cc1 ZINC001564179235 1076613073 /nfs/dbraw/zinc/61/30/73/1076613073.db2.gz HGUBJDRRZHAKGM-QGZVFWFLSA-N -1 3 371.412 2.835 20 10 FFCDHM C[C@H]([NH2+][C@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955873 1080901983 /nfs/dbraw/zinc/90/19/83/1080901983.db2.gz NDYKXJQSJJUGDK-QFYYESIMSA-N -1 3 366.381 2.819 20 10 FFCDHM C[C@H]([NH2+][C@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955873 1080901987 /nfs/dbraw/zinc/90/19/87/1080901987.db2.gz NDYKXJQSJJUGDK-QFYYESIMSA-N -1 3 366.381 2.819 20 10 FFCDHM C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589969256 1080911323 /nfs/dbraw/zinc/91/13/23/1080911323.db2.gz BUSJWJSBZDZWDB-LBPRGKRZSA-N -1 3 353.426 2.651 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973613 1080914332 /nfs/dbraw/zinc/91/43/32/1080914332.db2.gz ILFBUIRTUQSEDJ-FRRDWIJNSA-N -1 3 373.457 2.733 20 10 FFCDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000080610359 508088268 /nfs/dbraw/zinc/08/82/68/508088268.db2.gz NRTVZWAJODYGOR-UHFFFAOYSA-N -1 3 360.433 2.511 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)CS(=O)(=O)CC ZINC000093413684 508144958 /nfs/dbraw/zinc/14/49/58/508144958.db2.gz RJSMPIHVKIQLSF-LLVKDONJSA-N -1 3 364.305 2.800 20 10 FFCDHM C[C@@H]1c2ccccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094123286 508169501 /nfs/dbraw/zinc/16/95/01/508169501.db2.gz TUSVCHZEWSYDKA-GFCCVEGCSA-N -1 3 360.435 2.523 20 10 FFCDHM CCCNC(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000125394224 508976510 /nfs/dbraw/zinc/97/65/10/508976510.db2.gz RQJNWHNHNWTWFY-UHFFFAOYSA-N -1 3 355.822 2.692 20 10 FFCDHM CC(C)S(=O)(=O)CCCN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000120475208 509004079 /nfs/dbraw/zinc/00/40/79/509004079.db2.gz QVRKZUBXUCQPJE-KRWDZBQOSA-N -1 3 355.500 2.587 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125788067 509029627 /nfs/dbraw/zinc/02/96/27/509029627.db2.gz ZHQRNVACAKVROQ-WBMJQRKESA-N -1 3 350.846 2.739 20 10 FFCDHM O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cccc(O)c1[O-] ZINC000185661897 509291199 /nfs/dbraw/zinc/29/11/99/509291199.db2.gz RWRMUBJCIOHDBJ-UHFFFAOYSA-N -1 3 359.769 2.774 20 10 FFCDHM COc1ccc(OC)c([C@H](C)NC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000264604570 509618949 /nfs/dbraw/zinc/61/89/49/509618949.db2.gz LEMAZCUAHIJVFM-AWEZNQCLSA-N -1 3 358.438 2.719 20 10 FFCDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Br)cc(C)c1[O-] ZINC000180255081 509836903 /nfs/dbraw/zinc/83/69/03/509836903.db2.gz YXQOCNSCSDQEEU-NSHDSACASA-N -1 3 364.305 2.718 20 10 FFCDHM Cc1nn(C)c(=O)c(-c2nc(CN(C)Cc3ccccc3[O-])cs2)c1C ZINC000177153973 509905404 /nfs/dbraw/zinc/90/54/04/509905404.db2.gz XSMVKFWZUMRAOB-UHFFFAOYSA-N -1 3 370.478 2.858 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000245720432 510105854 /nfs/dbraw/zinc/10/58/54/510105854.db2.gz DGUSYHMOSKYJFK-HIFRSBDPSA-N -1 3 372.259 2.543 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187694045 510390255 /nfs/dbraw/zinc/39/02/55/510390255.db2.gz NABXYNQFAGXHLV-WDEREUQCSA-N -1 3 370.421 2.990 20 10 FFCDHM C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191215373 510552887 /nfs/dbraw/zinc/55/28/87/510552887.db2.gz UEVLPBQHDRBSRC-LLVKDONJSA-N -1 3 370.421 2.772 20 10 FFCDHM CC[C@H](N[C@@H](C(N)=O)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000297428713 510942198 /nfs/dbraw/zinc/94/21/98/510942198.db2.gz VDBLPHQDMBGLBN-SWLSCSKDSA-N -1 3 364.243 2.817 20 10 FFCDHM C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000282418085 510969277 /nfs/dbraw/zinc/96/92/77/510969277.db2.gz CQKUJJFFWZDGCH-AWEZNQCLSA-N -1 3 351.443 2.839 20 10 FFCDHM COc1c([O-])c(CNCC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278539842 510997346 /nfs/dbraw/zinc/99/73/46/510997346.db2.gz WZVXNGLZBMPINX-UHFFFAOYSA-N -1 3 373.409 2.963 20 10 FFCDHM COc1cc(CC2CN(C(=O)c3ccc(C)c(O)c3[O-])C2)cc(OC)c1 ZINC000364707105 511033682 /nfs/dbraw/zinc/03/36/82/511033682.db2.gz PFHOMJSMPNFKJS-UHFFFAOYSA-N -1 3 357.406 2.738 20 10 FFCDHM CC[C@@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726584 511057196 /nfs/dbraw/zinc/05/71/96/511057196.db2.gz OXTAIHLPHVEURG-HUUCEWRRSA-N -1 3 362.861 2.934 20 10 FFCDHM COc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000290523244 511144479 /nfs/dbraw/zinc/14/44/79/511144479.db2.gz QDNLRJMLNGHXNT-CYBMUJFWSA-N -1 3 353.827 2.672 20 10 FFCDHM Cc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c([O-])c1O ZINC000292179332 511496089 /nfs/dbraw/zinc/49/60/89/511496089.db2.gz FGJHHAUJPFTLCR-LBPRGKRZSA-N -1 3 356.426 2.872 20 10 FFCDHM COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1[O-] ZINC000272594547 511501437 /nfs/dbraw/zinc/50/14/37/511501437.db2.gz JFBYKXDBOZXICX-UHFFFAOYSA-N -1 3 370.449 2.540 20 10 FFCDHM C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000273497633 511529103 /nfs/dbraw/zinc/52/91/03/511529103.db2.gz YAFGNWBEUDRHBR-NSHDSACASA-N -1 3 368.386 2.564 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])c1ncc([N+](=O)[O-])cn1 ZINC000302224390 511708535 /nfs/dbraw/zinc/70/85/35/511708535.db2.gz OBADNXDGLGQNTC-UHFFFAOYSA-N -1 3 353.176 2.879 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN([C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641014 511833572 /nfs/dbraw/zinc/83/35/72/511833572.db2.gz YCHOVOOLMTUUNR-ODCWNRFASA-N -1 3 371.474 2.759 20 10 FFCDHM CC(C)n1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000367968721 512745608 /nfs/dbraw/zinc/74/56/08/512745608.db2.gz RSDLUTHWTVNVJT-INIZCTEOSA-N -1 3 363.893 2.972 20 10 FFCDHM Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822105039 607285930 /nfs/dbraw/zinc/28/59/30/607285930.db2.gz TWJZQHQECBHDPO-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822105039 607285931 /nfs/dbraw/zinc/28/59/31/607285931.db2.gz TWJZQHQECBHDPO-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM Cc1cc(C(=O)Nc2ccncc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737445934 598426085 /nfs/dbraw/zinc/42/60/85/598426085.db2.gz LVKLINMZWJYEAT-UHFFFAOYSA-N -1 3 373.420 2.652 20 10 FFCDHM CCC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736304944 598622583 /nfs/dbraw/zinc/62/25/83/598622583.db2.gz SGDDDTUMCWVAAT-CYBMUJFWSA-N -1 3 367.409 2.799 20 10 FFCDHM COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737104916 598755965 /nfs/dbraw/zinc/75/59/65/598755965.db2.gz AZCCARNRLUZJDY-VIFPVBQESA-N -1 3 356.342 2.662 20 10 FFCDHM COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737104916 598755967 /nfs/dbraw/zinc/75/59/67/598755967.db2.gz AZCCARNRLUZJDY-VIFPVBQESA-N -1 3 356.342 2.662 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737106253 598782442 /nfs/dbraw/zinc/78/24/42/598782442.db2.gz QLAUXPHZIBSURP-VIFPVBQESA-N -1 3 372.360 2.603 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737106253 598782443 /nfs/dbraw/zinc/78/24/43/598782443.db2.gz QLAUXPHZIBSURP-VIFPVBQESA-N -1 3 372.360 2.603 20 10 FFCDHM Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233345 599572990 /nfs/dbraw/zinc/57/29/90/599572990.db2.gz DQVFXRIZWSEGEX-MAUKXSAKSA-N -1 3 362.437 2.899 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896943 605655290 /nfs/dbraw/zinc/65/52/90/605655290.db2.gz BRYMMHIUTKPBRL-MNOVXSKESA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896943 605655293 /nfs/dbraw/zinc/65/52/93/605655293.db2.gz BRYMMHIUTKPBRL-MNOVXSKESA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(C(=O)NC2(C3CC3)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168109 606761373 /nfs/dbraw/zinc/76/13/73/606761373.db2.gz LQKTZHFQGIWXGK-UHFFFAOYSA-N -1 3 362.437 2.947 20 10 FFCDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)SC(=S)N1c1cccnc1 ZINC000826476833 607883902 /nfs/dbraw/zinc/88/39/02/607883902.db2.gz QAIGBGDTJYJBMD-MDWZMJQESA-N -1 3 366.431 2.668 20 10 FFCDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)SC(=S)N1c1cccnc1 ZINC000826476833 607883903 /nfs/dbraw/zinc/88/39/03/607883903.db2.gz QAIGBGDTJYJBMD-MDWZMJQESA-N -1 3 366.431 2.668 20 10 FFCDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)SC(=S)N1c1cccnc1 ZINC000826476832 607883969 /nfs/dbraw/zinc/88/39/69/607883969.db2.gz QAIGBGDTJYJBMD-JYRVWZFOSA-N -1 3 366.431 2.668 20 10 FFCDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)SC(=S)N1c1cccnc1 ZINC000826476832 607883970 /nfs/dbraw/zinc/88/39/70/607883970.db2.gz QAIGBGDTJYJBMD-JYRVWZFOSA-N -1 3 366.431 2.668 20 10 FFCDHM CCOC(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000153951594 728792252 /nfs/dbraw/zinc/79/22/52/728792252.db2.gz NLRGEPUMYQIZAJ-ZDUSSCGKSA-N -1 3 357.248 2.865 20 10 FFCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)cc1 ZINC000093905355 728478280 /nfs/dbraw/zinc/47/82/80/728478280.db2.gz FWBWJZUOFAAEGS-INIZCTEOSA-N -1 3 362.451 2.953 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CN2CCOCC2)c1[O-] ZINC000177283416 729133359 /nfs/dbraw/zinc/13/33/59/729133359.db2.gz DKTGYXICBWCNQG-KRWDZBQOSA-N -1 3 366.889 2.935 20 10 FFCDHM C[C@H](NCc1cc(C(N)=O)co1)c1cc(Br)c(F)cc1[O-] ZINC000779069596 738433814 /nfs/dbraw/zinc/43/38/14/738433814.db2.gz WAQDECXRZCPVQT-ZETCQYMHSA-N -1 3 357.179 2.837 20 10 FFCDHM Cc1cc(Br)cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)c1[O-] ZINC000779432663 738463773 /nfs/dbraw/zinc/46/37/73/738463773.db2.gz YYPYEMDSVDKDMZ-UHFFFAOYSA-N -1 3 352.236 2.535 20 10 FFCDHM Cc1cc(CN2CCN(Cc3c([O-])cccc3Br)CC2)no1 ZINC000862214190 730676644 /nfs/dbraw/zinc/67/66/44/730676644.db2.gz JFXRCEBFZOKBKL-UHFFFAOYSA-N -1 3 366.259 2.769 20 10 FFCDHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000872436238 731767081 /nfs/dbraw/zinc/76/70/81/731767081.db2.gz WFVSSEMOMFWSJD-HSZRJFAPSA-N -1 3 373.544 2.518 20 10 FFCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000882967551 733316225 /nfs/dbraw/zinc/31/62/25/733316225.db2.gz KPKKQYQKCPSHMF-NSHDSACASA-N -1 3 370.421 2.772 20 10 FFCDHM C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886607097 733808555 /nfs/dbraw/zinc/80/85/55/733808555.db2.gz LDJLWIWESHHBET-AWEZNQCLSA-N -1 3 351.443 2.839 20 10 FFCDHM CC(=O)NC[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893865139 734764031 /nfs/dbraw/zinc/76/40/31/734764031.db2.gz HYKBRJLCLBGKQZ-LLVKDONJSA-N -1 3 359.239 2.642 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(Cn2cncn2)CC1 ZINC000894492939 734868189 /nfs/dbraw/zinc/86/81/89/734868189.db2.gz GGISKOVJTPGIRQ-UHFFFAOYSA-N -1 3 369.238 2.798 20 10 FFCDHM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895864528 735066560 /nfs/dbraw/zinc/06/65/60/735066560.db2.gz PBVINXWJVLCVRY-UONOGXRCSA-N -1 3 372.259 2.745 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCNC(=O)CC23CCC3)c1 ZINC000895926678 735074587 /nfs/dbraw/zinc/07/45/87/735074587.db2.gz BQOWDNJXDFANNH-UHFFFAOYSA-N -1 3 353.260 2.708 20 10 FFCDHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)n1cc(Br)cn1 ZINC000928706880 738897614 /nfs/dbraw/zinc/89/76/14/738897614.db2.gz YFHXREJGWJNDQI-VIFPVBQESA-N -1 3 356.195 2.758 20 10 FFCDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000769746279 737560840 /nfs/dbraw/zinc/56/08/40/737560840.db2.gz INVCUBXKIAXMGM-OAHLLOKOSA-N -1 3 354.472 2.852 20 10 FFCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1F ZINC000776747490 738228931 /nfs/dbraw/zinc/22/89/31/738228931.db2.gz FEHUUTMNEPVVQD-UHFFFAOYSA-N -1 3 353.371 2.817 20 10 FFCDHM C[C@H]1OCC[C@]12CN(Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930626 739515057 /nfs/dbraw/zinc/51/50/57/739515057.db2.gz BETHSBFCZJFEBG-HSMVNMDESA-N -1 3 356.260 2.923 20 10 FFCDHM CCCN(Cc1cc(Br)ccc1[O-])[C@H](COC)C(=O)OCC ZINC000792185993 739648682 /nfs/dbraw/zinc/64/86/82/739648682.db2.gz NKNYDZRHMBLKIO-CQSZACIVSA-N -1 3 374.275 2.945 20 10 FFCDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000793364251 739773979 /nfs/dbraw/zinc/77/39/79/739773979.db2.gz BCDQLFUTWYZGET-INIZCTEOSA-N -1 3 356.260 2.925 20 10 FFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)c1ccccc1 ZINC000803620300 740814284 /nfs/dbraw/zinc/81/42/84/740814284.db2.gz YGUPZVVFBLWSNF-UHFFFAOYSA-N -1 3 362.451 2.771 20 10 FFCDHM Cc1cc(CN2CCN(Cc3ccc(Br)cc3[O-])CC2)no1 ZINC000824535746 743101065 /nfs/dbraw/zinc/10/10/65/743101065.db2.gz WPEFNGRCMFKMAG-UHFFFAOYSA-N -1 3 366.259 2.769 20 10 FFCDHM CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000824627675 743118830 /nfs/dbraw/zinc/11/88/30/743118830.db2.gz SAPOUDLCLFOLHQ-CQSZACIVSA-N -1 3 355.276 2.988 20 10 FFCDHM CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825692816 743312231 /nfs/dbraw/zinc/31/22/31/743312231.db2.gz OFHKMEQLVUKCME-FYSMJZIKSA-N -1 3 367.902 2.876 20 10 FFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@@H](C2CCC2)C1 ZINC000826121793 743368905 /nfs/dbraw/zinc/36/89/05/743368905.db2.gz UXEIEKKISLEHDV-CQSZACIVSA-N -1 3 374.300 2.554 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCCCC2)N(C)C)cc1 ZINC001604083473 972481283 /nfs/dbraw/zinc/48/12/83/972481283.db2.gz LZYFOVNNZJFPTR-KRWDZBQOSA-N -1 3 361.486 2.507 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000891023624 961623322 /nfs/dbraw/zinc/62/33/22/961623322.db2.gz LCFGHWBNXHEFLN-LJQANCHMSA-N -1 3 362.426 2.713 20 10 FFCDHM Cc1ncsc1CN1CC2(C1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107351 962329307 /nfs/dbraw/zinc/32/93/07/962329307.db2.gz OGDIGSRNQBDEPQ-UHFFFAOYSA-N -1 3 351.422 2.753 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206245311 1013439326 /nfs/dbraw/zinc/43/93/26/1013439326.db2.gz SSKLUUCZJNUYEL-LBPRGKRZSA-N -1 3 353.182 2.929 20 10 FFCDHM CCOC(=O)c1nc([C@H](C)NCc2ccc(N(CC)CC)c(F)c2)n[n-]1 ZINC000895235908 968621678 /nfs/dbraw/zinc/62/16/78/968621678.db2.gz OUALQTOHARZOIP-LBPRGKRZSA-N -1 3 363.437 2.818 20 10 FFCDHM CC(C)C[C@@H](CC(=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899855228 977366948 /nfs/dbraw/zinc/36/69/48/977366948.db2.gz UXDCINHCTXVXBF-FUHWJXTLSA-N -1 3 363.502 2.609 20 10 FFCDHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000825492690 997396787 /nfs/dbraw/zinc/39/67/87/997396787.db2.gz FDAZWTNWKUTKRA-UHFFFAOYSA-N -1 3 372.440 2.599 20 10 FFCDHM COc1ccc(N(C)CCN(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000845001544 998279952 /nfs/dbraw/zinc/27/99/52/998279952.db2.gz GFKIHBFIUGWOTI-UHFFFAOYSA-N -1 3 361.417 2.818 20 10 FFCDHM O=C1CN(Cc2c([O-])ccc3ccncc32)CCN1Cc1cccc(F)c1 ZINC000742155501 999762563 /nfs/dbraw/zinc/76/25/63/999762563.db2.gz JXMJZKRVPCTYQR-UHFFFAOYSA-N -1 3 365.408 2.924 20 10 FFCDHM C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148212079 1001067960 /nfs/dbraw/zinc/06/79/60/1001067960.db2.gz LAFITHYGFCUWFW-OLZOCXBDSA-N -1 3 364.442 2.863 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001148218804 1001071014 /nfs/dbraw/zinc/07/10/14/1001071014.db2.gz LQUHMHRRYCFZLS-UHFFFAOYSA-N -1 3 371.364 2.877 20 10 FFCDHM COc1cccc(CC2(CNC(=O)c3cccc(O)c3[O-])CCOCC2)c1 ZINC001148223945 1001074693 /nfs/dbraw/zinc/07/46/93/1001074693.db2.gz AODWRNNNEQMIBX-UHFFFAOYSA-N -1 3 371.433 2.876 20 10 FFCDHM C[C@H]1CN(Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2)C[C@H](C)O1 ZINC000790755995 1002472915 /nfs/dbraw/zinc/47/29/15/1002472915.db2.gz NUVAJKJEBWHALS-KBPBESRZSA-N -1 3 356.422 2.959 20 10 FFCDHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cccc(O)c1[O-] ZINC000790932513 1002514765 /nfs/dbraw/zinc/51/47/65/1002514765.db2.gz ZPBUPCFDNBDJNI-PBHICJAKSA-N -1 3 369.417 2.879 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccc(C)c(C)c1 ZINC000805605097 1004056871 /nfs/dbraw/zinc/05/68/71/1004056871.db2.gz JDJYGVVKNGZFRS-UHFFFAOYSA-N -1 3 352.394 2.869 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000805605097 1004056880 /nfs/dbraw/zinc/05/68/80/1004056880.db2.gz JDJYGVVKNGZFRS-UHFFFAOYSA-N -1 3 352.394 2.869 20 10 FFCDHM O=S(=O)([N-]Cc1cc(Cl)ccc1O)c1ccc(Cl)c2nonc21 ZINC001192213671 1004094483 /nfs/dbraw/zinc/09/44/83/1004094483.db2.gz CKSOVLIQYUTYGK-UHFFFAOYSA-N -1 3 374.205 2.714 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776255314 1005322726 /nfs/dbraw/zinc/32/27/26/1005322726.db2.gz DNYYWTHYQCDAQB-UHFFFAOYSA-N -1 3 370.379 2.621 20 10 FFCDHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(O)c2[O-])cc1C ZINC000776643369 1006288652 /nfs/dbraw/zinc/28/86/52/1006288652.db2.gz DDCRWROSXPQHQV-HNNXBMFYSA-N -1 3 372.446 2.868 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@](N)(C(F)(F)F)C2)c(Br)c1 ZINC001206244762 1032197943 /nfs/dbraw/zinc/19/79/43/1032197943.db2.gz NJVVQLKHFKWLDW-GFCCVEGCSA-N -1 3 369.181 2.629 20 10 FFCDHM CC1(C)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000134991008 1007471634 /nfs/dbraw/zinc/47/16/34/1007471634.db2.gz PQRMGWVHSZOPJJ-MRXNPFEDSA-N -1 3 374.462 2.916 20 10 FFCDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c([O-])c1 ZINC000775406550 1007754364 /nfs/dbraw/zinc/75/43/64/1007754364.db2.gz YBMDXCJSRUCTJD-OAHLLOKOSA-N -1 3 369.465 2.764 20 10 FFCDHM COCCN1[C@H](C)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC001171532405 1011353589 /nfs/dbraw/zinc/35/35/89/1011353589.db2.gz APIJKDUWZQOYDF-BETUJISGSA-N -1 3 354.878 2.789 20 10 FFCDHM O=C(CCc1ccccc1N1CCOCC1)NCc1c([O-])cccc1F ZINC000928706372 1019083293 /nfs/dbraw/zinc/08/32/93/1019083293.db2.gz REBIMKTXMPMIGR-UHFFFAOYSA-N -1 3 358.413 2.617 20 10 FFCDHM O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCc1c([O-])cccc1F ZINC000928707364 1019085174 /nfs/dbraw/zinc/08/51/74/1019085174.db2.gz DAAJYOPZOBRONK-UHFFFAOYSA-N -1 3 373.380 2.972 20 10 FFCDHM C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903400406 1020822574 /nfs/dbraw/zinc/82/25/74/1020822574.db2.gz UPJZZWSPKGPNMT-MNOVXSKESA-N -1 3 368.359 2.836 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001121556556 1023847292 /nfs/dbraw/zinc/84/72/92/1023847292.db2.gz FKQNOJWPYHDJRQ-WDEREUQCSA-N -1 3 373.507 2.987 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001137835386 1033172803 /nfs/dbraw/zinc/17/28/03/1033172803.db2.gz GGYJQMCZINMBQT-POZUXBRTSA-N -1 3 358.413 2.985 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001137835385 1033173802 /nfs/dbraw/zinc/17/38/02/1033173802.db2.gz GGYJQMCZINMBQT-LSBZLQRGSA-N -1 3 358.413 2.985 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001137839646 1033182873 /nfs/dbraw/zinc/18/28/73/1033182873.db2.gz GEFHPTDMWYYENI-UHFFFAOYSA-N -1 3 356.323 2.662 20 10 FFCDHM Cc1cc(C)cc(OCC(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c1 ZINC000779609059 1024264703 /nfs/dbraw/zinc/26/47/03/1024264703.db2.gz OTABTEDYFNYSGT-UHFFFAOYSA-N -1 3 372.440 2.871 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](CO)[C@@H]1C ZINC001122036619 1024279403 /nfs/dbraw/zinc/27/94/03/1024279403.db2.gz TZCOBTMZBJWPBI-RYUDHWBXSA-N -1 3 373.482 2.878 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccn2ncnc2c1 ZINC001155588806 1028803494 /nfs/dbraw/zinc/80/34/94/1028803494.db2.gz AMACNEZECPPSEH-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM Cc1cccn2c(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])nnc12 ZINC001156356593 1029162048 /nfs/dbraw/zinc/16/20/48/1029162048.db2.gz SUHWOAJKKAIHMA-UHFFFAOYSA-N -1 3 367.796 2.875 20 10 FFCDHM Cc1noc([C@H]2C[C@@H]3CCN(Cc4cc(F)c(F)cc4[O-])C[C@H]3O2)n1 ZINC001142512924 1030561705 /nfs/dbraw/zinc/56/17/05/1030561705.db2.gz PXCIIXJCFSCHPZ-AMKSKSKJSA-N -1 3 351.353 2.714 20 10 FFCDHM CCOC(=O)c1nc2c(s1)CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512761 1030563115 /nfs/dbraw/zinc/56/31/15/1030563115.db2.gz KBMMBUKEAJUSKZ-UHFFFAOYSA-N -1 3 368.405 2.904 20 10 FFCDHM Cc1noc([C@]23COC[C@H]2CN(Cc2cc(Cl)cc(Cl)c2[O-])C3)n1 ZINC001203575256 1030769050 /nfs/dbraw/zinc/76/90/50/1030769050.db2.gz HZCHJDVWZXCSSQ-BDJLRTHQSA-N -1 3 370.236 2.790 20 10 FFCDHM CCCCN1C[C@@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968155 1033866685 /nfs/dbraw/zinc/86/66/85/1033866685.db2.gz YJMPZMLBJSMQGC-SFHVURJKSA-N -1 3 370.852 2.788 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2cc(CO)ccc2C1 ZINC001139126739 1034956657 /nfs/dbraw/zinc/95/66/57/1034956657.db2.gz ONRXVRIHROEYQN-UHFFFAOYSA-N -1 3 351.402 2.858 20 10 FFCDHM COC[C@@H]1CN(Cc2c([O-])cccc2Br)Cc2ncn(C)c21 ZINC001140099707 1035341589 /nfs/dbraw/zinc/34/15/89/1035341589.db2.gz QQTZKASHJVNFRR-NSHDSACASA-N -1 3 366.259 2.634 20 10 FFCDHM COC[C@H]1CN(Cc2c([O-])cccc2Br)Cc2cn(C)nc21 ZINC001140100503 1035342246 /nfs/dbraw/zinc/34/22/46/1035342246.db2.gz RSWFHPWSHZYOMB-GFCCVEGCSA-N -1 3 366.259 2.634 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001140339262 1035443987 /nfs/dbraw/zinc/44/39/87/1035443987.db2.gz HAWCJNQRHNFYLF-UHFFFAOYSA-N -1 3 357.845 2.893 20 10 FFCDHM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3c([O-])cccc3Cl)[C@@H]2C1 ZINC001140345707 1035447012 /nfs/dbraw/zinc/44/70/12/1035447012.db2.gz YICMMPABXUIUEC-XGWLTEMNSA-N -1 3 352.862 2.550 20 10 FFCDHM CCn1cc2c(n1)CN(Cc1cc(Cl)c([O-])cc1O)C[C@H]2COC ZINC001232257967 1035528902 /nfs/dbraw/zinc/52/89/02/1035528902.db2.gz OBZSWISJNPXRPE-LBPRGKRZSA-N -1 3 351.834 2.713 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2ncn(C)c21 ZINC001232258017 1035529349 /nfs/dbraw/zinc/52/93/49/1035529349.db2.gz PCDFHOBCMHONQW-LBPRGKRZSA-N -1 3 351.834 2.621 20 10 FFCDHM CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CCN(Cc1cccc(Cl)c1[O-])CC2 ZINC001277232530 1035681415 /nfs/dbraw/zinc/68/14/15/1035681415.db2.gz SNHPJSQJOILWMP-WFASDCNBSA-N -1 3 364.873 2.741 20 10 FFCDHM CN(Cc1ccc(F)c(F)c1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233074188 1036319867 /nfs/dbraw/zinc/31/98/67/1036319867.db2.gz KPSTYIMDECVNMZ-CYBMUJFWSA-N -1 3 372.412 2.738 20 10 FFCDHM COc1cc([O-])c(CN(C)Cc2cc(C)nn2C)cc1Br ZINC001233139699 1036387570 /nfs/dbraw/zinc/38/75/70/1036387570.db2.gz PITJXZLXPGURNH-UHFFFAOYSA-N -1 3 354.248 2.837 20 10 FFCDHM CCOC(=O)[C@@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)C1CC1 ZINC001229192611 1036542881 /nfs/dbraw/zinc/54/28/81/1036542881.db2.gz QHRFVUSAKWMKOS-FQEVSTJZSA-N -1 3 366.369 2.888 20 10 FFCDHM Cn1cc([C@H](NC(=O)NCc2c([O-])cccc2F)c2ccc(F)cc2)cn1 ZINC001234599747 1037106231 /nfs/dbraw/zinc/10/62/31/1037106231.db2.gz UEFBBLKSTGNPJC-GOSISDBHSA-N -1 3 372.375 2.993 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@@H]21 ZINC001235074086 1037341638 /nfs/dbraw/zinc/34/16/38/1037341638.db2.gz DTTUGOHLJVBAGM-YGRLFVJLSA-N -1 3 371.250 2.737 20 10 FFCDHM CCOCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277508511 1037543855 /nfs/dbraw/zinc/54/38/55/1037543855.db2.gz XQRVZBSPRMIRKM-HZPDHXFCSA-N -1 3 370.852 2.787 20 10 FFCDHM COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231453798 1037594515 /nfs/dbraw/zinc/59/45/15/1037594515.db2.gz PRWHDPACEBAFDI-HNNXBMFYSA-N -1 3 358.394 2.537 20 10 FFCDHM COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231453798 1037594521 /nfs/dbraw/zinc/59/45/21/1037594521.db2.gz PRWHDPACEBAFDI-HNNXBMFYSA-N -1 3 358.394 2.537 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3nccc4occc43)CC2)c1 ZINC001231563967 1037687382 /nfs/dbraw/zinc/68/73/82/1037687382.db2.gz HAIZCPFVQTYTKW-UHFFFAOYSA-N -1 3 353.378 2.554 20 10 FFCDHM O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccc(Cl)c2[O-])O1)N1CCCC1 ZINC001231911668 1038008995 /nfs/dbraw/zinc/00/89/95/1038008995.db2.gz ORUZKUNROJJCSS-ZACQAIPSSA-N -1 3 364.873 2.790 20 10 FFCDHM CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001276605855 1038622318 /nfs/dbraw/zinc/62/23/18/1038622318.db2.gz PUUKIXFCOQPCOP-MRXNPFEDSA-N -1 3 360.454 2.609 20 10 FFCDHM O=[N+]([O-])c1cc(-c2nc3cc(F)c(-n4ccnc4)cc3[nH]2)cc(O)c1[O-] ZINC001251027103 1038902465 /nfs/dbraw/zinc/90/24/65/1038902465.db2.gz ICXKVJYVJVDDAU-UHFFFAOYSA-N -1 3 355.285 2.874 20 10 FFCDHM COc1ccc(-c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)cc1 ZINC001252036398 1039413369 /nfs/dbraw/zinc/41/33/69/1039413369.db2.gz HXRYDMAQKLJWEJ-UHFFFAOYSA-N -1 3 367.405 2.950 20 10 FFCDHM COC(=O)[C@@H]1CN(C)CCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248884768 1040493629 /nfs/dbraw/zinc/49/36/29/1040493629.db2.gz CFBZJBXIRFYNNF-HNNXBMFYSA-N -1 3 354.878 2.632 20 10 FFCDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)c(O)cc3C)ccc21 ZINC001260796661 1040805289 /nfs/dbraw/zinc/80/52/89/1040805289.db2.gz CJUVTWBCZIWELC-UHFFFAOYSA-N -1 3 360.435 2.719 20 10 FFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1O ZINC001260981917 1040908568 /nfs/dbraw/zinc/90/85/68/1040908568.db2.gz KZOXNDAJDOBKNN-UHFFFAOYSA-N -1 3 361.419 2.858 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001278565893 1041191784 /nfs/dbraw/zinc/19/17/84/1041191784.db2.gz VOXFIWQITBQUPF-UHFFFAOYSA-N -1 3 362.271 2.801 20 10 FFCDHM COC1(CC(=O)N2CCC23CN(Cc2cc(Cl)ccc2[O-])C3)CCC1 ZINC001278567043 1041196724 /nfs/dbraw/zinc/19/67/24/1041196724.db2.gz PYJLDDMKQLVNDL-UHFFFAOYSA-N -1 3 364.873 2.792 20 10 FFCDHM Cc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc(Cl)c1[O-] ZINC001216087217 1041949031 /nfs/dbraw/zinc/94/90/31/1041949031.db2.gz AKLKYSPCOIXFHL-UHFFFAOYSA-N -1 3 354.859 2.945 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001279421887 1043094047 /nfs/dbraw/zinc/09/40/47/1043094047.db2.gz RIRXGFCNKBXCOJ-IYBDPMFKSA-N -1 3 357.429 2.667 20 10 FFCDHM [O-]c1c(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cccc1C(F)(F)F ZINC001279504901 1043199045 /nfs/dbraw/zinc/19/90/45/1043199045.db2.gz MWLGTYUKPSLWQE-GASCZTMLSA-N -1 3 366.387 2.983 20 10 FFCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001279683881 1043463903 /nfs/dbraw/zinc/46/39/03/1043463903.db2.gz KSHGXFYKXCJYQO-OKILXGFUSA-N -1 3 365.836 2.598 20 10 FFCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001279684796 1043465730 /nfs/dbraw/zinc/46/57/30/1043465730.db2.gz UEYDSMNCUPBULJ-BETUJISGSA-N -1 3 350.825 2.757 20 10 FFCDHM COc1ccc(Cn2cc(NC(=O)c3ccc(C)c(O)c3[O-])cn2)cc1 ZINC001323679410 1045681912 /nfs/dbraw/zinc/68/19/12/1045681912.db2.gz OQIUJIJRXUOYOX-UHFFFAOYSA-N -1 3 353.378 2.912 20 10 FFCDHM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001329382858 1048695857 /nfs/dbraw/zinc/69/58/57/1048695857.db2.gz ITBPGTZGKMYCSK-CYBMUJFWSA-N -1 3 361.398 2.759 20 10 FFCDHM COC[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001340211115 1050619614 /nfs/dbraw/zinc/61/96/14/1050619614.db2.gz VTQXZTCCPMKSRQ-LLVKDONJSA-N -1 3 359.455 2.660 20 10 FFCDHM COC(=O)c1cnc([C@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)s1 ZINC001308962437 1052526957 /nfs/dbraw/zinc/52/69/57/1052526957.db2.gz JGZMMOLDSGJBMX-VIFPVBQESA-N -1 3 354.378 2.903 20 10 FFCDHM CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001337065044 1054452251 /nfs/dbraw/zinc/45/22/51/1054452251.db2.gz URYDWIZPMAXBAG-GFCCVEGCSA-N -1 3 360.385 2.964 20 10 FFCDHM CCOC(=O)C1(CC(F)F)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001337523915 1054814444 /nfs/dbraw/zinc/81/44/44/1054814444.db2.gz YISWYHWAXVBDOO-UHFFFAOYSA-N -1 3 357.353 2.539 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001455356041 1059768717 /nfs/dbraw/zinc/76/87/17/1059768717.db2.gz QRTKJPCLYVFKBH-UHFFFAOYSA-N -1 3 364.453 2.702 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001455356041 1059768733 /nfs/dbraw/zinc/76/87/33/1059768733.db2.gz QRTKJPCLYVFKBH-UHFFFAOYSA-N -1 3 364.453 2.702 20 10 FFCDHM Cc1cc([O-])c(CN2CCNN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001579638284 1078652588 /nfs/dbraw/zinc/65/25/88/1078652588.db2.gz USKQGFSVFNXBGF-UHFFFAOYSA-N -1 3 355.866 2.911 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001581133600 1078922302 /nfs/dbraw/zinc/92/23/02/1078922302.db2.gz FBMLOXDCJSCEJN-UHFFFAOYSA-N -1 3 363.421 2.690 20 10 FFCDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001581133600 1078922309 /nfs/dbraw/zinc/92/23/09/1078922309.db2.gz FBMLOXDCJSCEJN-UHFFFAOYSA-N -1 3 363.421 2.690 20 10 FFCDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1O ZINC001589937376 1080880924 /nfs/dbraw/zinc/88/09/24/1080880924.db2.gz PUXPIMZUDOWFBN-NWDGAFQWSA-N -1 3 352.398 2.694 20 10 FFCDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1O ZINC001589937376 1080880931 /nfs/dbraw/zinc/88/09/31/1080880931.db2.gz PUXPIMZUDOWFBN-NWDGAFQWSA-N -1 3 352.398 2.694 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCCOC1 ZINC000074132117 507990040 /nfs/dbraw/zinc/99/00/40/507990040.db2.gz QUPUHPZRZGBMKB-ZDUSSCGKSA-N -1 3 357.248 2.865 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000093926891 508161338 /nfs/dbraw/zinc/16/13/38/508161338.db2.gz FOWNJAVRPAFLNX-UHFFFAOYSA-N -1 3 366.464 2.630 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N3CCCNC3=O)CC2)c1[O-] ZINC000135447909 508606160 /nfs/dbraw/zinc/60/61/60/508606160.db2.gz DIUVSKDSXQQHGQ-UHFFFAOYSA-N -1 3 365.861 2.628 20 10 FFCDHM CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185971195 509457630 /nfs/dbraw/zinc/45/76/30/509457630.db2.gz UTEXXHDQJPYGBA-VIFPVBQESA-N -1 3 355.287 2.677 20 10 FFCDHM CCS[C@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000264927725 509779669 /nfs/dbraw/zinc/77/96/69/509779669.db2.gz NZECHMAXXPGHKN-ZDUSSCGKSA-N -1 3 372.512 2.512 20 10 FFCDHM Cc1cc(Br)cc(CN2CCOC3(CCOCC3)C2)c1[O-] ZINC000180698964 510060551 /nfs/dbraw/zinc/06/05/51/510060551.db2.gz KHHDXAZKYSBUIF-UHFFFAOYSA-N -1 3 356.260 2.845 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000245720440 510105160 /nfs/dbraw/zinc/10/51/60/510105160.db2.gz DGUSYHMOSKYJFK-UKRRQHHQSA-N -1 3 372.259 2.543 20 10 FFCDHM COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187671302 510379371 /nfs/dbraw/zinc/37/93/71/510379371.db2.gz RWCLMBIATPYBMA-NSHDSACASA-N -1 3 350.365 2.646 20 10 FFCDHM COc1cc(Cl)cc(CN2CCN(Cc3cc(C)on3)CC2)c1[O-] ZINC000184675376 510454505 /nfs/dbraw/zinc/45/45/05/510454505.db2.gz KMPRNQRXDJSRRW-UHFFFAOYSA-N -1 3 351.834 2.668 20 10 FFCDHM COc1cc(Cl)cc(CN2CCN(c3nc(C)ns3)CC2)c1[O-] ZINC000184698848 510469595 /nfs/dbraw/zinc/46/95/95/510469595.db2.gz WLACTBJNYOKVPB-UHFFFAOYSA-N -1 3 354.863 2.536 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H](C)COC ZINC000175098839 510481554 /nfs/dbraw/zinc/48/15/54/510481554.db2.gz UMRHTJWYOFMQOZ-NSHDSACASA-N -1 3 359.264 2.969 20 10 FFCDHM C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000184964661 510606805 /nfs/dbraw/zinc/60/68/05/510606805.db2.gz YOURBXNGXHSJNH-LBPRGKRZSA-N -1 3 352.431 2.632 20 10 FFCDHM C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000188212128 510651348 /nfs/dbraw/zinc/65/13/48/510651348.db2.gz WIEYTHIKHOTYJC-OKILXGFUSA-N -1 3 356.422 2.959 20 10 FFCDHM COC[C@@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277324642 510960929 /nfs/dbraw/zinc/96/09/29/510960929.db2.gz MJLAHZLYCPHQRP-ZDUSSCGKSA-N -1 3 364.785 2.791 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(C3OCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278944622 511014233 /nfs/dbraw/zinc/01/42/33/511014233.db2.gz YJZFTGXBCXQYCS-UHFFFAOYSA-N -1 3 360.366 2.644 20 10 FFCDHM Cc1cc(Br)cc(CN2CCO[C@]3(CCCOC3)C2)c1[O-] ZINC000289513935 511102815 /nfs/dbraw/zinc/10/28/15/511102815.db2.gz OWEYJZLQFDGLSB-MRXNPFEDSA-N -1 3 356.260 2.845 20 10 FFCDHM COc1cc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)ccc1F ZINC000283729807 511478225 /nfs/dbraw/zinc/47/82/25/511478225.db2.gz XCCGQGRPPJSGIQ-UHFFFAOYSA-N -1 3 360.385 2.516 20 10 FFCDHM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272862214 511511108 /nfs/dbraw/zinc/51/11/08/511511108.db2.gz UXYXJFKZXJVARU-HNNXBMFYSA-N -1 3 372.446 2.868 20 10 FFCDHM C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432644 511526070 /nfs/dbraw/zinc/52/60/70/511526070.db2.gz WDXNGVLBXDVOLR-CYBMUJFWSA-N -1 3 373.409 2.618 20 10 FFCDHM C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454177 511526292 /nfs/dbraw/zinc/52/62/92/511526292.db2.gz GTRQYOLDWDGMNW-JOYOIKCWSA-N -1 3 361.320 2.504 20 10 FFCDHM C[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446052 511526523 /nfs/dbraw/zinc/52/65/23/511526523.db2.gz ZWRCQMPTYHQPRA-ZIAGYGMSSA-N -1 3 372.425 2.771 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000273536062 511531174 /nfs/dbraw/zinc/53/11/74/511531174.db2.gz XKJKFECOKREHBI-ZUZCIYMTSA-N -1 3 351.349 2.841 20 10 FFCDHM C[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570667 511537950 /nfs/dbraw/zinc/53/79/50/511537950.db2.gz KQJSBWCDWBCGAU-CXAGYDPISA-N -1 3 357.410 2.651 20 10 FFCDHM CCc1nc(C)c(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)o1 ZINC000292626744 511665555 /nfs/dbraw/zinc/66/55/55/511665555.db2.gz YNULOTAZEOTYCN-UHFFFAOYSA-N -1 3 363.801 2.869 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000296510646 511774376 /nfs/dbraw/zinc/77/43/76/511774376.db2.gz PMOVRIZMQPSQKF-JBEBIEQOSA-N -1 3 353.484 2.538 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000281256952 511776729 /nfs/dbraw/zinc/77/67/29/511776729.db2.gz QNWXVANQFVKAKQ-NWDGAFQWSA-N -1 3 367.829 2.553 20 10 FFCDHM O=C1[C@H](NCc2cc(Cl)c(F)cc2[O-])CCCN1CC(F)(F)F ZINC000293721195 512062724 /nfs/dbraw/zinc/06/27/24/512062724.db2.gz VOFWVGPXPWCNAS-LLVKDONJSA-N -1 3 354.731 2.828 20 10 FFCDHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000372281912 512794196 /nfs/dbraw/zinc/79/41/96/512794196.db2.gz KRJQBLSZXLXZPD-UONOGXRCSA-N -1 3 357.834 2.597 20 10 FFCDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCCSc1nccs1 ZINC000737853257 598911913 /nfs/dbraw/zinc/91/19/13/598911913.db2.gz RUZQOOBEEQCSOY-UHFFFAOYSA-N -1 3 374.495 2.554 20 10 FFCDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCCSc1nccs1 ZINC000737853257 598911914 /nfs/dbraw/zinc/91/19/14/598911914.db2.gz RUZQOOBEEQCSOY-UHFFFAOYSA-N -1 3 374.495 2.554 20 10 FFCDHM COCCCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736981485 598727538 /nfs/dbraw/zinc/72/75/38/598727538.db2.gz LHCBKZVWMPQGGL-UHFFFAOYSA-N -1 3 369.425 2.858 20 10 FFCDHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(N2CCOCC2)cc1 ZINC000825501104 603540567 /nfs/dbraw/zinc/54/05/67/603540567.db2.gz BRJVFOKNYQGQBE-CQSZACIVSA-N -1 3 356.426 2.859 20 10 FFCDHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717476 604287344 /nfs/dbraw/zinc/28/73/44/604287344.db2.gz ILXGFUSGTDETOJ-KGLIPLIRSA-N -1 3 367.877 2.970 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822206233 606359627 /nfs/dbraw/zinc/35/96/27/606359627.db2.gz ZFBWVIDWBHYNDY-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822206233 606359629 /nfs/dbraw/zinc/35/96/29/606359629.db2.gz ZFBWVIDWBHYNDY-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM COc1ccc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821827485 606912523 /nfs/dbraw/zinc/91/25/23/606912523.db2.gz CPXWQKOAOKJYOP-HNNXBMFYSA-N -1 3 359.817 2.699 20 10 FFCDHM COc1ccc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821827485 606912525 /nfs/dbraw/zinc/91/25/25/606912525.db2.gz CPXWQKOAOKJYOP-HNNXBMFYSA-N -1 3 359.817 2.699 20 10 FFCDHM CCOc1ccc(N(C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000825639527 607923523 /nfs/dbraw/zinc/92/35/23/607923523.db2.gz YWNOJVNLYKXPLL-UHFFFAOYSA-N -1 3 367.409 2.688 20 10 FFCDHM CCOc1ccc(N(C)Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000825639527 607923524 /nfs/dbraw/zinc/92/35/24/607923524.db2.gz YWNOJVNLYKXPLL-UHFFFAOYSA-N -1 3 367.409 2.688 20 10 FFCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367430 608005602 /nfs/dbraw/zinc/00/56/02/608005602.db2.gz PWGQBVWBPQBXJX-ONNFQVAWSA-N -1 3 354.801 2.981 20 10 FFCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367430 608005603 /nfs/dbraw/zinc/00/56/03/608005603.db2.gz PWGQBVWBPQBXJX-ONNFQVAWSA-N -1 3 354.801 2.981 20 10 FFCDHM CC(C)Oc1ccc(NCc2cc3c(cc2O)OCO3)cc1-c1nnn[n-]1 ZINC000824329208 609489746 /nfs/dbraw/zinc/48/97/46/609489746.db2.gz LKGFRSGVLJRSID-UHFFFAOYSA-N -1 3 369.381 2.700 20 10 FFCDHM CC(C)Oc1ccc(NCc2cc3c(cc2O)OCO3)cc1-c1nn[n-]n1 ZINC000824329208 609489749 /nfs/dbraw/zinc/48/97/49/609489749.db2.gz LKGFRSGVLJRSID-UHFFFAOYSA-N -1 3 369.381 2.700 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000093011393 728473047 /nfs/dbraw/zinc/47/30/47/728473047.db2.gz VBQBJPYXRFIPPR-OAHLLOKOSA-N -1 3 369.849 2.641 20 10 FFCDHM CC(=O)[N-]OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000178194867 729156681 /nfs/dbraw/zinc/15/66/81/729156681.db2.gz XOOWLPMNYWXDSP-UHFFFAOYSA-N -1 3 352.337 2.946 20 10 FFCDHM O=S(=O)(c1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000179537050 729188268 /nfs/dbraw/zinc/18/82/68/729188268.db2.gz PQAJJOXRGOFCAS-UHFFFAOYSA-N -1 3 366.870 2.552 20 10 FFCDHM Cn1nccc1[C@@H](O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000857062680 730376921 /nfs/dbraw/zinc/37/69/21/730376921.db2.gz NGOWMFMETZPUSU-KRWDZBQOSA-N -1 3 353.825 2.864 20 10 FFCDHM Cn1nccc1[C@@H](O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000857063209 730376929 /nfs/dbraw/zinc/37/69/29/730376929.db2.gz SAWFNJRORJUXSL-KRWDZBQOSA-N -1 3 353.825 2.864 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N3CCOCC3)CC2)c1[O-] ZINC000859355448 730451697 /nfs/dbraw/zinc/45/16/97/730451697.db2.gz SXAYNUMVMULQFI-UHFFFAOYSA-N -1 3 352.862 2.545 20 10 FFCDHM CN(C)C(=O)CN(Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000862226739 730678387 /nfs/dbraw/zinc/67/83/87/730678387.db2.gz MLRJNLSGJCUEOR-UHFFFAOYSA-N -1 3 369.181 2.607 20 10 FFCDHM C[C@@H]1OCC[C@@]12CN(Cc1c([O-])cccc1Br)C[C@@H](C)O2 ZINC000862351093 730690440 /nfs/dbraw/zinc/69/04/40/730690440.db2.gz GMDQTFISNLASAX-BFQNTYOBSA-N -1 3 356.260 2.923 20 10 FFCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)C[C@]2(CCOC2)O1 ZINC000862352118 730691046 /nfs/dbraw/zinc/69/10/46/730691046.db2.gz ZRBRAZSJJVEACM-LRDDRELGSA-N -1 3 356.260 2.925 20 10 FFCDHM COCCN(Cc1c([O-])cccc1Br)C[C@@H](O)C(F)(F)F ZINC000862402969 730697627 /nfs/dbraw/zinc/69/76/27/730697627.db2.gz UKJATRRGQWHBJP-GFCCVEGCSA-N -1 3 372.181 2.526 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCOC3(CCOCC3)C2)c1 ZINC000781909971 738671643 /nfs/dbraw/zinc/67/16/43/738671643.db2.gz SCHSHXWBGMEWCM-UHFFFAOYSA-N -1 3 356.260 2.845 20 10 FFCDHM CC(C)[C@H](NCc1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000883116847 733337134 /nfs/dbraw/zinc/33/71/34/733337134.db2.gz HUNOXFBZVUTYCI-LBPRGKRZSA-N -1 3 357.227 2.909 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCCN(C(=O)C3CC3)CC2)c1 ZINC000783696480 738827503 /nfs/dbraw/zinc/82/75/03/738827503.db2.gz HVIREJNGFSBBQF-UHFFFAOYSA-N -1 3 367.287 2.907 20 10 FFCDHM CN(C)C(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894991777 734949210 /nfs/dbraw/zinc/94/92/10/734949210.db2.gz GBEYDWFNXJIHPX-SECBINFHSA-N -1 3 361.667 2.718 20 10 FFCDHM O=C1CCCN1C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895334610 734992278 /nfs/dbraw/zinc/99/22/78/734992278.db2.gz JWLWVMREICPQNZ-NSHDSACASA-N -1 3 371.250 2.738 20 10 FFCDHM CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000754153868 736131349 /nfs/dbraw/zinc/13/13/49/736131349.db2.gz JWIWUPYFVMGHGB-IQMFZBJNSA-N -1 3 353.875 2.568 20 10 FFCDHM COC(=O)CN(Cc1cc(OC)cc(C)n1)Cc1cc(Cl)ccc1[O-] ZINC000757095449 736390724 /nfs/dbraw/zinc/39/07/24/736390724.db2.gz DQSQVTDXPGCIQZ-UHFFFAOYSA-N -1 3 364.829 2.933 20 10 FFCDHM Cc1nccn1CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764763378 737046886 /nfs/dbraw/zinc/04/68/86/737046886.db2.gz LBALISGKWCMISR-UHFFFAOYSA-N -1 3 367.247 2.549 20 10 FFCDHM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769958379 737586876 /nfs/dbraw/zinc/58/68/76/737586876.db2.gz UDFHQYIEGGKPRN-HIFRSBDPSA-N -1 3 372.512 2.558 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000921557158 738002191 /nfs/dbraw/zinc/00/21/91/738002191.db2.gz SNEBALLXOHLBKW-GFCCVEGCSA-N -1 3 354.447 2.775 20 10 FFCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775701671 738114964 /nfs/dbraw/zinc/11/49/64/738114964.db2.gz VIOXZBTZCMDHJD-INIZCTEOSA-N -1 3 353.825 2.864 20 10 FFCDHM O=C(CCCNC(=O)NC1CCCCC1)NCc1c([O-])cccc1F ZINC000928709251 738898066 /nfs/dbraw/zinc/89/80/66/738898066.db2.gz HFJNQPHNEHDJDM-UHFFFAOYSA-N -1 3 351.422 2.560 20 10 FFCDHM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705696 738897678 /nfs/dbraw/zinc/89/76/78/738897678.db2.gz LCZYPCUFEFJQFG-HONMWMINSA-N -1 3 350.390 2.545 20 10 FFCDHM CC(C)(C)OC(=O)N(CCCNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790543570 739467774 /nfs/dbraw/zinc/46/77/74/739467774.db2.gz PGVJXBKFECYWCR-UHFFFAOYSA-N -1 3 350.415 2.617 20 10 FFCDHM C[C@H]1OCC[C@@]12CN(Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930634 739515114 /nfs/dbraw/zinc/51/51/14/739515114.db2.gz BETHSBFCZJFEBG-XHBSWPGZSA-N -1 3 356.260 2.923 20 10 FFCDHM O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccoc1 ZINC000795851125 740071282 /nfs/dbraw/zinc/07/12/82/740071282.db2.gz ASPCVORWTHKHDR-CQSZACIVSA-N -1 3 370.858 2.582 20 10 FFCDHM CN(C)C(=O)OC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000816655081 742051215 /nfs/dbraw/zinc/05/12/15/742051215.db2.gz OXBLHYHHEVCZMB-UHFFFAOYSA-N -1 3 357.248 2.817 20 10 FFCDHM CN(C)S(=O)(=O)c1cccc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000824738602 743139699 /nfs/dbraw/zinc/13/96/99/743139699.db2.gz OPMDUOXJHNMQTE-UHFFFAOYSA-N -1 3 372.849 2.725 20 10 FFCDHM Cc1nsc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000824864034 743167285 /nfs/dbraw/zinc/16/72/85/743167285.db2.gz ZKQPKZXIDVOEGS-UHFFFAOYSA-N -1 3 369.288 2.637 20 10 FFCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCOC2)O1 ZINC000825748427 743321915 /nfs/dbraw/zinc/32/19/15/743321915.db2.gz AJSZJYBUBLNYGA-HOCLYGCPSA-N -1 3 356.260 2.925 20 10 FFCDHM CCOc1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC000827849922 744989910 /nfs/dbraw/zinc/98/99/10/744989910.db2.gz JCZZTZSYCCVNBL-RISCZKNCSA-N -1 3 360.376 2.680 20 10 FFCDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1=CCCC1 ZINC000837215529 746394565 /nfs/dbraw/zinc/39/45/65/746394565.db2.gz AOQGLWZDFRXGIM-UHFFFAOYSA-N -1 3 352.456 2.630 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000839579146 746860786 /nfs/dbraw/zinc/86/07/86/746860786.db2.gz SYVRVSGIUNAGGX-KRWDZBQOSA-N -1 3 363.845 2.917 20 10 FFCDHM Cc1ncc2n1C[C@@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000846016535 748383386 /nfs/dbraw/zinc/38/33/86/748383386.db2.gz VLQCZXNNLIMJNP-LBPRGKRZSA-N -1 3 364.243 2.538 20 10 FFCDHM C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(Br)ccc1[O-] ZINC000848556861 748960055 /nfs/dbraw/zinc/96/00/55/748960055.db2.gz FICKLCKDIVLPEB-RNCFNFMXSA-N -1 3 367.247 2.975 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821110194 945636124 /nfs/dbraw/zinc/63/61/24/945636124.db2.gz XRVGIXNMCXKEGG-UHFFFAOYSA-N -1 3 372.816 2.673 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821110194 945636128 /nfs/dbraw/zinc/63/61/28/945636128.db2.gz XRVGIXNMCXKEGG-UHFFFAOYSA-N -1 3 372.816 2.673 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000891023621 961622636 /nfs/dbraw/zinc/62/26/36/961622636.db2.gz LCFGHWBNXHEFLN-IBGZPJMESA-N -1 3 362.426 2.713 20 10 FFCDHM CCOC(=O)c1cnn(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC000894877571 966014676 /nfs/dbraw/zinc/01/46/76/966014676.db2.gz CJLPFIBQNMPSAO-UHFFFAOYSA-N -1 3 365.380 2.881 20 10 FFCDHM O=C1NC2(C[C@H]1c1cccnc1)CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142520429 982527248 /nfs/dbraw/zinc/52/72/48/982527248.db2.gz JFVHFAHQGJYUMU-HNNXBMFYSA-N -1 3 373.403 2.704 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000170830639 985155594 /nfs/dbraw/zinc/15/55/94/985155594.db2.gz YVHLQGBNDRLVKR-UHFFFAOYSA-N -1 3 370.449 2.965 20 10 FFCDHM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921621286 985478290 /nfs/dbraw/zinc/47/82/90/985478290.db2.gz MJLJLUXCILCCQN-CZUORRHYSA-N -1 3 365.449 2.614 20 10 FFCDHM CC(=O)[C@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232979663 986351364 /nfs/dbraw/zinc/35/13/64/986351364.db2.gz ICLMCLQHTLADLB-NSHDSACASA-N -1 3 359.207 2.798 20 10 FFCDHM CC(C)[C@@H](NC(=O)NCc1c([O-])cccc1F)c1nnc2ccccn21 ZINC000916105954 989737640 /nfs/dbraw/zinc/73/76/40/989737640.db2.gz AHZMKQOUSYJEPF-MRXNPFEDSA-N -1 3 357.389 2.771 20 10 FFCDHM O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180033610 991410671 /nfs/dbraw/zinc/41/06/71/991410671.db2.gz VNCZISSEMMCYJE-UHFFFAOYSA-N -1 3 353.397 2.971 20 10 FFCDHM O=C1CCC[C@@H]2CN(Cc3cccc(I)c3[O-])C[C@H]12 ZINC001237785093 992720085 /nfs/dbraw/zinc/72/00/85/992720085.db2.gz CBRCENUJEGSTQF-PWSUYJOCSA-N -1 3 371.218 2.798 20 10 FFCDHM COc1ccc([C@H](NCc2ccc(N(C)C)c(C)c2)C(=O)[O-])c(OC)c1 ZINC001599531209 997656546 /nfs/dbraw/zinc/65/65/46/997656546.db2.gz IFCGQCRYURWLMX-IBGZPJMESA-N -1 3 358.438 2.994 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCN(C3CCC3)CC2)c1[O-] ZINC000733296987 998958811 /nfs/dbraw/zinc/95/88/11/998958811.db2.gz HLBPAANBFSNIKW-UHFFFAOYSA-N -1 3 366.461 2.999 20 10 FFCDHM C[C@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)N1[C@H](C)CC[C@H]1C ZINC001594300723 999161395 /nfs/dbraw/zinc/16/13/95/999161395.db2.gz WHMCQAPWKBAUCH-JHJVBQTASA-N -1 3 368.861 2.720 20 10 FFCDHM CC1(C)N(C(=O)c2cccc(O)c2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001148218614 1001070907 /nfs/dbraw/zinc/07/09/07/1001070907.db2.gz HXXTUFRBEKUSRS-FQEVSTJZSA-N -1 3 353.374 2.579 20 10 FFCDHM CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1[O-] ZINC001148224601 1001075368 /nfs/dbraw/zinc/07/53/68/1001075368.db2.gz QMJHCLMHECIYBI-CQSZACIVSA-N -1 3 363.797 2.655 20 10 FFCDHM O=C(Nc1nc(F)cc(C(F)(F)F)c1F)c1cc(O)c([O-])c(O)c1 ZINC001148582091 1001174098 /nfs/dbraw/zinc/17/40/98/1001174098.db2.gz WLCUYMBHMIGCKW-UHFFFAOYSA-N -1 3 350.199 2.748 20 10 FFCDHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC001182653378 1002002504 /nfs/dbraw/zinc/00/25/04/1002002504.db2.gz IBOBXMQIUHBZRS-ZDUSSCGKSA-N -1 3 368.384 2.842 20 10 FFCDHM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000789975437 1002243821 /nfs/dbraw/zinc/24/38/21/1002243821.db2.gz BFULKAPGQDQMFJ-UHFFFAOYSA-N -1 3 358.413 2.974 20 10 FFCDHM C[C@@H]1CN(Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2)C[C@@H](C)O1 ZINC000790756000 1002473265 /nfs/dbraw/zinc/47/32/65/1002473265.db2.gz NUVAJKJEBWHALS-ZIAGYGMSSA-N -1 3 356.422 2.959 20 10 FFCDHM COc1c([O-])c(CNc2ccc(NC(=O)C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000775050193 1003415904 /nfs/dbraw/zinc/41/59/04/1003415904.db2.gz FIYMARAUPOZLIN-UHFFFAOYSA-N -1 3 358.354 2.665 20 10 FFCDHM COc1c([O-])c(CN2CCOc3cc(N(C)C)ccc32)ccc1[N+](=O)[O-] ZINC000775068224 1003516984 /nfs/dbraw/zinc/51/69/84/1003516984.db2.gz JBHZDFUYVMRJGU-UHFFFAOYSA-N -1 3 359.382 2.774 20 10 FFCDHM COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc(O)c1O ZINC001193113788 1004378175 /nfs/dbraw/zinc/37/81/75/1004378175.db2.gz CGPISTWTJZXRDL-UHFFFAOYSA-N -1 3 374.780 2.944 20 10 FFCDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1cccc(OC)c1 ZINC000852428764 1006019737 /nfs/dbraw/zinc/01/97/37/1006019737.db2.gz WKQOMTLLJCROAM-KRWDZBQOSA-N -1 3 361.369 2.746 20 10 FFCDHM COc1cc2[nH]c(CCCNC(=O)c3cccc(O)c3[O-])cc2c(OC)c1 ZINC000776667918 1006386877 /nfs/dbraw/zinc/38/68/77/1006386877.db2.gz GPCZZAKMFPXISV-UHFFFAOYSA-N -1 3 370.405 2.959 20 10 FFCDHM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cncc([O-])c1 ZINC000111595983 1006533637 /nfs/dbraw/zinc/53/36/37/1006533637.db2.gz PQQFUIXUNGKPFG-UHFFFAOYSA-N -1 3 363.364 2.787 20 10 FFCDHM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856305300 1007759471 /nfs/dbraw/zinc/75/94/71/1007759471.db2.gz NSNBRBHWMSNRBL-AWEZNQCLSA-N -1 3 374.462 2.566 20 10 FFCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C(C)=O)c([O-])c3)C2)cc1 ZINC000822370602 1008588693 /nfs/dbraw/zinc/58/86/93/1008588693.db2.gz MUWOQDXPXHTLNI-HNNXBMFYSA-N -1 3 368.433 2.860 20 10 FFCDHM COc1ccc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001177883655 1008771017 /nfs/dbraw/zinc/77/10/17/1008771017.db2.gz UCFREGVRAVAXPV-UHFFFAOYSA-N -1 3 357.797 2.856 20 10 FFCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]OCCOC(C)C)cc1 ZINC000861793353 1009560119 /nfs/dbraw/zinc/56/01/19/1009560119.db2.gz GZFMQMFDZPDMKZ-UHFFFAOYSA-N -1 3 358.438 2.922 20 10 FFCDHM O=C(CCc1ccc(O)c(O)c1)Nc1ncc([O-])cc1Br ZINC001182154951 1010402953 /nfs/dbraw/zinc/40/29/53/1010402953.db2.gz QVLJTKDCECGTAY-UHFFFAOYSA-N -1 3 353.172 2.532 20 10 FFCDHM CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000828427741 1032699133 /nfs/dbraw/zinc/69/91/33/1032699133.db2.gz DIDJRKUJZMZTEO-HNNXBMFYSA-N -1 3 358.413 2.974 20 10 FFCDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3c([O-])cccc3F)c12 ZINC000928708285 1019084158 /nfs/dbraw/zinc/08/41/58/1019084158.db2.gz FIDMGAIGCRXVBV-UHFFFAOYSA-N -1 3 354.385 2.929 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000928712222 1019085859 /nfs/dbraw/zinc/08/58/59/1019085859.db2.gz OWHKBERRTFCBPT-HNNXBMFYSA-N -1 3 356.397 2.700 20 10 FFCDHM CCOC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1cccc(O)c1 ZINC000779203203 1023353978 /nfs/dbraw/zinc/35/39/78/1023353978.db2.gz SMFUJFGYCYEREG-KRWDZBQOSA-N -1 3 361.369 2.834 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(Cc3ccncc3)c2)c1 ZINC000756866702 1023761184 /nfs/dbraw/zinc/76/11/84/1023761184.db2.gz BLRCTNVFWJMOLI-CYBMUJFWSA-N -1 3 352.394 2.992 20 10 FFCDHM O=C1[C@@H]2CCCN(Cc3c([O-])cccc3F)[C@H]2C(=O)N1Cc1ccccc1 ZINC001137838825 1033181473 /nfs/dbraw/zinc/18/14/73/1033181473.db2.gz LFFXEKKPQQNLCU-DNVCBOLYSA-N -1 3 368.408 2.681 20 10 FFCDHM CC(C)(C)OC(=O)NC1(CC(=O)NCc2c([O-])cccc2F)CCC1 ZINC001156170859 1029073713 /nfs/dbraw/zinc/07/37/13/1029073713.db2.gz VGGUGLKEUIIIAS-UHFFFAOYSA-N -1 3 352.406 2.985 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001138128330 1033813606 /nfs/dbraw/zinc/81/36/06/1033813606.db2.gz DBIXEZMUYVBGGE-UHFFFAOYSA-N -1 3 356.323 2.662 20 10 FFCDHM CC(C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC001221895547 1035141950 /nfs/dbraw/zinc/14/19/50/1035141950.db2.gz HKAIQYDOGZNBHV-CQSZACIVSA-N -1 3 369.437 2.880 20 10 FFCDHM [O-]c1c(F)ccc(F)c1CN1CCc2ncnc(N3CCCC3)c2CC1 ZINC001139682081 1035197065 /nfs/dbraw/zinc/19/70/65/1035197065.db2.gz OBJZKCQCWVWJBF-UHFFFAOYSA-N -1 3 360.408 2.661 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC001140058251 1035325667 /nfs/dbraw/zinc/32/56/67/1035325667.db2.gz WITODLDZUXPKCW-OAHLLOKOSA-N -1 3 354.422 2.647 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC001140058250 1035326282 /nfs/dbraw/zinc/32/62/82/1035326282.db2.gz WITODLDZUXPKCW-HNNXBMFYSA-N -1 3 354.422 2.647 20 10 FFCDHM Cc1cnc(N2CCN(Cc3c([O-])cccc3Br)CC2)nc1 ZINC001140102394 1035343109 /nfs/dbraw/zinc/34/31/09/1035343109.db2.gz PBTSLNWDJSJMPW-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140462951 1035484529 /nfs/dbraw/zinc/48/45/29/1035484529.db2.gz POFBRUOGKHPUSK-CQSZACIVSA-N -1 3 356.850 2.771 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1CCO ZINC001140465838 1035485556 /nfs/dbraw/zinc/48/55/56/1035485556.db2.gz RQYHUJWROPITNU-HNNXBMFYSA-N -1 3 370.877 2.849 20 10 FFCDHM COCc1cnc2n1CCN(Cc1cc(Cl)c(OC)cc1[O-])[C@H]2C ZINC001232266302 1035537914 /nfs/dbraw/zinc/53/79/14/1035537914.db2.gz WAPSPISCDHIVBB-NSHDSACASA-N -1 3 351.834 2.974 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2c1cnn2C ZINC001232268980 1035540875 /nfs/dbraw/zinc/54/08/75/1035540875.db2.gz XTRFGSXYIMRYMQ-CYBMUJFWSA-N -1 3 365.861 2.924 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001140580751 1035661276 /nfs/dbraw/zinc/66/12/76/1035661276.db2.gz JOUKAMYJYJMNLM-ORAYPTAESA-N -1 3 364.392 2.596 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001232976137 1036205552 /nfs/dbraw/zinc/20/55/52/1036205552.db2.gz ORQDOPPRKZJIRX-ABAIWWIYSA-N -1 3 373.234 2.998 20 10 FFCDHM CC1(C)CN(Cc2ccc(I)cc2[O-])CCC1=O ZINC001232980933 1036213384 /nfs/dbraw/zinc/21/33/84/1036213384.db2.gz YRTOZDBUHJYDAL-UHFFFAOYSA-N -1 3 359.207 2.798 20 10 FFCDHM Cc1noc([C@@H]2CCN(Cc3c([O-])cc(Br)cc3F)C2)n1 ZINC001233029653 1036267729 /nfs/dbraw/zinc/26/77/29/1036267729.db2.gz GQJVWMJGWJQIMJ-SECBINFHSA-N -1 3 356.195 2.975 20 10 FFCDHM COc1cc([O-])c(CN2C[C@@H](CO)CC(F)(F)C2)cc1Br ZINC001233135411 1036384068 /nfs/dbraw/zinc/38/40/68/1036384068.db2.gz SFNQVVMYOPIBTK-VIFPVBQESA-N -1 3 366.202 2.613 20 10 FFCDHM COc1cc([O-])c(CN2CCO[C@@H](C(F)(F)F)C2)cc1Br ZINC001233140863 1036387224 /nfs/dbraw/zinc/38/72/24/1036387224.db2.gz VKTOKXLUADQACK-GFCCVEGCSA-N -1 3 370.165 2.926 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCC3(COC3)C2)c1 ZINC001233306649 1036513012 /nfs/dbraw/zinc/51/30/12/1036513012.db2.gz YRZLUEQCLWVKLT-UHFFFAOYSA-N -1 3 370.243 2.554 20 10 FFCDHM O=C(C[C@H]1[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]12)NCc1ccco1 ZINC001233333784 1036541921 /nfs/dbraw/zinc/54/19/21/1036541921.db2.gz HVMGHHHPODINCT-BTTYYORXSA-N -1 3 362.376 2.648 20 10 FFCDHM O=C1NC2(C[C@H]1c1cccnc1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333772 1036542550 /nfs/dbraw/zinc/54/25/50/1036542550.db2.gz HIXSGMMXYOWGDQ-AWEZNQCLSA-N -1 3 373.403 2.704 20 10 FFCDHM CO[C@H](C)CO[C@@H](C)COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192446 1036543586 /nfs/dbraw/zinc/54/35/86/1036543586.db2.gz NCYBFSPCCJKVQB-OLZOCXBDSA-N -1 3 370.401 2.986 20 10 FFCDHM COc1cnc(OC2CCN(Cc3c([O-])ccc(F)c3F)CC2)nc1 ZINC001233336533 1036544039 /nfs/dbraw/zinc/54/40/39/1036544039.db2.gz OYHXKKWFDQQHLS-UHFFFAOYSA-N -1 3 351.353 2.512 20 10 FFCDHM COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c([O-])c1Cl ZINC001277833432 1036932886 /nfs/dbraw/zinc/93/28/86/1036932886.db2.gz IQYRHIHMHNIXSV-VXGBXAGGSA-N -1 3 374.815 2.885 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCOC[C@@H]3F)c12 ZINC001234754190 1037169344 /nfs/dbraw/zinc/16/93/44/1037169344.db2.gz VMBPKQXALKHQGE-GXFFZTMASA-N -1 3 362.309 2.569 20 10 FFCDHM COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300912 1037462502 /nfs/dbraw/zinc/46/25/02/1037462502.db2.gz AVJLJUIWBOUHOI-KOLCDFICSA-N -1 3 360.223 2.925 20 10 FFCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445965 1037585288 /nfs/dbraw/zinc/58/52/88/1037585288.db2.gz DHAAJSNCXKRYIS-CYBMUJFWSA-N -1 3 364.442 2.779 20 10 FFCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445965 1037585289 /nfs/dbraw/zinc/58/52/89/1037585289.db2.gz DHAAJSNCXKRYIS-CYBMUJFWSA-N -1 3 364.442 2.779 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c([O-])c1 ZINC001231453864 1037594405 /nfs/dbraw/zinc/59/44/05/1037594405.db2.gz QXCQBWUKKWLAJZ-UHFFFAOYSA-N -1 3 372.396 2.624 20 10 FFCDHM CCOC(=O)[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCS1 ZINC001236670568 1038182838 /nfs/dbraw/zinc/18/28/38/1038182838.db2.gz MNIXBGDLKSHLPO-CYBMUJFWSA-N -1 3 374.300 2.944 20 10 FFCDHM COC[C@@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2ncn(C)c21 ZINC001236795704 1038275517 /nfs/dbraw/zinc/27/55/17/1038275517.db2.gz NPAHRDDMZQEERY-NSHDSACASA-N -1 3 351.834 2.534 20 10 FFCDHM COC[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236796809 1038277682 /nfs/dbraw/zinc/27/76/82/1038277682.db2.gz ZFKBFLPJHKAYSK-GFCCVEGCSA-N -1 3 351.834 2.534 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3nccc(Cl)n3)CC2)c(Cl)c1 ZINC001236804796 1038279272 /nfs/dbraw/zinc/27/92/72/1038279272.db2.gz ZSZCSUXYZFPRMW-UHFFFAOYSA-N -1 3 369.252 2.820 20 10 FFCDHM [O-]c1cc2ccccc2cc1CN1CCn2c(Br)nnc2C1 ZINC001236841619 1038304553 /nfs/dbraw/zinc/30/45/53/1038304553.db2.gz MGBAECUMKYSXRS-UHFFFAOYSA-N -1 3 359.227 2.915 20 10 FFCDHM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1c(Cl)cccc1Cl ZINC001257776048 1038972274 /nfs/dbraw/zinc/97/22/74/1038972274.db2.gz WFLBJQNLEXWYRR-UHFFFAOYSA-N -1 3 362.234 2.926 20 10 FFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O ZINC001259406586 1039978975 /nfs/dbraw/zinc/97/89/75/1039978975.db2.gz BETNQBGLFAUJDU-UHFFFAOYSA-N -1 3 365.407 2.767 20 10 FFCDHM COc1cc([O-])c(CN(C)CC(F)F)cc1I ZINC001248476766 1040293845 /nfs/dbraw/zinc/29/38/45/1040293845.db2.gz PKEJHZPXIZEDRP-UHFFFAOYSA-N -1 3 357.138 2.702 20 10 FFCDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(C)c(Br)cc1[O-] ZINC001250128575 1041124524 /nfs/dbraw/zinc/12/45/24/1041124524.db2.gz FRFYLAHGMWLAMH-NSHDSACASA-N -1 3 364.186 2.846 20 10 FFCDHM CC(C)NC(=O)N1CCC12CN(Cc1cc(Br)ccc1[O-])C2 ZINC001278566108 1041192918 /nfs/dbraw/zinc/19/29/18/1041192918.db2.gz ZWNUCFAVXQIGJL-UHFFFAOYSA-N -1 3 368.275 2.533 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001262926351 1041967043 /nfs/dbraw/zinc/96/70/43/1041967043.db2.gz BILCHSXTOKZCGN-OLZOCXBDSA-N -1 3 371.466 2.945 20 10 FFCDHM CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1O ZINC001279572255 1043276084 /nfs/dbraw/zinc/27/60/84/1043276084.db2.gz FREOZXPMKWVFLJ-BETUJISGSA-N -1 3 353.850 2.518 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)c1ccncc1 ZINC001237941471 1043446288 /nfs/dbraw/zinc/44/62/88/1043446288.db2.gz WUIAZWAZGBPJAE-CQSZACIVSA-N -1 3 363.820 2.974 20 10 FFCDHM CCn1ccnc1CN1CCC2(CN(Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001279697363 1043486859 /nfs/dbraw/zinc/48/68/59/1043486859.db2.gz JKCJCLBICZOTFG-UHFFFAOYSA-N -1 3 362.424 2.595 20 10 FFCDHM C[C@@H]1c2nc(C(=O)NC(C)(C)C)cn2CCN1Cc1cc(F)ccc1[O-] ZINC001280292289 1044559295 /nfs/dbraw/zinc/55/92/95/1044559295.db2.gz JPZCRMIXNHTKLM-GFCCVEGCSA-N -1 3 360.433 2.833 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001340209227 1050617055 /nfs/dbraw/zinc/61/70/55/1050617055.db2.gz JYILPKHUHFMOKP-AAEUAGOBSA-N -1 3 371.466 2.803 20 10 FFCDHM CCCCOc1ccc(C(=O)NCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001303879258 1051465646 /nfs/dbraw/zinc/46/56/46/1051465646.db2.gz VLZVFNUWDWEDLL-UHFFFAOYSA-N -1 3 374.412 2.756 20 10 FFCDHM NS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC001308805999 1052502148 /nfs/dbraw/zinc/50/21/48/1052502148.db2.gz JLTOPUBBACKODN-UHFFFAOYSA-N -1 3 367.279 2.698 20 10 FFCDHM CCc1ncoc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001336404527 1053973645 /nfs/dbraw/zinc/97/36/45/1053973645.db2.gz GLJVFADYIDUSTO-CQSZACIVSA-N -1 3 363.845 2.990 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@@H]2CSC[C@]2(C)C1 ZINC001339381598 1056396745 /nfs/dbraw/zinc/39/67/45/1056396745.db2.gz RIPWQFDDUCERKC-QGHHPUGFSA-N -1 3 373.507 2.987 20 10 FFCDHM CCOC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001520148980 1059428194 /nfs/dbraw/zinc/42/81/94/1059428194.db2.gz FNZGRWKDYATKOP-UHFFFAOYSA-N -1 3 359.455 2.803 20 10 FFCDHM CO[C@@H]1CC[C@@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001355800691 1060602289 /nfs/dbraw/zinc/60/22/89/1060602289.db2.gz GWRFPZOXIBGCOH-GHMZBOCLSA-N -1 3 359.455 2.801 20 10 FFCDHM CCOc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1OCC ZINC001475707294 1061220779 /nfs/dbraw/zinc/22/07/79/1061220779.db2.gz PKPFYAKDFSNZGB-UHFFFAOYSA-N -1 3 369.414 2.807 20 10 FFCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)n(-c2nc(C)cc(C)n2)n1 ZINC001465064566 1062960599 /nfs/dbraw/zinc/96/05/99/1062960599.db2.gz LRTFVJVLFZYGKE-UHFFFAOYSA-N -1 3 370.388 2.754 20 10 FFCDHM CC1(c2nnc(-c3cccnc3)o2)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001560939435 1076311840 /nfs/dbraw/zinc/31/18/40/1076311840.db2.gz IAECOIKAKVVQRH-UHFFFAOYSA-N -1 3 358.348 2.889 20 10 FFCDHM COc1c([O-])c(CNc2cccc(N3C(=O)CCC3=O)c2)ccc1[N+](=O)[O-] ZINC001561048094 1076324627 /nfs/dbraw/zinc/32/46/27/1076324627.db2.gz KEJKRJGYXAPVLH-UHFFFAOYSA-N -1 3 371.349 2.575 20 10 FFCDHM CC(C)Oc1ccc(N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC001589755104 1080708934 /nfs/dbraw/zinc/70/89/34/1080708934.db2.gz ZAFGIOQLXOCPLV-UHFFFAOYSA-N -1 3 363.425 2.938 20 10 FFCDHM CC(C)Oc1ccc(N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC001589755104 1080708939 /nfs/dbraw/zinc/70/89/39/1080708939.db2.gz ZAFGIOQLXOCPLV-UHFFFAOYSA-N -1 3 363.425 2.938 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974182 1080915688 /nfs/dbraw/zinc/91/56/88/1080915688.db2.gz QOCBFXBSDCSKSX-PBFPGSCMSA-N -1 3 366.425 2.538 20 10 FFCDHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091981998 508029329 /nfs/dbraw/zinc/02/93/29/508029329.db2.gz KFOHIFJWBFSJJD-WFASDCNBSA-N -1 3 354.472 2.805 20 10 FFCDHM CCOc1ccc(NC(=O)CN(C)Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000111236509 508081222 /nfs/dbraw/zinc/08/12/22/508081222.db2.gz LDZRCQMPWLUASS-UHFFFAOYSA-N -1 3 359.382 2.770 20 10 FFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000093913429 508160578 /nfs/dbraw/zinc/16/05/78/508160578.db2.gz UOIRLVFPVQKECG-MRXNPFEDSA-N -1 3 360.435 2.523 20 10 FFCDHM O=C(Nc1nncs1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000377695312 512404575 /nfs/dbraw/zinc/40/45/75/512404575.db2.gz JUSFVOLBGNYIMY-UHFFFAOYSA-N -1 3 370.837 2.887 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCOC1 ZINC000158062356 508652016 /nfs/dbraw/zinc/65/20/16/508652016.db2.gz YQDYKDGZCKUNCA-CZUORRHYSA-N -1 3 352.862 2.553 20 10 FFCDHM CC(=O)N1CCN(Cc2cccc(NCc3cc(F)ccc3[O-])c2)CC1 ZINC000188766750 509253972 /nfs/dbraw/zinc/25/39/72/509253972.db2.gz IFKKBRVZQMWQJY-UHFFFAOYSA-N -1 3 357.429 2.808 20 10 FFCDHM CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(Br)cc1[O-] ZINC000186030375 509489480 /nfs/dbraw/zinc/48/94/80/509489480.db2.gz YISOODCKGMBPJI-NXEZZACHSA-N -1 3 350.278 2.629 20 10 FFCDHM CCN(CCS(C)(=O)=O)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183111145 509602431 /nfs/dbraw/zinc/60/24/31/509602431.db2.gz PJYPDIHXEGQCHL-UHFFFAOYSA-N -1 3 363.479 2.838 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@H]2c2nncn2C)c1[O-] ZINC000180561697 509985019 /nfs/dbraw/zinc/98/50/19/509985019.db2.gz GXEBLBJAQIQIPJ-ZDUSSCGKSA-N -1 3 351.248 2.929 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c([O-])c1O ZINC000177672088 510192816 /nfs/dbraw/zinc/19/28/16/510192816.db2.gz HTTMUPREDTWSQK-UHFFFAOYSA-N -1 3 368.433 2.749 20 10 FFCDHM C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1[O-] ZINC000171926976 510456575 /nfs/dbraw/zinc/45/65/75/510456575.db2.gz QQWSPMBUKRREIS-INIZCTEOSA-N -1 3 369.465 2.688 20 10 FFCDHM C[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863359 510948769 /nfs/dbraw/zinc/94/87/69/510948769.db2.gz CXPAHJXESJQDLV-XLKFXECMSA-N -1 3 365.302 2.505 20 10 FFCDHM C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863359 510948772 /nfs/dbraw/zinc/94/87/72/510948772.db2.gz CXPAHJXESJQDLV-XLKFXECMSA-N -1 3 365.302 2.505 20 10 FFCDHM [O-]c1ccc(Br)cc1CN[C@]1(CO)CCOc2ccccc21 ZINC000282471366 510991117 /nfs/dbraw/zinc/99/11/17/510991117.db2.gz URIJHRYVZSVDEF-KRWDZBQOSA-N -1 3 364.239 2.915 20 10 FFCDHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000288224720 511068035 /nfs/dbraw/zinc/06/80/35/511068035.db2.gz NTLGCAXGAPZWNP-UHFFFAOYSA-N -1 3 357.410 2.630 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c([O-])c1O ZINC000282800275 511116413 /nfs/dbraw/zinc/11/64/13/511116413.db2.gz OBBABEZPQZHFPV-AWEZNQCLSA-N -1 3 355.438 2.959 20 10 FFCDHM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271297554 511154772 /nfs/dbraw/zinc/15/47/72/511154772.db2.gz RPCDPGHFCDTRAI-UHFFFAOYSA-N -1 3 358.394 2.516 20 10 FFCDHM COC(=O)CN(Cc1cnn(CC(F)F)c1)Cc1cc(Cl)ccc1[O-] ZINC000295407090 511394087 /nfs/dbraw/zinc/39/40/87/511394087.db2.gz RHWHPUZTIHDQNN-UHFFFAOYSA-N -1 3 373.787 2.682 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc2n(n1)CCC2 ZINC000295446176 511408424 /nfs/dbraw/zinc/40/84/24/511408424.db2.gz XNVQDCSGFLJOSI-UHFFFAOYSA-N -1 3 364.243 2.960 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273478963 511527712 /nfs/dbraw/zinc/52/77/12/511527712.db2.gz LNEABFLYRLVZLH-KSSFIOAISA-N -1 3 368.433 2.631 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273536048 511531016 /nfs/dbraw/zinc/53/10/16/511531016.db2.gz XKJKFECOKREHBI-BMIGLBTASA-N -1 3 351.349 2.841 20 10 FFCDHM CN1CCC(Oc2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000296060010 511607185 /nfs/dbraw/zinc/60/71/85/511607185.db2.gz OYWKBDOVKSVTGL-UHFFFAOYSA-N -1 3 374.412 2.640 20 10 FFCDHM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC000365752767 511637263 /nfs/dbraw/zinc/63/72/63/511637263.db2.gz ISMFYWUVOFSLAC-SNVBAGLBSA-N -1 3 355.350 2.647 20 10 FFCDHM CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000296320138 511698057 /nfs/dbraw/zinc/69/80/57/511698057.db2.gz SUECASWEYRVUHN-QGZVFWFLSA-N -1 3 354.472 2.805 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000296510648 511774570 /nfs/dbraw/zinc/77/45/70/511774570.db2.gz PMOVRIZMQPSQKF-LFPIHBKWSA-N -1 3 353.484 2.538 20 10 FFCDHM COc1ccccc1COC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275100247 512041611 /nfs/dbraw/zinc/04/16/11/512041611.db2.gz IPFWSRWIMPBXBP-UHFFFAOYSA-N -1 3 357.406 2.928 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c([O-])c1O ZINC000275166404 512061583 /nfs/dbraw/zinc/06/15/83/512061583.db2.gz VWGRCWQQWIJZDO-UHFFFAOYSA-N -1 3 363.801 2.533 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000374012756 512620757 /nfs/dbraw/zinc/62/07/57/512620757.db2.gz FZORDWLJABVZGE-QHRIQVFBSA-N -1 3 351.418 2.892 20 10 FFCDHM Cc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC000370563904 512994824 /nfs/dbraw/zinc/99/48/24/512994824.db2.gz PISHSKKICXXUOV-UHFFFAOYSA-N -1 3 350.422 2.887 20 10 FFCDHM CC[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883854 513031325 /nfs/dbraw/zinc/03/13/25/513031325.db2.gz DLRRXQFJVRKTFW-CVEARBPZSA-N -1 3 352.862 2.866 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736532428 598556691 /nfs/dbraw/zinc/55/66/91/598556691.db2.gz RMAMVHCZWGEWCU-UHFFFAOYSA-N -1 3 368.416 2.782 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736532428 598556693 /nfs/dbraw/zinc/55/66/93/598556693.db2.gz RMAMVHCZWGEWCU-UHFFFAOYSA-N -1 3 368.416 2.782 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737106596 598733324 /nfs/dbraw/zinc/73/33/24/598733324.db2.gz VQNFHDPJVAJQBP-JTQLQIEISA-N -1 3 370.438 2.629 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737106596 598733326 /nfs/dbraw/zinc/73/33/26/598733326.db2.gz VQNFHDPJVAJQBP-JTQLQIEISA-N -1 3 370.438 2.629 20 10 FFCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367431 608005684 /nfs/dbraw/zinc/00/56/84/608005684.db2.gz PWGQBVWBPQBXJX-WMZJFQQLSA-N -1 3 354.801 2.981 20 10 FFCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367431 608005685 /nfs/dbraw/zinc/00/56/85/608005685.db2.gz PWGQBVWBPQBXJX-WMZJFQQLSA-N -1 3 354.801 2.981 20 10 FFCDHM COc1ccc(N2CCC(Nc3nccc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209037 609545640 /nfs/dbraw/zinc/54/56/40/609545640.db2.gz KCYSVECHEOOZAW-UHFFFAOYSA-N -1 3 365.441 2.660 20 10 FFCDHM COc1ccc(N2CCC(Nc3nccc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826209037 609545642 /nfs/dbraw/zinc/54/56/42/609545642.db2.gz KCYSVECHEOOZAW-UHFFFAOYSA-N -1 3 365.441 2.660 20 10 FFCDHM CCN(CCS(C)(=O)=O)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000156957966 728862699 /nfs/dbraw/zinc/86/26/99/728862699.db2.gz CVUXYCPGMQEQAQ-UHFFFAOYSA-N -1 3 351.468 2.884 20 10 FFCDHM Cc1nccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000134264468 728729320 /nfs/dbraw/zinc/72/93/20/728729320.db2.gz VJMAXXRPONRUFV-HNNXBMFYSA-N -1 3 360.845 2.538 20 10 FFCDHM O=C1N[C@H](c2cc(Cl)ccc2[O-])Nc2ccc(N3CCOCC3)cc21 ZINC000193506008 729481289 /nfs/dbraw/zinc/48/12/89/729481289.db2.gz UYHXEIAFCVYJDI-QGZVFWFLSA-N -1 3 359.813 2.736 20 10 FFCDHM COC(=O)c1cc(C(C)(C)NCc2c([O-])cccc2Br)no1 ZINC000858165427 730418480 /nfs/dbraw/zinc/41/84/80/730418480.db2.gz IHUABLHIYKLHKG-UHFFFAOYSA-N -1 3 369.215 2.954 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@H]2CCCC[C@H]21 ZINC000862244045 730680680 /nfs/dbraw/zinc/68/06/80/730680680.db2.gz VGLYQCDMEMRCKX-DZGCQCFKSA-N -1 3 374.300 2.696 20 10 FFCDHM CCS(=O)(=O)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862350123 730690634 /nfs/dbraw/zinc/69/06/34/730690634.db2.gz HTVMMSDOTVSQHV-UHFFFAOYSA-N -1 3 362.289 2.554 20 10 FFCDHM O=C1CN(Cc2c([O-])cccc2Br)CN1CCC(F)(F)F ZINC000862384149 730694956 /nfs/dbraw/zinc/69/49/56/730694956.db2.gz PIEAVROALGTAOA-UHFFFAOYSA-N -1 3 367.165 2.709 20 10 FFCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876642871 732264489 /nfs/dbraw/zinc/26/44/89/732264489.db2.gz OFEWXBILFJEAAD-SNVBAGLBSA-N -1 3 356.394 2.511 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC000781362909 738621209 /nfs/dbraw/zinc/62/12/09/738621209.db2.gz YEJLFDKHSLXHDZ-GFCCVEGCSA-N -1 3 350.415 2.617 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2nc(-c3nccn3C)no2)c1 ZINC000781559865 738636694 /nfs/dbraw/zinc/63/66/94/738636694.db2.gz LJKVQEHLEAHKGF-UHFFFAOYSA-N -1 3 364.203 2.859 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ncccn3)CC2)c1 ZINC000781894840 738668934 /nfs/dbraw/zinc/66/89/34/738668934.db2.gz MVYNZEZYYHETIA-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM COc1ccc(CNCc2cc(Br)cc(F)c2[O-])c(OC)n1 ZINC000883123305 733339135 /nfs/dbraw/zinc/33/91/35/733339135.db2.gz UBNZKGKIYJSPCU-UHFFFAOYSA-N -1 3 371.206 2.996 20 10 FFCDHM COC(=O)CN(Cc1cnn(C)c1C1CC1)Cc1cc(Cl)ccc1[O-] ZINC000891992684 734504758 /nfs/dbraw/zinc/50/47/58/734504758.db2.gz NYDHTCISBWDHJS-UHFFFAOYSA-N -1 3 363.845 2.832 20 10 FFCDHM C[C@H]1CCC[C@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000734558769 734903078 /nfs/dbraw/zinc/90/30/78/734903078.db2.gz WVLXZWPFHPNADB-QWHCGFSZSA-N -1 3 354.472 2.710 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2n[nH]cc2C(=O)N(C)C)c1 ZINC000902660682 735977944 /nfs/dbraw/zinc/97/79/44/735977944.db2.gz GAGBIEFWNNWZBU-UHFFFAOYSA-N -1 3 353.220 2.500 20 10 FFCDHM COc1cc(CNCc2c([O-])ccc(Cl)c2F)ccc1OCCO ZINC000790951275 739518226 /nfs/dbraw/zinc/51/82/26/739518226.db2.gz JGZWYKMZSRBELF-UHFFFAOYSA-N -1 3 355.793 2.854 20 10 FFCDHM C[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(Br)cc1[O-] ZINC000756491333 736336009 /nfs/dbraw/zinc/33/60/09/736336009.db2.gz UXRYRSZFSOWZQM-LLVKDONJSA-N -1 3 374.242 2.981 20 10 FFCDHM CCC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCN1CCOC ZINC000766970002 737280509 /nfs/dbraw/zinc/28/05/09/737280509.db2.gz YUJKALBKZHJNEP-KRWDZBQOSA-N -1 3 352.450 2.667 20 10 FFCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000767441410 737325914 /nfs/dbraw/zinc/32/59/14/737325914.db2.gz WWUFVDYRNFCYIB-LBPRGKRZSA-N -1 3 367.398 2.747 20 10 FFCDHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769688186 737553776 /nfs/dbraw/zinc/55/37/76/737553776.db2.gz GAFKUWRHHKPZOR-XPKDYRNWSA-N -1 3 368.499 2.954 20 10 FFCDHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775291510 738079652 /nfs/dbraw/zinc/07/96/52/738079652.db2.gz KIJWYGHIPDKCPS-UHFFFAOYSA-N -1 3 363.435 2.834 20 10 FFCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741739 738120339 /nfs/dbraw/zinc/12/03/39/738120339.db2.gz PZANGJMADPRIBT-ZBEGNZNMSA-N -1 3 353.825 2.864 20 10 FFCDHM O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC000776341960 738184348 /nfs/dbraw/zinc/18/43/48/738184348.db2.gz UMPVNNWDFPQVGN-SECBINFHSA-N -1 3 372.204 2.574 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928707829 738898050 /nfs/dbraw/zinc/89/80/50/738898050.db2.gz CNKRXDRFNPWRGB-UHFFFAOYSA-N -1 3 352.406 2.795 20 10 FFCDHM O=C(N[C@@H](CCO)c1ccccc1Br)c1cccc(O)c1[O-] ZINC000790926342 739514306 /nfs/dbraw/zinc/51/43/06/739514306.db2.gz MNRQKTNVOIQUGX-ZDUSSCGKSA-N -1 3 366.211 2.714 20 10 FFCDHM O=S(=O)([N-]Cc1ccccc1O)c1cccc(Br)c1F ZINC000798439528 740332178 /nfs/dbraw/zinc/33/21/78/740332178.db2.gz VDVRGZNGWVZIQT-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM COc1ccnc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)c1 ZINC000816503423 742035851 /nfs/dbraw/zinc/03/58/51/742035851.db2.gz WNAJMSUIQCTDBM-UHFFFAOYSA-N -1 3 351.809 2.911 20 10 FFCDHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC000817494886 742154985 /nfs/dbraw/zinc/15/49/85/742154985.db2.gz FGSKELKTHJPMBC-SECBINFHSA-N -1 3 362.407 2.790 20 10 FFCDHM CC(C)c1nccn1CC(=O)NCc1cccc(Br)c1[O-] ZINC000822458471 742736755 /nfs/dbraw/zinc/73/67/55/742736755.db2.gz HIIHYZGIFUTHIV-UHFFFAOYSA-N -1 3 352.232 2.791 20 10 FFCDHM COC(=O)c1cnc([C@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])s1 ZINC000823456176 742915858 /nfs/dbraw/zinc/91/58/58/742915858.db2.gz PZHXYYRIAZAFAK-QMMMGPOBSA-N -1 3 352.387 2.828 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1nccnc1OC ZINC000823477831 742922437 /nfs/dbraw/zinc/92/24/37/742922437.db2.gz XZODLZCDHCJFGN-UHFFFAOYSA-N -1 3 352.232 2.975 20 10 FFCDHM O=S1(=O)CC[C@@]2(C1)CCCN(Cc1cc(Br)ccc1[O-])C2 ZINC000824976524 743188097 /nfs/dbraw/zinc/18/80/97/743188097.db2.gz BUCGFJQZHVSUQJ-HNNXBMFYSA-N -1 3 374.300 2.555 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000826894562 743465145 /nfs/dbraw/zinc/46/51/45/743465145.db2.gz RADVUBOGZNPTQO-GWCFXTLKSA-N -1 3 371.808 2.761 20 10 FFCDHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000849307714 749096274 /nfs/dbraw/zinc/09/62/74/749096274.db2.gz DAYVEYABDVEQLT-UHFFFAOYSA-N -1 3 363.435 2.952 20 10 FFCDHM CC[C@H]([NH2+][C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1[O-] ZINC001589569129 948896985 /nfs/dbraw/zinc/89/69/85/948896985.db2.gz STCVQUJVCRSXFV-SCTDSRPQSA-N -1 3 368.433 2.860 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCN(C3CC3)CC2)c1[O-] ZINC000728199873 959394381 /nfs/dbraw/zinc/39/43/81/959394381.db2.gz YKRYILOUZVASCF-UHFFFAOYSA-N -1 3 352.434 2.609 20 10 FFCDHM CC1(c2nnc(-c3cccnc3)o2)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895366775 970495655 /nfs/dbraw/zinc/49/56/55/970495655.db2.gz VWFYDGCFOZLIJC-UHFFFAOYSA-N -1 3 358.348 2.889 20 10 FFCDHM CC(C)(C)NC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271159323 970666410 /nfs/dbraw/zinc/66/64/10/970666410.db2.gz WBVSWJJVNZFDSJ-JLTOFOAXSA-N -1 3 360.454 2.645 20 10 FFCDHM CCOC(=O)c1cnn(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC000877560024 1014627219 /nfs/dbraw/zinc/62/72/19/1014627219.db2.gz DNPYXLFCBHPUAO-UHFFFAOYSA-N -1 3 365.380 2.881 20 10 FFCDHM O=C([O-])CN(Cc1ccccc1O)C(=O)c1cccc(CN2CCCC2)c1 ZINC000911485290 982254417 /nfs/dbraw/zinc/25/44/17/982254417.db2.gz VYGYICUJKQOWGY-UHFFFAOYSA-N -1 3 368.433 2.715 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3F)c2)CC1 ZINC000911553358 982495341 /nfs/dbraw/zinc/49/53/41/982495341.db2.gz WUKCPZCSVDHRNS-UHFFFAOYSA-N -1 3 371.412 2.918 20 10 FFCDHM CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001590461766 990032022 /nfs/dbraw/zinc/03/20/22/990032022.db2.gz JHEFLJCXYOVEIG-AWEZNQCLSA-N -1 3 374.441 2.522 20 10 FFCDHM CC1(c2ccc(CNC(=O)NCc3c([O-])cccc3F)cc2)OCCO1 ZINC000923511294 991202940 /nfs/dbraw/zinc/20/29/40/991202940.db2.gz JOXSMFXSLDYBBR-UHFFFAOYSA-N -1 3 360.385 2.750 20 10 FFCDHM CCc1ccccc1NC(=O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179887485 991369671 /nfs/dbraw/zinc/36/96/71/991369671.db2.gz DGHBUAQMEWJGCX-UHFFFAOYSA-N -1 3 371.456 2.850 20 10 FFCDHM C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220841 994317177 /nfs/dbraw/zinc/31/71/77/994317177.db2.gz VWQIOSSISCQIJF-LBPRGKRZSA-N -1 3 358.394 2.639 20 10 FFCDHM C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593356413 995001668 /nfs/dbraw/zinc/00/16/68/995001668.db2.gz FVLTWGKZAHHDEO-AAEUAGOBSA-N -1 3 350.415 2.750 20 10 FFCDHM Cc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)n1-c1ccccn1 ZINC000824154278 996816667 /nfs/dbraw/zinc/81/66/67/996816667.db2.gz LVHUMQBOUXEEPZ-UHFFFAOYSA-N -1 3 365.437 2.958 20 10 FFCDHM Cn1cnnc1C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306592 998301225 /nfs/dbraw/zinc/30/12/25/998301225.db2.gz HYIGIMNBVMNTPM-UHFFFAOYSA-N -1 3 369.238 2.802 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](O)c1ccc(O)cc1 ZINC001144608927 998678523 /nfs/dbraw/zinc/67/85/23/998678523.db2.gz ZVGIKGHGNIKAPL-KRWDZBQOSA-N -1 3 358.781 2.649 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c([O-])c1O ZINC000770469116 1000798395 /nfs/dbraw/zinc/79/83/95/1000798395.db2.gz MUJPFXNLHSICNJ-UHFFFAOYSA-N -1 3 354.362 2.702 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@@](F)(CNC(=O)c2cccc(O)c2[O-])C1 ZINC001148220068 1001072773 /nfs/dbraw/zinc/07/27/73/1001072773.db2.gz ODBHRZOONSNJIP-GOSISDBHSA-N -1 3 368.405 2.567 20 10 FFCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(Cc2ccccc2F)n1 ZINC001148582539 1001174194 /nfs/dbraw/zinc/17/41/94/1001174194.db2.gz KDWBDWAWWCZTAZ-UHFFFAOYSA-N -1 3 357.341 2.748 20 10 FFCDHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790723774 1002475724 /nfs/dbraw/zinc/47/57/24/1002475724.db2.gz RARGTZWVYWSCRG-UHFFFAOYSA-N -1 3 359.422 2.828 20 10 FFCDHM Cc1c(NC(=O)c2ccc([O-])c(O)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC001193236682 1004413050 /nfs/dbraw/zinc/41/30/50/1004413050.db2.gz MTHKQQZPVMDLCF-UHFFFAOYSA-N -1 3 373.796 2.801 20 10 FFCDHM O=c1[n-]ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c1[N+](=O)[O-] ZINC000853192087 1006330095 /nfs/dbraw/zinc/33/00/95/1006330095.db2.gz DKLKTAWUOOGTDR-UHFFFAOYSA-N -1 3 358.398 2.516 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000855039033 1007079255 /nfs/dbraw/zinc/07/92/55/1007079255.db2.gz FAFAPVYTPPEVHQ-UONOGXRCSA-N -1 3 362.426 2.664 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2)C2CC2)c1 ZINC000817089724 1007422424 /nfs/dbraw/zinc/42/24/24/1007422424.db2.gz ORADYXWJEHWPRT-KRWDZBQOSA-N -1 3 374.462 2.687 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000884806274 1007555112 /nfs/dbraw/zinc/55/51/12/1007555112.db2.gz ATAKBBVZOLAKDL-CHWSQXEVSA-N -1 3 364.442 2.721 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000817670634 1007698185 /nfs/dbraw/zinc/69/81/85/1007698185.db2.gz YOYXSVRIMCMNRQ-UHFFFAOYSA-N -1 3 362.426 2.713 20 10 FFCDHM CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000802658252 1020298538 /nfs/dbraw/zinc/29/85/38/1020298538.db2.gz QAAGODNTFXOTTO-UHFFFAOYSA-N -1 3 356.422 2.657 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)c3c([O-])cccc3OC)CC2)cc1 ZINC000900294644 1020336687 /nfs/dbraw/zinc/33/66/87/1020336687.db2.gz XGGXRFOZPAGKOH-UHFFFAOYSA-N -1 3 356.422 2.762 20 10 FFCDHM CCO[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001121460509 1023790036 /nfs/dbraw/zinc/79/00/36/1023790036.db2.gz KZTLWBOJGIBWOA-LLVKDONJSA-N -1 3 359.455 2.803 20 10 FFCDHM Cc1nnc(CN(C)c2nnc(-c3sc4ncccc4c3[O-])n2C)s1 ZINC001121461102 1023790858 /nfs/dbraw/zinc/79/08/58/1023790858.db2.gz UFSPRPBGLJAOHX-UHFFFAOYSA-N -1 3 373.467 2.594 20 10 FFCDHM COc1ccc2c(=O)cc(C(=O)NCc3c(C)cc(C)cc3O)[n-]c2c1 ZINC001154120441 1028155349 /nfs/dbraw/zinc/15/53/49/1028155349.db2.gz GTXXJZYAYGSNND-UHFFFAOYSA-N -1 3 352.390 2.789 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001156170336 1029074086 /nfs/dbraw/zinc/07/40/86/1029074086.db2.gz LKKLPALZSLMPJX-OAHLLOKOSA-N -1 3 368.408 2.689 20 10 FFCDHM CC(C)NC(=O)NC1(C(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC001156170165 1029074805 /nfs/dbraw/zinc/07/48/05/1029074805.db2.gz HWDZKHIPGTXITB-UHFFFAOYSA-N -1 3 351.422 2.558 20 10 FFCDHM O=C1CN(Cc2cc(Br)ccc2[O-])CCN1C1CCCC1 ZINC001203642091 1030801539 /nfs/dbraw/zinc/80/15/39/1030801539.db2.gz DUVGWEVNSDCJBC-UHFFFAOYSA-N -1 3 353.260 2.742 20 10 FFCDHM COc1ncnc2c1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC001203642043 1030801626 /nfs/dbraw/zinc/80/16/26/1030801626.db2.gz BQBXMWBHTULLKR-UHFFFAOYSA-N -1 3 350.216 2.512 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1)C1CC1 ZINC001203650645 1030803672 /nfs/dbraw/zinc/80/36/72/1030803672.db2.gz ZUDIEXAMHUBJJO-CQSZACIVSA-N -1 3 353.260 2.645 20 10 FFCDHM CC(C)N(C)Cc1nnc2n1CCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203656974 1030809422 /nfs/dbraw/zinc/80/94/22/1030809422.db2.gz AOAHUOVCWVNEOG-UHFFFAOYSA-N -1 3 363.893 2.883 20 10 FFCDHM CC(C)C(=O)N1CCC[C@@]2(CN(Cc3cc(Cl)ccc3[O-])CCO2)C1 ZINC001203659650 1030815429 /nfs/dbraw/zinc/81/54/29/1030815429.db2.gz WVCOKVHTKHMAQF-LJQANCHMSA-N -1 3 366.889 2.895 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001138127406 1033809233 /nfs/dbraw/zinc/80/92/33/1033809233.db2.gz ZYWYJHDAOHUDDF-BMGDILEWSA-N -1 3 358.413 2.985 20 10 FFCDHM COCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967151 1033863557 /nfs/dbraw/zinc/86/35/57/1033863557.db2.gz FDHPECKRDABGTP-HZPDHXFCSA-N -1 3 370.852 2.787 20 10 FFCDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380510 1034659515 /nfs/dbraw/zinc/65/95/15/1034659515.db2.gz XJFNFZLGIPAULO-ABAIWWIYSA-N -1 3 366.369 2.888 20 10 FFCDHM CC(=O)N1CCC[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380190 1034660187 /nfs/dbraw/zinc/66/01/87/1034660187.db2.gz PGVGAAFOUBHPNU-CYBMUJFWSA-N -1 3 365.385 2.557 20 10 FFCDHM COC[C@@H](C)OC[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386075 1034662735 /nfs/dbraw/zinc/66/27/35/1034662735.db2.gz WVZKBLSLGKXJMX-OLZOCXBDSA-N -1 3 370.401 2.986 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461393 1035484019 /nfs/dbraw/zinc/48/40/19/1035484019.db2.gz KTSDNMNKSTYIGF-KGLIPLIRSA-N -1 3 356.850 2.506 20 10 FFCDHM C[C@H](O)CCCC(=O)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580294 1035616442 /nfs/dbraw/zinc/61/64/42/1035616442.db2.gz LLBUBDPFAZSTNU-NSHDSACASA-N -1 3 354.358 2.624 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@]23CCN(CC(F)F)C3=O)cc1Cl ZINC001277666328 1035694920 /nfs/dbraw/zinc/69/49/20/1035694920.db2.gz OWDVUSZRNWVOHV-QGZVFWFLSA-N -1 3 374.815 2.886 20 10 FFCDHM COc1ccc2c(c1)c1c(n2C)CCN(Cc2c(CO)cnc(C)c2[O-])C1 ZINC001140869955 1036328922 /nfs/dbraw/zinc/32/89/22/1036328922.db2.gz XMMLUSMOJNYYBK-UHFFFAOYSA-N -1 3 367.449 2.647 20 10 FFCDHM COc1cc([O-])c(CN(CCO)CC(F)(F)F)cc1Br ZINC001233142758 1036396598 /nfs/dbraw/zinc/39/65/98/1036396598.db2.gz XQVWQCKIDVFBLZ-UHFFFAOYSA-N -1 3 358.154 2.520 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@H](CO)CC[C@H]2C)c1 ZINC001233306549 1036511318 /nfs/dbraw/zinc/51/13/18/1036511318.db2.gz UZARNTQJIRKIPY-GHMZBOCLSA-N -1 3 372.259 2.534 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H](C)[C@@H](O)CC2)c1 ZINC001233306458 1036511806 /nfs/dbraw/zinc/51/18/06/1036511806.db2.gz RCIBZQBIKRJNPA-HZMBPMFUSA-N -1 3 372.259 2.534 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001233333136 1036537794 /nfs/dbraw/zinc/53/77/94/1036537794.db2.gz KZXNFBNBOCPYNC-IEZWGBDMSA-N -1 3 362.376 2.876 20 10 FFCDHM COc1ccnc(O[C@@H]2CCN(Cc3cccc(C(F)(F)F)c3[O-])C2)n1 ZINC001233419703 1036612918 /nfs/dbraw/zinc/61/29/18/1036612918.db2.gz JEVFYRPVXOCXNG-GFCCVEGCSA-N -1 3 369.343 2.863 20 10 FFCDHM CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419583 1036613089 /nfs/dbraw/zinc/61/30/89/1036613089.db2.gz FEJJBROUDLPUAP-CQSZACIVSA-N -1 3 374.403 2.870 20 10 FFCDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCN1c1ccccn1 ZINC001233455496 1036633939 /nfs/dbraw/zinc/63/39/39/1036633939.db2.gz NDBWXERGTROVRR-UHFFFAOYSA-N -1 3 351.328 2.655 20 10 FFCDHM CCn1nnc2c1[C@@H](COC)CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233453234 1036634519 /nfs/dbraw/zinc/63/45/19/1036634519.db2.gz ZZVAKFHMCCXRDE-GFCCVEGCSA-N -1 3 370.375 2.768 20 10 FFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001233452057 1036634819 /nfs/dbraw/zinc/63/48/19/1036634819.db2.gz IXCBXSYSPIUMEV-GFCCVEGCSA-N -1 3 359.266 2.537 20 10 FFCDHM COc1ccc(CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H](C)O)cc1 ZINC001231447502 1037585117 /nfs/dbraw/zinc/58/51/17/1037585117.db2.gz VRBQIMQUJCSXRJ-CQSZACIVSA-N -1 3 359.422 2.525 20 10 FFCDHM COc1ccc(CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H](C)O)cc1 ZINC001231447502 1037585134 /nfs/dbraw/zinc/58/51/34/1037585134.db2.gz VRBQIMQUJCSXRJ-CQSZACIVSA-N -1 3 359.422 2.525 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231449933 1037587726 /nfs/dbraw/zinc/58/77/26/1037587726.db2.gz OAXUDDHXYYSJIV-LSDHHAIUSA-N -1 3 362.426 2.674 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231449933 1037587734 /nfs/dbraw/zinc/58/77/34/1037587734.db2.gz OAXUDDHXYYSJIV-LSDHHAIUSA-N -1 3 362.426 2.674 20 10 FFCDHM [O-]c1ccc2ccccc2c1CN1CCn2c(Br)nnc2C1 ZINC001231590131 1037709896 /nfs/dbraw/zinc/70/98/96/1037709896.db2.gz KTDSSFQVJDPFIX-UHFFFAOYSA-N -1 3 359.227 2.915 20 10 FFCDHM [O-]c1c(Cl)cccc1CN1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001231914589 1038011557 /nfs/dbraw/zinc/01/15/57/1038011557.db2.gz PNEJEWDCEZTDHV-UHFFFAOYSA-N -1 3 373.888 2.758 20 10 FFCDHM COC[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2ncn(C)c21 ZINC001236795702 1038274940 /nfs/dbraw/zinc/27/49/40/1038274940.db2.gz NPAHRDDMZQEERY-LLVKDONJSA-N -1 3 351.834 2.534 20 10 FFCDHM Cc1noc([C@]23COC[C@H]2CN(Cc2cc(Cl)c(Cl)cc2[O-])C3)n1 ZINC001236793819 1038275576 /nfs/dbraw/zinc/27/55/76/1038275576.db2.gz QKCINOQHNBTNEP-BDJLRTHQSA-N -1 3 370.236 2.790 20 10 FFCDHM CCOC(=O)[C@@H]1CCCN1Cc1c([O-])cc(OC)cc1Br ZINC001237073872 1038437098 /nfs/dbraw/zinc/43/70/98/1038437098.db2.gz WMMSTIUOOACDNQ-ZDUSSCGKSA-N -1 3 358.232 2.691 20 10 FFCDHM CN1CCN(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)CC1 ZINC001256790526 1038621439 /nfs/dbraw/zinc/62/14/39/1038621439.db2.gz TYQJFARTCKHOJY-UHFFFAOYSA-N -1 3 365.886 2.893 20 10 FFCDHM CCCCN(C)CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429705 1039126645 /nfs/dbraw/zinc/12/66/45/1039126645.db2.gz YXPIIUGZQHHFQB-UHFFFAOYSA-N -1 3 355.287 2.709 20 10 FFCDHM CN1[C@@H]2CC[C@H]1C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])C2 ZINC001251432654 1039128864 /nfs/dbraw/zinc/12/88/64/1039128864.db2.gz HFNBLFUSUYRNDO-JGPRNRPPSA-N -1 3 365.282 2.603 20 10 FFCDHM COc1cc([O-])c(CN2CCC(F)(F)C2)cc1I ZINC001248458267 1040284380 /nfs/dbraw/zinc/28/43/80/1040284380.db2.gz DTZMNRAKUSOLQW-UHFFFAOYSA-N -1 3 369.149 2.846 20 10 FFCDHM Cc1cc(CN2CCC3(CN(Cc4cccc(Cl)c4[O-])C3)C2)n(C)n1 ZINC001279442363 1043116644 /nfs/dbraw/zinc/11/66/44/1043116644.db2.gz OCRBKDKIVYFPDH-UHFFFAOYSA-N -1 3 360.889 2.795 20 10 FFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)cc1Cl ZINC001279571670 1043275521 /nfs/dbraw/zinc/27/55/21/1043275521.db2.gz MSYNWVNVMYAHOX-OKILXGFUSA-N -1 3 367.877 2.821 20 10 FFCDHM COc1cc([O-])c(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c(Cl)c1 ZINC001279664760 1043427365 /nfs/dbraw/zinc/42/73/65/1043427365.db2.gz CPHCPAGKHKAJCZ-UHFFFAOYSA-N -1 3 367.877 2.680 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1cccc(CN2CCOC2=O)c1 ZINC001310125325 1043640299 /nfs/dbraw/zinc/64/02/99/1043640299.db2.gz UHLGRJPMKFCJGP-UHFFFAOYSA-N -1 3 359.357 2.805 20 10 FFCDHM O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001279983436 1044032989 /nfs/dbraw/zinc/03/29/89/1044032989.db2.gz KUPXKMUPBWBXKR-IFXJQAMLSA-N -1 3 364.848 2.971 20 10 FFCDHM C[C@@H]1CN(C(=O)[C@@H]2CC23CN(Cc2cc(Cl)ccc2[O-])C3)C[C@@H](C)O1 ZINC001279983155 1044034836 /nfs/dbraw/zinc/03/48/36/1044034836.db2.gz FEOJQPILEOOKOZ-IOASZLSFSA-N -1 3 364.873 2.503 20 10 FFCDHM O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1cccc(O)c1[O-] ZINC001324921142 1046290066 /nfs/dbraw/zinc/29/00/66/1046290066.db2.gz OFFRKMBUABVRDO-UHFFFAOYSA-N -1 3 360.373 2.762 20 10 FFCDHM CCOC[C@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001340094208 1050498201 /nfs/dbraw/zinc/49/82/01/1050498201.db2.gz DFYLXZYLRSPRAH-NSHDSACASA-N -1 3 359.455 2.660 20 10 FFCDHM CCOc1ccccc1N1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001303879269 1051465409 /nfs/dbraw/zinc/46/54/09/1051465409.db2.gz VPHPUKAXKMSKTR-ZDUSSCGKSA-N -1 3 372.396 2.599 20 10 FFCDHM COc1ccc(CNS(C)(=O)=O)cc1NCc1ccc(Cl)cc1[O-] ZINC001308771415 1052497684 /nfs/dbraw/zinc/49/76/84/1052497684.db2.gz GSNJDQQCDRBFTI-UHFFFAOYSA-N -1 3 370.858 2.716 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001309018416 1052540587 /nfs/dbraw/zinc/54/05/87/1052540587.db2.gz FYSTZWISCNLZCT-UHFFFAOYSA-N -1 3 367.402 2.587 20 10 FFCDHM CC(C)COc1ccccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001337030755 1054424565 /nfs/dbraw/zinc/42/45/65/1054424565.db2.gz KHZIJCABAZIAEI-UHFFFAOYSA-N -1 3 360.385 2.821 20 10 FFCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847357009 1055584526 /nfs/dbraw/zinc/58/45/26/1055584526.db2.gz VMQGDQISNFQFMU-UHFFFAOYSA-N -1 3 370.478 2.543 20 10 FFCDHM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ccnc3ccccc32)CC1 ZINC001457810514 1060448381 /nfs/dbraw/zinc/44/83/81/1060448381.db2.gz ORPKGKRDUZKIAU-UHFFFAOYSA-N -1 3 367.380 2.748 20 10 FFCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)cccc1N1CCNC1=O ZINC001476500913 1061422833 /nfs/dbraw/zinc/42/28/33/1061422833.db2.gz XTKQSYKUAOOHGL-UHFFFAOYSA-N -1 3 358.373 2.691 20 10 FFCDHM CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001462166995 1061524455 /nfs/dbraw/zinc/52/44/55/1061524455.db2.gz SYBGOGPIMYMQHV-ZDUSSCGKSA-N -1 3 350.365 2.783 20 10 FFCDHM CN(C)c1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001578998812 1078560746 /nfs/dbraw/zinc/56/07/46/1078560746.db2.gz SOYUDLXKZFSWCN-UHFFFAOYSA-N -1 3 357.349 2.592 20 10 FFCDHM CN(C)c1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001578998812 1078560753 /nfs/dbraw/zinc/56/07/53/1078560753.db2.gz SOYUDLXKZFSWCN-UHFFFAOYSA-N -1 3 357.349 2.592 20 10 FFCDHM C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589870181 1080818957 /nfs/dbraw/zinc/81/89/57/1080818957.db2.gz PCQQHVAZKSPARW-VXGBXAGGSA-N -1 3 368.397 2.935 20 10 FFCDHM C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589950922 1080895548 /nfs/dbraw/zinc/89/55/48/1080895548.db2.gz YJMIXDKGLFWSHV-GHMZBOCLSA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589950922 1080895556 /nfs/dbraw/zinc/89/55/56/1080895556.db2.gz YJMIXDKGLFWSHV-GHMZBOCLSA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589977737 1080916986 /nfs/dbraw/zinc/91/69/86/1080916986.db2.gz HPSLBGMZPFBAMR-ACJLOTCBSA-N -1 3 357.458 2.962 20 10 FFCDHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000055579945 221071936 /nfs/dbraw/zinc/07/19/36/221071936.db2.gz KQBFECAMDMRYBS-UHFFFAOYSA-N -1 3 374.871 2.821 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)Nc2nccs2)c1[O-] ZINC000079434875 507961508 /nfs/dbraw/zinc/96/15/08/507961508.db2.gz BRXFOWFOAWOQTR-AWEZNQCLSA-N -1 3 363.414 2.794 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1cnn(C)c1 ZINC000075416749 508106575 /nfs/dbraw/zinc/10/65/75/508106575.db2.gz BTZGFIRWIPDKHS-UHFFFAOYSA-N -1 3 366.259 2.870 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCOCCOC ZINC000075416957 508106705 /nfs/dbraw/zinc/10/67/05/508106705.db2.gz NHYMWLGQMRWWIZ-UHFFFAOYSA-N -1 3 360.248 2.556 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCCN(c2ncccn2)CC1 ZINC000093056342 508117811 /nfs/dbraw/zinc/11/78/11/508117811.db2.gz LZYRSAVCHVQXEH-UHFFFAOYSA-N -1 3 363.259 2.657 20 10 FFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCCCC1 ZINC000094075608 508166903 /nfs/dbraw/zinc/16/69/03/508166903.db2.gz ZNQOSOBOUUBCSH-UHFFFAOYSA-N -1 3 354.472 2.949 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCN1C(C)=O ZINC000137251240 508747315 /nfs/dbraw/zinc/74/73/15/508747315.db2.gz YJPLCHXADFZEEZ-AWEZNQCLSA-N -1 3 369.259 2.514 20 10 FFCDHM O=C(NC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000185786099 509354662 /nfs/dbraw/zinc/35/46/62/509354662.db2.gz LSKADLQAOIGAJU-OAHLLOKOSA-N -1 3 354.406 2.523 20 10 FFCDHM COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000186050005 509499820 /nfs/dbraw/zinc/49/98/20/509499820.db2.gz BFVBUADTESFAMO-FZKQIMNGSA-N -1 3 358.413 2.992 20 10 FFCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(Cl)c1[O-] ZINC000179882718 509659914 /nfs/dbraw/zinc/65/99/14/509659914.db2.gz HUJWNQZQTYJAGB-LLVKDONJSA-N -1 3 354.859 2.886 20 10 FFCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444779 510663832 /nfs/dbraw/zinc/66/38/32/510663832.db2.gz IABDLOBLLGRAAJ-MEDUHNTESA-N -1 3 353.825 2.864 20 10 FFCDHM CCNC(=O)CCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175841972 510819809 /nfs/dbraw/zinc/81/98/09/510819809.db2.gz YUYOTRXICVALOZ-UHFFFAOYSA-N -1 3 371.275 2.810 20 10 FFCDHM CCCOc1ccc(CN2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c([O-])c1 ZINC000285485962 510926620 /nfs/dbraw/zinc/92/66/20/510926620.db2.gz LYAHIGMXFIYCEZ-QGZVFWFLSA-N -1 3 372.469 2.930 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000278247243 510986356 /nfs/dbraw/zinc/98/63/56/510986356.db2.gz OULFVKPSDIGNFX-CYBMUJFWSA-N -1 3 374.397 2.949 20 10 FFCDHM COc1c([O-])c(CNc2ccccc2C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000278514969 510995901 /nfs/dbraw/zinc/99/59/01/510995901.db2.gz QQCMHDDARNVAIN-XMMPIXPASA-N -1 3 350.396 2.800 20 10 FFCDHM CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000290249378 511133001 /nfs/dbraw/zinc/13/30/01/511133001.db2.gz JTOZRVSRNBPKKM-JTQLQIEISA-N -1 3 350.278 2.629 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC(F)(F)[C@@H](CO)C2)c1[O-] ZINC000291356002 511165071 /nfs/dbraw/zinc/16/50/71/511165071.db2.gz XTRIWJNNLUUZJH-LLVKDONJSA-N -1 3 350.203 2.913 20 10 FFCDHM COc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c([O-])c1 ZINC000298819009 511419144 /nfs/dbraw/zinc/41/91/44/511419144.db2.gz ZTARXNFLGGPHGR-INIZCTEOSA-N -1 3 357.406 2.928 20 10 FFCDHM COc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c([O-])c1 ZINC000298819012 511420716 /nfs/dbraw/zinc/42/07/16/511420716.db2.gz ZTARXNFLGGPHGR-MRXNPFEDSA-N -1 3 357.406 2.928 20 10 FFCDHM C[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439973 511526614 /nfs/dbraw/zinc/52/66/14/511526614.db2.gz MPWSWBSCARVTJP-YMTOWFKASA-N -1 3 363.767 2.880 20 10 FFCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280692099 511566398 /nfs/dbraw/zinc/56/63/98/511566398.db2.gz RHMZLXWSZWCLHY-LBPRGKRZSA-N -1 3 350.415 2.569 20 10 FFCDHM COc1cc(Br)cc(CN2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000365845405 511683190 /nfs/dbraw/zinc/68/31/90/511683190.db2.gz CWCGMIKOJPIIPE-CYBMUJFWSA-N -1 3 352.232 2.807 20 10 FFCDHM COc1cc(Br)cc(CN2CC[C@H](n3cccn3)C2)c1[O-] ZINC000365845406 511683903 /nfs/dbraw/zinc/68/39/03/511683903.db2.gz CWCGMIKOJPIIPE-ZDUSSCGKSA-N -1 3 352.232 2.807 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000296510643 511773147 /nfs/dbraw/zinc/77/31/47/511773147.db2.gz PMOVRIZMQPSQKF-BSEYFRJRSA-N -1 3 353.484 2.538 20 10 FFCDHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(O)c2[O-])c1 ZINC000274936028 511992517 /nfs/dbraw/zinc/99/25/17/511992517.db2.gz FILHBEYCMAFXGU-MRXNPFEDSA-N -1 3 357.406 2.928 20 10 FFCDHM CC(C)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000293539282 512002370 /nfs/dbraw/zinc/00/23/70/512002370.db2.gz FSXGZNLVWHVHLI-GFCCVEGCSA-N -1 3 366.784 2.840 20 10 FFCDHM Cc1ccc(C(=O)N[C@H](c2nccn2C)c2ccccc2F)c([O-])c1O ZINC000378561895 512824584 /nfs/dbraw/zinc/82/45/84/512824584.db2.gz VJZNTNNPVCXMRR-HNNXBMFYSA-N -1 3 355.369 2.798 20 10 FFCDHM Cc1cc(C(=O)N(C)CC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226652 598610105 /nfs/dbraw/zinc/61/01/05/598610105.db2.gz DMVTUNXGJKECMF-UHFFFAOYSA-N -1 3 350.426 2.756 20 10 FFCDHM CN(C)c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000736772748 598627376 /nfs/dbraw/zinc/62/73/76/598627376.db2.gz HFHZXCBNZHUYMC-UHFFFAOYSA-N -1 3 373.367 2.533 20 10 FFCDHM CN(C)c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000736772748 598627378 /nfs/dbraw/zinc/62/73/78/598627378.db2.gz HFHZXCBNZHUYMC-UHFFFAOYSA-N -1 3 373.367 2.533 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737105838 598782483 /nfs/dbraw/zinc/78/24/83/598782483.db2.gz KFKZDHYHKPOPOR-LLVKDONJSA-N -1 3 368.397 2.772 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737105838 598782484 /nfs/dbraw/zinc/78/24/84/598782484.db2.gz KFKZDHYHKPOPOR-LLVKDONJSA-N -1 3 368.397 2.772 20 10 FFCDHM CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000833695604 605041332 /nfs/dbraw/zinc/04/13/32/605041332.db2.gz TUTZRKRSLXJNNF-LJQANCHMSA-N -1 3 358.413 2.920 20 10 FFCDHM COc1ccc(O)c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC000833733417 605239066 /nfs/dbraw/zinc/23/90/66/605239066.db2.gz HHPMHFRHUVWSEK-AWEZNQCLSA-N -1 3 356.422 2.810 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2C[C@H](CNC(=O)[O-])C[C@H]2C)c1[O-] ZINC000833897410 605996131 /nfs/dbraw/zinc/99/61/31/605996131.db2.gz KEBLQMWGUXJOOI-MNOVXSKESA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@H]2C)c1[O-] ZINC000833897410 605996132 /nfs/dbraw/zinc/99/61/32/605996132.db2.gz KEBLQMWGUXJOOI-MNOVXSKESA-N -1 3 357.248 2.941 20 10 FFCDHM CCOc1ccc(N(CC)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821422469 606922837 /nfs/dbraw/zinc/92/28/37/606922837.db2.gz WTFKIEGCOIDNAC-GOSISDBHSA-N -1 3 353.426 2.825 20 10 FFCDHM CCOc1ccc(N(CC)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821422469 606922839 /nfs/dbraw/zinc/92/28/39/606922839.db2.gz WTFKIEGCOIDNAC-GOSISDBHSA-N -1 3 353.426 2.825 20 10 FFCDHM CCOC(=O)Nc1ccc(NCc2ccccc2O)cc1-c1nnn[n-]1 ZINC000825553765 609488608 /nfs/dbraw/zinc/48/86/08/609488608.db2.gz VXYAUQZPLQCIKS-UHFFFAOYSA-N -1 3 354.370 2.753 20 10 FFCDHM CCOC(=O)Nc1ccc(NCc2ccccc2O)cc1-c1nn[n-]n1 ZINC000825553765 609488611 /nfs/dbraw/zinc/48/86/11/609488611.db2.gz VXYAUQZPLQCIKS-UHFFFAOYSA-N -1 3 354.370 2.753 20 10 FFCDHM CN(c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1)S(C)(=O)=O ZINC000898284183 735336304 /nfs/dbraw/zinc/33/63/04/735336304.db2.gz HYQDHWAALFZDLI-UHFFFAOYSA-N -1 3 372.849 2.870 20 10 FFCDHM N=C1Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2[O-])N1 ZINC000054681265 728090911 /nfs/dbraw/zinc/09/09/11/728090911.db2.gz SKGQAVUQNZHGSE-CYBMUJFWSA-N -1 3 358.199 2.601 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3csc(C)n3)CC2)c1[O-] ZINC000079398648 728312416 /nfs/dbraw/zinc/31/24/16/728312416.db2.gz PDEJAZHNFIRNTA-UHFFFAOYSA-N -1 3 363.458 2.817 20 10 FFCDHM O=C(CN1CCN(Cc2cc(Cl)ccc2[O-])CC1)NC1CCCCC1 ZINC000093053844 728473638 /nfs/dbraw/zinc/47/36/38/728473638.db2.gz NLVONZXVSGWVCA-UHFFFAOYSA-N -1 3 365.905 2.612 20 10 FFCDHM CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(F)c1 ZINC000094158724 728479843 /nfs/dbraw/zinc/47/98/43/728479843.db2.gz CRUSSCDOZJODQG-UHFFFAOYSA-N -1 3 366.414 2.568 20 10 FFCDHM COC(=O)CN(Cc1cn2ccccc2n1)Cc1cc(Cl)ccc1[O-] ZINC000111238257 728535387 /nfs/dbraw/zinc/53/53/87/728535387.db2.gz PPOQCJUYPHELAJ-UHFFFAOYSA-N -1 3 359.813 2.869 20 10 FFCDHM CC(C)(C)CNC(=O)C(C)(C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000121092926 728620700 /nfs/dbraw/zinc/62/07/00/728620700.db2.gz SUDXWUBTLXAJHI-UHFFFAOYSA-N -1 3 357.838 2.984 20 10 FFCDHM COC(=O)CN(Cc1ccc(N(C)C)nc1)Cc1cc(Cl)ccc1[O-] ZINC000123220142 728656479 /nfs/dbraw/zinc/65/64/79/728656479.db2.gz BXUOQWGCNNGQFW-UHFFFAOYSA-N -1 3 363.845 2.682 20 10 FFCDHM O=S(=O)([N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1 ZINC000188729687 729391157 /nfs/dbraw/zinc/39/11/57/729391157.db2.gz ZCCCMJTWRBNMCB-LBPRGKRZSA-N -1 3 372.393 2.828 20 10 FFCDHM CCc1noc(C[C@@]2(O)CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000856595268 730346603 /nfs/dbraw/zinc/34/66/03/730346603.db2.gz RWPLCBLKLMOICP-KRWDZBQOSA-N -1 3 369.824 2.700 20 10 FFCDHM Cn1nccc1[C@H](O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000857063210 730376964 /nfs/dbraw/zinc/37/69/64/730376964.db2.gz SAWFNJRORJUXSL-QGZVFWFLSA-N -1 3 353.825 2.864 20 10 FFCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@]2(CCCOC2)O1 ZINC000862352591 730690920 /nfs/dbraw/zinc/69/09/20/730690920.db2.gz FIYMMCRYFJEINZ-LRDDRELGSA-N -1 3 356.260 2.925 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3cnccn3)CC2)c1 ZINC000781897643 738669377 /nfs/dbraw/zinc/66/93/77/738669377.db2.gz RRJOZPMLAJJCBS-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](C2OCCO2)C1 ZINC000893995360 734784085 /nfs/dbraw/zinc/78/40/85/734784085.db2.gz VLGTVFVHIUCVQI-JTQLQIEISA-N -1 3 360.223 2.879 20 10 FFCDHM CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1c([O-])cccc1F ZINC000895832474 735061323 /nfs/dbraw/zinc/06/13/23/735061323.db2.gz HKLJKPDXKGQUJE-UHFFFAOYSA-N -1 3 373.837 2.694 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn(C)nc2Br)c1 ZINC000903188494 736051777 /nfs/dbraw/zinc/05/17/77/736051777.db2.gz RSWLZFHKWHKFKQ-VIFPVBQESA-N -1 3 368.231 2.526 20 10 FFCDHM Cc1nnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000758357560 736479301 /nfs/dbraw/zinc/47/93/01/736479301.db2.gz UIZKYNGVUCNJFY-ZDUSSCGKSA-N -1 3 366.874 2.600 20 10 FFCDHM NC(=O)[C@H]1c2ccccc2CCN1Cc1cc(Br)ccc1[O-] ZINC000769188869 737505434 /nfs/dbraw/zinc/50/54/34/737505434.db2.gz LEOHQZJAZIDLBY-MRXNPFEDSA-N -1 3 361.239 2.739 20 10 FFCDHM NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(Br)ccc1[O-] ZINC000769188868 737505656 /nfs/dbraw/zinc/50/56/56/737505656.db2.gz LEOHQZJAZIDLBY-INIZCTEOSA-N -1 3 361.239 2.739 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncs1 ZINC000771056678 737689936 /nfs/dbraw/zinc/68/99/36/737689936.db2.gz GJTYWXYTRWPFCT-CYBMUJFWSA-N -1 3 351.859 2.897 20 10 FFCDHM COc1c([O-])c(CN2CCN(Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000774820765 738029939 /nfs/dbraw/zinc/02/99/39/738029939.db2.gz GINCFOTTYHGPJH-UHFFFAOYSA-N -1 3 363.439 2.688 20 10 FFCDHM C[C@]1(CNC(=O)NCc2c([O-])cccc2F)OCCc2sccc21 ZINC000922530317 738161835 /nfs/dbraw/zinc/16/18/35/738161835.db2.gz FOLGRBYBFGPFSY-QGZVFWFLSA-N -1 3 350.415 2.880 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2cccc(S(N)(=O)=O)c2)c1 ZINC000788451745 739246183 /nfs/dbraw/zinc/24/61/83/739246183.db2.gz PMZCWPKVKQJBOE-UHFFFAOYSA-N -1 3 371.256 2.723 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3COC(=O)N3)CC2)c1[O-] ZINC000932780280 739516647 /nfs/dbraw/zinc/51/66/47/739516647.db2.gz PQFIPPUBBDNLKO-HNNXBMFYSA-N -1 3 352.818 2.569 20 10 FFCDHM COC(=O)[C@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000795343140 740007047 /nfs/dbraw/zinc/00/70/47/740007047.db2.gz GXXXGQRMVURFGQ-CYBMUJFWSA-N -1 3 369.826 2.744 20 10 FFCDHM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000804231468 740855109 /nfs/dbraw/zinc/85/51/09/740855109.db2.gz QPTJYETXMOMWGF-CYBMUJFWSA-N -1 3 350.415 2.619 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817881472 742220385 /nfs/dbraw/zinc/22/03/85/742220385.db2.gz UONFTXXCQGCPKA-NXEZZACHSA-N -1 3 358.232 2.848 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817881472 742220387 /nfs/dbraw/zinc/22/03/87/742220387.db2.gz UONFTXXCQGCPKA-NXEZZACHSA-N -1 3 358.232 2.848 20 10 FFCDHM COC(=O)C[C@H]1CSCCN1Cc1ccc(Br)cc1[O-] ZINC000824855099 743165165 /nfs/dbraw/zinc/16/51/65/743165165.db2.gz GKPMWSYGMCEWIS-LBPRGKRZSA-N -1 3 360.273 2.635 20 10 FFCDHM [O-]c1c(Cl)cccc1CN(CCN1CCOCC1)Cc1ccco1 ZINC000825306053 743246126 /nfs/dbraw/zinc/24/61/26/743246126.db2.gz ZADPBWJRDBULHW-UHFFFAOYSA-N -1 3 350.846 2.973 20 10 FFCDHM C[C@H]1CCC[C@@H](C2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000829130921 745170427 /nfs/dbraw/zinc/17/04/27/745170427.db2.gz RVVRNRFTFHTQNY-QWHCGFSZSA-N -1 3 366.483 2.662 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)c1[O-] ZINC000846929378 748577910 /nfs/dbraw/zinc/57/79/10/748577910.db2.gz LEFVVBYWNODXBP-QGZVFWFLSA-N -1 3 364.873 2.985 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)c([O-])c1O ZINC000847078487 748615129 /nfs/dbraw/zinc/61/51/29/748615129.db2.gz JBUXHJMKQITMJC-UHFFFAOYSA-N -1 3 364.829 2.736 20 10 FFCDHM Nc1ccc(Br)c2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000390099618 845841464 /nfs/dbraw/zinc/84/14/64/845841464.db2.gz HEPGYKRPDKNMSZ-UHFFFAOYSA-N -1 3 363.211 2.641 20 10 FFCDHM Cc1cc(C(=O)N2CCC=C(F)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257871 947744730 /nfs/dbraw/zinc/74/47/30/947744730.db2.gz RDMBLHYUFJPFSI-UHFFFAOYSA-N -1 3 366.400 2.974 20 10 FFCDHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000286335780 959270145 /nfs/dbraw/zinc/27/01/45/959270145.db2.gz LRYAGGHICUSBQW-DYVFJYSZSA-N -1 3 374.462 2.987 20 10 FFCDHM O=C([O-])C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOCC1 ZINC001574638672 1078043565 /nfs/dbraw/zinc/04/35/65/1078043565.db2.gz OGJLGQJZTIXZBI-UHFFFAOYSA-N -1 3 371.433 2.942 20 10 FFCDHM Cc1cc([O-])c(CN2CC[C@](N)(C(F)(F)F)C2)cc1Br ZINC001206251359 1013547343 /nfs/dbraw/zinc/54/73/43/1013547343.db2.gz ORWLJBZSNJBZJN-GFCCVEGCSA-N -1 3 353.182 2.929 20 10 FFCDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c(O)c3O)c2)n1 ZINC000179434793 968764605 /nfs/dbraw/zinc/76/46/05/968764605.db2.gz GJKNSMOPLPEIRB-UHFFFAOYSA-N -1 3 365.389 2.971 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1ccccc1C ZINC000898729120 976648198 /nfs/dbraw/zinc/64/81/98/976648198.db2.gz DANMLEHKWXCNIC-MRXNPFEDSA-N -1 3 352.438 2.644 20 10 FFCDHM COc1ccc(N2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)cc1 ZINC000877912356 1014764261 /nfs/dbraw/zinc/76/42/61/1014764261.db2.gz RWRHMBGUCPYUAQ-UHFFFAOYSA-N -1 3 366.421 2.773 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000922330594 988431495 /nfs/dbraw/zinc/43/14/95/988431495.db2.gz UPDYMMBLBRTCHN-KGLIPLIRSA-N -1 3 363.433 2.512 20 10 FFCDHM Cn1nnc(-c2ccc(NCc3cc(Cl)c4cccnc4c3[O-])cn2)n1 ZINC001168524221 990492855 /nfs/dbraw/zinc/49/28/55/990492855.db2.gz XWQGEYOLVWGRAO-UHFFFAOYSA-N -1 3 367.800 2.791 20 10 FFCDHM COCCOc1cc(C)ccc1CNC(=O)NCc1c([O-])cccc1F ZINC000921400093 991075237 /nfs/dbraw/zinc/07/52/37/991075237.db2.gz NFYRJYIZEKMLLM-UHFFFAOYSA-N -1 3 362.401 2.864 20 10 FFCDHM COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c1 ZINC000179921164 991371587 /nfs/dbraw/zinc/37/15/87/991371587.db2.gz MLDCJERAEVUCNB-UHFFFAOYSA-N -1 3 374.412 2.507 20 10 FFCDHM [O-]c1cc(Br)cc(F)c1CN1CCNC[C@H]1C(F)(F)F ZINC001236978849 991975726 /nfs/dbraw/zinc/97/57/26/991975726.db2.gz ALCXDDACEPVSLB-NSHDSACASA-N -1 3 357.145 2.630 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC2(C1)CCCOC2 ZINC001237778247 992710216 /nfs/dbraw/zinc/71/02/16/992710216.db2.gz VMEXJXDPABXPSU-UHFFFAOYSA-N -1 3 359.207 2.609 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211278 994263707 /nfs/dbraw/zinc/26/37/07/994263707.db2.gz XACNJLKXROULIN-SUNYJGFJSA-N -1 3 368.433 2.931 20 10 FFCDHM C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211276 994263834 /nfs/dbraw/zinc/26/38/34/994263834.db2.gz XACNJLKXROULIN-IYOUNJFTSA-N -1 3 368.433 2.931 20 10 FFCDHM COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C(=O)[O-])cc1 ZINC001599532128 997674268 /nfs/dbraw/zinc/67/42/68/997674268.db2.gz OPPRZUWALLPXOW-OAHLLOKOSA-N -1 3 351.786 2.978 20 10 FFCDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2cc(O)c(O)cc2s1 ZINC001169581403 1000062322 /nfs/dbraw/zinc/06/23/22/1000062322.db2.gz PBKSAMAJORCNCH-UHFFFAOYSA-N -1 3 353.363 2.745 20 10 FFCDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2cc(O)c(O)cc2s1 ZINC001169581403 1000062324 /nfs/dbraw/zinc/06/23/24/1000062324.db2.gz PBKSAMAJORCNCH-UHFFFAOYSA-N -1 3 353.363 2.745 20 10 FFCDHM N=C(NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1F ZINC001148224855 1001076320 /nfs/dbraw/zinc/07/63/20/1001076320.db2.gz XNQGNBBNEGMQAV-UHFFFAOYSA-N -1 3 353.147 2.755 20 10 FFCDHM COc1cccc(C(F)(F)F)c1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590224 1001176796 /nfs/dbraw/zinc/17/67/96/1001176796.db2.gz ZZIDDFKZZWNWTR-UHFFFAOYSA-N -1 3 357.284 2.761 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790792666 1002492549 /nfs/dbraw/zinc/49/25/49/1002492549.db2.gz GBTOQNFUDUIELZ-JSGCOSHPSA-N -1 3 364.442 2.911 20 10 FFCDHM C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000790887745 1002509017 /nfs/dbraw/zinc/50/90/17/1002509017.db2.gz MPTRSVWVLYPFKU-JSGCOSHPSA-N -1 3 364.442 2.863 20 10 FFCDHM O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000790894359 1002509625 /nfs/dbraw/zinc/50/96/25/1002509625.db2.gz LDRMLAUZVGJLCV-GFCCVEGCSA-N -1 3 369.339 2.698 20 10 FFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000790904977 1002516045 /nfs/dbraw/zinc/51/60/45/1002516045.db2.gz NAVNFLZHRWRXRD-WMZOPIPTSA-N -1 3 366.421 2.796 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1[nH]c(=O)ccc1Cl ZINC001184815596 1002727274 /nfs/dbraw/zinc/72/72/74/1002727274.db2.gz FGWVBYWNFGBYJH-UHFFFAOYSA-N -1 3 364.188 2.704 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)cc1F ZINC001186087600 1003182647 /nfs/dbraw/zinc/18/26/47/1003182647.db2.gz LYOPFNJLQMUMNW-UHFFFAOYSA-N -1 3 361.801 2.558 20 10 FFCDHM CCOC(=O)[C@H]1CN(Cc2cc(Br)ccc2[O-])CCS1 ZINC001203649769 1003478016 /nfs/dbraw/zinc/47/80/16/1003478016.db2.gz FXGWECGLRHKDJB-CYBMUJFWSA-N -1 3 360.273 2.635 20 10 FFCDHM CC(C)(C)C(=O)CN1CCC(NC(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193633829 1004530145 /nfs/dbraw/zinc/53/01/45/1004530145.db2.gz IDQJCQRMYMVQGY-UHFFFAOYSA-N -1 3 368.861 2.561 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cccc(Cl)n1 ZINC001198245706 1004548468 /nfs/dbraw/zinc/54/84/68/1004548468.db2.gz IFCDXNHEXVBJOW-UHFFFAOYSA-N -1 3 351.859 2.814 20 10 FFCDHM Cc1nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(=O)[nH]c1C ZINC001193975856 1004623473 /nfs/dbraw/zinc/62/34/73/1004623473.db2.gz LUKXFSSBFAMRLJ-UHFFFAOYSA-N -1 3 358.785 2.636 20 10 FFCDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)ccc2O1 ZINC000106007346 1005219739 /nfs/dbraw/zinc/21/97/39/1005219739.db2.gz CTPVWFQMYUVLPZ-AWEZNQCLSA-N -1 3 374.462 2.647 20 10 FFCDHM COc1ccc(N2CC[C@H](NC(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000852452587 1006032429 /nfs/dbraw/zinc/03/24/29/1006032429.db2.gz BNGUSRDEUGPOCQ-AWEZNQCLSA-N -1 3 359.401 2.618 20 10 FFCDHM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000818639270 1007957850 /nfs/dbraw/zinc/95/78/50/1007957850.db2.gz JVLYBCUNERSJGY-BLLLJJGKSA-N -1 3 372.396 2.719 20 10 FFCDHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cccc(O)c1[O-] ZINC001136466242 1008474616 /nfs/dbraw/zinc/47/46/16/1008474616.db2.gz LQWJKZKMPLEDEH-UHFFFAOYSA-N -1 3 356.378 2.595 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H](CO)c1ccccc1 ZINC001181927581 1010308653 /nfs/dbraw/zinc/30/86/53/1010308653.db2.gz RNWSHFFWMRRRHG-OAHLLOKOSA-N -1 3 356.809 2.986 20 10 FFCDHM Cc1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c(C)n1-c1ccc(F)cc1 ZINC000752778724 1023204204 /nfs/dbraw/zinc/20/42/04/1023204204.db2.gz ZLGLDASUGJBDHM-UHFFFAOYSA-N -1 3 366.396 2.927 20 10 FFCDHM O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000752993871 1023245538 /nfs/dbraw/zinc/24/55/38/1023245538.db2.gz CQYADQXBYRCAAG-CQSZACIVSA-N -1 3 362.426 2.761 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn(-c3ccccc3)nn2)c1 ZINC000756742821 1023751752 /nfs/dbraw/zinc/75/17/52/1023751752.db2.gz PJOMIUYNLVOXGO-ZDUSSCGKSA-N -1 3 352.394 2.610 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000757619597 1023838967 /nfs/dbraw/zinc/83/89/67/1023838967.db2.gz RBJNPXNJNDXKAU-SWLSCSKDSA-N -1 3 354.406 2.955 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc2nncn21 ZINC001156070271 1029034735 /nfs/dbraw/zinc/03/47/35/1029034735.db2.gz IZGVJBOAYOGOFM-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM COC[C@@H]1Cn2nccc2CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203642242 1030802211 /nfs/dbraw/zinc/80/22/11/1030802211.db2.gz GEKOESAVPPXPBC-LBPRGKRZSA-N -1 3 366.259 2.630 20 10 FFCDHM CC(C)C(=O)N1CCC[C@]2(CN(Cc3cc(Cl)ccc3[O-])CCO2)C1 ZINC001203659549 1030814751 /nfs/dbraw/zinc/81/47/51/1030814751.db2.gz WVCOKVHTKHMAQF-IBGZPJMESA-N -1 3 366.889 2.895 20 10 FFCDHM C=CC(=O)OC[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380459 1034659267 /nfs/dbraw/zinc/65/92/67/1034659267.db2.gz VULRYZLUDCHJGT-NSHDSACASA-N -1 3 352.342 2.664 20 10 FFCDHM CC(=O)N1CCC[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380191 1034660149 /nfs/dbraw/zinc/66/01/49/1034660149.db2.gz PGVGAAFOUBHPNU-ZDUSSCGKSA-N -1 3 365.385 2.557 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c(F)ccc(F)c2[O-])N1Cc1cccnc1 ZINC001139682103 1035197261 /nfs/dbraw/zinc/19/72/61/1035197261.db2.gz OXAIWJSSOJPLDM-QZTJIDSGSA-N -1 3 373.403 2.831 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001140055354 1035324769 /nfs/dbraw/zinc/32/47/69/1035324769.db2.gz FAJCLGWSFJUNCH-RYQLBKOJSA-N -1 3 362.376 2.876 20 10 FFCDHM O=C(c1noc2c1CN(Cc1ccc(Cl)cc1[O-])CC2)N1CCCC1 ZINC001140465913 1035485480 /nfs/dbraw/zinc/48/54/80/1035485480.db2.gz VUQLNENQBFOYMP-UHFFFAOYSA-N -1 3 361.829 2.828 20 10 FFCDHM COC(=O)c1cccc2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000835070373 1035506719 /nfs/dbraw/zinc/50/67/19/1035506719.db2.gz TWCOZYOCUJOUGQ-UHFFFAOYSA-N -1 3 372.377 2.654 20 10 FFCDHM COCCOc1ccc(N2CCN(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC001140503369 1035525344 /nfs/dbraw/zinc/52/53/44/1035525344.db2.gz XWMJWLPVODUUJB-UHFFFAOYSA-N -1 3 370.449 2.732 20 10 FFCDHM CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCN(C(C)C)C2)c1[O-] ZINC001227494112 1035582868 /nfs/dbraw/zinc/58/28/68/1035582868.db2.gz PIKZNHBOXKLMPL-LLVKDONJSA-N -1 3 371.455 2.669 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001140581393 1035661628 /nfs/dbraw/zinc/66/16/28/1035661628.db2.gz QYDQZJNNLIDBSL-LJQANCHMSA-N -1 3 360.408 2.953 20 10 FFCDHM COc1cc([O-])c(CN2CCC(F)(F)[C@@H](CO)C2)cc1Br ZINC001233134843 1036383598 /nfs/dbraw/zinc/38/35/98/1036383598.db2.gz FZAFQYPTUZAGDJ-SNVBAGLBSA-N -1 3 366.202 2.613 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](C)[C@@H]2CO)c1 ZINC001233306570 1036512017 /nfs/dbraw/zinc/51/20/17/1036512017.db2.gz VIKSNZMIXUOTIQ-HZMBPMFUSA-N -1 3 372.259 2.534 20 10 FFCDHM CCOC(=O)[C@H](CC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192606 1036542992 /nfs/dbraw/zinc/54/29/92/1036542992.db2.gz QDDRDKBPQIYHLY-AWEZNQCLSA-N -1 3 354.358 2.888 20 10 FFCDHM COc1cnc(O[C@H]2CCN(Cc3cccc(C(F)(F)F)c3[O-])C2)nc1 ZINC001233419562 1036613962 /nfs/dbraw/zinc/61/39/62/1036613962.db2.gz DBGQLYXYQRJLIS-LBPRGKRZSA-N -1 3 369.343 2.863 20 10 FFCDHM Cc1cc(O[C@H]2C(=O)OCC2(C)C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542501 1036728488 /nfs/dbraw/zinc/72/84/88/1036728488.db2.gz NTJJCCZCNHGQHB-IBGZPJMESA-N -1 3 366.369 2.806 20 10 FFCDHM Cc1cc(O[C@H]2CO[C@H]3OCC[C@@H]23)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229541905 1036728963 /nfs/dbraw/zinc/72/89/63/1036728963.db2.gz IMBJYFMSCYQUEG-SBOBAANCSA-N -1 3 366.369 2.616 20 10 FFCDHM Cc1cc(OC(=O)CCC[C@@H](C)O)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229540156 1036730671 /nfs/dbraw/zinc/73/06/71/1036730671.db2.gz BYMPXWZXXPQXTH-GFCCVEGCSA-N -1 3 368.385 2.933 20 10 FFCDHM C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1cncnc1 ZINC001234748943 1037163869 /nfs/dbraw/zinc/16/38/69/1037163869.db2.gz OEMMIANTQFVXRP-SECBINFHSA-N -1 3 366.329 2.993 20 10 FFCDHM C=CC(=O)OC[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234746731 1037164664 /nfs/dbraw/zinc/16/46/64/1037164664.db2.gz DIAKZHHCAPAAGB-SECBINFHSA-N -1 3 372.329 2.560 20 10 FFCDHM COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235069999 1037339844 /nfs/dbraw/zinc/33/98/44/1037339844.db2.gz ZGTHSJAIZQEIHQ-ONGXEEELSA-N -1 3 360.223 2.925 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c([O-])c1 ZINC001231451426 1037591992 /nfs/dbraw/zinc/59/19/92/1037591992.db2.gz YLAKARWXUDOGHW-UHFFFAOYSA-N -1 3 368.437 2.515 20 10 FFCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231560271 1037684202 /nfs/dbraw/zinc/68/42/02/1037684202.db2.gz DXKBEJPNXSNPHF-CYBMUJFWSA-N -1 3 364.442 2.922 20 10 FFCDHM C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231563521 1037686818 /nfs/dbraw/zinc/68/68/18/1037686818.db2.gz BZZFKLCOMDZUAA-SWLSCSKDSA-N -1 3 364.442 2.968 20 10 FFCDHM Cc1nc(CN2CCC3(CN(Cc4cc(C(=O)[O-])ccc4O)C3)C2)cs1 ZINC001231563143 1037686877 /nfs/dbraw/zinc/68/68/77/1037686877.db2.gz HEMYCXHTUQGINK-UHFFFAOYSA-N -1 3 373.478 2.563 20 10 FFCDHM N[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@@H]1F ZINC001235907479 1037825074 /nfs/dbraw/zinc/82/50/74/1037825074.db2.gz YDGJHKKDIVUBLE-VHSXEESVSA-N -1 3 357.145 2.655 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001231869739 1037964435 /nfs/dbraw/zinc/96/44/35/1037964435.db2.gz XKUDXIWHALRIQT-UONOGXRCSA-N -1 3 370.877 2.814 20 10 FFCDHM COC[C@H]1Cn2ccnc2CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236796730 1038276838 /nfs/dbraw/zinc/27/68/38/1038276838.db2.gz YLVHZXNLUXGLDT-GFCCVEGCSA-N -1 3 351.834 2.529 20 10 FFCDHM COC[C@H]1Cn2nccc2CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236798281 1038277726 /nfs/dbraw/zinc/27/77/26/1038277726.db2.gz FKTIJVUAYACXTJ-GFCCVEGCSA-N -1 3 351.834 2.529 20 10 FFCDHM CN(c1ccc([O-])c(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001209986194 1039318908 /nfs/dbraw/zinc/31/89/08/1039318908.db2.gz SRKDNYVFPUTJOG-UHFFFAOYSA-N -1 3 360.357 2.959 20 10 FFCDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(O)c(C)c3C)ccc21 ZINC001260797929 1040803649 /nfs/dbraw/zinc/80/36/49/1040803649.db2.gz YIQJLACOKGRDSW-UHFFFAOYSA-N -1 3 360.435 2.719 20 10 FFCDHM O=C(NCC(F)(F)F)N1CCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001278558212 1041151762 /nfs/dbraw/zinc/15/17/62/1041151762.db2.gz HEYSQJGLDXFUFR-UHFFFAOYSA-N -1 3 363.767 2.578 20 10 FFCDHM COc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc(OC)c1OC ZINC001215327898 1041740252 /nfs/dbraw/zinc/74/02/52/1041740252.db2.gz ZDQQGTVNOPJORG-UHFFFAOYSA-N -1 3 360.322 2.546 20 10 FFCDHM Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c([O-])ccc(F)c2F)n(C)n1 ZINC001279490198 1043176539 /nfs/dbraw/zinc/17/65/39/1043176539.db2.gz QITRTFXOVFQLQK-OKILXGFUSA-N -1 3 362.424 2.561 20 10 FFCDHM C[C@H]1CN(Cc2cccc(I)c2[O-])CC[C@@]1(C)O ZINC001237775056 1043349914 /nfs/dbraw/zinc/34/99/14/1043349914.db2.gz BUCREQYEOSJRER-IINYFYTJSA-N -1 3 361.223 2.590 20 10 FFCDHM Cc1cc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)nc(C)n1 ZINC001237938062 1043444385 /nfs/dbraw/zinc/44/43/85/1043444385.db2.gz XHYYMBBJUKGKCA-UHFFFAOYSA-N -1 3 350.825 2.914 20 10 FFCDHM COC(=O)CN(Cc1cccnc1N(C)C)Cc1cc(Cl)ccc1[O-] ZINC001323652152 1045670756 /nfs/dbraw/zinc/67/07/56/1045670756.db2.gz MOIUQKQTSNZKKZ-UHFFFAOYSA-N -1 3 363.845 2.682 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCO[C@@](C)(C2CC2)C1 ZINC001340096291 1050500096 /nfs/dbraw/zinc/50/00/96/1050500096.db2.gz YXTKQVCERNKXJX-GOSISDBHSA-N -1 3 371.466 2.803 20 10 FFCDHM CCOC(=O)[C@]1(F)CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC12CCC2 ZINC001460406455 1060987795 /nfs/dbraw/zinc/98/77/95/1060987795.db2.gz UUHBIAMQMUXBQV-LJQANCHMSA-N -1 3 367.392 2.991 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@]2(CCOC2)C1 ZINC001521587784 1060993697 /nfs/dbraw/zinc/99/36/97/1060993697.db2.gz LWRPBGACYQIXLD-GOSISDBHSA-N -1 3 371.466 2.897 20 10 FFCDHM COC(=O)Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001476764324 1061475141 /nfs/dbraw/zinc/47/51/41/1061475141.db2.gz NEMWKRGNUQTBNC-UHFFFAOYSA-N -1 3 350.321 2.708 20 10 FFCDHM CCOc1ccnc(N2CCCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001474353876 1065501736 /nfs/dbraw/zinc/50/17/36/1065501736.db2.gz XHFFNHKEUNWLCA-UHFFFAOYSA-N -1 3 364.396 2.571 20 10 FFCDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001580035498 1078735796 /nfs/dbraw/zinc/73/57/96/1078735796.db2.gz XYCFKQRCNLMNEO-UHFFFAOYSA-N -1 3 372.816 2.604 20 10 FFCDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001580035498 1078735800 /nfs/dbraw/zinc/73/58/00/1078735800.db2.gz XYCFKQRCNLMNEO-UHFFFAOYSA-N -1 3 372.816 2.604 20 10 FFCDHM C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953357 1080900417 /nfs/dbraw/zinc/90/04/17/1080900417.db2.gz FNPXASHEQRHILA-OLZOCXBDSA-N -1 3 368.416 2.641 20 10 FFCDHM CC(C)OCCOC[C@@H](O)CN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092473496 508073594 /nfs/dbraw/zinc/07/35/94/508073594.db2.gz XRFYSPVBQWYYFN-AWEZNQCLSA-N -1 3 366.285 2.933 20 10 FFCDHM CCN1CCN([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000093133024 508122894 /nfs/dbraw/zinc/12/28/94/508122894.db2.gz AQXPADJNTNFNPQ-OAHLLOKOSA-N -1 3 358.313 2.911 20 10 FFCDHM O=C1NCCCN1C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093668726 508153193 /nfs/dbraw/zinc/15/31/93/508153193.db2.gz UKZQMRJAIFGDRA-UHFFFAOYSA-N -1 3 368.275 2.534 20 10 FFCDHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000094122316 508169445 /nfs/dbraw/zinc/16/94/45/508169445.db2.gz QTSDOVQGGCLQIK-VXGBXAGGSA-N -1 3 354.472 2.803 20 10 FFCDHM COC(=O)CN(CCCn1ccnc1C)Cc1cc(Cl)ccc1[O-] ZINC000127434485 508449571 /nfs/dbraw/zinc/44/95/71/508449571.db2.gz XZTMFPFJOMJTOO-UHFFFAOYSA-N -1 3 351.834 2.616 20 10 FFCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2C[C@@H]1C ZINC000136487115 508697241 /nfs/dbraw/zinc/69/72/41/508697241.db2.gz ZZGOITKOLSZSCC-LBPRGKRZSA-N -1 3 360.435 2.799 20 10 FFCDHM COc1ccc(CN2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1F ZINC000179392841 509419615 /nfs/dbraw/zinc/41/96/15/509419615.db2.gz BXRORLZUSFIKKY-UHFFFAOYSA-N -1 3 374.412 2.512 20 10 FFCDHM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)nc1 ZINC000267554005 509539350 /nfs/dbraw/zinc/53/93/50/509539350.db2.gz DPXAPCBXTBNQJO-AWEZNQCLSA-N -1 3 369.421 2.601 20 10 FFCDHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000176530250 509566235 /nfs/dbraw/zinc/56/62/35/509566235.db2.gz ZXVUUTFPSZBBML-BBRMVZONSA-N -1 3 374.462 2.782 20 10 FFCDHM CCS(=O)(=O)CCN(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183095940 509593642 /nfs/dbraw/zinc/59/36/42/509593642.db2.gz DSLCYBDCETUOFM-UHFFFAOYSA-N -1 3 363.479 2.838 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000180560378 509984036 /nfs/dbraw/zinc/98/40/36/509984036.db2.gz DGUSYHMOSKYJFK-DZGCQCFKSA-N -1 3 372.259 2.543 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1nc(C)n(C)n1 ZINC000297320855 510901981 /nfs/dbraw/zinc/90/19/81/510901981.db2.gz HDBBZVDAOUGCNF-UHFFFAOYSA-N -1 3 368.235 2.646 20 10 FFCDHM C[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863355 510948400 /nfs/dbraw/zinc/94/84/00/510948400.db2.gz CXPAHJXESJQDLV-CLAHSXSESA-N -1 3 365.302 2.505 20 10 FFCDHM C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863355 510948402 /nfs/dbraw/zinc/94/84/02/510948402.db2.gz CXPAHJXESJQDLV-CLAHSXSESA-N -1 3 365.302 2.505 20 10 FFCDHM C[C@@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276907079 510949678 /nfs/dbraw/zinc/94/96/78/510949678.db2.gz OGTXLPTWSLGSIX-PXAZEXFGSA-N -1 3 373.384 2.891 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277063831 510953227 /nfs/dbraw/zinc/95/32/27/510953227.db2.gz WKQYRYYIGQYPBG-AWEZNQCLSA-N -1 3 367.829 2.506 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCNc1ccccn1 ZINC000277448099 510963646 /nfs/dbraw/zinc/96/36/46/510963646.db2.gz SPUMCMPCIKBXHO-UHFFFAOYSA-N -1 3 374.828 2.707 20 10 FFCDHM COc1c([O-])c(CN(CCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225543 510984850 /nfs/dbraw/zinc/98/48/50/510984850.db2.gz MDCKQLLAIWXZHZ-MRXNPFEDSA-N -1 3 358.394 2.791 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(N3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278947494 511014623 /nfs/dbraw/zinc/01/46/23/511014623.db2.gz YVNKKVXLYMVEEZ-UHFFFAOYSA-N -1 3 358.398 2.594 20 10 FFCDHM CCOC(=O)C(C)(C)c1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000288141131 511066285 /nfs/dbraw/zinc/06/62/85/511066285.db2.gz IZTJTUXTXBAGEP-UHFFFAOYSA-N -1 3 350.396 2.647 20 10 FFCDHM COc1cc(CNCc2cc(Cl)c(F)cc2[O-])ccc1OCCO ZINC000294472239 511075857 /nfs/dbraw/zinc/07/58/57/511075857.db2.gz ZMZMPHXYNBQISB-UHFFFAOYSA-N -1 3 355.793 2.854 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC000364806233 511091020 /nfs/dbraw/zinc/09/10/20/511091020.db2.gz HAMZOHZZPHGYRY-UHFFFAOYSA-N -1 3 366.215 2.534 20 10 FFCDHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271399594 511191745 /nfs/dbraw/zinc/19/17/45/511191745.db2.gz NJDSMVSHFRDMMS-WFASDCNBSA-N -1 3 354.472 2.805 20 10 FFCDHM C[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439969 511526584 /nfs/dbraw/zinc/52/65/84/511526584.db2.gz MPWSWBSCARVTJP-OTYXRUKQSA-N -1 3 363.767 2.880 20 10 FFCDHM [O-]c1cccc(Cl)c1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000274086501 511714827 /nfs/dbraw/zinc/71/48/27/511714827.db2.gz OTIQDRIUKMEBAF-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM CCOC(=O)C1(COC)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000373813490 512517791 /nfs/dbraw/zinc/51/77/91/512517791.db2.gz UGRLRZDEZMBZJD-UHFFFAOYSA-N -1 3 367.417 2.526 20 10 FFCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000367530137 512545289 /nfs/dbraw/zinc/54/52/89/512545289.db2.gz AKOPIEHGIQEOIS-OAHLLOKOSA-N -1 3 363.307 2.661 20 10 FFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000376009290 512614006 /nfs/dbraw/zinc/61/40/06/512614006.db2.gz WNBTYBGXBRXQSF-ZBEGNZNMSA-N -1 3 372.259 2.543 20 10 FFCDHM Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c([O-])c1O ZINC000367880921 512704011 /nfs/dbraw/zinc/70/40/11/512704011.db2.gz WGHDNQFXALRQNX-UHFFFAOYSA-N -1 3 369.421 2.833 20 10 FFCDHM C[C@H](c1ccccc1)[N@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000833549233 605077301 /nfs/dbraw/zinc/07/73/01/605077301.db2.gz PLBAUQQWGFOGQP-OAHLLOKOSA-N -1 3 356.422 2.546 20 10 FFCDHM C[C@H](c1ccccc1)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000833549233 605077307 /nfs/dbraw/zinc/07/73/07/605077307.db2.gz PLBAUQQWGFOGQP-OAHLLOKOSA-N -1 3 356.422 2.546 20 10 FFCDHM O=C([O-])N(CC1CC1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000834062413 605612068 /nfs/dbraw/zinc/61/20/68/605612068.db2.gz IVBJUKGZKGHHSW-UHFFFAOYSA-N -1 3 373.497 2.878 20 10 FFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821828158 606912189 /nfs/dbraw/zinc/91/21/89/606912189.db2.gz RIOMCGWMDQIXBC-UHFFFAOYSA-N -1 3 357.389 2.920 20 10 FFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821828158 606912190 /nfs/dbraw/zinc/91/21/90/606912190.db2.gz RIOMCGWMDQIXBC-UHFFFAOYSA-N -1 3 357.389 2.920 20 10 FFCDHM CN(C(=O)C=Cc1cncc(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569809 606962964 /nfs/dbraw/zinc/96/29/64/606962964.db2.gz WODZEUXLEUNZQR-GORDUTHDSA-N -1 3 358.764 2.730 20 10 FFCDHM CN(C(=O)C=Cc1cncc(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569809 606962966 /nfs/dbraw/zinc/96/29/66/606962966.db2.gz WODZEUXLEUNZQR-GORDUTHDSA-N -1 3 358.764 2.730 20 10 FFCDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1F ZINC000825879428 607840595 /nfs/dbraw/zinc/84/05/95/607840595.db2.gz NEMVVEXBMREFSY-UHFFFAOYSA-N -1 3 357.349 2.592 20 10 FFCDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826511073 608076803 /nfs/dbraw/zinc/07/68/03/608076803.db2.gz AXNWLJSARMDKMP-AWEZNQCLSA-N -1 3 369.400 2.897 20 10 FFCDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826511073 608076804 /nfs/dbraw/zinc/07/68/04/608076804.db2.gz AXNWLJSARMDKMP-AWEZNQCLSA-N -1 3 369.400 2.897 20 10 FFCDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826511074 608076850 /nfs/dbraw/zinc/07/68/50/608076850.db2.gz AXNWLJSARMDKMP-CQSZACIVSA-N -1 3 369.400 2.897 20 10 FFCDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826511074 608076851 /nfs/dbraw/zinc/07/68/51/608076851.db2.gz AXNWLJSARMDKMP-CQSZACIVSA-N -1 3 369.400 2.897 20 10 FFCDHM COC(=O)c1cc2n(n1)CCC[C@H]2NCc1c([O-])ccc(Cl)c1F ZINC000897987785 735300560 /nfs/dbraw/zinc/30/05/60/735300560.db2.gz UJKQONOYJYCNSA-LLVKDONJSA-N -1 3 353.781 2.793 20 10 FFCDHM CCCC1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000055433638 728096820 /nfs/dbraw/zinc/09/68/20/728096820.db2.gz YBETVDPEKWIHHF-UHFFFAOYSA-N -1 3 354.472 2.852 20 10 FFCDHM CC(C)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093919991 728478705 /nfs/dbraw/zinc/47/87/05/728478705.db2.gz PURQEIZAXWMGDJ-UHFFFAOYSA-N -1 3 362.451 2.815 20 10 FFCDHM CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000094106677 728479627 /nfs/dbraw/zinc/47/96/27/728479627.db2.gz DGEVYBAUFFAGDU-UHFFFAOYSA-N -1 3 366.414 2.568 20 10 FFCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)C3CC3)cc2)cc1 ZINC000171328765 729002382 /nfs/dbraw/zinc/00/23/82/729002382.db2.gz RPIYTNFDNKIYGM-UHFFFAOYSA-N -1 3 366.464 2.700 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2cscn2)CC1 ZINC000862231194 730678842 /nfs/dbraw/zinc/67/88/42/730678842.db2.gz DZZNKVLIROEMSU-UHFFFAOYSA-N -1 3 368.300 2.929 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1c([O-])cccc1Br ZINC000862338221 730689798 /nfs/dbraw/zinc/68/97/98/730689798.db2.gz MYUCPDFFDVPHND-RWSFTLGLSA-N -1 3 354.244 2.928 20 10 FFCDHM COCCN(Cc1ccnn1C)Cc1c([O-])cccc1Br ZINC000862351707 730690926 /nfs/dbraw/zinc/69/09/26/730690926.db2.gz RMCZDYKFMWRCBQ-UHFFFAOYSA-N -1 3 354.248 2.537 20 10 FFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@]2(CCCOC2)O1 ZINC000862352593 730690943 /nfs/dbraw/zinc/69/09/43/730690943.db2.gz FIYMMCRYFJEINZ-WBMJQRKESA-N -1 3 356.260 2.925 20 10 FFCDHM CCOC(=O)[C@@H](NCc1cc(F)ccc1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000862427766 730701325 /nfs/dbraw/zinc/70/13/25/730701325.db2.gz GGLJQVDYECMQAY-DLBZAZTESA-N -1 3 367.804 2.940 20 10 FFCDHM O=C1N[C@@H](c2cc(Br)ccc2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877856099 732445306 /nfs/dbraw/zinc/44/53/06/732445306.db2.gz OFUFIOZLKSMKQZ-JKSUJKDBSA-N -1 3 359.223 2.883 20 10 FFCDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781913395 738672248 /nfs/dbraw/zinc/67/22/48/738672248.db2.gz TYDYQKINHZCVRT-GFCCVEGCSA-N -1 3 374.300 2.944 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCCC3)C2)c1 ZINC000783848540 738841720 /nfs/dbraw/zinc/84/17/20/738841720.db2.gz UECOCLVCPNWDGV-UHFFFAOYSA-N -1 3 352.456 2.560 20 10 FFCDHM CCc1nnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000784178448 738866587 /nfs/dbraw/zinc/86/65/87/738866587.db2.gz JMEGRBBJNTUGQR-UHFFFAOYSA-N -1 3 355.847 2.635 20 10 FFCDHM [O-]c1cc(Br)ccc1CNC1(c2ncccn2)CCOCC1 ZINC000897360195 735224936 /nfs/dbraw/zinc/22/49/36/735224936.db2.gz AKKWYOWPCJFJPP-UHFFFAOYSA-N -1 3 364.243 2.740 20 10 FFCDHM O=S(=O)(c1ccccc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768152368 737401927 /nfs/dbraw/zinc/40/19/27/737401927.db2.gz MUBRKSDLQWNMQE-UHFFFAOYSA-N -1 3 366.870 2.552 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cccc(OC)c1O ZINC000769379091 737522592 /nfs/dbraw/zinc/52/25/92/737522592.db2.gz ILKJQNLEPPUSBC-UHFFFAOYSA-N -1 3 365.813 2.935 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000769655380 737550994 /nfs/dbraw/zinc/55/09/94/737550994.db2.gz ZOMURXTXLGQBDA-HNNXBMFYSA-N -1 3 366.464 2.706 20 10 FFCDHM CNC(=O)CCOC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000770286687 737612351 /nfs/dbraw/zinc/61/23/51/737612351.db2.gz PWFZZRLNYHUJAU-UHFFFAOYSA-N -1 3 361.269 2.816 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCOC2(CCSCC2)C1 ZINC000921557166 738002067 /nfs/dbraw/zinc/00/20/67/738002067.db2.gz SNEBALLXOHLBKW-LBPRGKRZSA-N -1 3 354.447 2.775 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776254161 738174632 /nfs/dbraw/zinc/17/46/32/738174632.db2.gz KHPWPBKUPLNVJH-UHFFFAOYSA-N -1 3 357.336 2.651 20 10 FFCDHM COCCN(Cc1ccnn1C)Cc1cc(Br)ccc1[O-] ZINC000787331342 739128043 /nfs/dbraw/zinc/12/80/43/739128043.db2.gz IYPZDRUDEBOEPA-UHFFFAOYSA-N -1 3 354.248 2.537 20 10 FFCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCCN1Cc1ccccn1 ZINC000790986160 739521547 /nfs/dbraw/zinc/52/15/47/739521547.db2.gz IASPFKZQDJZZKA-HNNXBMFYSA-N -1 3 363.820 2.861 20 10 FFCDHM CCOC(=O)[C@]1(COC)CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798963601 740377899 /nfs/dbraw/zinc/37/78/99/740377899.db2.gz HVTLREPMCBQBPH-QGZVFWFLSA-N -1 3 359.825 2.976 20 10 FFCDHM CCOC(=O)[C@]1(COC)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000798963327 740377964 /nfs/dbraw/zinc/37/79/64/740377964.db2.gz CSESWOQVXKJCPA-QGZVFWFLSA-N -1 3 359.825 2.976 20 10 FFCDHM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000804231469 740855266 /nfs/dbraw/zinc/85/52/66/740855266.db2.gz QPTJYETXMOMWGF-ZDUSSCGKSA-N -1 3 350.415 2.619 20 10 FFCDHM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812419176 741619317 /nfs/dbraw/zinc/61/93/17/741619317.db2.gz IJAMHXCDKABWAK-QWHCGFSZSA-N -1 3 370.471 2.594 20 10 FFCDHM O=Cc1c[nH]c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000815835464 741964655 /nfs/dbraw/zinc/96/46/55/741964655.db2.gz URJWAHCUIFAXMG-OAHLLOKOSA-N -1 3 361.829 2.581 20 10 FFCDHM O=C(CN(Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000816515846 742036887 /nfs/dbraw/zinc/03/68/87/742036887.db2.gz MPIPNLMMMWNHPX-CQSZACIVSA-N -1 3 370.852 2.788 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1coc(CO)c1 ZINC000821064539 742582702 /nfs/dbraw/zinc/58/27/02/742582702.db2.gz CWTWXCVOOZQGKX-OAHLLOKOSA-N -1 3 364.829 2.525 20 10 FFCDHM CCOCc1nc([C@H](C)NCc2ccc(Br)cc2[O-])no1 ZINC000825948652 743347562 /nfs/dbraw/zinc/34/75/62/743347562.db2.gz HMJLPJFZWFQESV-VIFPVBQESA-N -1 3 356.220 2.925 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3nccn3C)CC2)c1 ZINC000827885175 744996718 /nfs/dbraw/zinc/99/67/18/744996718.db2.gz SLBQBZPKVMWAAK-UHFFFAOYSA-N -1 3 365.275 2.519 20 10 FFCDHM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000829130919 745170405 /nfs/dbraw/zinc/17/04/05/745170405.db2.gz RVVRNRFTFHTQNY-CHWSQXEVSA-N -1 3 366.483 2.662 20 10 FFCDHM Cc1cc([O-])c(CN(CCO)CCNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840937113 747235047 /nfs/dbraw/zinc/23/50/47/747235047.db2.gz HRCSZSVZZZTJKN-UHFFFAOYSA-N -1 3 358.866 2.673 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840949974 747239233 /nfs/dbraw/zinc/23/92/33/747239233.db2.gz DNTALATWLFWEHJ-DEOSSOPVSA-N -1 3 373.902 2.630 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCn3ncc(Br)c3C2)c1[O-] ZINC000852626930 749907513 /nfs/dbraw/zinc/90/75/13/749907513.db2.gz YHZAAIOLUJGNNE-UHFFFAOYSA-N -1 3 368.206 2.709 20 10 FFCDHM COCCN(Cc1ccccc1-c1nnn[n-]1)c1ccc(OC)c(OC)c1 ZINC000821690362 945818028 /nfs/dbraw/zinc/81/80/28/945818028.db2.gz IDAXREDXVXCPDA-UHFFFAOYSA-N -1 3 369.425 2.537 20 10 FFCDHM COCCN(Cc1ccccc1-c1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC000821690362 945818039 /nfs/dbraw/zinc/81/80/39/945818039.db2.gz IDAXREDXVXCPDA-UHFFFAOYSA-N -1 3 369.425 2.537 20 10 FFCDHM O=C1N(CC2CCOCC2)CC[C@@]12CCCN2Cc1c([O-])cccc1F ZINC001276038636 1013350015 /nfs/dbraw/zinc/35/00/15/1013350015.db2.gz YICQTKDSALVGGE-FQEVSTJZSA-N -1 3 362.445 2.525 20 10 FFCDHM CO[C@H]1C[C@H]2CN(Cc3cc(F)cc(F)c3[O-])Cc3cccnc3N2C1 ZINC000895439578 970617345 /nfs/dbraw/zinc/61/73/45/970617345.db2.gz DHQJURMKEFNITF-HOTGVXAUSA-N -1 3 361.392 2.675 20 10 FFCDHM COC(=O)c1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142527284 982579935 /nfs/dbraw/zinc/57/99/35/982579935.db2.gz RHGQNDXQUZDYPQ-UHFFFAOYSA-N -1 3 362.376 2.779 20 10 FFCDHM CN(C)c1ccc2c(c1)OCCN2Cc1nnc(-c2ccccc2[O-])o1 ZINC000878318669 1014983709 /nfs/dbraw/zinc/98/37/09/1014983709.db2.gz BNRQVRXNYBKJJX-UHFFFAOYSA-N -1 3 352.394 2.907 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc3ccccc3c2)c1 ZINC000055217682 984329777 /nfs/dbraw/zinc/32/97/77/984329777.db2.gz UVXBPMWVBDFFHX-UHFFFAOYSA-N -1 3 370.430 2.847 20 10 FFCDHM CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3c4cc(F)ccc4n(C)c3C(=O)[O-])C[C@@H]21 ZINC001596690581 984794266 /nfs/dbraw/zinc/79/42/66/984794266.db2.gz GDXLXMJCGHNTJH-HACGYAERSA-N -1 3 374.412 2.647 20 10 FFCDHM CN(C)c1ccc(/C=C\CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)cc1 ZINC001598314460 991297952 /nfs/dbraw/zinc/29/79/52/991297952.db2.gz TYQVYDBVYMLEPA-HYXAFXHYSA-N -1 3 358.482 2.848 20 10 FFCDHM [O-]c1cc(Br)cc(F)c1CN1CCNC[C@@H]1C(F)(F)F ZINC001236978840 991975374 /nfs/dbraw/zinc/97/53/74/991975374.db2.gz ALCXDDACEPVSLB-LLVKDONJSA-N -1 3 357.145 2.630 20 10 FFCDHM C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267670 994591428 /nfs/dbraw/zinc/59/14/28/994591428.db2.gz QTFVAIJBTZFDHQ-JTQLQIEISA-N -1 3 368.231 2.790 20 10 FFCDHM C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593299767 994724599 /nfs/dbraw/zinc/72/45/99/994724599.db2.gz VMTVHDMIASGHCM-CQSZACIVSA-N -1 3 370.449 2.902 20 10 FFCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000741676266 999736920 /nfs/dbraw/zinc/73/69/20/999736920.db2.gz YWMBNQGJVKRZMO-UHFFFAOYSA-N -1 3 365.433 2.687 20 10 FFCDHM COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000846658622 1000403375 /nfs/dbraw/zinc/40/33/75/1000403375.db2.gz KJQBZCSKECWNBV-UHFFFAOYSA-N -1 3 356.422 2.812 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001148583122 1001174981 /nfs/dbraw/zinc/17/49/81/1001174981.db2.gz UKBZQFKTOLYTTO-IIBYNOLFSA-N -1 3 369.417 2.982 20 10 FFCDHM COc1cccc(OCC2CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)c1 ZINC001148587475 1001176832 /nfs/dbraw/zinc/17/68/32/1001176832.db2.gz IUSFAGGEMUHEOP-UHFFFAOYSA-N -1 3 373.405 2.743 20 10 FFCDHM COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772176131 1001311044 /nfs/dbraw/zinc/31/10/44/1001311044.db2.gz IQFZIOPVRLBIPL-KRWDZBQOSA-N -1 3 373.365 2.522 20 10 FFCDHM O=C(Nc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1)c1cccnc1 ZINC000790608289 1002444785 /nfs/dbraw/zinc/44/47/85/1002444785.db2.gz LNCIACHZZJGCKT-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000790935136 1002514649 /nfs/dbraw/zinc/51/46/49/1002514649.db2.gz VDBSAOLJZGIRGQ-LJQANCHMSA-N -1 3 362.426 2.571 20 10 FFCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000804845695 1003856050 /nfs/dbraw/zinc/85/60/50/1003856050.db2.gz PRMGHPIKPWJRJP-LALPHHSUSA-N -1 3 364.442 2.862 20 10 FFCDHM CCOC(=O)[C@@H](C)NC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001199849729 1005039767 /nfs/dbraw/zinc/03/97/67/1005039767.db2.gz KIKGFRLFKANVAB-SECBINFHSA-N -1 3 367.858 2.510 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCc3c(nnn3-c3ccccc3)C2)c1[O-] ZINC000814638602 1006384045 /nfs/dbraw/zinc/38/40/45/1006384045.db2.gz RAETZHMTIMPNKR-UHFFFAOYSA-N -1 3 366.396 2.873 20 10 FFCDHM O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1cccc(O)c1[O-] ZINC000882831366 1006526624 /nfs/dbraw/zinc/52/66/24/1006526624.db2.gz GBFDAYPXVWOAIY-OAHLLOKOSA-N -1 3 355.390 2.901 20 10 FFCDHM COc1ccc(CN2CC[C@H](NCc3cc(F)cc(F)c3[O-])C2=O)cc1 ZINC000883003568 1006594697 /nfs/dbraw/zinc/59/46/97/1006594697.db2.gz VYIBHCJOQIMOBV-KRWDZBQOSA-N -1 3 362.376 2.570 20 10 FFCDHM CSc1cccc(N2C[C@@H](C(=O)NCc3c([O-])cccc3F)CC2=O)c1 ZINC001178409633 1008983657 /nfs/dbraw/zinc/98/36/57/1008983657.db2.gz HGTAXUBTNOOCRP-LBPRGKRZSA-N -1 3 374.437 2.923 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(c(Br)c1)OCO2 ZINC001178413186 1008984161 /nfs/dbraw/zinc/98/41/61/1008984161.db2.gz NZTSLIPCMVTFDG-UHFFFAOYSA-N -1 3 368.158 2.953 20 10 FFCDHM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1c([O-])cccc1F ZINC000928709564 1019084612 /nfs/dbraw/zinc/08/46/12/1019084612.db2.gz JOUJGZNIGKLYTC-UHFFFAOYSA-N -1 3 369.396 2.564 20 10 FFCDHM N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(F)c2[O-])N1)OCCCO4 ZINC000778520394 1022062302 /nfs/dbraw/zinc/06/23/02/1022062302.db2.gz VVTLCOJVWXBMPM-INIZCTEOSA-N -1 3 369.356 2.539 20 10 FFCDHM CCOc1ccc(N2CCN(C(=O)c3ccc(C(C)=O)c([O-])c3)CC2)cc1 ZINC001118749648 1022382631 /nfs/dbraw/zinc/38/26/31/1022382631.db2.gz JNKRDRQBVBSTJC-UHFFFAOYSA-N -1 3 368.433 2.956 20 10 FFCDHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cccc(O)c1[O-] ZINC000188202845 1023038108 /nfs/dbraw/zinc/03/81/08/1023038108.db2.gz AXGJSPNLVUYXHA-UHFFFAOYSA-N -1 3 368.311 2.951 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CC[C@@H](C)[NH2+]C3)c1C2=O ZINC001218398775 1033138221 /nfs/dbraw/zinc/13/82/21/1033138221.db2.gz NFTYXNVXSPSERQ-DGCLKSJQSA-N -1 3 367.401 2.701 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC001122036889 1024279203 /nfs/dbraw/zinc/27/92/03/1024279203.db2.gz VZGGAGYZCHJHKG-ADLMAVQZSA-N -1 3 371.466 2.753 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000840556060 1027111950 /nfs/dbraw/zinc/11/19/50/1027111950.db2.gz UVVJKTSNJPOQSP-GFCCVEGCSA-N -1 3 355.417 2.832 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc2nccn2c1 ZINC001155920492 1028974788 /nfs/dbraw/zinc/97/47/88/1028974788.db2.gz KMKSRUQOLWKNQD-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM Cc1ccc2nnc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])n2c1 ZINC001156040358 1029023252 /nfs/dbraw/zinc/02/32/52/1029023252.db2.gz VCZOTCZCIHGZJA-UHFFFAOYSA-N -1 3 367.796 2.875 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCN(CC(F)(F)F)CC1 ZINC000691676137 1029175708 /nfs/dbraw/zinc/17/57/08/1029175708.db2.gz LLEGLEHACZZFNM-UHFFFAOYSA-N -1 3 353.182 2.835 20 10 FFCDHM O=C1NC2(C[C@H]1c1ccncc1)CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517251 1030566251 /nfs/dbraw/zinc/56/62/51/1030566251.db2.gz GPLARDVFHWTGJM-HNNXBMFYSA-N -1 3 373.403 2.704 20 10 FFCDHM COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203656788 1030810892 /nfs/dbraw/zinc/81/08/92/1030810892.db2.gz XSUPYSMRMCUXPQ-MRXNPFEDSA-N -1 3 362.861 2.793 20 10 FFCDHM [O-]c1c(F)cccc1CN1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001138127909 1033811391 /nfs/dbraw/zinc/81/13/91/1033811391.db2.gz VBLTVTLUPUUMPP-OAHLLOKOSA-N -1 3 368.412 2.834 20 10 FFCDHM O=C1[C@H]2CCCN(Cc3cccc(F)c3[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128364 1033813320 /nfs/dbraw/zinc/81/33/20/1033813320.db2.gz FRJAIAJAEHRSGD-WMZOPIPTSA-N -1 3 368.408 2.681 20 10 FFCDHM NC(=O)c1cc2cc(N3CCN(Cc4cccc(F)c4[O-])CC3)ccc2o1 ZINC001138129689 1033815907 /nfs/dbraw/zinc/81/59/07/1033815907.db2.gz RDXHYBATRSVMMD-UHFFFAOYSA-N -1 3 369.396 2.699 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1Cc2ccccc2CN1 ZINC001220212705 1034048747 /nfs/dbraw/zinc/04/87/47/1034048747.db2.gz SUKZFQVAKOYNPI-KRWDZBQOSA-N -1 3 367.836 2.925 20 10 FFCDHM CO[C@@H](C)CO[C@@H](C)COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385865 1034662561 /nfs/dbraw/zinc/66/25/61/1034662561.db2.gz VGMZXNIRIYMGKR-STQMWFEESA-N -1 3 370.401 2.986 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCN(C(=O)C2CCC2)CC1 ZINC001139129410 1034959369 /nfs/dbraw/zinc/95/93/69/1034959369.db2.gz YUSRTHSQDUIFOU-UHFFFAOYSA-N -1 3 370.449 2.641 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3nccc(Cl)n3)CC2)cc1Cl ZINC001232270153 1035539755 /nfs/dbraw/zinc/53/97/55/1035539755.db2.gz VSCQLSNOKXFNDE-UHFFFAOYSA-N -1 3 369.252 2.820 20 10 FFCDHM O=C(c1ccc(F)cc1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232269234 1035541009 /nfs/dbraw/zinc/54/10/09/1035541009.db2.gz YJZJTIYOYRIZRB-UHFFFAOYSA-N -1 3 364.804 2.848 20 10 FFCDHM CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCCN(CC)C2)c1[O-] ZINC001227495804 1035584310 /nfs/dbraw/zinc/58/43/10/1035584310.db2.gz WZXOMTQEKCQAFH-LLVKDONJSA-N -1 3 371.455 2.670 20 10 FFCDHM O=C1NC2(C[C@H]1c1ccncc1)CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581309 1035661874 /nfs/dbraw/zinc/66/18/74/1035661874.db2.gz UOZJSYHUCOGWEA-HNNXBMFYSA-N -1 3 373.403 2.704 20 10 FFCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@@H]4C[C@H]3CO4)c2)nc1C ZINC001232453671 1035697120 /nfs/dbraw/zinc/69/71/20/1035697120.db2.gz LLCWFZLOVUYPEF-GJZGRUSLSA-N -1 3 374.462 2.974 20 10 FFCDHM CN1[C@@H]2C[C@@H](Oc3c(O)c([O-])ccc3C(=O)c3ccccc3)[C@H]1CC(=O)C2 ZINC001227937351 1035823277 /nfs/dbraw/zinc/82/32/77/1035823277.db2.gz ITAPQYGEIZAQQN-FDQGKXFDSA-N -1 3 367.401 2.512 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCCCC12COC2 ZINC001232978386 1036209074 /nfs/dbraw/zinc/20/90/74/1036209074.db2.gz FJSSSJJEVZPGQH-UHFFFAOYSA-N -1 3 359.207 2.752 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCc2ncccc2C1 ZINC001232979237 1036212609 /nfs/dbraw/zinc/21/26/09/1036212609.db2.gz VPGBMTBNUKIUPD-UHFFFAOYSA-N -1 3 366.202 2.950 20 10 FFCDHM O=C(NC1CCC1)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333604 1036542012 /nfs/dbraw/zinc/54/20/12/1036542012.db2.gz BNSHVVNBQHGGOW-CQSZACIVSA-N -1 3 350.409 2.941 20 10 FFCDHM CCCOC(=O)[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192416 1036542696 /nfs/dbraw/zinc/54/26/96/1036542696.db2.gz MKDNYYFVCNMIFI-LLVKDONJSA-N -1 3 354.358 2.888 20 10 FFCDHM [O-]c1c(CN2CC[C@H](Oc3ncc(F)cn3)C2)cccc1C(F)(F)F ZINC001233419972 1036613023 /nfs/dbraw/zinc/61/30/23/1036613023.db2.gz UTECHXCSGGOQGZ-LBPRGKRZSA-N -1 3 357.307 2.993 20 10 FFCDHM COc1c(OC[C@H]2CCO2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127355 1036930586 /nfs/dbraw/zinc/93/05/86/1036930586.db2.gz QTYBZNIEPSQLSI-LLVKDONJSA-N -1 3 354.358 2.652 20 10 FFCDHM COc1c(OC2CC(=O)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234129176 1036930732 /nfs/dbraw/zinc/93/07/32/1036930732.db2.gz HFBRCOBSZZUESC-UHFFFAOYSA-N -1 3 352.342 2.595 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCn4ccnc43)c12 ZINC001234748058 1037164620 /nfs/dbraw/zinc/16/46/20/1037164620.db2.gz ZNPNBDUKGDXSAS-ZDUSSCGKSA-N -1 3 366.329 2.783 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451879 1037591704 /nfs/dbraw/zinc/59/17/04/1037591704.db2.gz YEBXUWSWUIJNQR-GDBMZVCRSA-N -1 3 373.478 2.643 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451879 1037591709 /nfs/dbraw/zinc/59/17/09/1037591709.db2.gz YEBXUWSWUIJNQR-GDBMZVCRSA-N -1 3 373.478 2.643 20 10 FFCDHM COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231453642 1037595049 /nfs/dbraw/zinc/59/50/49/1037595049.db2.gz NNXZXZHHEKRPSJ-MRXNPFEDSA-N -1 3 358.394 2.537 20 10 FFCDHM COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231453642 1037595059 /nfs/dbraw/zinc/59/50/59/1037595059.db2.gz NNXZXZHHEKRPSJ-MRXNPFEDSA-N -1 3 358.394 2.537 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001231562397 1037685410 /nfs/dbraw/zinc/68/54/10/1037685410.db2.gz BIMCQFDWYHWZCF-IBGZPJMESA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001231562397 1037685423 /nfs/dbraw/zinc/68/54/23/1037685423.db2.gz BIMCQFDWYHWZCF-IBGZPJMESA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001231563588 1037687281 /nfs/dbraw/zinc/68/72/81/1037687281.db2.gz RIYBBWGSZMLZKO-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001231563588 1037687288 /nfs/dbraw/zinc/68/72/88/1037687288.db2.gz RIYBBWGSZMLZKO-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c1 ZINC001231564757 1037688827 /nfs/dbraw/zinc/68/88/27/1037688827.db2.gz XHAAHORFVUUREW-SFHVURJKSA-N -1 3 366.417 2.544 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001231869737 1037966384 /nfs/dbraw/zinc/96/63/84/1037966384.db2.gz XKUDXIWHALRIQT-KBPBESRZSA-N -1 3 370.877 2.814 20 10 FFCDHM CCn1nnc2c1[C@H](COC)CN(Cc1ccc3ccccc3c1[O-])C2 ZINC001231878953 1037973487 /nfs/dbraw/zinc/97/34/87/1037973487.db2.gz SBMBEQYUUYDDJP-INIZCTEOSA-N -1 3 352.438 2.903 20 10 FFCDHM COc1cc([O-])c(C[NH+]2CCC([N-]C(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC001236804747 1038279607 /nfs/dbraw/zinc/27/96/07/1038279607.db2.gz XOGSQLCZFAEGBI-UHFFFAOYSA-N -1 3 366.767 2.697 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278023145 1038330384 /nfs/dbraw/zinc/33/03/84/1038330384.db2.gz LXQZQSSEJIOKKX-XIKOKIGWSA-N -1 3 370.852 2.787 20 10 FFCDHM COc1cc([O-])c(CN2CCO[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC001237070485 1038434671 /nfs/dbraw/zinc/43/46/71/1038434671.db2.gz NNSUBWCYERUCJC-GFCCVEGCSA-N -1 3 370.165 2.926 20 10 FFCDHM COc1cc([O-])c(CN2CCN(C(C)(C)C)C(=O)C2)c(Br)c1 ZINC001237072332 1038434868 /nfs/dbraw/zinc/43/48/68/1038434868.db2.gz DRQHFTGWGXDVKS-UHFFFAOYSA-N -1 3 371.275 2.606 20 10 FFCDHM CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001276605450 1038618577 /nfs/dbraw/zinc/61/85/77/1038618577.db2.gz IWRJRVGZPSFUPT-CZUORRHYSA-N -1 3 360.454 2.607 20 10 FFCDHM COc1ccc(CN2CCC[C@@H]3C[C@@H]32)c([O-])c1I ZINC001248499021 1040303088 /nfs/dbraw/zinc/30/30/88/1040303088.db2.gz ZKWAARSIEOMRHH-KOLCDFICSA-N -1 3 359.207 2.990 20 10 FFCDHM O=S(=O)([N-]c1cccc(CN2CCCC2)c1)c1cccc2nonc21 ZINC001260440723 1040593148 /nfs/dbraw/zinc/59/31/48/1040593148.db2.gz HTNRKXNMNLYYCP-UHFFFAOYSA-N -1 3 358.423 2.619 20 10 FFCDHM CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2Cc1c([O-])cc(F)cc1F ZINC001278606126 1041395081 /nfs/dbraw/zinc/39/50/81/1041395081.db2.gz SFROGMRPMWQBJB-IRXDYDNUSA-N -1 3 362.424 2.736 20 10 FFCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237677656 1043304970 /nfs/dbraw/zinc/30/49/70/1043304970.db2.gz AFCVLKSSPPWNAS-HNNXBMFYSA-N -1 3 370.243 2.560 20 10 FFCDHM CNC(=O)CN(Cc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001474675560 1045164096 /nfs/dbraw/zinc/16/40/96/1045164096.db2.gz BWROBZAHKSTAGD-UHFFFAOYSA-N -1 3 363.255 2.903 20 10 FFCDHM CC(C)CC(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC001333920126 1049168587 /nfs/dbraw/zinc/16/85/87/1049168587.db2.gz KIYVJYGNRTZUAQ-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cnc(OCc2ccccc2)cn1 ZINC001303875150 1051463794 /nfs/dbraw/zinc/46/37/94/1051463794.db2.gz BFLPGTRYLAUCDV-UHFFFAOYSA-N -1 3 353.353 2.830 20 10 FFCDHM COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(Cl)cc1[O-] ZINC001308753549 1052494597 /nfs/dbraw/zinc/49/45/97/1052494597.db2.gz BARUZQCMQDTNNQ-UHFFFAOYSA-N -1 3 370.858 2.917 20 10 FFCDHM CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001517001657 1060299182 /nfs/dbraw/zinc/29/91/82/1060299182.db2.gz ZBWBLJLJTQPMCG-UHFFFAOYSA-N -1 3 360.385 2.883 20 10 FFCDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001464599340 1062707622 /nfs/dbraw/zinc/70/76/22/1062707622.db2.gz RGACGGIJQHITOA-UHFFFAOYSA-N -1 3 374.777 2.880 20 10 FFCDHM CC(C)(C)OC(=O)N(CCNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC001468573678 1064006637 /nfs/dbraw/zinc/00/66/37/1064006637.db2.gz NHTQDXUSHJEOJZ-UHFFFAOYSA-N -1 3 367.421 2.730 20 10 FFCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccnc1N1CCOCC1 ZINC001473926555 1065422449 /nfs/dbraw/zinc/42/24/49/1065422449.db2.gz UZIVPXRBDBJWMZ-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1 ZINC001474746654 1065596898 /nfs/dbraw/zinc/59/68/98/1065596898.db2.gz AGOBBUPDDLJPSO-AWEZNQCLSA-N -1 3 350.346 2.925 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001558454792 1076009186 /nfs/dbraw/zinc/00/91/86/1076009186.db2.gz MLCVNLVPUPXSPF-UHFFFAOYSA-N -1 3 356.313 2.760 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000055639185 506809301 /nfs/dbraw/zinc/80/93/01/506809301.db2.gz MKNNHIRXHJIFDT-UHFFFAOYSA-N -1 3 368.480 2.866 20 10 FFCDHM CN(CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccccc1[O-] ZINC000109770722 507986669 /nfs/dbraw/zinc/98/66/69/507986669.db2.gz UPYWSADBBIFVKN-UHFFFAOYSA-N -1 3 364.392 2.784 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCC(Cn2ccnn2)CC1 ZINC000092097809 508042240 /nfs/dbraw/zinc/04/22/40/508042240.db2.gz GZVGJZAPSOSAJV-UHFFFAOYSA-N -1 3 351.248 2.658 20 10 FFCDHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092762134 508100330 /nfs/dbraw/zinc/10/03/30/508100330.db2.gz BPVQQLJFEHATBJ-DOMZBBRYSA-N -1 3 354.472 2.805 20 10 FFCDHM CCCOc1ccc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c([O-])c1 ZINC000093646991 508150825 /nfs/dbraw/zinc/15/08/25/508150825.db2.gz WGUFSHJIPXPNKC-AEFFLSMTSA-N -1 3 355.500 2.969 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000093910257 508159811 /nfs/dbraw/zinc/15/98/11/508159811.db2.gz SCAXQGVXKSRIOT-INIZCTEOSA-N -1 3 360.435 2.741 20 10 FFCDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1cccc(C)c1 ZINC000179099898 509264993 /nfs/dbraw/zinc/26/49/93/509264993.db2.gz AZBJRBTWHVWYNC-UHFFFAOYSA-N -1 3 362.433 2.684 20 10 FFCDHM CC[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)N1CCOCC1 ZINC000185665569 509295281 /nfs/dbraw/zinc/29/52/81/509295281.db2.gz CIOQUONJXVQKET-GXFFZTMASA-N -1 3 361.269 2.987 20 10 FFCDHM CCN(C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1)CC(F)(F)F ZINC000182553871 509300176 /nfs/dbraw/zinc/30/01/76/509300176.db2.gz KINRXDORBNZCNR-GFCCVEGCSA-N -1 3 360.376 2.753 20 10 FFCDHM COc1cc(Br)cc(CN2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000179464937 509457928 /nfs/dbraw/zinc/45/79/28/509457928.db2.gz BUWXBGSNONLLLZ-ZDUSSCGKSA-N -1 3 367.247 2.592 20 10 FFCDHM C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193000326 509732579 /nfs/dbraw/zinc/73/25/79/509732579.db2.gz HKOYKTGJEXYKOE-OTYXRUKQSA-N -1 3 369.252 2.889 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(C)OC(C)=O ZINC000187639525 510366585 /nfs/dbraw/zinc/36/65/85/510366585.db2.gz RTRLQDKPPLKDLK-UHFFFAOYSA-N -1 3 358.232 2.845 20 10 FFCDHM COc1cc(Cl)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000184946516 510597965 /nfs/dbraw/zinc/59/79/65/510597965.db2.gz FIOJNFIXIPQXAO-HNNXBMFYSA-N -1 3 369.870 2.930 20 10 FFCDHM C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185110597 510690316 /nfs/dbraw/zinc/69/03/16/510690316.db2.gz MYQVXFJJOXIKQX-GFCCVEGCSA-N -1 3 352.431 2.632 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@H](N3CCCC3=O)C2)c1[O-] ZINC000276752641 510945351 /nfs/dbraw/zinc/94/53/51/510945351.db2.gz FUHSYFVDPAJMML-AWEZNQCLSA-N -1 3 353.260 2.660 20 10 FFCDHM C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998712 510952051 /nfs/dbraw/zinc/95/20/51/510952051.db2.gz YXIZGGINQUBULF-BLLLJJGKSA-N -1 3 361.392 2.907 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCc1nccs1 ZINC000277190303 510957032 /nfs/dbraw/zinc/95/70/32/510957032.db2.gz DABWWQVJLZVPAD-UHFFFAOYSA-N -1 3 351.815 2.509 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCc1ccccn1 ZINC000277319291 510960082 /nfs/dbraw/zinc/96/00/82/510960082.db2.gz MDOKAFFNGYICSF-UHFFFAOYSA-N -1 3 359.813 2.838 20 10 FFCDHM CCc1ccc([C@@H](COC)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000278518641 510996152 /nfs/dbraw/zinc/99/61/52/510996152.db2.gz RLWQHRXGGCKAIZ-CYBMUJFWSA-N -1 3 350.371 2.942 20 10 FFCDHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000286009807 511017498 /nfs/dbraw/zinc/01/74/98/511017498.db2.gz JFKXREHRXLYXJL-GFCCVEGCSA-N -1 3 363.435 2.691 20 10 FFCDHM O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000286444031 511025674 /nfs/dbraw/zinc/02/56/74/511025674.db2.gz HCJBOUFYVRZFOG-AWEZNQCLSA-N -1 3 362.426 2.761 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NOCCCOC ZINC000287993837 511061298 /nfs/dbraw/zinc/06/12/98/511061298.db2.gz KTEVJDPFWWCIGA-UHFFFAOYSA-N -1 3 361.236 2.654 20 10 FFCDHM CO[C@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000271194636 511116305 /nfs/dbraw/zinc/11/63/05/511116305.db2.gz HFGGLKBXXQDYPX-SECBINFHSA-N -1 3 356.220 2.877 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[C@@H]1CCCO1 ZINC000272235130 511473946 /nfs/dbraw/zinc/47/39/46/511473946.db2.gz MPSRNTMWUIGATH-AWEZNQCLSA-N -1 3 355.818 2.506 20 10 FFCDHM COCCC[C@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272249388 511479478 /nfs/dbraw/zinc/47/94/78/511479478.db2.gz ZCSWXLPUISYDGC-LBPRGKRZSA-N -1 3 357.834 2.610 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1O ZINC000281460551 511856968 /nfs/dbraw/zinc/85/69/68/511856968.db2.gz BYOPPRHBBDLGHK-AWEZNQCLSA-N -1 3 354.406 2.531 20 10 FFCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccc(N2CCOCC2)nc1 ZINC000293821003 512091589 /nfs/dbraw/zinc/09/15/89/512091589.db2.gz DFKXQVDGOIGRPN-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM NC(=O)c1cc(OC2CCN(Cc3c([O-])cccc3Cl)CC2)ccn1 ZINC000367701908 512624122 /nfs/dbraw/zinc/62/41/22/512624122.db2.gz GVVDHIMCEAKECG-UHFFFAOYSA-N -1 3 361.829 2.583 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCOC2(CCOCC2)CC1 ZINC000372128673 512728422 /nfs/dbraw/zinc/72/84/22/512728422.db2.gz OJXHXLVUYOQYLR-UHFFFAOYSA-N -1 3 356.260 2.926 20 10 FFCDHM COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1noc(C)n1 ZINC000367961349 512742559 /nfs/dbraw/zinc/74/25/59/512742559.db2.gz DFPBLJMNKLZDHC-OAHLLOKOSA-N -1 3 369.377 2.626 20 10 FFCDHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000376555969 512871217 /nfs/dbraw/zinc/87/12/17/512871217.db2.gz KOYNCTRVXKEYMJ-OAHLLOKOSA-N -1 3 370.405 2.658 20 10 FFCDHM O=C(C[C@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370809913 513107418 /nfs/dbraw/zinc/10/74/18/513107418.db2.gz KVCVNYCZUFBQNT-CZUORRHYSA-N -1 3 352.862 2.553 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000528282738 518163513 /nfs/dbraw/zinc/16/35/13/518163513.db2.gz RONKZWBGGAMDFM-RZGXBDKHSA-N -1 3 357.248 2.766 20 10 FFCDHM CN(C)c1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1F ZINC000821589240 599503185 /nfs/dbraw/zinc/50/31/85/599503185.db2.gz DVJDTYWEZJXMKW-UHFFFAOYSA-N -1 3 363.400 2.654 20 10 FFCDHM CN(C)c1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1F ZINC000821589240 599503187 /nfs/dbraw/zinc/50/31/87/599503187.db2.gz DVJDTYWEZJXMKW-UHFFFAOYSA-N -1 3 363.400 2.654 20 10 FFCDHM Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233349 599574242 /nfs/dbraw/zinc/57/42/42/599574242.db2.gz DQVFXRIZWSEGEX-YJBOKZPZSA-N -1 3 362.437 2.899 20 10 FFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1cccnc1 ZINC000823504478 606389629 /nfs/dbraw/zinc/38/96/29/606389629.db2.gz QQIPVWJVWCNTGK-IZZDOVSWSA-N -1 3 372.460 2.729 20 10 FFCDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821828563 606882206 /nfs/dbraw/zinc/88/22/06/606882206.db2.gz YAQIKMAIMSXXTC-UHFFFAOYSA-N -1 3 372.816 2.604 20 10 FFCDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821828563 606882208 /nfs/dbraw/zinc/88/22/08/606882208.db2.gz YAQIKMAIMSXXTC-UHFFFAOYSA-N -1 3 372.816 2.604 20 10 FFCDHM CC(C)(C)c1cnc(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966204 607120085 /nfs/dbraw/zinc/12/00/85/607120085.db2.gz YOFQQXAEFLPKDR-LBPRGKRZSA-N -1 3 374.495 2.939 20 10 FFCDHM CC(C)(C)c1cnc(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966204 607120088 /nfs/dbraw/zinc/12/00/88/607120088.db2.gz YOFQQXAEFLPKDR-LBPRGKRZSA-N -1 3 374.495 2.939 20 10 FFCDHM COc1ccc2c(c1)CCCCN2C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212809 608259426 /nfs/dbraw/zinc/25/94/26/608259426.db2.gz BTDRXZPOBCLUQG-IBGZPJMESA-N -1 3 365.437 2.752 20 10 FFCDHM COc1ccc2c(c1)CCCCN2C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212809 608259428 /nfs/dbraw/zinc/25/94/28/608259428.db2.gz BTDRXZPOBCLUQG-IBGZPJMESA-N -1 3 365.437 2.752 20 10 FFCDHM COc1ccc(N2CCC(Nc3nc(-c4nnn[n-]4)ccc3C)CC2)cc1 ZINC000826209110 608544377 /nfs/dbraw/zinc/54/43/77/608544377.db2.gz NCAOBPSOCNGSGV-UHFFFAOYSA-N -1 3 365.441 2.660 20 10 FFCDHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092228135 728465367 /nfs/dbraw/zinc/46/53/67/728465367.db2.gz PEEZDPTUVCGZQO-FZMZJTMJSA-N -1 3 354.472 2.708 20 10 FFCDHM CCCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC1 ZINC000092433828 728467335 /nfs/dbraw/zinc/46/73/35/728467335.db2.gz WHDLITMPTQQOQZ-OAHLLOKOSA-N -1 3 354.472 2.852 20 10 FFCDHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094102673 728479501 /nfs/dbraw/zinc/47/95/01/728479501.db2.gz CRYLOZQKXUQAOF-DOMZBBRYSA-N -1 3 354.472 2.852 20 10 FFCDHM COC(=O)CN(CC(=O)N(C(C)C)C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000109779939 728529038 /nfs/dbraw/zinc/52/90/38/728529038.db2.gz PWHXFQOMJZCMAE-UHFFFAOYSA-N -1 3 370.877 2.666 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncc1F ZINC000134265519 728729270 /nfs/dbraw/zinc/72/92/70/728729270.db2.gz HDPCLCBBEWZFJN-AWEZNQCLSA-N -1 3 363.820 2.974 20 10 FFCDHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(O)cc3C)ccc21 ZINC000151871032 728747125 /nfs/dbraw/zinc/74/71/25/728747125.db2.gz ZLUDZKJJXBDTKT-UHFFFAOYSA-N -1 3 360.435 2.801 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2=CCCCCC2)c1 ZINC000185721989 729355278 /nfs/dbraw/zinc/35/52/78/729355278.db2.gz JMMKWFMLINGUDK-UHFFFAOYSA-N -1 3 352.456 2.774 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000189431197 729399127 /nfs/dbraw/zinc/39/91/27/729399127.db2.gz SDEXNRBKOOLNRO-UHFFFAOYSA-N -1 3 360.435 2.985 20 10 FFCDHM Cn1nccc1[C@H](O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000857063432 730376907 /nfs/dbraw/zinc/37/69/07/730376907.db2.gz SLUZLTVGXCFZLM-QGZVFWFLSA-N -1 3 353.825 2.864 20 10 FFCDHM NC(=O)c1cc(F)ccc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000857067867 730377123 /nfs/dbraw/zinc/37/71/23/730377123.db2.gz SIGHECFVHGRVHE-UHFFFAOYSA-N -1 3 363.820 2.606 20 10 FFCDHM CC(C)C(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862237438 730679668 /nfs/dbraw/zinc/67/96/68/730679668.db2.gz PGTUNQGKXXXGEH-GFCCVEGCSA-N -1 3 355.276 2.891 20 10 FFCDHM [O-]c1cccc(Br)c1CN(CCCO)Cc1ccccn1 ZINC000862367599 730692895 /nfs/dbraw/zinc/69/28/95/730692895.db2.gz OSYRJFBFLKGRMR-UHFFFAOYSA-N -1 3 351.244 2.934 20 10 FFCDHM Cc1nc(CCNCc2cc(F)c(N(C)C)cc2F)sc1C(=O)[O-] ZINC000864504457 730853590 /nfs/dbraw/zinc/85/35/90/730853590.db2.gz UFETUQZGOCKUHF-UHFFFAOYSA-N -1 3 355.410 2.826 20 10 FFCDHM CC(=O)NCCN(Cc1cc(Cl)ccc1[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000781528450 738634686 /nfs/dbraw/zinc/63/46/86/738634686.db2.gz ANAMWVCSKARACW-LBPRGKRZSA-N -1 3 370.877 2.714 20 10 FFCDHM C[S@](=O)(=NS(=O)(=O)[N-]c1ccc(O)cc1F)C1CCCCC1 ZINC000882712783 733276910 /nfs/dbraw/zinc/27/69/10/733276910.db2.gz LXOVQKAAKQTKOO-OAQYLSRUSA-N -1 3 350.437 2.619 20 10 FFCDHM COC(=O)CN(Cc1ccc(C(=O)OC)o1)Cc1cc(Cl)ccc1[O-] ZINC000732203112 734723430 /nfs/dbraw/zinc/72/34/30/734723430.db2.gz PGYKOPCFFVMJJP-UHFFFAOYSA-N -1 3 367.785 2.600 20 10 FFCDHM NC(=O)CC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893981859 734781551 /nfs/dbraw/zinc/78/15/51/734781551.db2.gz XEHPZNBHZWPAQU-JTQLQIEISA-N -1 3 359.239 2.771 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000894093987 734800636 /nfs/dbraw/zinc/80/06/36/734800636.db2.gz JBPVHJPLMKFGRT-NSHDSACASA-N -1 3 369.238 2.798 20 10 FFCDHM COC(=O)c1cnc([C@@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000896970383 735190078 /nfs/dbraw/zinc/19/00/78/735190078.db2.gz JPSXBQVLADIJQU-SECBINFHSA-N -1 3 354.378 2.903 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000748051375 735611963 /nfs/dbraw/zinc/61/19/63/735611963.db2.gz SJWRBIJRLCTSFT-AWEZNQCLSA-N -1 3 364.873 2.986 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000787422129 739135570 /nfs/dbraw/zinc/13/55/70/739135570.db2.gz AIACUODFUOXTHP-VHRBIJSZSA-N -1 3 353.260 2.549 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)CC12CCCCC2 ZINC000754009473 736115148 /nfs/dbraw/zinc/11/51/48/736115148.db2.gz HDXBKTKTKFZRDF-UHFFFAOYSA-N -1 3 360.479 2.874 20 10 FFCDHM CC1(C)CN(C(=O)C2CC2)CCN1Cc1cc(Br)ccc1[O-] ZINC000761226974 736709556 /nfs/dbraw/zinc/70/95/56/736709556.db2.gz YSBWTRHLOFQYFF-UHFFFAOYSA-N -1 3 367.287 2.988 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000769688003 737553782 /nfs/dbraw/zinc/55/37/82/737553782.db2.gz AYBADKZFWAXLKC-XPKDYRNWSA-N -1 3 366.483 2.805 20 10 FFCDHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769765553 737564346 /nfs/dbraw/zinc/56/43/46/737564346.db2.gz CDZQGWIYNJKULO-DOMZBBRYSA-N -1 3 354.472 2.852 20 10 FFCDHM O=S(=O)(CC1CCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771763272 737753522 /nfs/dbraw/zinc/75/35/22/737753522.db2.gz VUCFHJBYUPPAAP-MRXNPFEDSA-N -1 3 372.918 2.730 20 10 FFCDHM COc1c([O-])c(CN2CCN(Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000774821886 738029819 /nfs/dbraw/zinc/02/98/19/738029819.db2.gz UXSLALSNGNPTRP-UHFFFAOYSA-N -1 3 363.439 2.688 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774841322 738031596 /nfs/dbraw/zinc/03/15/96/738031596.db2.gz XHOCUUGOBOWQID-NSHDSACASA-N -1 3 364.320 2.852 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCc1c([O-])cccc1F ZINC000928706162 738897860 /nfs/dbraw/zinc/89/78/60/738897860.db2.gz SLUFMBYEISELBE-LLVKDONJSA-N -1 3 362.348 2.696 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000928707844 738898229 /nfs/dbraw/zinc/89/82/29/738898229.db2.gz CVBXEKSSFRFVPQ-CQSZACIVSA-N -1 3 362.426 2.904 20 10 FFCDHM CC(C)N(CCCNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000790641527 739478938 /nfs/dbraw/zinc/47/89/38/739478938.db2.gz BPAZKAGBQMDCTE-UHFFFAOYSA-N -1 3 352.431 2.863 20 10 FFCDHM CCNS(=O)(=O)c1ccc2c(c1)N(Cc1c([O-])cccc1Cl)CC2 ZINC000792178246 739647249 /nfs/dbraw/zinc/64/72/49/739647249.db2.gz YRCMZFGYIVDXNK-UHFFFAOYSA-N -1 3 366.870 2.907 20 10 FFCDHM CNC(=O)C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000795600485 740042913 /nfs/dbraw/zinc/04/29/13/740042913.db2.gz DSWAXTOBTIIIKG-AWEZNQCLSA-N -1 3 363.801 2.921 20 10 FFCDHM CCN(Cc1oncc1C(=O)OC)Cc1cc(Br)ccc1[O-] ZINC000795925232 740081116 /nfs/dbraw/zinc/08/11/16/740081116.db2.gz ODDQRAMJOFZAGS-UHFFFAOYSA-N -1 3 369.215 2.951 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@]3(CCCOC3)C2)c1 ZINC000809686831 741331790 /nfs/dbraw/zinc/33/17/90/741331790.db2.gz MMJXDRMJWNJWOE-MRXNPFEDSA-N -1 3 356.260 2.845 20 10 FFCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809779376 741342683 /nfs/dbraw/zinc/34/26/83/741342683.db2.gz LBBBFOYKIKFGCV-LBPRGKRZSA-N -1 3 357.248 2.865 20 10 FFCDHM O=C(CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000816515845 742036942 /nfs/dbraw/zinc/03/69/42/742036942.db2.gz MPIPNLMMMWNHPX-AWEZNQCLSA-N -1 3 370.852 2.788 20 10 FFCDHM COC(=O)c1conc1C(C)(C)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000823680246 742960716 /nfs/dbraw/zinc/96/07/16/742960716.db2.gz IMYRYNIXKIQWML-UHFFFAOYSA-N -1 3 350.346 2.533 20 10 FFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@H]2CCCC[C@H]21 ZINC000824807925 743152560 /nfs/dbraw/zinc/15/25/60/743152560.db2.gz IPULJVRDQBFRTI-DZGCQCFKSA-N -1 3 374.300 2.696 20 10 FFCDHM CCOC(=O)[C@@H](NCc1ccc(Br)cc1[O-])[C@H]1CCCOC1 ZINC000825671350 743308759 /nfs/dbraw/zinc/30/87/59/743308759.db2.gz IIPGYRNMXNEPRK-WFASDCNBSA-N -1 3 372.259 2.603 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCn2c(nnc2C(F)F)C1 ZINC000827898295 744998728 /nfs/dbraw/zinc/99/87/28/744998728.db2.gz JUXPRJGWBBIVNB-UHFFFAOYSA-N -1 3 359.174 2.700 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000837120898 746370524 /nfs/dbraw/zinc/37/05/24/746370524.db2.gz GXEQEESVDVRSSX-RYUDHWBXSA-N -1 3 350.415 2.521 20 10 FFCDHM CC(C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC(C)(C)C1 ZINC000837183489 746386693 /nfs/dbraw/zinc/38/66/93/746386693.db2.gz QSDVRSIVADOXAC-UHFFFAOYSA-N -1 3 354.472 2.803 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843039678 747753864 /nfs/dbraw/zinc/75/38/64/747753864.db2.gz DUUDHYGOPJUSAI-UHFFFAOYSA-N -1 3 372.259 2.919 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843039678 747753865 /nfs/dbraw/zinc/75/38/65/747753865.db2.gz DUUDHYGOPJUSAI-UHFFFAOYSA-N -1 3 372.259 2.919 20 10 FFCDHM COc1c([O-])c(CN[C@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000843429616 747835258 /nfs/dbraw/zinc/83/52/58/747835258.db2.gz IAFCYDQKRQGRIB-CQSZACIVSA-N -1 3 350.346 2.661 20 10 FFCDHM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843433184 747836819 /nfs/dbraw/zinc/83/68/19/747836819.db2.gz WAJQZYJFRJTUHE-ZDUSSCGKSA-N -1 3 354.731 2.685 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275892371 1013152862 /nfs/dbraw/zinc/15/28/62/1013152862.db2.gz BQIILYXOVWAEKC-SGTLLEGYSA-N -1 3 350.846 2.590 20 10 FFCDHM O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1ccc(Cl)cc1[O-] ZINC001275896325 1013157089 /nfs/dbraw/zinc/15/70/89/1013157089.db2.gz XQZCIZAIXIAHOB-GOSISDBHSA-N -1 3 361.829 2.801 20 10 FFCDHM CC(C)c1nc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])no1 ZINC001175282149 1013427379 /nfs/dbraw/zinc/42/73/79/1013427379.db2.gz QTRPUIOTEYTNMK-UHFFFAOYSA-N -1 3 360.801 2.959 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@@](N)(C(F)(F)F)C2)c(Br)c1 ZINC001206244763 1013430621 /nfs/dbraw/zinc/43/06/21/1013430621.db2.gz NJVVQLKHFKWLDW-LBPRGKRZSA-N -1 3 369.181 2.629 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC2(CN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000874612078 1013866049 /nfs/dbraw/zinc/86/60/49/1013866049.db2.gz AKQWOQOALCEMPE-UHFFFAOYSA-N -1 3 362.426 2.571 20 10 FFCDHM CCC(CC)(CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-] ZINC000899854682 977365834 /nfs/dbraw/zinc/36/58/34/977365834.db2.gz MQGZKLCVLDKOHT-QGZVFWFLSA-N -1 3 363.502 2.753 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001142512681 982474647 /nfs/dbraw/zinc/47/46/47/982474647.db2.gz IDNRCPBHLGQKSN-AWEZNQCLSA-N -1 3 363.408 2.926 20 10 FFCDHM COc1cc(OC)c(CNC(=O)NCc2c([O-])cccc2F)c(OC)c1 ZINC000914256008 987398790 /nfs/dbraw/zinc/39/87/90/987398790.db2.gz FBARJKUTRCXEAQ-UHFFFAOYSA-N -1 3 364.373 2.557 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000914400312 987476402 /nfs/dbraw/zinc/47/64/02/987476402.db2.gz IHQQOIFIMDOVHT-CQSZACIVSA-N -1 3 373.428 2.928 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000914400311 987476571 /nfs/dbraw/zinc/47/65/71/987476571.db2.gz IHQQOIFIMDOVHT-AWEZNQCLSA-N -1 3 373.428 2.928 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000922377916 988521988 /nfs/dbraw/zinc/52/19/88/988521988.db2.gz GSERGPPOTWNBJI-AWEZNQCLSA-N -1 3 372.400 2.637 20 10 FFCDHM O=C1COc2cc(NCc3cc(Cl)c4cccnc4c3[O-])cnc2N1 ZINC001168521981 989998482 /nfs/dbraw/zinc/99/84/82/989998482.db2.gz MULGNFSNBSOREN-UHFFFAOYSA-N -1 3 356.769 2.932 20 10 FFCDHM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1c([O-])cccc1F ZINC001137839542 990596667 /nfs/dbraw/zinc/59/66/67/990596667.db2.gz CDVUDJXSUNGPMC-UHFFFAOYSA-N -1 3 367.465 2.516 20 10 FFCDHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175522766 991212990 /nfs/dbraw/zinc/21/29/90/991212990.db2.gz IEOKLXMWAYUXRT-GOSISDBHSA-N -1 3 357.381 2.834 20 10 FFCDHM COc1ccc([C@H](NCc2ccc(N(C)C)cc2C)C(=O)[O-])c(OC)c1 ZINC001599532161 997675704 /nfs/dbraw/zinc/67/57/04/997675704.db2.gz PGVZBQGZZVZKBX-IBGZPJMESA-N -1 3 358.438 2.994 20 10 FFCDHM Cc1noc([C@H]2CCN(Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144306524 998301616 /nfs/dbraw/zinc/30/16/16/998301616.db2.gz FOHYRAIGVXYIJL-VIFPVBQESA-N -1 3 356.195 2.975 20 10 FFCDHM Cc1cccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1[O-] ZINC000740129006 999662854 /nfs/dbraw/zinc/66/28/54/999662854.db2.gz ZLAZOIKQQXZGES-UHFFFAOYSA-N -1 3 353.422 2.655 20 10 FFCDHM COc1c([O-])c(CNc2ccc(C(=O)NC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000845971502 1000188155 /nfs/dbraw/zinc/18/81/55/1000188155.db2.gz HAYSXHDWHBFSFS-UHFFFAOYSA-N -1 3 357.366 2.813 20 10 FFCDHM CCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@@H](C)c1cccc(OC)c1 ZINC000846241222 1000242217 /nfs/dbraw/zinc/24/22/17/1000242217.db2.gz JYNJIKYLAHCFQB-LBPRGKRZSA-N -1 3 370.409 2.725 20 10 FFCDHM COc1ccc(N(C)CCN(C)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000846445644 1000303826 /nfs/dbraw/zinc/30/38/26/1000303826.db2.gz CBSBVMRMQOWMSK-UHFFFAOYSA-N -1 3 366.421 2.552 20 10 FFCDHM Cn1c(Cl)cnc1-c1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001147242655 1000865123 /nfs/dbraw/zinc/86/51/23/1000865123.db2.gz VJGBVEHCTSBNHX-UHFFFAOYSA-N -1 3 350.787 2.861 20 10 FFCDHM CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cccc(O)c1[O-] ZINC000790629172 1002450678 /nfs/dbraw/zinc/45/06/78/1002450678.db2.gz KDNADPJTIDRCPH-UHFFFAOYSA-N -1 3 355.346 2.951 20 10 FFCDHM CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cccc(O)c1[O-] ZINC000790769735 1002483082 /nfs/dbraw/zinc/48/30/82/1002483082.db2.gz XOLQNUNQGKQJEK-UHFFFAOYSA-N -1 3 367.304 2.700 20 10 FFCDHM COc1c([O-])c(CNc2cccc([C@H]3CNC(=O)C3)c2)ccc1[N+](=O)[O-] ZINC000774936696 1003086240 /nfs/dbraw/zinc/08/62/40/1003086240.db2.gz DLDIDDJDOMPEJM-CYBMUJFWSA-N -1 3 357.366 2.525 20 10 FFCDHM COc1c([O-])c(CN[C@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000775049429 1003420744 /nfs/dbraw/zinc/42/07/44/1003420744.db2.gz ZZQCAXZYSNERCN-HNNXBMFYSA-N -1 3 371.397 2.839 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000805605890 1004057343 /nfs/dbraw/zinc/05/73/43/1004057343.db2.gz POOIIWOLHXPNEP-UHFFFAOYSA-N -1 3 364.405 2.741 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000805605890 1004057353 /nfs/dbraw/zinc/05/73/53/1004057353.db2.gz POOIIWOLHXPNEP-UHFFFAOYSA-N -1 3 364.405 2.741 20 10 FFCDHM O=S(=O)(Cc1cccnc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001197477074 1004230639 /nfs/dbraw/zinc/23/06/39/1004230639.db2.gz PMAHSVJRTUWFRJ-UHFFFAOYSA-N -1 3 363.826 2.608 20 10 FFCDHM CCOc1cncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001197987900 1004451464 /nfs/dbraw/zinc/45/14/64/1004451464.db2.gz BKVJIMBDENNVCZ-UHFFFAOYSA-N -1 3 358.785 2.713 20 10 FFCDHM NC(=O)[C@@H](NCc1c([O-])cccc1Br)c1ccc(F)cc1 ZINC001201902298 1005281139 /nfs/dbraw/zinc/28/11/39/1005281139.db2.gz WFDWJAFGPQQQPK-AWEZNQCLSA-N -1 3 353.191 2.610 20 10 FFCDHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1N(C)C ZINC000815070061 1006507461 /nfs/dbraw/zinc/50/74/61/1006507461.db2.gz ORFMZJFOUSRAST-UHFFFAOYSA-N -1 3 353.466 2.725 20 10 FFCDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816921794 1007258042 /nfs/dbraw/zinc/25/80/42/1007258042.db2.gz HDVBEVZIKFXCHO-HNNXBMFYSA-N -1 3 369.421 2.587 20 10 FFCDHM COc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(OC)n1 ZINC001190250245 1007540819 /nfs/dbraw/zinc/54/08/19/1007540819.db2.gz AFQDJKZMOKGRJI-UHFFFAOYSA-N -1 3 373.796 2.936 20 10 FFCDHM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000818639271 1007957895 /nfs/dbraw/zinc/95/78/95/1007957895.db2.gz JVLYBCUNERSJGY-LRDDRELGSA-N -1 3 372.396 2.719 20 10 FFCDHM COc1ccc(-n2nc(C(=O)NCc3c([O-])cccc3F)cc2C)cc1 ZINC001178412799 1008985182 /nfs/dbraw/zinc/98/51/82/1008985182.db2.gz FVAWTVUUDBUTTL-UHFFFAOYSA-N -1 3 355.369 2.964 20 10 FFCDHM O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1c([O-])cccc1F ZINC000928712047 1019085769 /nfs/dbraw/zinc/08/57/69/1019085769.db2.gz NMMAQPYIKYOJLM-MRXNPFEDSA-N -1 3 358.369 2.731 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000928710962 1019086208 /nfs/dbraw/zinc/08/62/08/1019086208.db2.gz YSQZZZLHMVMYAJ-AWEZNQCLSA-N -1 3 374.387 2.839 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc(CN2CCCCC2=O)cc1 ZINC000928711212 1019086557 /nfs/dbraw/zinc/08/65/57/1019086557.db2.gz IBTODOPRFKELIH-UHFFFAOYSA-N -1 3 356.397 2.974 20 10 FFCDHM COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1Cc1c([O-])cccc1F ZINC001137839515 1033183653 /nfs/dbraw/zinc/18/36/53/1033183653.db2.gz AZHDCWJGKOKNFY-KRWDZBQOSA-N -1 3 372.440 2.781 20 10 FFCDHM O=C1[C@H]2[C@H](CCCN2Cc2c([O-])cccc2F)C(=O)N1Cc1ccccc1 ZINC001137838826 1033181372 /nfs/dbraw/zinc/18/13/72/1033181372.db2.gz LFFXEKKPQQNLCU-HNAYVOBHSA-N -1 3 368.408 2.681 20 10 FFCDHM Cc1cc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)ncn1 ZINC001203650412 1030804382 /nfs/dbraw/zinc/80/43/82/1030804382.db2.gz SRUIDSPFSGKFLM-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CC(C)N(C)C(=O)C1=NO[C@]2(CCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203656771 1030808379 /nfs/dbraw/zinc/80/83/79/1030808379.db2.gz XMSILAIUNQJGAP-GOSISDBHSA-N -1 3 365.861 2.633 20 10 FFCDHM CCCCN1C[C@]2(CC1=O)COCCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001276945841 1033714178 /nfs/dbraw/zinc/71/41/78/1033714178.db2.gz UJJNKPAXZAFSCR-LJQANCHMSA-N -1 3 368.424 2.521 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001276946191 1033716525 /nfs/dbraw/zinc/71/65/25/1033716525.db2.gz YUGIFLNHUSICDP-YJYMSZOUSA-N -1 3 368.424 2.520 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001139126700 1034957152 /nfs/dbraw/zinc/95/71/52/1034957152.db2.gz NDRBGWWTJRKBFP-ZIAGYGMSSA-N -1 3 371.355 2.942 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2cccc(O)c2)CC1 ZINC001139132104 1034960121 /nfs/dbraw/zinc/96/01/21/1034960121.db2.gz TYBVFDRMOWFBAL-UHFFFAOYSA-N -1 3 366.417 2.835 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140337936 1035442716 /nfs/dbraw/zinc/44/27/16/1035442716.db2.gz NUBNPOGRIUNZIP-VXGBXAGGSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(C)(C)OC(=O)NCCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140337804 1035442739 /nfs/dbraw/zinc/44/27/39/1035442739.db2.gz GIKZEXAAWIALDR-UHFFFAOYSA-N -1 3 369.893 2.688 20 10 FFCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCc1ccccc1 ZINC000834912506 1035473395 /nfs/dbraw/zinc/47/33/95/1035473395.db2.gz DAEGPYFDERQERA-UONOGXRCSA-N -1 3 357.410 2.698 20 10 FFCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCc1ccccc1 ZINC000834912512 1035473467 /nfs/dbraw/zinc/47/34/67/1035473467.db2.gz DAEGPYFDERQERA-ZIAGYGMSSA-N -1 3 357.410 2.698 20 10 FFCDHM COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140462482 1035484870 /nfs/dbraw/zinc/48/48/70/1035484870.db2.gz HFLFLGIZODLPCU-MRXNPFEDSA-N -1 3 362.861 2.793 20 10 FFCDHM Cc1[nH]c(CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC001140496246 1035508114 /nfs/dbraw/zinc/50/81/14/1035508114.db2.gz XJUIZDWDKIJTKP-UHFFFAOYSA-N -1 3 357.454 2.798 20 10 FFCDHM COc1cc(O[C@H](C)CN(C)C)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227391763 1035532659 /nfs/dbraw/zinc/53/26/59/1035532659.db2.gz AVAKQDFFKFVLLF-GFCCVEGCSA-N -1 3 369.417 2.814 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2cnn(C)c21 ZINC001232266343 1035538778 /nfs/dbraw/zinc/53/87/78/1035538778.db2.gz XDSLILRPNHMCRJ-CQSZACIVSA-N -1 3 365.861 2.924 20 10 FFCDHM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1cc(Cl)c([O-])cc1O ZINC001277665724 1035692192 /nfs/dbraw/zinc/69/21/92/1035692192.db2.gz PHFIIFIQSSYSRY-INIZCTEOSA-N -1 3 360.788 2.583 20 10 FFCDHM CCC1(O)CCN(Cc2ccc(I)cc2[O-])CC1 ZINC001232980230 1036216256 /nfs/dbraw/zinc/21/62/56/1036216256.db2.gz NUSDSYUWBAZIFJ-UHFFFAOYSA-N -1 3 361.223 2.734 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)CC[C@H]2CO)cc1Br ZINC001233135024 1036386308 /nfs/dbraw/zinc/38/63/08/1036386308.db2.gz JRMABWNKZAQAMT-JTQLQIEISA-N -1 3 366.202 2.755 20 10 FFCDHM COc1cc([O-])c(CN2CCC(=O)C(F)(F)C2)cc1Br ZINC001233140613 1036387181 /nfs/dbraw/zinc/38/71/81/1036387181.db2.gz OJJXAUAZEWRQAU-UHFFFAOYSA-N -1 3 350.159 2.573 20 10 FFCDHM COC[C@H](C)OC[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192617 1036543284 /nfs/dbraw/zinc/54/32/84/1036543284.db2.gz QHZNDXRJBGZIII-QWHCGFSZSA-N -1 3 370.401 2.986 20 10 FFCDHM C[C@H](CN(C)C)Oc1c(O)c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229700050 1036838518 /nfs/dbraw/zinc/83/85/18/1036838518.db2.gz PLEIJKYIJWVTQG-LLVKDONJSA-N -1 3 371.389 2.906 20 10 FFCDHM C[C@@H](CN(C)C)Oc1c(O)c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229700053 1036838803 /nfs/dbraw/zinc/83/88/03/1036838803.db2.gz PLEIJKYIJWVTQG-NSHDSACASA-N -1 3 371.389 2.906 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2[O-])N1C1COC1 ZINC001277830011 1036911381 /nfs/dbraw/zinc/91/13/81/1036911381.db2.gz LIRWBUMUPZMFEW-HUUCEWRRSA-N -1 3 371.264 2.663 20 10 FFCDHM COC[C@@H]1c2nnn(C)c2CCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234987750 1037280609 /nfs/dbraw/zinc/28/06/09/1037280609.db2.gz JTWDUSAAULGBRR-LJQANCHMSA-N -1 3 364.449 2.934 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC001231454556 1037594948 /nfs/dbraw/zinc/59/49/48/1037594948.db2.gz ZZPOGAYXIWRSLT-UHFFFAOYSA-N -1 3 369.421 2.877 20 10 FFCDHM C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453206 1037595774 /nfs/dbraw/zinc/59/57/74/1037595774.db2.gz IJIRAXOMDSPOIB-DOMZBBRYSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453206 1037595783 /nfs/dbraw/zinc/59/57/83/1037595783.db2.gz IJIRAXOMDSPOIB-DOMZBBRYSA-N -1 3 364.442 2.968 20 10 FFCDHM CC1(C)[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001231455077 1037598174 /nfs/dbraw/zinc/59/81/74/1037598174.db2.gz WBBKTAGHZOCTQE-NRFANRHFSA-N -1 3 367.401 2.932 20 10 FFCDHM CC1(C)[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001231455077 1037598187 /nfs/dbraw/zinc/59/81/87/1037598187.db2.gz WBBKTAGHZOCTQE-NRFANRHFSA-N -1 3 367.401 2.932 20 10 FFCDHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231560245 1037684211 /nfs/dbraw/zinc/68/42/11/1037684211.db2.gz DHMWAZRDRSWCBZ-CYBMUJFWSA-N -1 3 364.442 2.922 20 10 FFCDHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231565054 1037689695 /nfs/dbraw/zinc/68/96/95/1037689695.db2.gz OTFWGWZGDOBZPC-UHFFFAOYSA-N -1 3 362.426 2.580 20 10 FFCDHM COc1cc(C)nc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC001231871629 1037969511 /nfs/dbraw/zinc/96/95/11/1037969511.db2.gz OTQQAQLXEPXURY-UHFFFAOYSA-N -1 3 362.861 2.783 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccncn3)CC2)c1 ZINC001236668393 1038181777 /nfs/dbraw/zinc/18/17/77/1038181777.db2.gz DAQQJPBRAMBQHD-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CCCCN1C[C@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278023222 1038333736 /nfs/dbraw/zinc/33/37/36/1038333736.db2.gz OXFAZHLZWOMGBB-GOSISDBHSA-N -1 3 370.852 2.788 20 10 FFCDHM CCCN(CC(=O)OCC)Cc1c([O-])cc(OC)cc1Br ZINC001237069967 1038433968 /nfs/dbraw/zinc/43/39/68/1038433968.db2.gz IRYRBHAZDSQFPG-UHFFFAOYSA-N -1 3 360.248 2.938 20 10 FFCDHM CC[C@H](C)N1CCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3[O-])CC2)C1=O ZINC001276649192 1038948201 /nfs/dbraw/zinc/94/82/01/1038948201.db2.gz KPKMGCDVJNUXMT-AWEZNQCLSA-N -1 3 360.454 2.703 20 10 FFCDHM CN(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251436844 1039130009 /nfs/dbraw/zinc/13/00/09/1039130009.db2.gz PPPDKMKJQXQFRZ-RYUDHWBXSA-N -1 3 367.298 2.850 20 10 FFCDHM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001260741708 1040764540 /nfs/dbraw/zinc/76/45/40/1040764540.db2.gz NVEAOOCWZGRRBS-SNVBAGLBSA-N -1 3 359.403 2.708 20 10 FFCDHM Cc1nc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)ccc1Br ZINC001215328480 1041740685 /nfs/dbraw/zinc/74/06/85/1041740685.db2.gz HLDZNYRJTSGKRO-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM Cc1cc(CN(C)c2nnc(-c3sc4ncccc4c3[O-])n2C)no1 ZINC001262926784 1041967658 /nfs/dbraw/zinc/96/76/58/1041967658.db2.gz OBKQDGHSMMJGTL-UHFFFAOYSA-N -1 3 356.411 2.730 20 10 FFCDHM Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cc1O ZINC001279260464 1042971384 /nfs/dbraw/zinc/97/13/84/1042971384.db2.gz CUUDZRNEILARID-IYBDPMFKSA-N -1 3 373.478 2.704 20 10 FFCDHM COc1cc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)ccn1 ZINC001237939435 1043446553 /nfs/dbraw/zinc/44/65/53/1043446553.db2.gz CXSXSEDCNORRIY-UHFFFAOYSA-N -1 3 351.809 2.911 20 10 FFCDHM O=C(Nc1nnco1)[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279972643 1044013172 /nfs/dbraw/zinc/01/31/72/1044013172.db2.gz SCKNXNZICPEDBV-RFAUZJTJSA-N -1 3 369.208 2.543 20 10 FFCDHM O=C(Nc1nnco1)c1cc2c([nH]1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001279982524 1044030931 /nfs/dbraw/zinc/03/09/31/1044030931.db2.gz RMVOJJVRARPTEN-UHFFFAOYSA-N -1 3 373.800 2.567 20 10 FFCDHM CCN(C(=O)c1noc2c1CN(Cc1cc(F)ccc1[O-])CC2)C(C)C ZINC001280292633 1044558720 /nfs/dbraw/zinc/55/87/20/1044558720.db2.gz DJDZUCZGWNLIJH-UHFFFAOYSA-N -1 3 361.417 2.948 20 10 FFCDHM CCN(C(=O)[C@@H]1CCC2(CN(Cc3cc(F)ccc3[O-])C2)O1)C(C)C ZINC001280292987 1044561675 /nfs/dbraw/zinc/56/16/75/1044561675.db2.gz GCJRWWCUZMAIRN-KRWDZBQOSA-N -1 3 350.434 2.522 20 10 FFCDHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1[O-] ZINC001324919491 1046289259 /nfs/dbraw/zinc/28/92/59/1046289259.db2.gz NUFIVLGKNBTCDO-CQSZACIVSA-N -1 3 363.797 2.655 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001325250861 1046437629 /nfs/dbraw/zinc/43/76/29/1046437629.db2.gz XVGAJHKQVMZWQM-CQSZACIVSA-N -1 3 356.470 2.545 20 10 FFCDHM CCOC(=O)CCNC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001200179124 1055957437 /nfs/dbraw/zinc/95/74/37/1055957437.db2.gz XMKJLKMKIZPBAD-UHFFFAOYSA-N -1 3 367.858 2.511 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C[C@@H](C)O)C1CC1 ZINC001521588734 1060995091 /nfs/dbraw/zinc/99/50/91/1060995091.db2.gz SQLKKMYZDYEGAI-SNVBAGLBSA-N -1 3 359.455 2.630 20 10 FFCDHM C[C@H]1CN(c2ccc(NC(=O)NCc3c([O-])cccc3F)cn2)C[C@H](C)O1 ZINC001476524406 1061426177 /nfs/dbraw/zinc/42/61/77/1061426177.db2.gz AVUWKFIJYUYIIZ-STQMWFEESA-N -1 3 374.416 2.862 20 10 FFCDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c(F)c1 ZINC001464029631 1062388307 /nfs/dbraw/zinc/38/83/07/1062388307.db2.gz UWVZRDROOHBAIN-UHFFFAOYSA-N -1 3 360.750 2.571 20 10 FFCDHM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC001464730305 1062788151 /nfs/dbraw/zinc/78/81/51/1062788151.db2.gz QONOYPKDRNOJTN-AWEZNQCLSA-N -1 3 358.419 2.560 20 10 FFCDHM CN(C)c1nnc(-c2ccc(NC(=O)NCc3c([O-])cccc3F)cc2)o1 ZINC001465900187 1063255773 /nfs/dbraw/zinc/25/57/73/1063255773.db2.gz OALDREFYDWYPIK-UHFFFAOYSA-N -1 3 371.372 2.969 20 10 FFCDHM COC(=O)[C@@]1(NC(=O)c2cccc(O)c2[O-])CC[C@@H](C)c2ccccc21 ZINC001558815338 1076081471 /nfs/dbraw/zinc/08/14/71/1076081471.db2.gz JMAFPOPVABSYBU-MPBGBICISA-N -1 3 355.390 2.793 20 10 FFCDHM C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001589870180 1080818584 /nfs/dbraw/zinc/81/85/84/1080818584.db2.gz PCQQHVAZKSPARW-RYUDHWBXSA-N -1 3 368.397 2.935 20 10 FFCDHM C[C@@H]([NH2+]CCCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960885 1080904521 /nfs/dbraw/zinc/90/45/21/1080904521.db2.gz JREWKIGSMNIKPX-CQSZACIVSA-N -1 3 353.426 2.830 20 10 FFCDHM C[C@@](O)(CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000371116905 512226375 /nfs/dbraw/zinc/22/63/75/512226375.db2.gz HJGPXRGUMKEGCW-VQIMIIECSA-N -1 3 366.889 2.677 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369134623 512243327 /nfs/dbraw/zinc/24/33/27/512243327.db2.gz OIXLGHIYAFECFA-HNNXBMFYSA-N -1 3 366.805 2.623 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000055639181 506810118 /nfs/dbraw/zinc/81/01/18/506810118.db2.gz HKWORVGNQQZFSI-UHFFFAOYSA-N -1 3 368.480 2.866 20 10 FFCDHM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)Cc1ccccc1[O-] ZINC000109770680 507986226 /nfs/dbraw/zinc/98/62/26/507986226.db2.gz FEXLEEISPLDUEC-OAHLLOKOSA-N -1 3 367.449 2.978 20 10 FFCDHM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)Cc1ccccc1[O-] ZINC000111236454 508080703 /nfs/dbraw/zinc/08/07/03/508080703.db2.gz FVGZGZDCUYTGRL-OAHLLOKOSA-N -1 3 367.449 2.978 20 10 FFCDHM C[C@@H](c1ccco1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000094038386 508164598 /nfs/dbraw/zinc/16/45/98/508164598.db2.gz XSZFEVPIVIOKNC-NSHDSACASA-N -1 3 364.423 2.723 20 10 FFCDHM CC[C@H](C)[C@H](C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000094122319 508169646 /nfs/dbraw/zinc/16/96/46/508169646.db2.gz QTSDOVQGGCLQIK-RYUDHWBXSA-N -1 3 354.472 2.803 20 10 FFCDHM Cc1cc(Br)cc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000180259602 509837461 /nfs/dbraw/zinc/83/74/61/509837461.db2.gz OMWXMVBNUVPSOZ-WDEREUQCSA-N -1 3 364.305 2.717 20 10 FFCDHM O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(O)c1[O-] ZINC000187083528 510045756 /nfs/dbraw/zinc/04/57/56/510045756.db2.gz CHCREUPJLJRUAZ-UHFFFAOYSA-N -1 3 359.769 2.774 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1snnc1C ZINC000190545660 510196347 /nfs/dbraw/zinc/19/63/47/510196347.db2.gz RUMPZPHVAIUVTJ-UHFFFAOYSA-N -1 3 356.245 2.977 20 10 FFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCOC[C@@]12CCOC2 ZINC000195016242 510632404 /nfs/dbraw/zinc/63/24/04/510632404.db2.gz ZCRQQZZKHORXIK-NRFANRHFSA-N -1 3 355.434 2.963 20 10 FFCDHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc3c(cc2[O-])OCO3)n1 ZINC000266631469 510698765 /nfs/dbraw/zinc/69/87/65/510698765.db2.gz PPMJWEGLXBFZPQ-LBPRGKRZSA-N -1 3 363.414 2.870 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278104979 510982462 /nfs/dbraw/zinc/98/24/62/510982462.db2.gz ADFZMVZAVBEKKF-UHFFFAOYSA-N -1 3 371.393 2.726 20 10 FFCDHM CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000282550068 511022947 /nfs/dbraw/zinc/02/29/47/511022947.db2.gz SHMSGBUKOKAKRQ-UHFFFAOYSA-N -1 3 356.422 2.657 20 10 FFCDHM COc1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(OC)n1 ZINC000289787181 511115291 /nfs/dbraw/zinc/11/52/91/511115291.db2.gz YLSOYNFHEWCPNV-UHFFFAOYSA-N -1 3 353.762 2.656 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000290776993 511150497 /nfs/dbraw/zinc/15/04/97/511150497.db2.gz WJVOWENDJFHJMH-TZMCWYRMSA-N -1 3 359.382 2.700 20 10 FFCDHM COc1c([O-])c(CN2CC[C@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000290987874 511155664 /nfs/dbraw/zinc/15/56/64/511155664.db2.gz UUTDISXGMVQYAZ-LBPRGKRZSA-N -1 3 352.778 2.606 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC1CCCC1 ZINC000283271740 511302189 /nfs/dbraw/zinc/30/21/89/511302189.db2.gz NBWHHOFTFDOPPY-UHFFFAOYSA-N -1 3 369.259 2.562 20 10 FFCDHM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])sc1C ZINC000280214774 511378138 /nfs/dbraw/zinc/37/81/38/511378138.db2.gz WVAWEYRSOSZCMF-NSHDSACASA-N -1 3 362.407 2.627 20 10 FFCDHM COC(=O)CN(Cc1ccnn1C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000280421052 511458813 /nfs/dbraw/zinc/45/88/13/511458813.db2.gz ZBJUCVRPLAXCDW-UHFFFAOYSA-N -1 3 351.834 2.998 20 10 FFCDHM Cc1ccc(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c([O-])c1O ZINC000272726650 511505410 /nfs/dbraw/zinc/50/54/10/511505410.db2.gz IVPOZCZTGNEXFD-GFCCVEGCSA-N -1 3 363.414 2.795 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1O ZINC000272766539 511506378 /nfs/dbraw/zinc/50/63/78/511506378.db2.gz RJYPYLSUWZCYEE-JSGCOSHPSA-N -1 3 364.442 2.782 20 10 FFCDHM CO[C@@](C)(CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)C1CC1 ZINC000292500445 511620501 /nfs/dbraw/zinc/62/05/01/511620501.db2.gz JUMPVYQLFVRFBA-KRWDZBQOSA-N -1 3 352.818 2.625 20 10 FFCDHM O=C(Nc1ccccc1)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274869407 511970066 /nfs/dbraw/zinc/97/00/66/511970066.db2.gz DHDPPIYHHCQDIS-UHFFFAOYSA-N -1 3 355.394 2.524 20 10 FFCDHM CN(C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1)C(=O)OC(C)(C)C ZINC000274904244 511982542 /nfs/dbraw/zinc/98/25/42/511982542.db2.gz QVPYOWQUNPJHPT-CYBMUJFWSA-N -1 3 364.442 2.817 20 10 FFCDHM COc1c([O-])c(CN2CCC(=O)Nc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000378128308 512604810 /nfs/dbraw/zinc/60/48/10/512604810.db2.gz NWJAVAMYVMZYKE-UHFFFAOYSA-N -1 3 361.329 2.797 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000378517353 512802080 /nfs/dbraw/zinc/80/20/80/512802080.db2.gz PKEMJVUBBIYKOB-ZIAGYGMSSA-N -1 3 363.797 2.944 20 10 FFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738103357 598914563 /nfs/dbraw/zinc/91/45/63/598914563.db2.gz JBQXDTXOZARNFE-UHFFFAOYSA-N -1 3 361.409 2.565 20 10 FFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738103357 598914564 /nfs/dbraw/zinc/91/45/64/598914564.db2.gz JBQXDTXOZARNFE-UHFFFAOYSA-N -1 3 361.409 2.565 20 10 FFCDHM O=[N+]([O-])c1ccc(NCc2ccc(N3CC=CC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738371622 598973672 /nfs/dbraw/zinc/97/36/72/598973672.db2.gz UROPQEHNVLZSSG-UHFFFAOYSA-N -1 3 363.381 2.763 20 10 FFCDHM O=[N+]([O-])c1ccc(NCc2ccc(N3CC=CC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738371622 598973673 /nfs/dbraw/zinc/97/36/73/598973673.db2.gz UROPQEHNVLZSSG-UHFFFAOYSA-N -1 3 363.381 2.763 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736479878 598423271 /nfs/dbraw/zinc/42/32/71/598423271.db2.gz KWEQYTPGOSJSEP-UHFFFAOYSA-N -1 3 351.410 2.554 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736479878 598423274 /nfs/dbraw/zinc/42/32/74/598423274.db2.gz KWEQYTPGOSJSEP-UHFFFAOYSA-N -1 3 351.410 2.554 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736532455 598556685 /nfs/dbraw/zinc/55/66/85/598556685.db2.gz SFCKFBAMQIOYJE-UHFFFAOYSA-N -1 3 368.416 2.782 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736532455 598556687 /nfs/dbraw/zinc/55/66/87/598556687.db2.gz SFCKFBAMQIOYJE-UHFFFAOYSA-N -1 3 368.416 2.782 20 10 FFCDHM Clc1ccc(NCc2ccc(N3CCOCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000737576165 598794775 /nfs/dbraw/zinc/79/47/75/598794775.db2.gz WTUNWMPRCFSXAA-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM Clc1ccc(NCc2ccc(N3CCOCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000737576165 598794776 /nfs/dbraw/zinc/79/47/76/598794776.db2.gz WTUNWMPRCFSXAA-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM CCOc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000821422494 607452553 /nfs/dbraw/zinc/45/25/53/607452553.db2.gz XJKKMIMWFKFXSG-UHFFFAOYSA-N -1 3 370.413 2.550 20 10 FFCDHM C[C@H](N[C@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471941 604359258 /nfs/dbraw/zinc/35/92/58/604359258.db2.gz DLFLMMFKOKNHFO-YVEFUNNKSA-N -1 3 367.877 2.873 20 10 FFCDHM Cc1cc(C(=O)NCC2(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177084 606579963 /nfs/dbraw/zinc/57/99/63/606579963.db2.gz TZEJBNTZXWUJRS-UHFFFAOYSA-N -1 3 350.426 2.804 20 10 FFCDHM O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2)nc[n-]1 ZINC000898159133 735320238 /nfs/dbraw/zinc/32/02/38/735320238.db2.gz OQVSSUYAVDOZRS-NSHDSACASA-N -1 3 355.225 2.563 20 10 FFCDHM CCCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cn1 ZINC000123217013 728656557 /nfs/dbraw/zinc/65/65/57/728656557.db2.gz WJQQPHNGTJVCAE-UHFFFAOYSA-N -1 3 351.834 2.827 20 10 FFCDHM Cc1ccc(S(=O)(=O)NCCN(C)Cc2c([O-])cccc2Cl)cc1 ZINC000131250135 728721867 /nfs/dbraw/zinc/72/18/67/728721867.db2.gz PXDUSMCZAFJPPG-UHFFFAOYSA-N -1 3 368.886 2.764 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1Cl ZINC000135278929 728737085 /nfs/dbraw/zinc/73/70/85/728737085.db2.gz UQLKQXPGPGPGIM-SNVBAGLBSA-N -1 3 368.842 2.908 20 10 FFCDHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000172883623 729033822 /nfs/dbraw/zinc/03/38/22/729033822.db2.gz KBKKYWWXUCBNIH-UHFFFAOYSA-N -1 3 368.480 2.982 20 10 FFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000862252759 730682212 /nfs/dbraw/zinc/68/22/12/730682212.db2.gz GRGMOOAUUVZMPT-XFJVYGCCSA-N -1 3 356.260 2.923 20 10 FFCDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1c([O-])cccc1Br ZINC000862254219 730682721 /nfs/dbraw/zinc/68/27/21/730682721.db2.gz WPJIXBJFWRBFBJ-CYBMUJFWSA-N -1 3 360.248 2.553 20 10 FFCDHM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862337083 730689726 /nfs/dbraw/zinc/68/97/26/730689726.db2.gz QITNBMGLTFYUQA-FZMZJTMJSA-N -1 3 354.244 2.725 20 10 FFCDHM CC1(C)CCN(Cc2c([O-])cccc2Br)CCS1(=O)=O ZINC000862349620 730690448 /nfs/dbraw/zinc/69/04/48/730690448.db2.gz JHARAGRZQPQIQC-UHFFFAOYSA-N -1 3 362.289 2.554 20 10 FFCDHM CS(=O)(=O)C[C@@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862387244 730695650 /nfs/dbraw/zinc/69/56/50/730695650.db2.gz IQTBQICYZUTNMA-NSHDSACASA-N -1 3 362.289 2.554 20 10 FFCDHM COC(=O)CN(Cc1ccc(Cl)nn1)Cc1cc(Cl)ccc1[O-] ZINC000876714739 732271614 /nfs/dbraw/zinc/27/16/14/732271614.db2.gz CQHKDVIWYYCCSW-UHFFFAOYSA-N -1 3 356.209 2.664 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926404579 738611417 /nfs/dbraw/zinc/61/14/17/738611417.db2.gz ZJJHYQIIFNNAAP-TVQRCGJNSA-N -1 3 350.312 2.831 20 10 FFCDHM CC[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000739962693 735063811 /nfs/dbraw/zinc/06/38/11/735063811.db2.gz OFRJBAZJNGFDPC-CJNGLKHVSA-N -1 3 374.934 2.976 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897259151 735211754 /nfs/dbraw/zinc/21/17/54/735211754.db2.gz YEWWGFOPRZMZAD-ZDUSSCGKSA-N -1 3 374.250 2.800 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCc3sc(CN)nc3C2)c1 ZINC000903941990 736192213 /nfs/dbraw/zinc/19/22/13/736192213.db2.gz JNRBNKJOYNGZPT-UHFFFAOYSA-N -1 3 368.300 2.937 20 10 FFCDHM Cc1nccn1CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765735217 737150855 /nfs/dbraw/zinc/15/08/55/737150855.db2.gz DYQOUSQFRWDZLO-UHFFFAOYSA-N -1 3 352.232 2.756 20 10 FFCDHM COC(=O)C1(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCCC1 ZINC000774887320 738036659 /nfs/dbraw/zinc/03/66/59/738036659.db2.gz QKNAZLFMUBITCU-UHFFFAOYSA-N -1 3 352.387 2.617 20 10 FFCDHM Cc1cc(Br)cc(C)c1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000929740182 739016540 /nfs/dbraw/zinc/01/65/40/739016540.db2.gz ITAUVDAKSROLLC-LLVKDONJSA-N -1 3 367.247 2.699 20 10 FFCDHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000790842539 739503311 /nfs/dbraw/zinc/50/33/11/739503311.db2.gz ILFQGYNFYSRPJO-UHFFFAOYSA-N -1 3 364.785 2.518 20 10 FFCDHM O=C(N[C@H](CCO)c1ccccc1Br)c1cccc(O)c1[O-] ZINC000790926341 739514172 /nfs/dbraw/zinc/51/41/72/739514172.db2.gz MNRQKTNVOIQUGX-CYBMUJFWSA-N -1 3 366.211 2.714 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N(CCO)Cc1ccc(Br)s1 ZINC000792014332 739625694 /nfs/dbraw/zinc/62/56/94/739625694.db2.gz ZNDCFXCDFINLCB-UHFFFAOYSA-N -1 3 372.240 2.557 20 10 FFCDHM NC(=O)CN1CCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2C1 ZINC000816594235 742045320 /nfs/dbraw/zinc/04/53/20/742045320.db2.gz UTZVDBVWIUGNIA-UHFFFAOYSA-N -1 3 363.820 2.640 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124497 743214526 /nfs/dbraw/zinc/21/45/26/743214526.db2.gz RDYJJYMUZHYENU-SKDRFNHKSA-N -1 3 354.166 2.900 20 10 FFCDHM CC(C)(C)NC(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825543078 743291369 /nfs/dbraw/zinc/29/13/69/743291369.db2.gz MQXJZKYBUDZOKP-UHFFFAOYSA-N -1 3 370.291 2.780 20 10 FFCDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCOC2)O1 ZINC000825754071 743322313 /nfs/dbraw/zinc/32/23/13/743322313.db2.gz ZFQVPEFBGWWYTR-INIZCTEOSA-N -1 3 356.260 2.925 20 10 FFCDHM Cn1cc(-c2cc3c(nn2)CCN(Cc2c([O-])cccc2Cl)C3)cn1 ZINC000828104716 745028015 /nfs/dbraw/zinc/02/80/15/745028015.db2.gz WBVHUEFOLFLBKI-UHFFFAOYSA-N -1 3 355.829 2.794 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000832298278 745674308 /nfs/dbraw/zinc/67/43/08/745674308.db2.gz KQRRTEGAGVPFJS-XPTSAGLGSA-N -1 3 351.752 2.993 20 10 FFCDHM CC(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C(C)C ZINC000836890966 746326152 /nfs/dbraw/zinc/32/61/52/746326152.db2.gz UNTYFJZGZWMDCE-ZBFHGGJFSA-N -1 3 354.472 2.516 20 10 FFCDHM CC(C)[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CCCC2 ZINC000837189277 746388947 /nfs/dbraw/zinc/38/89/47/746388947.db2.gz DYTFWSJZZZDOET-MRXNPFEDSA-N -1 3 366.483 2.805 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@H]4CCC[C@@H]43)c2c1 ZINC000840147794 747019699 /nfs/dbraw/zinc/01/96/99/747019699.db2.gz YYPGLEMBNWGSCL-HKUYNNGSSA-N -1 3 361.463 2.706 20 10 FFCDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569931 747406353 /nfs/dbraw/zinc/40/63/53/747406353.db2.gz OTRVYZXBMKDIOQ-LBPRGKRZSA-N -1 3 351.472 2.575 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C2CCC2)C2CCCC2)c1 ZINC000843994547 747947431 /nfs/dbraw/zinc/94/74/31/747947431.db2.gz TVNCXCYTWBWUCN-KRWDZBQOSA-N -1 3 366.483 2.852 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000844124760 747973935 /nfs/dbraw/zinc/97/39/35/747973935.db2.gz WBSCZVVRESYRJO-HNNXBMFYSA-N -1 3 352.456 2.559 20 10 FFCDHM COc1c([O-])c(CN[C@@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000846015057 748382833 /nfs/dbraw/zinc/38/28/33/748382833.db2.gz VTBDNLFTFFQTEP-MEBBXXQBSA-N -1 3 350.346 2.660 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000055639163 845335258 /nfs/dbraw/zinc/33/52/58/845335258.db2.gz NSFAZOCBIIVJNL-UHFFFAOYSA-N -1 3 354.453 2.557 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])cccc2Cl)C1=O ZINC001275837037 1013059134 /nfs/dbraw/zinc/05/91/34/1013059134.db2.gz AOQBFRMQKXMSIL-XIKOKIGWSA-N -1 3 350.846 2.590 20 10 FFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823229259 946350853 /nfs/dbraw/zinc/35/08/53/946350853.db2.gz JNUURDKSUFLOTN-UHFFFAOYSA-N -1 3 364.409 2.773 20 10 FFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823229259 946350862 /nfs/dbraw/zinc/35/08/62/946350862.db2.gz JNUURDKSUFLOTN-UHFFFAOYSA-N -1 3 364.409 2.773 20 10 FFCDHM CS[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826225706 947665612 /nfs/dbraw/zinc/66/56/12/947665612.db2.gz ISVPEJZBEUCNGT-LBPRGKRZSA-N -1 3 370.482 2.756 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1cccc(Cl)c1 ZINC000898740857 976660146 /nfs/dbraw/zinc/66/01/46/976660146.db2.gz UYVVWXUXUCFHBH-AWEZNQCLSA-N -1 3 372.856 2.989 20 10 FFCDHM COc1ccnc(O[C@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142530364 982612592 /nfs/dbraw/zinc/61/25/92/982612592.db2.gz GIFUVEPONSKYEH-LBPRGKRZSA-N -1 3 351.353 2.512 20 10 FFCDHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000760660097 984323834 /nfs/dbraw/zinc/32/38/34/984323834.db2.gz PTULDGIJWXESLJ-PXNSSMCTSA-N -1 3 359.397 2.741 20 10 FFCDHM COc1ccc(Cn2nccc2NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780929324 984537327 /nfs/dbraw/zinc/53/73/27/984537327.db2.gz OAXMTWZBMKACLQ-UHFFFAOYSA-N -1 3 353.378 2.912 20 10 FFCDHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000180024470 991401232 /nfs/dbraw/zinc/40/12/32/991401232.db2.gz GILIXEAGXMSSAI-KZULUSFZSA-N -1 3 374.462 2.817 20 10 FFCDHM C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266460 994580242 /nfs/dbraw/zinc/58/02/42/994580242.db2.gz DTFVLLUORAURTN-CYBMUJFWSA-N -1 3 358.442 2.692 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000811603961 995198750 /nfs/dbraw/zinc/19/87/50/995198750.db2.gz JYNYEPUMGRJASY-CWTRNNRKSA-N -1 3 364.442 2.721 20 10 FFCDHM CCc1ncncc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771059369 1000992116 /nfs/dbraw/zinc/99/21/16/1000992116.db2.gz PNNWGTXPWLVVNF-HNNXBMFYSA-N -1 3 374.872 2.792 20 10 FFCDHM Cc1ccc(N2C[C@@]3(CCN(C(=O)c4cccc(O)c4[O-])C3)CC2=O)s1 ZINC001148214124 1001069189 /nfs/dbraw/zinc/06/91/89/1001069189.db2.gz ONCRGUGLIVYHBZ-IBGZPJMESA-N -1 3 372.446 2.737 20 10 FFCDHM CC(C)CC[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C(=O)OC(C)(C)C ZINC001148589940 1001176402 /nfs/dbraw/zinc/17/64/02/1001176402.db2.gz RJDGAISCGUHSNR-LBPRGKRZSA-N -1 3 353.415 2.680 20 10 FFCDHM COc1cc([O-])c(CN(C)CC(=O)OC(C)(C)C)cc1Br ZINC001233137416 1036383704 /nfs/dbraw/zinc/38/37/04/1036383704.db2.gz MTFDDSVKZCAEPY-UHFFFAOYSA-N -1 3 360.248 2.937 20 10 FFCDHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000790887754 1002507763 /nfs/dbraw/zinc/50/77/63/1002507763.db2.gz MPTRSVWVLYPFKU-TZMCWYRMSA-N -1 3 364.442 2.863 20 10 FFCDHM COc1c([O-])c(CN[C@@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000775049430 1003421153 /nfs/dbraw/zinc/42/11/53/1003421153.db2.gz ZZQCAXZYSNERCN-OAHLLOKOSA-N -1 3 371.397 2.839 20 10 FFCDHM CC(=O)Nc1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001193717858 1004566329 /nfs/dbraw/zinc/56/63/29/1004566329.db2.gz HLAGGBMBNMFVMB-UHFFFAOYSA-N -1 3 370.796 2.877 20 10 FFCDHM CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(CC)cc1[O-] ZINC000819698823 1008210449 /nfs/dbraw/zinc/21/04/49/1008210449.db2.gz TUXBWUYVDZHIDJ-UHFFFAOYSA-N -1 3 357.406 2.866 20 10 FFCDHM CN1c2cc(NC(=O)c3cccc(O)c3[O-])ccc2OCC(C)(C)C1=O ZINC000886555901 1008737876 /nfs/dbraw/zinc/73/78/76/1008737876.db2.gz GZVXKAIBFOSCLU-UHFFFAOYSA-N -1 3 356.378 2.732 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccccc1CN1CCOCC1 ZINC000929855292 1019695535 /nfs/dbraw/zinc/69/55/35/1019695535.db2.gz ATNYRPBCCMLNAY-UHFFFAOYSA-N -1 3 359.401 2.685 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392312 1023703887 /nfs/dbraw/zinc/70/38/87/1023703887.db2.gz NJQZXICEZJTHNK-STQMWFEESA-N -1 3 358.442 2.909 20 10 FFCDHM C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713630 1023748893 /nfs/dbraw/zinc/74/88/93/1023748893.db2.gz XDYLDNMBXDHOTH-NHYWBVRUSA-N -1 3 359.357 2.896 20 10 FFCDHM CNC(=O)CCOc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000757592567 1023832961 /nfs/dbraw/zinc/83/29/61/1023832961.db2.gz IWSVTMUQLFWZQH-ZDUSSCGKSA-N -1 3 372.421 2.867 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000757619593 1023838589 /nfs/dbraw/zinc/83/85/89/1023838589.db2.gz RBJNPXNJNDXKAU-DOMZBBRYSA-N -1 3 354.406 2.955 20 10 FFCDHM COCCN(Cc1c([O-])cccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839530 1033184004 /nfs/dbraw/zinc/18/40/04/1033184004.db2.gz BUDKZYUYHKQPMW-CQSZACIVSA-N -1 3 368.449 2.989 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)C[C@H]1CCCO1 ZINC001122035672 1024277333 /nfs/dbraw/zinc/27/73/33/1024277333.db2.gz JKCRSVODQLNGEX-LLVKDONJSA-N -1 3 359.455 2.896 20 10 FFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000193134273 1024397410 /nfs/dbraw/zinc/39/74/10/1024397410.db2.gz NVEARVBJHQGJQT-IEBWSBKVSA-N -1 3 370.449 2.507 20 10 FFCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000193978617 1024721147 /nfs/dbraw/zinc/72/11/47/1024721147.db2.gz RAENACPLTXHJJR-GOSISDBHSA-N -1 3 370.449 2.985 20 10 FFCDHM Cc1ccc(C(=O)Nc2[nH]nc3nc(C(F)(F)F)ccc32)c([O-])c1O ZINC001159610741 1027443728 /nfs/dbraw/zinc/44/37/28/1027443728.db2.gz RFXJKCZBLSABTB-UHFFFAOYSA-N -1 3 352.272 2.949 20 10 FFCDHM CC(C)(C)OC(=O)NCCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203650878 1030804580 /nfs/dbraw/zinc/80/45/80/1030804580.db2.gz FQEGWCRKTITCND-UHFFFAOYSA-N -1 3 369.893 2.688 20 10 FFCDHM O=C(c1cccnc1)N1CCC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203657048 1030810064 /nfs/dbraw/zinc/81/00/64/1030810064.db2.gz CRCNHUYORFBNFU-UHFFFAOYSA-N -1 3 357.841 2.789 20 10 FFCDHM O=C(NCc1ccc([O-])c(Br)c1)NCc1c(O)cccc1F ZINC001224114847 1033723810 /nfs/dbraw/zinc/72/38/10/1033723810.db2.gz PLHLZMHFCKIJBL-UHFFFAOYSA-N -1 3 369.190 2.999 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125497 1033803541 /nfs/dbraw/zinc/80/35/41/1033803541.db2.gz QPUCDPQAXVQIAG-CMKODMSKSA-N -1 3 358.413 2.875 20 10 FFCDHM COC(C[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)OC ZINC001226379269 1034658256 /nfs/dbraw/zinc/65/82/56/1034658256.db2.gz AJIXQRKRNWPHSD-LLVKDONJSA-N -1 3 356.374 2.944 20 10 FFCDHM CCOC(=O)[C@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)C1CC1 ZINC001226385777 1034662575 /nfs/dbraw/zinc/66/25/75/1034662575.db2.gz UBSWTLNPMBOSLB-HXUWFJFHSA-N -1 3 366.369 2.888 20 10 FFCDHM O=C1NCN(c2ccccc2)C12CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139679915 1035196296 /nfs/dbraw/zinc/19/62/96/1035196296.db2.gz ZNFFGTWFTUHLCN-UHFFFAOYSA-N -1 3 373.403 2.599 20 10 FFCDHM CCOC(=O)[C@H]1CN(Cc2c([O-])cccc2Br)CCS1 ZINC001140103283 1035342463 /nfs/dbraw/zinc/34/24/63/1035342463.db2.gz HSWOWUADBBEDPM-CYBMUJFWSA-N -1 3 360.273 2.635 20 10 FFCDHM Cc1cnc2n1CCN(C)C21CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580960 1035661340 /nfs/dbraw/zinc/66/13/40/1035661340.db2.gz NNTNTGZBRVKEAZ-UHFFFAOYSA-N -1 3 362.424 2.612 20 10 FFCDHM C[C@H](O)CCCC(=O)Oc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001228217267 1035999028 /nfs/dbraw/zinc/99/90/28/1035999028.db2.gz VVJUHBKJIKNTBP-NSHDSACASA-N -1 3 354.358 2.624 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCn2cccc2C1 ZINC001232978434 1036211886 /nfs/dbraw/zinc/21/18/86/1036211886.db2.gz HKKZWSQUXWRQHW-UHFFFAOYSA-N -1 3 354.191 2.814 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC2(C1)CCCOC2 ZINC001232976545 1036212579 /nfs/dbraw/zinc/21/25/79/1036212579.db2.gz SGZCSZAWEYMSAU-UHFFFAOYSA-N -1 3 359.207 2.609 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001233332959 1036539392 /nfs/dbraw/zinc/53/93/92/1036539392.db2.gz DPJZZXGVUYUCLD-LIRRHRJNSA-N -1 3 362.376 2.878 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001233333693 1036540752 /nfs/dbraw/zinc/54/07/52/1036540752.db2.gz DZSKMWMYMRTMAZ-UHFFFAOYSA-N -1 3 362.424 2.869 20 10 FFCDHM CO[C@@H](C)CO[C@@H](C)COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192453 1036542855 /nfs/dbraw/zinc/54/28/55/1036542855.db2.gz NCYBFSPCCJKVQB-STQMWFEESA-N -1 3 370.401 2.986 20 10 FFCDHM CO[C@H](C)CO[C@H](C)COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192443 1036543373 /nfs/dbraw/zinc/54/33/73/1036543373.db2.gz NCYBFSPCCJKVQB-CHWSQXEVSA-N -1 3 370.401 2.986 20 10 FFCDHM O=C(c1ccco1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233451422 1036631685 /nfs/dbraw/zinc/63/16/85/1036631685.db2.gz KGHTYTPSJMRUJZ-UHFFFAOYSA-N -1 3 354.328 2.962 20 10 FFCDHM COC(=O)C1CC(Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001229540844 1036729545 /nfs/dbraw/zinc/72/95/45/1036729545.db2.gz DICXHPHFOJSCMN-UHFFFAOYSA-N -1 3 366.369 2.806 20 10 FFCDHM Cc1cc(OCC(=O)OC(C)C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543135 1036732022 /nfs/dbraw/zinc/73/20/22/1036732022.db2.gz VIPNTMNQFXWFLL-UHFFFAOYSA-N -1 3 354.358 2.806 20 10 FFCDHM C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1cnccn1 ZINC001234754067 1037168600 /nfs/dbraw/zinc/16/86/00/1037168600.db2.gz TYWHRARFMDGFJL-VIFPVBQESA-N -1 3 366.329 2.993 20 10 FFCDHM O=C1CCCC[C@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234752768 1037170166 /nfs/dbraw/zinc/17/01/66/1037170166.db2.gz JDLKWLQXBODSOY-CQSZACIVSA-N -1 3 356.330 2.954 20 10 FFCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC001231446885 1037586818 /nfs/dbraw/zinc/58/68/18/1037586818.db2.gz MAQFAUUJBQSIFD-IUODEOHRSA-N -1 3 364.442 2.826 20 10 FFCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC001231446885 1037586836 /nfs/dbraw/zinc/58/68/36/1037586836.db2.gz MAQFAUUJBQSIFD-IUODEOHRSA-N -1 3 364.442 2.826 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c([O-])c1 ZINC001231452006 1037590733 /nfs/dbraw/zinc/59/07/33/1037590733.db2.gz ZHBGEJGNMRWDJM-UHFFFAOYSA-N -1 3 365.389 2.741 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c([O-])c1 ZINC001231452006 1037590740 /nfs/dbraw/zinc/59/07/40/1037590740.db2.gz ZHBGEJGNMRWDJM-UHFFFAOYSA-N -1 3 365.389 2.741 20 10 FFCDHM CCOC[C@H]1Cn2nccc2CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236797972 1038276917 /nfs/dbraw/zinc/27/69/17/1038276917.db2.gz RGFBWPAKWUYWAX-CYBMUJFWSA-N -1 3 365.861 2.919 20 10 FFCDHM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023116 1038331663 /nfs/dbraw/zinc/33/16/63/1038331663.db2.gz LAMJZOLDSUODIX-VCTAVGKDSA-N -1 3 368.836 2.728 20 10 FFCDHM COc1cc([O-])c(CN2CCOCC(F)(F)C2)c(Br)c1 ZINC001237058526 1038427377 /nfs/dbraw/zinc/42/73/77/1038427377.db2.gz ALSQCOBVPCIYAV-UHFFFAOYSA-N -1 3 352.175 2.631 20 10 FFCDHM [O-]c1ccc(F)c(Cl)c1CN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001237122417 1038449066 /nfs/dbraw/zinc/44/90/66/1038449066.db2.gz UXOWTCYSJYWQSW-OAHLLOKOSA-N -1 3 364.848 2.863 20 10 FFCDHM Cc1cc(CN2CC(=O)NC3(CCCC3)C2)c([O-])cc1Br ZINC001250136272 1041126719 /nfs/dbraw/zinc/12/67/19/1041126719.db2.gz PNTRQDXQGRUMDN-UHFFFAOYSA-N -1 3 353.260 2.708 20 10 FFCDHM O=C(Nc1cccnc1)N1CCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001278559332 1041157325 /nfs/dbraw/zinc/15/73/25/1041157325.db2.gz UBXJAQFLSUJLHU-UHFFFAOYSA-N -1 3 358.829 2.933 20 10 FFCDHM Cc1cc([O-])c(CN2CC(N3CCOC(C)(C)C3)C2)cc1Br ZINC001237683361 1043309617 /nfs/dbraw/zinc/30/96/17/1043309617.db2.gz YSUHHMWPYQOPBA-UHFFFAOYSA-N -1 3 369.303 2.758 20 10 FFCDHM COc1cc(C)nc(O[C@@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941445 1043445698 /nfs/dbraw/zinc/44/56/98/1043445698.db2.gz WBFPIGQGPKKWMX-GFCCVEGCSA-N -1 3 367.808 2.945 20 10 FFCDHM [O-]c1cc(Cl)c(F)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001237939537 1043445861 /nfs/dbraw/zinc/44/58/61/1043445861.db2.gz YCQGQGXSAIGEHD-UHFFFAOYSA-N -1 3 364.852 2.993 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]1O ZINC001237949401 1043450475 /nfs/dbraw/zinc/45/04/75/1043450475.db2.gz LEZMAGHJGOBRLV-UKRRQHHQSA-N -1 3 374.840 2.645 20 10 FFCDHM CN(C(=O)[C@@H]1CC12CN(Cc1c([O-])cccc1F)C2)C1CC(F)(F)C1 ZINC001280007743 1044079531 /nfs/dbraw/zinc/07/95/31/1044079531.db2.gz HXPINKMGTJCOLK-ZDUSSCGKSA-N -1 3 354.372 2.609 20 10 FFCDHM CN(C(=O)[C@H]1CC12CN(Cc1c([O-])cccc1F)C2)C1CC(F)(F)C1 ZINC001280007742 1044080694 /nfs/dbraw/zinc/08/06/94/1044080694.db2.gz HXPINKMGTJCOLK-CYBMUJFWSA-N -1 3 354.372 2.609 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000750819456 1052137577 /nfs/dbraw/zinc/13/75/77/1052137577.db2.gz BGZNKEWSRLJJKJ-CQSZACIVSA-N -1 3 374.372 2.724 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCn2c(CC3CC3)nnc2C1 ZINC001347401707 1053939693 /nfs/dbraw/zinc/93/96/93/1053939693.db2.gz UGGMKLSCDRIQAH-UHFFFAOYSA-N -1 3 363.259 2.715 20 10 FFCDHM COc1cc(Br)cc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC001455563541 1059825186 /nfs/dbraw/zinc/82/51/86/1059825186.db2.gz YJUJMSMOJXXRPN-UHFFFAOYSA-N -1 3 352.184 2.799 20 10 FFCDHM CN(Cc1ccc2cc[nH]c2c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001471419991 1064670923 /nfs/dbraw/zinc/67/09/23/1064670923.db2.gz TWQGDVVVVSJENU-UHFFFAOYSA-N -1 3 373.434 2.517 20 10 FFCDHM CN(Cc1ccccc1O)c1c(Br)cccc1-c1nnn[n-]1 ZINC001579262846 1078604491 /nfs/dbraw/zinc/60/44/91/1078604491.db2.gz NHVDGEVNOVAICD-UHFFFAOYSA-N -1 3 360.215 2.971 20 10 FFCDHM CN(Cc1ccccc1O)c1c(Br)cccc1-c1nn[n-]n1 ZINC001579262846 1078604493 /nfs/dbraw/zinc/60/44/93/1078604493.db2.gz NHVDGEVNOVAICD-UHFFFAOYSA-N -1 3 360.215 2.971 20 10 FFCDHM Cc1cc(NCc2cc(Cl)cc(Cl)c2[O-])c(-c2nnn[n-]2)c[nH+]1 ZINC001581034094 1078908184 /nfs/dbraw/zinc/90/81/84/1078908184.db2.gz NPARUVCKHMKWLE-UHFFFAOYSA-N -1 3 351.197 2.617 20 10 FFCDHM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cccc(O)c1[O-])CCC2 ZINC001584027225 1079297668 /nfs/dbraw/zinc/29/76/68/1079297668.db2.gz GFOMHGXUWSHABE-AWEZNQCLSA-N -1 3 355.390 2.734 20 10 FFCDHM O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1c([O-])cccc1F ZINC001558457545 1076010021 /nfs/dbraw/zinc/01/00/21/1076010021.db2.gz ORYOXMLTPSZEIB-UHFFFAOYSA-N -1 3 371.334 2.942 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(Cc1cc(F)ccc1[O-])CCO2 ZINC001561057783 1076326507 /nfs/dbraw/zinc/32/65/07/1076326507.db2.gz XOZIWJRYZVNHOE-LJQANCHMSA-N -1 3 366.433 2.743 20 10 FFCDHM Cc1ccc(N2CCC[C@H](NC(=O)NCc3c([O-])cccc3F)C2=O)cc1 ZINC001564179234 1076612973 /nfs/dbraw/zinc/61/29/73/1076612973.db2.gz HGUBJDRRZHAKGM-KRWDZBQOSA-N -1 3 371.412 2.835 20 10 FFCDHM O=C(NCc1ccc(Br)cn1)NCc1c([O-])cccc1F ZINC001565235437 1076701109 /nfs/dbraw/zinc/70/11/09/1076701109.db2.gz QTBZKZSNDOFDTK-UHFFFAOYSA-N -1 3 354.179 2.688 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589836941 1080788294 /nfs/dbraw/zinc/78/82/94/1080788294.db2.gz RAGXAOLYIRHOMB-QWHCGFSZSA-N -1 3 353.426 2.950 20 10 FFCDHM C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cnn(CC2CCC2)c1 ZINC001589953805 1080900295 /nfs/dbraw/zinc/90/02/95/1080900295.db2.gz VYCSSHGOQGWHHR-STQMWFEESA-N -1 3 367.457 2.981 20 10 FFCDHM C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960956 1080905624 /nfs/dbraw/zinc/90/56/24/1080905624.db2.gz LHPRKQCAEMRBFJ-LBPRGKRZSA-N -1 3 363.425 2.732 20 10 FFCDHM CC[C@@H](NCc1nnc2n1CCOC2)c1cc(Br)ccc1[O-] ZINC000368990836 512171481 /nfs/dbraw/zinc/17/14/81/512171481.db2.gz PEYVVWTXHHMBJG-GFCCVEGCSA-N -1 3 367.247 2.517 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC000094032246 508164026 /nfs/dbraw/zinc/16/40/26/508164026.db2.gz SEYWKHFWKXZUFS-UHFFFAOYSA-N -1 3 366.483 2.949 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000094020200 508164032 /nfs/dbraw/zinc/16/40/32/508164032.db2.gz BCUQPYIYCHYMDL-MRXNPFEDSA-N -1 3 366.483 2.949 20 10 FFCDHM O=C(CC[C@@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134258785 508514022 /nfs/dbraw/zinc/51/40/22/508514022.db2.gz XYZNVGNGSPXKAG-PBHICJAKSA-N -1 3 366.889 2.943 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=COCCC1 ZINC000134258582 508514414 /nfs/dbraw/zinc/51/44/14/508514414.db2.gz RQKHXCGWXXVXOQ-MRXNPFEDSA-N -1 3 350.846 2.821 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCOCC1 ZINC000158108819 508658480 /nfs/dbraw/zinc/65/84/80/508658480.db2.gz ULXBUADCOYKGBL-MRXNPFEDSA-N -1 3 352.862 2.553 20 10 FFCDHM O=C(Nc1nncs1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000377702107 512408888 /nfs/dbraw/zinc/40/88/88/512408888.db2.gz UGAUVYNNWCLDGE-UHFFFAOYSA-N -1 3 352.847 2.748 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c([O-])c1O ZINC000267622808 509570470 /nfs/dbraw/zinc/57/04/70/509570470.db2.gz VETFRJLGQLHLNH-HNNXBMFYSA-N -1 3 356.378 2.776 20 10 FFCDHM COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1[O-] ZINC000268109826 509760779 /nfs/dbraw/zinc/76/07/79/509760779.db2.gz YUSGSKJJCUWIRZ-UHFFFAOYSA-N -1 3 356.422 2.510 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCC(Cn2cncn2)CC1 ZINC000189971582 509860702 /nfs/dbraw/zinc/86/07/02/509860702.db2.gz LDULQIJRCOXYMG-UHFFFAOYSA-N -1 3 351.248 2.658 20 10 FFCDHM CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cc(F)ccc1[O-] ZINC000180535562 509972442 /nfs/dbraw/zinc/97/24/42/509972442.db2.gz CJURCTMCORYMKQ-UHFFFAOYSA-N -1 3 366.458 2.898 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1O ZINC000177666221 510189127 /nfs/dbraw/zinc/18/91/27/510189127.db2.gz VKJXXCZGJZNHPH-CQSZACIVSA-N -1 3 370.453 2.744 20 10 FFCDHM Cc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c([O-])c1O ZINC000177670109 510192384 /nfs/dbraw/zinc/19/23/84/510192384.db2.gz FOJCLLGAOWMXGB-UHFFFAOYSA-N -1 3 360.454 2.661 20 10 FFCDHM COc1ccc(CNC(=O)CN[C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187671321 510379490 /nfs/dbraw/zinc/37/94/90/510379490.db2.gz RWCLMBIATPYBMA-LLVKDONJSA-N -1 3 350.365 2.646 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)Cc1cccs1 ZINC000181587676 510487070 /nfs/dbraw/zinc/48/70/70/510487070.db2.gz CNHRXROSDWYIGM-UHFFFAOYSA-N -1 3 353.827 2.851 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@@H](CN2CCOCC2)c2ccccc2)c1[O-] ZINC000182185082 510802972 /nfs/dbraw/zinc/80/29/72/510802972.db2.gz CZBCYHFUBOGRRH-FQEVSTJZSA-N -1 3 372.440 2.897 20 10 FFCDHM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)CC1 ZINC000275623520 510908122 /nfs/dbraw/zinc/90/81/22/510908122.db2.gz RSCOQSVNOXYVSW-UHFFFAOYSA-N -1 3 353.422 2.621 20 10 FFCDHM COCCOCCOCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000276261916 510932329 /nfs/dbraw/zinc/93/23/29/510932329.db2.gz WTKGHAZMDAHRLS-UHFFFAOYSA-N -1 3 352.258 2.810 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cncc(OC)n1 ZINC000276803757 510946715 /nfs/dbraw/zinc/94/67/15/510946715.db2.gz RDAOBAHAPDJEFF-UHFFFAOYSA-N -1 3 366.215 2.616 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cn(C(C)C)cn1 ZINC000282398415 510960859 /nfs/dbraw/zinc/96/08/59/510960859.db2.gz QFKFGMKXRDTCDZ-UHFFFAOYSA-N -1 3 365.817 2.638 20 10 FFCDHM CCN(CC)c1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1F ZINC000277450583 510963931 /nfs/dbraw/zinc/96/39/31/510963931.db2.gz UZZACPPUTYGPAJ-OAHLLOKOSA-N -1 3 368.449 2.947 20 10 FFCDHM COCCn1cc(CN[C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000282435410 510976301 /nfs/dbraw/zinc/97/63/01/510976301.db2.gz DLXKNDCUMMKVHA-NSHDSACASA-N -1 3 354.248 2.848 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1OCCC(F)(F)F ZINC000277915066 510976351 /nfs/dbraw/zinc/97/63/51/510976351.db2.gz PQZLMNIVDTVERC-UHFFFAOYSA-N -1 3 352.696 2.694 20 10 FFCDHM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271225256 511127963 /nfs/dbraw/zinc/12/79/63/511127963.db2.gz QSRUACHWZOYGFJ-SNVBAGLBSA-N -1 3 366.464 2.585 20 10 FFCDHM C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446047 511526032 /nfs/dbraw/zinc/52/60/32/511526032.db2.gz ZWRCQMPTYHQPRA-KGLIPLIRSA-N -1 3 372.425 2.771 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1O ZINC000293175063 511869843 /nfs/dbraw/zinc/86/98/43/511869843.db2.gz YXVPNDQXFFSIJX-FQEVSTJZSA-N -1 3 359.397 2.613 20 10 FFCDHM O=S1(=O)C[C@H](NCc2cc(Br)ccc2[O-])c2ccccc21 ZINC000364058962 511936622 /nfs/dbraw/zinc/93/66/22/511936622.db2.gz XWKLBXIBLHBXTF-ZDUSSCGKSA-N -1 3 368.252 2.773 20 10 FFCDHM COc1ccc(C2(CNC(=O)c3cccc(O)c3[O-])CCOCC2)cc1 ZINC000274943624 511995510 /nfs/dbraw/zinc/99/55/10/511995510.db2.gz GSPWCTOMHZKYJO-UHFFFAOYSA-N -1 3 357.406 2.585 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375694324 512459526 /nfs/dbraw/zinc/45/95/26/512459526.db2.gz UXZFDXRFKYYLFU-HNNXBMFYSA-N -1 3 366.259 2.823 20 10 FFCDHM Cc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c([O-])c1O ZINC000371666949 512518207 /nfs/dbraw/zinc/51/82/07/512518207.db2.gz XZXFBSRHVRWFLR-KRWDZBQOSA-N -1 3 366.417 2.994 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000375823214 512525558 /nfs/dbraw/zinc/52/55/58/512525558.db2.gz JGWDUACDZNTOTH-SJLPKXTDSA-N -1 3 361.417 2.556 20 10 FFCDHM O=C(Cc1ccncc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378603039 512845128 /nfs/dbraw/zinc/84/51/28/512845128.db2.gz YJLIESNTQODERL-QGZVFWFLSA-N -1 3 359.857 2.764 20 10 FFCDHM O=C(C[C@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370809912 513107210 /nfs/dbraw/zinc/10/72/10/513107210.db2.gz KVCVNYCZUFBQNT-CJNGLKHVSA-N -1 3 352.862 2.553 20 10 FFCDHM Cc1cc(C(=O)NCC2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234349 598610616 /nfs/dbraw/zinc/61/06/16/598610616.db2.gz JSUGRLYHSXTOFT-UHFFFAOYSA-N -1 3 350.426 2.804 20 10 FFCDHM c1csc(SCCCNc2c(-c3nnn[n-]3)cnc3ccccc32)n1 ZINC000826523804 607519977 /nfs/dbraw/zinc/51/99/77/607519977.db2.gz YHJSLNCILMYBCV-UHFFFAOYSA-N -1 3 369.479 2.888 20 10 FFCDHM c1csc(SCCCNc2c(-c3nn[n-]n3)cnc3ccccc32)n1 ZINC000826523804 607519979 /nfs/dbraw/zinc/51/99/79/607519979.db2.gz YHJSLNCILMYBCV-UHFFFAOYSA-N -1 3 369.479 2.888 20 10 FFCDHM O=C([O-])N1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000831946750 604193830 /nfs/dbraw/zinc/19/38/30/604193830.db2.gz BANWDOREQDKTQT-MRXNPFEDSA-N -1 3 367.877 2.742 20 10 FFCDHM COc1cccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1O ZINC000833735283 604621468 /nfs/dbraw/zinc/62/14/68/604621468.db2.gz IYCSHZNDLHHVRE-AWEZNQCLSA-N -1 3 356.422 2.810 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000826273966 608270197 /nfs/dbraw/zinc/27/01/97/608270197.db2.gz BNCHWWXUKAXGDP-UHFFFAOYSA-N -1 3 358.409 2.740 20 10 FFCDHM Cc1ccc(-c2nn[n-]n2)c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000826273966 608270199 /nfs/dbraw/zinc/27/01/99/608270199.db2.gz BNCHWWXUKAXGDP-UHFFFAOYSA-N -1 3 358.409 2.740 20 10 FFCDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC000824761927 608417936 /nfs/dbraw/zinc/41/79/36/608417936.db2.gz DBAPKQRZPUQTRY-ZDUSSCGKSA-N -1 3 350.426 2.893 20 10 FFCDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC000824761927 608417937 /nfs/dbraw/zinc/41/79/37/608417937.db2.gz DBAPKQRZPUQTRY-ZDUSSCGKSA-N -1 3 350.426 2.893 20 10 FFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000023397949 727845653 /nfs/dbraw/zinc/84/56/53/727845653.db2.gz JCAORBSQHNFPNX-UHFFFAOYSA-N -1 3 360.844 2.512 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000063849059 728139020 /nfs/dbraw/zinc/13/90/20/728139020.db2.gz JVIKFJVGBNBDIL-UHFFFAOYSA-N -1 3 354.453 2.639 20 10 FFCDHM C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093928702 728478890 /nfs/dbraw/zinc/47/88/90/728478890.db2.gz YOSDWGRWMUTOQR-NSHDSACASA-N -1 3 366.414 2.736 20 10 FFCDHM C[C@H](c1cccs1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094016180 728479160 /nfs/dbraw/zinc/47/91/60/728479160.db2.gz RRCWAWBKPZSDLU-SNVBAGLBSA-N -1 3 354.453 2.658 20 10 FFCDHM C[C@@H](c1cccs1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094016179 728479223 /nfs/dbraw/zinc/47/92/23/728479223.db2.gz RRCWAWBKPZSDLU-JTQLQIEISA-N -1 3 354.453 2.658 20 10 FFCDHM O=C(CN1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCCCCC1 ZINC000121675529 728635386 /nfs/dbraw/zinc/63/53/86/728635386.db2.gz BJOOZJAPIPAVJY-UHFFFAOYSA-N -1 3 365.905 2.566 20 10 FFCDHM C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000856228374 730318083 /nfs/dbraw/zinc/31/80/83/730318083.db2.gz XURCSZHJSWVEGD-GFCCVEGCSA-N -1 3 354.472 2.710 20 10 FFCDHM COC(=O)CN(Cc1cn(C)nc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000857019916 730373249 /nfs/dbraw/zinc/37/32/49/730373249.db2.gz OJIOINLHHBZTMD-UHFFFAOYSA-N -1 3 358.225 2.608 20 10 FFCDHM CCOCc1nc([C@@H](C)NCc2c([O-])cccc2Br)no1 ZINC000862370668 730693229 /nfs/dbraw/zinc/69/32/29/730693229.db2.gz PZIWGMAYJMRUBD-SECBINFHSA-N -1 3 356.220 2.925 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(C2CCC2)C2CCC2)c1 ZINC000862399460 730697406 /nfs/dbraw/zinc/69/74/06/730697406.db2.gz SGYCZJMWJFYVJN-UHFFFAOYSA-N -1 3 366.483 2.710 20 10 FFCDHM CCOC(=O)[C@H](NCc1cc(F)ccc1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000862427769 730701333 /nfs/dbraw/zinc/70/13/33/730701333.db2.gz GGLJQVDYECMQAY-SJORKVTESA-N -1 3 367.804 2.940 20 10 FFCDHM CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000862544029 730708391 /nfs/dbraw/zinc/70/83/91/730708391.db2.gz RSIIRXQOOQDNTQ-UHFFFAOYSA-N -1 3 362.813 2.887 20 10 FFCDHM CCC(=O)N1CCCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781903093 738669575 /nfs/dbraw/zinc/66/95/75/738669575.db2.gz XPSVPKLJBXXUOU-UHFFFAOYSA-N -1 3 355.276 2.907 20 10 FFCDHM C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1c([O-])cccc1F ZINC000886500157 733798766 /nfs/dbraw/zinc/79/87/66/733798766.db2.gz IODIIRXSVILISO-LBPRGKRZSA-N -1 3 352.431 2.632 20 10 FFCDHM NCc1nc2c(s1)CCN(Cc1cccc(Br)c1[O-])C2 ZINC000903941315 736192002 /nfs/dbraw/zinc/19/20/02/736192002.db2.gz YOHQFKOUCPKHJP-UHFFFAOYSA-N -1 3 354.273 2.628 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1SCCS1 ZINC000761983023 736779094 /nfs/dbraw/zinc/77/90/94/736779094.db2.gz PXYNONXVRHLHJP-ZDUSSCGKSA-N -1 3 372.943 2.932 20 10 FFCDHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769958381 737586934 /nfs/dbraw/zinc/58/69/34/737586934.db2.gz UDFHQYIEGGKPRN-ZFWWWQNUSA-N -1 3 372.512 2.558 20 10 FFCDHM CCCCC[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770030812 737590225 /nfs/dbraw/zinc/59/02/25/737590225.db2.gz SQBRFEHAAKAEAE-CQSZACIVSA-N -1 3 354.472 2.949 20 10 FFCDHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775878336 738134934 /nfs/dbraw/zinc/13/49/34/738134934.db2.gz AQXDNHZROVYOTA-CABCVRRESA-N -1 3 369.845 2.791 20 10 FFCDHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776658132 738219471 /nfs/dbraw/zinc/21/94/71/738219471.db2.gz MECMWGQYMJCXHY-UHFFFAOYSA-N -1 3 350.396 2.502 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C[C@@H]1CCCS1(=O)=O ZINC000929755162 739018400 /nfs/dbraw/zinc/01/84/00/739018400.db2.gz JQQSICXPGNQEIQ-ZDUSSCGKSA-N -1 3 362.289 2.554 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1 ZINC000790416123 739450834 /nfs/dbraw/zinc/45/08/34/739450834.db2.gz RHMPGMLZYSDTBD-IZZDOVSWSA-N -1 3 361.419 2.942 20 10 FFCDHM O=C(Nc1cc(I)ccc1O)c1cccc(O)c1[O-] ZINC000790665421 739483602 /nfs/dbraw/zinc/48/36/02/739483602.db2.gz DPRGUUXPTCCBBF-UHFFFAOYSA-N -1 3 371.130 2.660 20 10 FFCDHM CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1F ZINC000817039343 742082607 /nfs/dbraw/zinc/08/26/07/742082607.db2.gz QEFCTHYWHUVFQX-UHFFFAOYSA-N -1 3 366.414 2.568 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000817882135 742220538 /nfs/dbraw/zinc/22/05/38/742220538.db2.gz ZWHOIEDARDIBTB-MWLCHTKSSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000817882135 742220539 /nfs/dbraw/zinc/22/05/39/742220539.db2.gz ZWHOIEDARDIBTB-MWLCHTKSSA-N -1 3 358.232 2.706 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825278856 743240098 /nfs/dbraw/zinc/24/00/98/743240098.db2.gz JTMXTWSXXUDWOB-ZDUSSCGKSA-N -1 3 370.291 2.699 20 10 FFCDHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(Br)cc1[O-] ZINC000825650893 743306676 /nfs/dbraw/zinc/30/66/76/743306676.db2.gz AMRRVONPBRHLIS-XEGUGMAKSA-N -1 3 354.244 2.928 20 10 FFCDHM CN(Cc1ncnn1CC(F)F)Cc1ccc(Br)cc1[O-] ZINC000825726650 743319101 /nfs/dbraw/zinc/31/91/01/743319101.db2.gz UXKHMHNGMWAGCZ-UHFFFAOYSA-N -1 3 361.190 2.643 20 10 FFCDHM COC(=O)CN(Cc1nnc(C2CC2)s1)Cc1cc(Cl)ccc1[O-] ZINC000828294492 745052114 /nfs/dbraw/zinc/05/21/14/745052114.db2.gz ZRVPJJSVXGYXPN-UHFFFAOYSA-N -1 3 367.858 2.950 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000835082224 745947327 /nfs/dbraw/zinc/94/73/27/745947327.db2.gz PKDHIZBSEPULDG-AWEZNQCLSA-N -1 3 354.422 2.647 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1cncnc1OC ZINC000843395949 747825502 /nfs/dbraw/zinc/82/55/02/747825502.db2.gz VYNCRWXTPOFQKP-UHFFFAOYSA-N -1 3 352.232 2.975 20 10 FFCDHM O=S(=O)(CCNCc1cc(Cl)cc(Cl)c1[O-])CC(F)(F)F ZINC000850363814 749352666 /nfs/dbraw/zinc/35/26/66/749352666.db2.gz IREDFOGAVHOHFT-UHFFFAOYSA-N -1 3 366.188 2.766 20 10 FFCDHM CC[C@H](NCc1nc(C(N)=O)cs1)c1cc(Br)ccc1[O-] ZINC000850541560 749384051 /nfs/dbraw/zinc/38/40/51/749384051.db2.gz XUNKPICBUXHBFM-JTQLQIEISA-N -1 3 370.272 2.951 20 10 FFCDHM O=C(NCC[C@H]1CCC2(CCOCC2)CO1)NCc1c([O-])cccc1F ZINC000924042126 960379143 /nfs/dbraw/zinc/37/91/43/960379143.db2.gz CPBGTXGGLCNPGR-CQSZACIVSA-N -1 3 366.433 2.696 20 10 FFCDHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000286335778 968346304 /nfs/dbraw/zinc/34/63/04/968346304.db2.gz LRYAGGHICUSBQW-CXAGYDPISA-N -1 3 374.462 2.987 20 10 FFCDHM CC[C@H](C)N1CC[C@@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271433876 972993081 /nfs/dbraw/zinc/99/30/81/972993081.db2.gz PHIWZYPVPILTTI-XOBRGWDASA-N -1 3 360.454 2.741 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nnc2cc[nH]cc1-2 ZINC001152104335 1032104143 /nfs/dbraw/zinc/10/41/43/1032104143.db2.gz OUGYALSLGMCBNC-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1[nH]nc2ccncc21 ZINC001152104335 1032104149 /nfs/dbraw/zinc/10/41/49/1032104149.db2.gz OUGYALSLGMCBNC-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM Cc1cc(CC(=O)NCc2nc(C)cc(=O)[n-]2)c(C)n1-c1ccccc1 ZINC000898257693 982657147 /nfs/dbraw/zinc/65/71/47/982657147.db2.gz AECLMONFPTYKNO-UHFFFAOYSA-N -1 3 350.422 2.757 20 10 FFCDHM CCO[C@@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232978375 986350329 /nfs/dbraw/zinc/35/03/29/986350329.db2.gz FCNGBKAHOZSWHO-CYBMUJFWSA-N -1 3 361.223 2.998 20 10 FFCDHM NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527004 993078947 /nfs/dbraw/zinc/07/89/47/993078947.db2.gz BBAZNVWJDAQIBL-UHFFFAOYSA-N -1 3 373.756 2.608 20 10 FFCDHM C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246010 994444466 /nfs/dbraw/zinc/44/44/66/994444466.db2.gz FZPQMFUWWPFORL-ANRSDYALSA-N -1 3 355.312 2.892 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)O1 ZINC000844740390 998109827 /nfs/dbraw/zinc/10/98/27/998109827.db2.gz HSFSZUCYMIJEPB-SGTLLEGYSA-N -1 3 359.422 2.780 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(n2cnnc2)CC1 ZINC001144306541 998301782 /nfs/dbraw/zinc/30/17/82/998301782.db2.gz GIKVLGFARLVMQO-UHFFFAOYSA-N -1 3 355.211 2.722 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148218601 1001071859 /nfs/dbraw/zinc/07/18/59/1001071859.db2.gz HHSIRXGGOMRYQW-IBGZPJMESA-N -1 3 364.442 2.865 20 10 FFCDHM COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc(O)c1[O-] ZINC001148224751 1001074781 /nfs/dbraw/zinc/07/47/81/1001074781.db2.gz UQCRTPYCUIREEU-KRWDZBQOSA-N -1 3 365.385 2.765 20 10 FFCDHM Cc1cc(C)c(NC(=O)c2cc(O)c([O-])c(O)c2)c(Br)n1 ZINC001148580675 1001174481 /nfs/dbraw/zinc/17/44/81/1001174481.db2.gz JLPUPHZYFQGAJJ-UHFFFAOYSA-N -1 3 353.172 2.830 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CC1)OCCc1ccccc12 ZINC001148583998 1001175854 /nfs/dbraw/zinc/17/58/54/1001175854.db2.gz KHFQBAMDGOISHA-UHFFFAOYSA-N -1 3 355.390 2.508 20 10 FFCDHM CN1C(=O)N[C@](C)(c2ccc(NCc3cc(F)c(F)cc3[O-])cc2)C1=O ZINC001182594140 1001970305 /nfs/dbraw/zinc/97/03/05/1001970305.db2.gz FBRNSFBAFPVFGW-GOSISDBHSA-N -1 3 361.348 2.679 20 10 FFCDHM O=C(N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cccc(O)c1[O-] ZINC000790557070 1002411415 /nfs/dbraw/zinc/41/14/15/1002411415.db2.gz NABHXWZOKFCISX-HNNXBMFYSA-N -1 3 361.401 2.842 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cccc(O)c2[O-])C1 ZINC000790927425 1002512811 /nfs/dbraw/zinc/51/28/11/1002512811.db2.gz GAIXNGBRFGGZEJ-LJQANCHMSA-N -1 3 364.442 2.865 20 10 FFCDHM Cc1ccc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c([O-])c1O ZINC000804729991 1003822957 /nfs/dbraw/zinc/82/29/57/1003822957.db2.gz URNCBMOWYXIFFC-UHFFFAOYSA-N -1 3 364.348 2.773 20 10 FFCDHM CCn1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1=O ZINC001194482166 1004744290 /nfs/dbraw/zinc/74/42/90/1004744290.db2.gz XAPMAARTWYSOGK-UHFFFAOYSA-N -1 3 357.797 2.705 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875492 1008233070 /nfs/dbraw/zinc/23/30/70/1008233070.db2.gz QHLVJUPNRQAGGL-SGTLLEGYSA-N -1 3 354.406 2.543 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc(NCc2ccccc2)ccn1 ZINC001178416557 1008985762 /nfs/dbraw/zinc/98/57/62/1008985762.db2.gz ICABQUVYPPPTKV-UHFFFAOYSA-N -1 3 351.381 2.890 20 10 FFCDHM COc1ccc(N2CC[C@@H](CNC(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000823726816 1009207650 /nfs/dbraw/zinc/20/76/50/1009207650.db2.gz XWCGBGLUZZVYHO-HNNXBMFYSA-N -1 3 373.428 2.866 20 10 FFCDHM COCC(=O)N1CCCc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC000888034686 1009732133 /nfs/dbraw/zinc/73/21/33/1009732133.db2.gz GHQPKDMRQKIROM-UHFFFAOYSA-N -1 3 370.405 2.584 20 10 FFCDHM CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)CO1 ZINC000928710502 1019083949 /nfs/dbraw/zinc/08/39/49/1019083949.db2.gz NLRUHNYZHJLKJM-OLZOCXBDSA-N -1 3 367.417 2.675 20 10 FFCDHM CCOc1ccccc1[C@H](CC(=O)NCc1c([O-])cccc1F)NC(C)=O ZINC000928712059 1019087121 /nfs/dbraw/zinc/08/71/21/1019087121.db2.gz NSKUPZDIBZXXJK-KRWDZBQOSA-N -1 3 374.412 2.814 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC001122036894 1024279472 /nfs/dbraw/zinc/27/94/72/1024279472.db2.gz VZGGAGYZCHJHKG-VOJFVSQTSA-N -1 3 371.466 2.753 20 10 FFCDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839786598 1026827610 /nfs/dbraw/zinc/82/76/10/1026827610.db2.gz WEBDSAYZOOYEQX-AWEZNQCLSA-N -1 3 358.413 2.831 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2cccnc2c1[O-] ZINC001153856281 1028028268 /nfs/dbraw/zinc/02/82/68/1028028268.db2.gz UAQBYTNDKOOWMW-UHFFFAOYSA-N -1 3 350.422 2.651 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c([O-])c1O ZINC000780858293 1028834482 /nfs/dbraw/zinc/83/44/82/1028834482.db2.gz BVVKUNLMAIITNJ-ZDUSSCGKSA-N -1 3 370.405 2.567 20 10 FFCDHM O=C([O-])c1cccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840995125 1029968037 /nfs/dbraw/zinc/96/80/37/1029968037.db2.gz NVIBUXLMTLEZJM-UHFFFAOYSA-N -1 3 362.376 2.789 20 10 FFCDHM O=C(Cc1ccccc1)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527007 1030579836 /nfs/dbraw/zinc/57/98/36/1030579836.db2.gz GDKCZVVCEWNDHY-UHFFFAOYSA-N -1 3 360.404 2.947 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001276946189 1033716587 /nfs/dbraw/zinc/71/65/87/1033716587.db2.gz YUGIFLNHUSICDP-DJJJIMSYSA-N -1 3 368.424 2.520 20 10 FFCDHM COC(=O)[C@@]1(C)C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226384123 1034662434 /nfs/dbraw/zinc/66/24/34/1034662434.db2.gz MGNHUWPYGYCBRI-XROVZCQNSA-N -1 3 366.369 2.888 20 10 FFCDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1c([O-])cccc1Br ZINC001140101296 1035341836 /nfs/dbraw/zinc/34/18/36/1035341836.db2.gz QFHOMVLFUQSACS-JTQLQIEISA-N -1 3 350.159 2.537 20 10 FFCDHM CCOC(=O)[C@@H]1CN(Cc2c([O-])cccc2Br)CCS1 ZINC001140103284 1035342900 /nfs/dbraw/zinc/34/29/00/1035342900.db2.gz HSWOWUADBBEDPM-ZDUSSCGKSA-N -1 3 360.273 2.635 20 10 FFCDHM CC(C)(C)OC(=O)N1CCOC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001140337953 1035442758 /nfs/dbraw/zinc/44/27/58/1035442758.db2.gz ONHAPFKNFSZMGV-UHFFFAOYSA-N -1 3 368.861 2.867 20 10 FFCDHM CC(C)N(C)Cc1nnc2n1CCCN(Cc1c([O-])cccc1Cl)C2 ZINC001140343943 1035446115 /nfs/dbraw/zinc/44/61/15/1035446115.db2.gz ALGMKWOEVSMPGK-UHFFFAOYSA-N -1 3 363.893 2.883 20 10 FFCDHM COc1cc(OC[C@@H]2CCO2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227394342 1035532141 /nfs/dbraw/zinc/53/21/41/1035532141.db2.gz ASZMDYOFBJPRRB-NSHDSACASA-N -1 3 354.358 2.652 20 10 FFCDHM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CCc2nccn2C1 ZINC001227577713 1035614508 /nfs/dbraw/zinc/61/45/08/1035614508.db2.gz MXIZTCCEYFEWSJ-GFCCVEGCSA-N -1 3 360.369 2.758 20 10 FFCDHM O=C1NCN(c2ccccc2)C12CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140580293 1035659000 /nfs/dbraw/zinc/65/90/00/1035659000.db2.gz WHWULXMVUMFTHO-UHFFFAOYSA-N -1 3 373.403 2.599 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cccc(Cl)c2[O-])N1Cc1cnoc1 ZINC001277231235 1035667623 /nfs/dbraw/zinc/66/76/23/1035667623.db2.gz AEDVZIBEYUYZDL-HZPDHXFCSA-N -1 3 361.829 2.799 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277232706 1035682559 /nfs/dbraw/zinc/68/25/59/1035682559.db2.gz XNKQDVKOEHETRS-UGSOOPFHSA-N -1 3 352.862 2.647 20 10 FFCDHM CC1=C(Oc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)C(=O)O[C@@H]1C ZINC001228215951 1035998672 /nfs/dbraw/zinc/99/86/72/1035998672.db2.gz BWHKVJUUQDAWAT-SNVBAGLBSA-N -1 3 350.326 2.766 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001232976138 1036210919 /nfs/dbraw/zinc/21/09/19/1036210919.db2.gz ORQDOPPRKZJIRX-IAQYHMDHSA-N -1 3 373.234 2.998 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC3(CCO3)CC2)c1 ZINC001233308115 1036513997 /nfs/dbraw/zinc/51/39/97/1036513997.db2.gz CQCBOAUMCXQWEJ-UHFFFAOYSA-N -1 3 370.243 2.696 20 10 FFCDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2F)CC1)N1CCCCC1 ZINC001233336768 1036544534 /nfs/dbraw/zinc/54/45/34/1036544534.db2.gz ZOFRYTRFWOAHTI-UHFFFAOYSA-N -1 3 353.413 2.830 20 10 FFCDHM CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cccc(C(F)(F)F)c2[O-])O1 ZINC001233418266 1036611154 /nfs/dbraw/zinc/61/11/54/1036611154.db2.gz ZPDRVOKPJPJTQV-KFWWJZLASA-N -1 3 372.387 2.667 20 10 FFCDHM CC(C)[C@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC001230412434 1037274847 /nfs/dbraw/zinc/27/48/47/1037274847.db2.gz QVJAIQHRMVOOLG-LBPRGKRZSA-N -1 3 354.422 2.944 20 10 FFCDHM CN(C)C(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235064500 1037335484 /nfs/dbraw/zinc/33/54/84/1037335484.db2.gz FRJBREQZKDQGSY-SNVBAGLBSA-N -1 3 359.239 2.594 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c([O-])c1 ZINC001231453050 1037594487 /nfs/dbraw/zinc/59/44/87/1037594487.db2.gz AZLJVUGROOPZEZ-UHFFFAOYSA-N -1 3 363.801 2.577 20 10 FFCDHM CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231454543 1037595359 /nfs/dbraw/zinc/59/53/59/1037595359.db2.gz ZRUINPDQHHCCFG-UHFFFAOYSA-N -1 3 368.433 2.827 20 10 FFCDHM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001231560130 1037684077 /nfs/dbraw/zinc/68/40/77/1037684077.db2.gz AIHGZLCNLVOJHU-ZDUSSCGKSA-N -1 3 364.442 2.779 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231564917 1037689495 /nfs/dbraw/zinc/68/94/95/1037689495.db2.gz KCOWZEJOQZVQRF-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231564917 1037689506 /nfs/dbraw/zinc/68/95/06/1037689506.db2.gz KCOWZEJOQZVQRF-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM CCOC[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2ncn(C)c21 ZINC001236794627 1038274905 /nfs/dbraw/zinc/27/49/05/1038274905.db2.gz CHCGLCSGCZKGBC-GFCCVEGCSA-N -1 3 365.861 2.924 20 10 FFCDHM COc1cc([O-])c(CN2CCN(CCc3ccccn3)CC2)c(Cl)c1 ZINC001236799375 1038278224 /nfs/dbraw/zinc/27/82/24/1038278224.db2.gz NIPPCAQYOXKYAI-UHFFFAOYSA-N -1 3 361.873 2.810 20 10 FFCDHM COc1ccc(CN2CCN(c3cc(C)nc(C)n3)CC2)c([O-])c1Cl ZINC001236806722 1038279549 /nfs/dbraw/zinc/27/95/49/1038279549.db2.gz AADOHZAOFYYSNP-UHFFFAOYSA-N -1 3 362.861 2.783 20 10 FFCDHM COc1cc([O-])c(CN2CCC(F)(F)[C@@H](CO)C2)c(Br)c1 ZINC001237061780 1038430127 /nfs/dbraw/zinc/43/01/27/1038430127.db2.gz HSACYOQDCHZESZ-SECBINFHSA-N -1 3 366.202 2.613 20 10 FFCDHM COc1cc([O-])c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(Br)c1 ZINC001237066725 1038431385 /nfs/dbraw/zinc/43/13/85/1038431385.db2.gz ZOKUVXDTFKKNEJ-MFKMUULPSA-N -1 3 364.186 2.629 20 10 FFCDHM COc1cc([O-])c(CN2CCn3c(C)ncc3C2)c(Br)c1 ZINC001237064915 1038431461 /nfs/dbraw/zinc/43/14/61/1038431461.db2.gz KTGLFSGGTVVWNQ-UHFFFAOYSA-N -1 3 352.232 2.684 20 10 FFCDHM COC(=O)[C@@H]1CCCCN1Cc1c([O-])cc(OC)cc1Br ZINC001237065815 1038431561 /nfs/dbraw/zinc/43/15/61/1038431561.db2.gz RTIFCDXCOPBLCU-ZDUSSCGKSA-N -1 3 358.232 2.691 20 10 FFCDHM O=C(Cc1ccsc1)N1CC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001278491011 1039879530 /nfs/dbraw/zinc/87/95/30/1039879530.db2.gz OSAIQRUBFDNULX-UHFFFAOYSA-N -1 3 362.882 2.994 20 10 FFCDHM COc1ccc(CN2C[C@H]3CC[C@@H]2C3)c([O-])c1I ZINC001248494057 1040299122 /nfs/dbraw/zinc/29/91/22/1040299122.db2.gz GJTNIYWQXGPWCY-GXSJLCMTSA-N -1 3 359.207 2.990 20 10 FFCDHM COc1ccc(CN(C)Cc2ccno2)c([O-])c1I ZINC001248498639 1040301986 /nfs/dbraw/zinc/30/19/86/1040301986.db2.gz ILXSUBXJOQFFFH-UHFFFAOYSA-N -1 3 374.178 2.625 20 10 FFCDHM CN(CC(=O)N1CCOCC1)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248881474 1040491400 /nfs/dbraw/zinc/49/14/00/1040491400.db2.gz WSFVTYNYBAJKRJ-UHFFFAOYSA-N -1 3 354.878 2.634 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001278566022 1041191629 /nfs/dbraw/zinc/19/16/29/1041191629.db2.gz YKOJELYFZRHODH-CALCHBBNSA-N -1 3 359.857 2.792 20 10 FFCDHM Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1O ZINC001279282508 1042982205 /nfs/dbraw/zinc/98/22/05/1042982205.db2.gz MUPHTRSNRVKPOL-IYBDPMFKSA-N -1 3 373.478 2.704 20 10 FFCDHM Cc1cc([O-])c(CN2CC[C@](O)(CF)[C@@H](F)C2)cc1Br ZINC001237677335 1043304748 /nfs/dbraw/zinc/30/47/48/1043304748.db2.gz LWQLXVQHGQSWHY-KBPBESRZSA-N -1 3 350.203 2.708 20 10 FFCDHM CC(C)(C)NC(=O)[C@@H]1CC12CN(Cc1c([O-])cccc1Br)C2 ZINC001280312934 1044588879 /nfs/dbraw/zinc/58/88/79/1044588879.db2.gz IZSZFRQHEZWJTN-LBPRGKRZSA-N -1 3 367.287 2.891 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCN3CCC[C@@H]3C2)c1[O-] ZINC001318459277 1045304973 /nfs/dbraw/zinc/30/49/73/1045304973.db2.gz NPIKHWDUGGFCRD-QGZVFWFLSA-N -1 3 366.461 2.999 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCCN3CCC[C@@H]3C2)c1[O-] ZINC001318459277 1045304980 /nfs/dbraw/zinc/30/49/80/1045304980.db2.gz NPIKHWDUGGFCRD-QGZVFWFLSA-N -1 3 366.461 2.999 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc2nccc(C(F)(F)F)n2n1 ZINC001303876165 1051464042 /nfs/dbraw/zinc/46/40/42/1051464042.db2.gz WTBJYCGSFYCNHI-UHFFFAOYSA-N -1 3 354.263 2.523 20 10 FFCDHM CCOc1ccccc1N1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001303879263 1051465715 /nfs/dbraw/zinc/46/57/15/1051465715.db2.gz VPHPUKAXKMSKTR-CYBMUJFWSA-N -1 3 372.396 2.599 20 10 FFCDHM [O-]c1c2cccnc2sc1-c1nnc(N2CCCC2)n1C[C@@H]1CCOC1 ZINC001343998678 1052537448 /nfs/dbraw/zinc/53/74/48/1052537448.db2.gz UCOZEGZOUKKIJW-LBPRGKRZSA-N -1 3 371.466 2.897 20 10 FFCDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001451954990 1059169125 /nfs/dbraw/zinc/16/91/25/1059169125.db2.gz NTQNCKODWZRJCH-UHFFFAOYSA-N -1 3 363.373 2.701 20 10 FFCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cccc(C(=O)N2CCCC2)n1 ZINC001459790138 1060818515 /nfs/dbraw/zinc/81/85/15/1060818515.db2.gz WVNZRSFWZNEOHD-UHFFFAOYSA-N -1 3 371.784 2.760 20 10 FFCDHM CCOc1ccnc(N2CCCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC001560670360 1076290269 /nfs/dbraw/zinc/29/02/69/1076290269.db2.gz BLOCNTOFOXHPQP-UHFFFAOYSA-N -1 3 364.396 2.571 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001565611538 1076746404 /nfs/dbraw/zinc/74/64/04/1076746404.db2.gz JDPLZXHWQLVMOH-MRXNPFEDSA-N -1 3 352.438 2.644 20 10 FFCDHM COC(=O)c1c(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001574082005 1077891914 /nfs/dbraw/zinc/89/19/14/1077891914.db2.gz SZCNEVXJANLKHE-RYUDHWBXSA-N -1 3 362.401 2.647 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267671 1080454966 /nfs/dbraw/zinc/45/49/66/1080454966.db2.gz HFTHJXUVJDDMGM-NLCHRSBVSA-N -1 3 367.829 2.843 20 10 FFCDHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589936956 1080881015 /nfs/dbraw/zinc/88/10/15/1080881015.db2.gz SLDHMHFJWLFFET-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589936956 1080881021 /nfs/dbraw/zinc/88/10/21/1080881021.db2.gz SLDHMHFJWLFFET-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955876 1080902313 /nfs/dbraw/zinc/90/23/13/1080902313.db2.gz NDYKXJQSJJUGDK-QLJPJBMISA-N -1 3 366.381 2.819 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955876 1080902319 /nfs/dbraw/zinc/90/23/19/1080902319.db2.gz NDYKXJQSJJUGDK-QLJPJBMISA-N -1 3 366.381 2.819 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1F ZINC000066841116 506660554 /nfs/dbraw/zinc/66/05/54/506660554.db2.gz NPCFWAKYBUAWAV-UHFFFAOYSA-N -1 3 374.460 2.621 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cn(C)nc1C ZINC000075416680 508106735 /nfs/dbraw/zinc/10/67/35/508106735.db2.gz YSODINCBOMWADN-UHFFFAOYSA-N -1 3 352.232 2.859 20 10 FFCDHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(Br)ccc1[O-])CC2 ZINC000093613081 508150145 /nfs/dbraw/zinc/15/01/45/508150145.db2.gz BDGMETXGKCYEMG-JKSUJKDBSA-N -1 3 370.287 2.907 20 10 FFCDHM CCCOc1ccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c([O-])c1 ZINC000121317545 509165831 /nfs/dbraw/zinc/16/58/31/509165831.db2.gz SGNUOOWWVDFDMH-CQSZACIVSA-N -1 3 360.458 2.751 20 10 FFCDHM C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCS1(=O)=O ZINC000183082987 509585610 /nfs/dbraw/zinc/58/56/10/509585610.db2.gz PYGNDOXPIPHHFI-OAHLLOKOSA-N -1 3 361.463 2.590 20 10 FFCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(Cl)c1[O-] ZINC000179882705 509659757 /nfs/dbraw/zinc/65/97/57/509659757.db2.gz HUJWNQZQTYJAGB-NSHDSACASA-N -1 3 354.859 2.886 20 10 FFCDHM O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cccc(O)c1[O-] ZINC000193160076 509801067 /nfs/dbraw/zinc/80/10/67/509801067.db2.gz OBSVFTXXVATLCF-UHFFFAOYSA-N -1 3 357.341 2.650 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000180332042 509873552 /nfs/dbraw/zinc/87/35/52/509873552.db2.gz RTRLODJJKIFCEY-ZDUSSCGKSA-N -1 3 366.464 2.803 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NOC[C@H]1CCOC1 ZINC000190442273 510132190 /nfs/dbraw/zinc/13/21/90/510132190.db2.gz PSJOVPLDQPBQMO-NSHDSACASA-N -1 3 373.247 2.654 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)c([O-])c1O ZINC000181829738 510616061 /nfs/dbraw/zinc/61/60/61/510616061.db2.gz OVFPCFBITVPRLI-OAHLLOKOSA-N -1 3 355.369 2.798 20 10 FFCDHM C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185110581 510691211 /nfs/dbraw/zinc/69/12/11/510691211.db2.gz MYQVXFJJOXIKQX-LBPRGKRZSA-N -1 3 352.431 2.632 20 10 FFCDHM C[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863356 510948558 /nfs/dbraw/zinc/94/85/58/510948558.db2.gz CXPAHJXESJQDLV-RMLUDKJBSA-N -1 3 365.302 2.505 20 10 FFCDHM C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863356 510948563 /nfs/dbraw/zinc/94/85/63/510948563.db2.gz CXPAHJXESJQDLV-RMLUDKJBSA-N -1 3 365.302 2.505 20 10 FFCDHM COc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(OC)c1[O-] ZINC000270702716 510956873 /nfs/dbraw/zinc/95/68/73/510956873.db2.gz CGBKNHMLXTULKS-UHFFFAOYSA-N -1 3 357.406 2.924 20 10 FFCDHM Cc1csc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000277498637 510964781 /nfs/dbraw/zinc/96/47/81/510964781.db2.gz TVGDKQRBELCNAT-UHFFFAOYSA-N -1 3 351.815 2.775 20 10 FFCDHM Cc1nnc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277593173 510967491 /nfs/dbraw/zinc/96/74/91/510967491.db2.gz GWEURKMJQUBDER-QMMMGPOBSA-N -1 3 366.830 2.731 20 10 FFCDHM COc1c([O-])c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000278289233 510988102 /nfs/dbraw/zinc/98/81/02/510988102.db2.gz UUNJKKBEXNNQMY-UHFFFAOYSA-N -1 3 371.393 2.573 20 10 FFCDHM COc1c([O-])c(CN[C@H](c2cnn(C)c2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365122413 511269715 /nfs/dbraw/zinc/26/97/15/511269715.db2.gz RHJJLUOXNNVCGN-KRWDZBQOSA-N -1 3 368.393 2.922 20 10 FFCDHM COc1c([O-])c(CNc2cccc(-c3ncn(C)n3)c2)ccc1[N+](=O)[O-] ZINC000365125245 511272735 /nfs/dbraw/zinc/27/27/35/511272735.db2.gz ZJDGIOPCNKFADW-UHFFFAOYSA-N -1 3 355.354 2.717 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1O ZINC000272728887 511505654 /nfs/dbraw/zinc/50/56/54/511505654.db2.gz JQJMFLCBMLISGW-GFCCVEGCSA-N -1 3 350.415 2.536 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)c([O-])c1O ZINC000272777655 511506646 /nfs/dbraw/zinc/50/66/46/511506646.db2.gz UHHPBVWVBLJHTF-NSHDSACASA-N -1 3 374.466 2.641 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CCO)c2ccc(OC)cc2)c1 ZINC000273353008 511523577 /nfs/dbraw/zinc/52/35/77/511523577.db2.gz CCNWSWFOKDTEON-FZKQIMNGSA-N -1 3 359.422 2.962 20 10 FFCDHM CCNC(=O)c1cccc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273402569 511524832 /nfs/dbraw/zinc/52/48/32/511524832.db2.gz NMXDXLIKEGESIG-CYBMUJFWSA-N -1 3 356.422 2.779 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273551294 511530531 /nfs/dbraw/zinc/53/05/31/511530531.db2.gz GBNQVCKTOAETAS-ZDUSSCGKSA-N -1 3 368.433 2.922 20 10 FFCDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2cccs2)c1[O-] ZINC000359956284 512057725 /nfs/dbraw/zinc/05/77/25/512057725.db2.gz DJUABRZWEUMMLX-CQSZACIVSA-N -1 3 352.843 2.789 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCC(Oc2cnccn2)CC1 ZINC000369671833 512547017 /nfs/dbraw/zinc/54/70/17/512547017.db2.gz VWLGIUXCELONRE-UHFFFAOYSA-N -1 3 364.243 2.988 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529682525 517282237 /nfs/dbraw/zinc/28/22/37/517282237.db2.gz VSRFEDCGPJFJOD-MTJIALIYSA-N -1 3 358.301 2.949 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000530207283 517630310 /nfs/dbraw/zinc/63/03/10/517630310.db2.gz FNXWABUQNOSQCF-DJQAVVSRSA-N -1 3 352.818 2.622 20 10 FFCDHM C[C@@H]1C[C@@H](NC(c2nccn2C)c2nccn2C)c2c1c(F)ccc2[O-] ZINC000527947531 518005994 /nfs/dbraw/zinc/00/59/94/518005994.db2.gz QKJQPZOSEXOYGM-DGCLKSJQSA-N -1 3 355.417 2.926 20 10 FFCDHM C[C@@H]1C[C@H](NC(c2nccn2C)c2nccn2C)c2c1c(F)ccc2[O-] ZINC000527947543 518006536 /nfs/dbraw/zinc/00/65/36/518006536.db2.gz QKJQPZOSEXOYGM-YPMHNXCESA-N -1 3 355.417 2.926 20 10 FFCDHM Cc1cc(C(=O)N2CC[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234955 598612082 /nfs/dbraw/zinc/61/20/82/598612082.db2.gz QCMPFEWVRBSLSW-LBPRGKRZSA-N -1 3 350.426 2.756 20 10 FFCDHM COc1cccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1O ZINC000833735284 604621499 /nfs/dbraw/zinc/62/14/99/604621499.db2.gz IYCSHZNDLHHVRE-CQSZACIVSA-N -1 3 356.422 2.810 20 10 FFCDHM [O-]c1c(Cl)cccc1CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510880 608590113 /nfs/dbraw/zinc/59/01/13/608590113.db2.gz PGAFFEJGBJZBFR-MRXNPFEDSA-N -1 3 371.828 2.799 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCCC2CCCC2)c1 ZINC000743767930 735318847 /nfs/dbraw/zinc/31/88/47/735318847.db2.gz BNNCRCVYZUPAFY-UHFFFAOYSA-N -1 3 354.472 2.854 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000063849066 728138880 /nfs/dbraw/zinc/13/88/80/728138880.db2.gz ALAZBBWJIALAIO-UHFFFAOYSA-N -1 3 368.480 2.948 20 10 FFCDHM CC(C)(C)C(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000128277845 728708448 /nfs/dbraw/zinc/70/84/48/728708448.db2.gz HWJSXPHCXXDXOU-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000170903080 728991576 /nfs/dbraw/zinc/99/15/76/728991576.db2.gz JPGDSMWYKJPGEU-QWHCGFSZSA-N -1 3 354.472 2.708 20 10 FFCDHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000170903072 728991627 /nfs/dbraw/zinc/99/16/27/728991627.db2.gz JPGDSMWYKJPGEU-OLZOCXBDSA-N -1 3 354.472 2.708 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2ccccn2)CC1 ZINC000862216417 730677022 /nfs/dbraw/zinc/67/70/22/730677022.db2.gz IYPNRTJIWVUKKI-UHFFFAOYSA-N -1 3 362.271 2.868 20 10 FFCDHM CC(C)c1nnc2n1CCN(Cc1c([O-])cccc1Br)C2 ZINC000862239567 730679910 /nfs/dbraw/zinc/67/99/10/730679910.db2.gz DCYZKBVWGMHLNF-UHFFFAOYSA-N -1 3 351.248 2.885 20 10 FFCDHM C[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863024329 730743390 /nfs/dbraw/zinc/74/33/90/730743390.db2.gz NGXCTCARLHFLBV-RYUDHWBXSA-N -1 3 350.415 2.616 20 10 FFCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1c1ccco1 ZINC000869789230 731439974 /nfs/dbraw/zinc/43/99/74/731439974.db2.gz UULRLDFSXJGRRX-HNNXBMFYSA-N -1 3 364.423 2.580 20 10 FFCDHM COC(=O)CCCc1csc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000780971781 738591497 /nfs/dbraw/zinc/59/14/97/738591497.db2.gz XBJUSHMZTBKHCP-UHFFFAOYSA-N -1 3 350.396 2.611 20 10 FFCDHM O=C1N[C@@H](c2cc(Br)ccc2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877866069 732446350 /nfs/dbraw/zinc/44/63/50/732446350.db2.gz DHDFHOGBNMVKAN-GOEBONIOSA-N -1 3 359.223 2.710 20 10 FFCDHM O=C1[C@H](NCc2cc(F)cc(F)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000883102042 733333433 /nfs/dbraw/zinc/33/34/33/733333433.db2.gz DKOQLXGADNYFNH-MRXNPFEDSA-N -1 3 350.340 2.700 20 10 FFCDHM CCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])c(C)n1 ZINC000891992772 734504499 /nfs/dbraw/zinc/50/44/99/734504499.db2.gz PKXNAMYYAOZABF-UHFFFAOYSA-N -1 3 351.834 2.746 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(Cn2ccnn2)CC1 ZINC000894095720 734800674 /nfs/dbraw/zinc/80/06/74/734800674.db2.gz RITZPUZGKOALFU-UHFFFAOYSA-N -1 3 369.238 2.798 20 10 FFCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(N2CCOCC2)c1 ZINC000790951197 739518183 /nfs/dbraw/zinc/51/81/83/739518183.db2.gz WUTBCWOJHHGYOL-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756776837 736361070 /nfs/dbraw/zinc/36/10/70/736361070.db2.gz SCLXGMRVZJAVSZ-SDBXPKJASA-N -1 3 374.666 2.926 20 10 FFCDHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000761984300 736779758 /nfs/dbraw/zinc/77/97/58/736779758.db2.gz YEZRTLOPMONFON-CQSZACIVSA-N -1 3 352.862 2.741 20 10 FFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(Br)ccc1[O-] ZINC000768231260 737407656 /nfs/dbraw/zinc/40/76/56/737407656.db2.gz VNUUOMPOFWNAEA-LBPRGKRZSA-N -1 3 360.273 2.635 20 10 FFCDHM CCc1ocnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771061000 737691006 /nfs/dbraw/zinc/69/10/06/737691006.db2.gz ZZCCLMDEPGUENL-AWEZNQCLSA-N -1 3 363.845 2.990 20 10 FFCDHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(Br)c1[O-] ZINC000776015148 738152173 /nfs/dbraw/zinc/15/21/73/738152173.db2.gz UNSXTMKEMNQYIZ-QWHCGFSZSA-N -1 3 372.259 2.697 20 10 FFCDHM CC(C)COC(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928711209 738898532 /nfs/dbraw/zinc/89/85/32/738898532.db2.gz IABBNGSCMHKXSK-UHFFFAOYSA-N -1 3 352.406 2.652 20 10 FFCDHM COc1ccc(Br)c(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790545007 739468332 /nfs/dbraw/zinc/46/83/32/739468332.db2.gz BJPAEFQAFUHXBL-UHFFFAOYSA-N -1 3 352.184 2.799 20 10 FFCDHM CN1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2Cl)CC1 ZINC000790613308 739474747 /nfs/dbraw/zinc/47/47/47/739474747.db2.gz HOHGDPVELCAYKJ-UHFFFAOYSA-N -1 3 361.829 2.755 20 10 FFCDHM CC[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363214 739773794 /nfs/dbraw/zinc/77/37/94/739773794.db2.gz RGKXKXDXHKVBDL-BBRMVZONSA-N -1 3 356.260 2.925 20 10 FFCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796165934 740110732 /nfs/dbraw/zinc/11/07/32/740110732.db2.gz WGHNZWIBWWWKED-HNNXBMFYSA-N -1 3 352.406 2.835 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCOc2ccc(Br)cc2C1 ZINC000802256043 740690476 /nfs/dbraw/zinc/69/04/76/740690476.db2.gz FOGLAEHEDNVJBX-UHFFFAOYSA-N -1 3 364.195 2.895 20 10 FFCDHM O=S(=O)([N-]CCCSc1nccs1)c1cnc(Cl)c(F)c1 ZINC000805002348 740924391 /nfs/dbraw/zinc/92/43/91/740924391.db2.gz XPTFWTZMZWHOCF-UHFFFAOYSA-N -1 3 367.880 2.791 20 10 FFCDHM CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000805828467 741015703 /nfs/dbraw/zinc/01/57/03/741015703.db2.gz IMGODNVNTPYALX-CQSZACIVSA-N -1 3 354.834 2.959 20 10 FFCDHM COC(=O)C[C@@H]1CSCCN1Cc1ccc(Br)cc1[O-] ZINC000824855097 743165373 /nfs/dbraw/zinc/16/53/73/743165373.db2.gz GKPMWSYGMCEWIS-GFCCVEGCSA-N -1 3 360.273 2.635 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124494 743214184 /nfs/dbraw/zinc/21/41/84/743214184.db2.gz RDYJJYMUZHYENU-BXKDBHETSA-N -1 3 354.166 2.900 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544861 743598440 /nfs/dbraw/zinc/59/84/40/743598440.db2.gz MOKMYPHRKJCKCA-ZDUSSCGKSA-N -1 3 370.291 2.651 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1c([O-])cccc1F)C(F)F ZINC000830180126 745318812 /nfs/dbraw/zinc/31/88/12/745318812.db2.gz IDIRWSCKYXBVMU-NSHDSACASA-N -1 3 362.348 2.696 20 10 FFCDHM COCCN1CCN(Cc2cccc(Br)c2[O-])C(C)(C)C1 ZINC000846101295 748407540 /nfs/dbraw/zinc/40/75/40/748407540.db2.gz ABEJHHCXOFRPCX-UHFFFAOYSA-N -1 3 357.292 2.697 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000055639171 845334726 /nfs/dbraw/zinc/33/47/26/845334726.db2.gz OUOPGISSXBYBCG-UHFFFAOYSA-N -1 3 374.871 2.902 20 10 FFCDHM O=C(N1CC=CC1)[C@]12C[C@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001279983502 964140634 /nfs/dbraw/zinc/14/06/34/964140634.db2.gz WTPUJJRJOWLVIN-DYVFJYSZSA-N -1 3 363.255 2.518 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000898740321 976658609 /nfs/dbraw/zinc/65/86/09/976658609.db2.gz QYHCUQWQXBJGKS-AWEZNQCLSA-N -1 3 372.856 2.989 20 10 FFCDHM CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000877921517 1014767175 /nfs/dbraw/zinc/76/71/75/1014767175.db2.gz JUWZOQCDIVNYDW-UHFFFAOYSA-N -1 3 368.481 2.877 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc(-c3cccnc3)no2)c1[O-] ZINC000154375354 990203688 /nfs/dbraw/zinc/20/36/88/990203688.db2.gz WQLSHIXLNMWGPJ-UHFFFAOYSA-N -1 3 356.357 2.811 20 10 FFCDHM CN(C)C(=O)N1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000917433299 990218920 /nfs/dbraw/zinc/21/89/20/990218920.db2.gz WXPWOITXMASPJC-UHFFFAOYSA-N -1 3 357.454 2.816 20 10 FFCDHM CCN(CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809714022 994590939 /nfs/dbraw/zinc/59/09/39/994590939.db2.gz VIFNNZDMRMJKHR-UHFFFAOYSA-N -1 3 365.430 2.534 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3cc(Br)c(F)cc3[O-])CC[C@@H]21 ZINC001144308017 998304737 /nfs/dbraw/zinc/30/47/37/998304737.db2.gz GXPLWRJNWRGWBL-YGRLFVJLSA-N -1 3 371.250 2.737 20 10 FFCDHM Cc1nc(C)c(CC(=O)N(Cc2ccco2)Cc2ccccc2O)c(=O)[n-]1 ZINC000743429081 999817778 /nfs/dbraw/zinc/81/77/78/999817778.db2.gz ZMTXYANJJUFAMN-UHFFFAOYSA-N -1 3 367.405 2.869 20 10 FFCDHM Cc1ccc([C@H]2CCCN2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846234688 1000240078 /nfs/dbraw/zinc/24/00/78/1000240078.db2.gz VWZAOEZMUIKMFK-MRXNPFEDSA-N -1 3 352.394 2.779 20 10 FFCDHM CCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@H](C)c1cccc(OC)c1 ZINC000846241221 1000241927 /nfs/dbraw/zinc/24/19/27/1000241927.db2.gz JYNJIKYLAHCFQB-GFCCVEGCSA-N -1 3 370.409 2.725 20 10 FFCDHM CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)c1cccc(O)c1[O-] ZINC001148211943 1001067973 /nfs/dbraw/zinc/06/79/73/1001067973.db2.gz DOFXGLBBOIONMS-UHFFFAOYSA-N -1 3 372.164 2.624 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001148213453 1001068106 /nfs/dbraw/zinc/06/81/06/1001068106.db2.gz BHOCMCZXXLAJFR-UHFFFAOYSA-N -1 3 366.377 2.563 20 10 FFCDHM Cn1c(CNC(=O)c2cccc(O)c2[O-])nc2cc(C(F)(F)F)ccc21 ZINC001148219965 1001072238 /nfs/dbraw/zinc/07/22/38/1001072238.db2.gz INAOSBRYMNHBLI-UHFFFAOYSA-N -1 3 365.311 2.933 20 10 FFCDHM COc1c([O-])c(CNc2ccc(C)c(N3CCNC3=O)c2)ccc1[N+](=O)[O-] ZINC000787313161 1001684308 /nfs/dbraw/zinc/68/43/08/1001684308.db2.gz VITFHCZLURTNRC-UHFFFAOYSA-N -1 3 372.381 2.759 20 10 FFCDHM O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790895896 1002509867 /nfs/dbraw/zinc/50/98/67/1002509867.db2.gz WVXRBDDTAHSESO-NSHDSACASA-N -1 3 369.339 2.698 20 10 FFCDHM COc1c([O-])c(CN2CCN(Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000774820234 1002807735 /nfs/dbraw/zinc/80/77/35/1002807735.db2.gz XKIDRRJWZZIULC-UHFFFAOYSA-N -1 3 371.437 2.935 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC000774976356 1003192743 /nfs/dbraw/zinc/19/27/43/1003192743.db2.gz LZJWVNXAVFVZAC-SECBINFHSA-N -1 3 359.338 2.641 20 10 FFCDHM COC(=O)CCOc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001199324513 1004910958 /nfs/dbraw/zinc/91/09/58/1004910958.db2.gz QYHVMMYCBYYZRM-UHFFFAOYSA-N -1 3 362.357 2.795 20 10 FFCDHM Cc1ccc(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn32)c([O-])c1O ZINC000813478031 1005960753 /nfs/dbraw/zinc/96/07/53/1005960753.db2.gz BPUIVZPASFRIPJ-UHFFFAOYSA-N -1 3 363.377 2.707 20 10 FFCDHM CCOC(=O)c1cc(COC)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000817012638 1007351687 /nfs/dbraw/zinc/35/16/87/1007351687.db2.gz CZBYRHZYMNLSOY-UHFFFAOYSA-N -1 3 359.378 2.982 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCCC3)C2)c1 ZINC000855635782 1007474942 /nfs/dbraw/zinc/47/49/42/1007474942.db2.gz DMCAIQRUVPONLI-AWEZNQCLSA-N -1 3 366.483 2.806 20 10 FFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000884806277 1007554155 /nfs/dbraw/zinc/55/41/55/1007554155.db2.gz ATAKBBVZOLAKDL-STQMWFEESA-N -1 3 364.442 2.721 20 10 FFCDHM Cc1nc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)ccc1F ZINC001217056224 1032599182 /nfs/dbraw/zinc/59/91/82/1032599182.db2.gz HMPYHLKLECXUDD-UHFFFAOYSA-N -1 3 370.384 2.784 20 10 FFCDHM O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)[N-]OCc1ccccc1 ZINC000123506241 1012749262 /nfs/dbraw/zinc/74/92/62/1012749262.db2.gz BNTDXWDGPBQVFE-IBGZPJMESA-N -1 3 370.449 2.621 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H](c1ccccc1)N1CCCCC1=O ZINC000928712307 1019085921 /nfs/dbraw/zinc/08/59/21/1019085921.db2.gz QRFGZQXHPYCZBV-IBGZPJMESA-N -1 3 356.397 2.901 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@]2(C1)CCCOC2 ZINC001121460532 1023790096 /nfs/dbraw/zinc/79/00/96/1023790096.db2.gz LUBZPVXVMWCTRX-SFHVURJKSA-N -1 3 371.466 2.804 20 10 FFCDHM C[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@H](C2CC2)O1 ZINC001121460959 1023791062 /nfs/dbraw/zinc/79/10/62/1023791062.db2.gz RHQXKAVLZGKINP-ZWNOBZJWSA-N -1 3 371.466 2.801 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3C[NH2+]CC[C@H]3C)c1C2=O ZINC001218481833 1033174447 /nfs/dbraw/zinc/17/44/47/1033174447.db2.gz XBQSSGCSVSPSEX-DIFFPNOSSA-N -1 3 367.401 2.558 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001122036897 1024279923 /nfs/dbraw/zinc/27/99/23/1024279923.db2.gz VZGGAGYZCHJHKG-ZMZPIMSZSA-N -1 3 371.466 2.753 20 10 FFCDHM O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001141284423 1025759956 /nfs/dbraw/zinc/75/99/56/1025759956.db2.gz ZEBVOIKIIIFTGN-ZDUSSCGKSA-N -1 3 355.312 2.970 20 10 FFCDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839786600 1026827756 /nfs/dbraw/zinc/82/77/56/1026827756.db2.gz WEBDSAYZOOYEQX-CQSZACIVSA-N -1 3 358.413 2.831 20 10 FFCDHM CCNC(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157726871 1029652376 /nfs/dbraw/zinc/65/23/76/1029652376.db2.gz CJLKOMIIIRJMRH-UHFFFAOYSA-N -1 3 357.801 2.746 20 10 FFCDHM COC[C@@H]1Cn2ccnc2CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203639902 1030800300 /nfs/dbraw/zinc/80/03/00/1030800300.db2.gz MCKFGFATDFRPDM-LBPRGKRZSA-N -1 3 366.259 2.630 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2nccn2n1 ZINC001151725844 1032016054 /nfs/dbraw/zinc/01/60/54/1032016054.db2.gz KWEWKIJSQFVTDG-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM CCOC(=O)[C@H](CC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380290 1034659744 /nfs/dbraw/zinc/65/97/44/1034659744.db2.gz QTAWCVNVJHKUBN-AWEZNQCLSA-N -1 3 354.358 2.888 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2cnn(C)c21 ZINC001232260334 1035531046 /nfs/dbraw/zinc/53/10/46/1035531046.db2.gz VSHUNWSCPMEDQT-CYBMUJFWSA-N -1 3 351.834 2.621 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@H](NC(=O)NC(C)C)C2)cc1Cl ZINC001232270600 1035539868 /nfs/dbraw/zinc/53/98/68/1035539868.db2.gz HGUYPIWOJCDZHJ-ZDUSSCGKSA-N -1 3 355.866 2.726 20 10 FFCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@H]4C[C@@H](C3)O4)c2)nc1C ZINC001232453912 1035696487 /nfs/dbraw/zinc/69/64/87/1035696487.db2.gz ORGBOCVDWXQBBJ-GASCZTMLSA-N -1 3 374.462 2.974 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](O)[C@H](C)C2)c1 ZINC001233306464 1036512960 /nfs/dbraw/zinc/51/29/60/1036512960.db2.gz REFDYFHXZXSKPJ-QMTHXVAHSA-N -1 3 372.259 2.534 20 10 FFCDHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3c([O-])ccc(F)c3F)O2)n1 ZINC001233334045 1036542390 /nfs/dbraw/zinc/54/23/90/1036542390.db2.gz RSRHKVVQRBGWBJ-YUELXQCFSA-N -1 3 351.353 2.856 20 10 FFCDHM O=C(c1ccncc1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454714 1036634363 /nfs/dbraw/zinc/63/43/63/1036634363.db2.gz HMSIINQADZEPGH-UHFFFAOYSA-N -1 3 365.355 2.764 20 10 FFCDHM Cc1cc(O[C@@H]2CCCN(C)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543343 1036732556 /nfs/dbraw/zinc/73/25/56/1036732556.db2.gz ZEGZMNKJQZYMRE-CYBMUJFWSA-N -1 3 351.402 2.949 20 10 FFCDHM COc1c(OC[C@@H]2CCO2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127356 1036932588 /nfs/dbraw/zinc/93/25/88/1036932588.db2.gz QTYBZNIEPSQLSI-NSHDSACASA-N -1 3 354.358 2.652 20 10 FFCDHM C[C@@H]1COCC[C@@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234753446 1037169423 /nfs/dbraw/zinc/16/94/23/1037169423.db2.gz OIZZJDNEOYHZOE-OTYXRUKQSA-N -1 3 358.346 2.867 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCCC[C@](O)(CF)C1 ZINC001235057049 1037329976 /nfs/dbraw/zinc/32/99/76/1037329976.db2.gz LJASIOGYMSKJFW-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001235065009 1037335935 /nfs/dbraw/zinc/33/59/35/1037335935.db2.gz LWSZHZXMLWSFBO-AWEZNQCLSA-N -1 3 373.266 2.590 20 10 FFCDHM C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452925 1037595725 /nfs/dbraw/zinc/59/57/25/1037595725.db2.gz XHFIOESFIWDKEX-UHFFFAOYSA-N -1 3 356.422 2.559 20 10 FFCDHM C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452925 1037595735 /nfs/dbraw/zinc/59/57/35/1037595735.db2.gz XHFIOESFIWDKEX-UHFFFAOYSA-N -1 3 356.422 2.559 20 10 FFCDHM C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455694 1037596641 /nfs/dbraw/zinc/59/66/41/1037596641.db2.gz UCFGMAYHQQITBX-SWLSCSKDSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455694 1037596654 /nfs/dbraw/zinc/59/66/54/1037596654.db2.gz UCFGMAYHQQITBX-SWLSCSKDSA-N -1 3 364.442 2.968 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC001231566205 1037690095 /nfs/dbraw/zinc/69/00/95/1037690095.db2.gz UROGNZDUXLMZEJ-UHFFFAOYSA-N -1 3 363.417 2.961 20 10 FFCDHM CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566522 1037691194 /nfs/dbraw/zinc/69/11/94/1037691194.db2.gz NRTMGEYDXJIXRS-INIZCTEOSA-N -1 3 367.442 2.661 20 10 FFCDHM CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566522 1037691199 /nfs/dbraw/zinc/69/11/99/1037691199.db2.gz NRTMGEYDXJIXRS-INIZCTEOSA-N -1 3 367.442 2.661 20 10 FFCDHM CCNC(=O)COC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236805225 1038280302 /nfs/dbraw/zinc/28/03/02/1038280302.db2.gz XSTKRFRKDNWMLG-UHFFFAOYSA-N -1 3 361.269 2.816 20 10 FFCDHM COc1ccc(CN2CCC(NC(=O)N3CCCC3)CC2)c([O-])c1Cl ZINC001236808733 1038281445 /nfs/dbraw/zinc/28/14/45/1038281445.db2.gz INZMFICTKJWYBG-UHFFFAOYSA-N -1 3 367.877 2.824 20 10 FFCDHM CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001276605448 1038619160 /nfs/dbraw/zinc/61/91/60/1038619160.db2.gz IWRJRVGZPSFUPT-BBRMVZONSA-N -1 3 360.454 2.607 20 10 FFCDHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2c(F)ccc(F)c2[O-])n(C)n1 ZINC001278688462 1039841859 /nfs/dbraw/zinc/84/18/59/1039841859.db2.gz YBNLTVIXHUYTFF-ROUUACIJSA-N -1 3 362.424 2.561 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001262927132 1041967606 /nfs/dbraw/zinc/96/76/06/1041967606.db2.gz YSZBPNONRVCNBF-DGCLKSJQSA-N -1 3 371.466 2.803 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOCC2(CC2)C1 ZINC001263115443 1042112105 /nfs/dbraw/zinc/11/21/05/1042112105.db2.gz SJAMYDXZSJUFFP-UHFFFAOYSA-N -1 3 371.466 2.897 20 10 FFCDHM Cc1noc(C)c1NC(=O)N1CCC12CN(Cc1cc(F)ccc1[O-])C2 ZINC001279197228 1042941599 /nfs/dbraw/zinc/94/15/99/1042941599.db2.gz NSBWNOFIJHMBLN-UHFFFAOYSA-N -1 3 360.389 2.628 20 10 FFCDHM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cccc(Cl)c2[O-])[nH]1 ZINC001279442679 1043118378 /nfs/dbraw/zinc/11/83/78/1043118378.db2.gz SFRNZQRLFFIZGC-IYBDPMFKSA-N -1 3 359.857 2.995 20 10 FFCDHM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001279490123 1043175333 /nfs/dbraw/zinc/17/53/33/1043175333.db2.gz OXCBYXRKQWHSFM-OKILXGFUSA-N -1 3 362.424 2.736 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3cccnn3)CC2)cc1Br ZINC001237679662 1043306737 /nfs/dbraw/zinc/30/67/37/1043306737.db2.gz UBXLWUZLKFNBBO-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCCC2(COC2)C1 ZINC001237775085 1043350906 /nfs/dbraw/zinc/35/09/06/1043350906.db2.gz CGRVWYJYTXWQED-UHFFFAOYSA-N -1 3 359.207 2.609 20 10 FFCDHM CCCNC(=O)COC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237944534 1043448938 /nfs/dbraw/zinc/44/89/38/1043448938.db2.gz URRWOXLAGINQCC-UHFFFAOYSA-N -1 3 358.841 2.692 20 10 FFCDHM COc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1F ZINC000756367741 1043598123 /nfs/dbraw/zinc/59/81/23/1043598123.db2.gz WCUXQTDQHPXAFS-IBGZPJMESA-N -1 3 374.412 2.586 20 10 FFCDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2cc(O)c(O)cc2s1 ZINC001290405847 1048094053 /nfs/dbraw/zinc/09/40/53/1048094053.db2.gz YRDFWXAUYWVQMH-UHFFFAOYSA-N -1 3 353.363 2.745 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CC1(C)COC1 ZINC001341733496 1050351503 /nfs/dbraw/zinc/35/15/03/1050351503.db2.gz SQIHFOOIETUTPS-UHFFFAOYSA-N -1 3 359.455 2.753 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@@H]2c2cccc(C)c2)c1[O-] ZINC000848951501 1055425340 /nfs/dbraw/zinc/42/53/40/1055425340.db2.gz XDMJELNXGJZTCV-SFHVURJKSA-N -1 3 356.397 2.715 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(CCCO)CC1 ZINC001351384807 1056237388 /nfs/dbraw/zinc/23/73/88/1056237388.db2.gz WDDHDWYRNSXTBB-UHFFFAOYSA-N -1 3 373.482 2.786 20 10 FFCDHM CC(C)(C)OC(=O)NC1(C(=O)NCc2c([O-])cccc2F)CCCC1 ZINC001456030876 1059990066 /nfs/dbraw/zinc/99/00/66/1059990066.db2.gz SFGUHKYBKQCYBZ-UHFFFAOYSA-N -1 3 352.406 2.985 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001456086595 1060010294 /nfs/dbraw/zinc/01/02/94/1060010294.db2.gz FRUZCMXONKULOY-UHFFFAOYSA-N -1 3 356.313 2.555 20 10 FFCDHM Cc1sc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nc1C(=O)[O-] ZINC001355416702 1060224383 /nfs/dbraw/zinc/22/43/83/1060224383.db2.gz LMTPHNPOSQIPNY-ZDUSSCGKSA-N -1 3 374.510 2.752 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417496 1061313350 /nfs/dbraw/zinc/31/33/50/1061313350.db2.gz KMZFRKTVFZNPHX-CQSZACIVSA-N -1 3 367.218 2.918 20 10 FFCDHM COc1cc(NC(=O)NCc2c([O-])cccc2F)cc(OC)c1OC ZINC001475946421 1061316279 /nfs/dbraw/zinc/31/62/79/1061316279.db2.gz VFSRREGSALQTDY-UHFFFAOYSA-N -1 3 350.346 2.879 20 10 FFCDHM Cc1nc2ccc(S(=O)(=O)NCc3c([O-])cccc3F)cc2s1 ZINC001464598414 1062706009 /nfs/dbraw/zinc/70/60/09/1062706009.db2.gz QVXLKBCIBWACEZ-UHFFFAOYSA-N -1 3 352.412 2.928 20 10 FFCDHM C[C@@H]1CN(C(C)(C)CNC(=O)NCc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC001467898378 1063879121 /nfs/dbraw/zinc/87/91/21/1063879121.db2.gz NNIUWOYLMUXACK-CHWSQXEVSA-N -1 3 369.893 2.733 20 10 FFCDHM COc1cccc2c1nc(NCc1ccc([N+](=O)[O-])c(OC)c1[O-])n2C ZINC001474764027 1065599971 /nfs/dbraw/zinc/59/99/71/1065599971.db2.gz OSJWVZCSKUHFCP-UHFFFAOYSA-N -1 3 358.354 2.816 20 10 FFCDHM COc1cc(C(=O)NCc2ccc3cccnc3c2O)cc(OC)c1[O-] ZINC001557123447 1075811272 /nfs/dbraw/zinc/81/12/72/1075811272.db2.gz OTTJWRLECDFSBW-UHFFFAOYSA-N -1 3 354.362 2.593 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC001560698874 1076292662 /nfs/dbraw/zinc/29/26/62/1076292662.db2.gz BVTUNADOOFNYBB-UHFFFAOYSA-N -1 3 368.346 2.757 20 10 FFCDHM CN(C)Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC001568604983 1077102841 /nfs/dbraw/zinc/10/28/41/1077102841.db2.gz LQUBKSHERDGVOA-UHFFFAOYSA-N -1 3 364.243 2.541 20 10 FFCDHM C[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589945357 1080889588 /nfs/dbraw/zinc/88/95/88/1080889588.db2.gz SUWKXRCZAZQSLK-NSHDSACASA-N -1 3 354.389 2.563 20 10 FFCDHM C[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589945357 1080889595 /nfs/dbraw/zinc/88/95/95/1080889595.db2.gz SUWKXRCZAZQSLK-NSHDSACASA-N -1 3 354.389 2.563 20 10 FFCDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000023398000 507350730 /nfs/dbraw/zinc/35/07/30/507350730.db2.gz ZPWYQSNERSWCDM-UHFFFAOYSA-N -1 3 368.480 2.784 20 10 FFCDHM COc1ccc(N2CCCN([C@@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1 ZINC000052467004 507810279 /nfs/dbraw/zinc/81/02/79/507810279.db2.gz WSHNPMJWPVHEBX-HNNXBMFYSA-N -1 3 358.442 2.531 20 10 FFCDHM C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094153455 508171339 /nfs/dbraw/zinc/17/13/39/508171339.db2.gz VJMBCNDXABPYOD-HUBLWGQQSA-N -1 3 352.456 2.557 20 10 FFCDHM CCCOc1ccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c([O-])c1 ZINC000122623133 508563681 /nfs/dbraw/zinc/56/36/81/508563681.db2.gz DZVNCVMTEKSESB-LJQANCHMSA-N -1 3 359.470 2.895 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC(=O)c2ccco2)c1[O-] ZINC000121130284 509134422 /nfs/dbraw/zinc/13/44/22/509134422.db2.gz YZRUZJKTXCBEKM-HNNXBMFYSA-N -1 3 361.369 2.801 20 10 FFCDHM Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c([O-])c1O ZINC000179507935 509485450 /nfs/dbraw/zinc/48/54/50/509485450.db2.gz UNQKEVAGFZJOAS-UHFFFAOYSA-N -1 3 370.449 2.545 20 10 FFCDHM CCN(C1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1)S(C)(=O)=O ZINC000180186413 509799837 /nfs/dbraw/zinc/79/98/37/509799837.db2.gz GPQMYTUVFGPBJW-UHFFFAOYSA-N -1 3 360.907 2.600 20 10 FFCDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000269167617 510268504 /nfs/dbraw/zinc/26/85/04/510268504.db2.gz QMVCAPQCPCXTLS-UHFFFAOYSA-N -1 3 366.215 2.621 20 10 FFCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1[O-] ZINC000184678206 510455953 /nfs/dbraw/zinc/45/59/53/510455953.db2.gz NJQGKYZZNBLOJM-OAHLLOKOSA-N -1 3 364.829 2.928 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H](C)COC ZINC000175098823 510482096 /nfs/dbraw/zinc/48/20/96/510482096.db2.gz UMRHTJWYOFMQOZ-LLVKDONJSA-N -1 3 359.264 2.969 20 10 FFCDHM [O-]c1c(Cl)cccc1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000184950302 510599418 /nfs/dbraw/zinc/59/94/18/510599418.db2.gz GYUDBJIXGYSBIR-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM O=C1[C@@H](N(Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1CC(F)(F)F ZINC000247704758 510868924 /nfs/dbraw/zinc/86/89/24/510868924.db2.gz RUNUBPYZAVVBQB-CABCVRRESA-N -1 3 372.387 2.536 20 10 FFCDHM COC[C@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277324640 510960614 /nfs/dbraw/zinc/96/06/14/510960614.db2.gz MJLAHZLYCPHQRP-CYBMUJFWSA-N -1 3 364.785 2.791 20 10 FFCDHM CCNC(=O)COc1cccc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294223203 510995821 /nfs/dbraw/zinc/99/58/21/510995821.db2.gz LYQYGTJEDYESOQ-UHFFFAOYSA-N -1 3 366.820 2.989 20 10 FFCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1OC ZINC000278833776 511008511 /nfs/dbraw/zinc/00/85/11/511008511.db2.gz JCEOPQOWUIZNOF-UHFFFAOYSA-N -1 3 364.354 2.947 20 10 FFCDHM CC[C@@H](N[C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726582 511056690 /nfs/dbraw/zinc/05/66/90/511056690.db2.gz OXTAIHLPHVEURG-CABCVRRESA-N -1 3 362.861 2.934 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1[nH]cnc1C ZINC000279388337 511065505 /nfs/dbraw/zinc/06/55/05/511065505.db2.gz INNSSQRGXWHGLJ-UHFFFAOYSA-N -1 3 352.232 2.777 20 10 FFCDHM CS(=O)(=O)[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000282754347 511098129 /nfs/dbraw/zinc/09/81/29/511098129.db2.gz OKBSADYIPUSZGN-SFHVURJKSA-N -1 3 361.463 2.590 20 10 FFCDHM CCOc1ccc(NCc2cccc(F)c2[O-])cc1S(=O)(=O)N(C)C ZINC000289670189 511109086 /nfs/dbraw/zinc/10/90/86/511109086.db2.gz ZAHJBZYSHUCLFR-UHFFFAOYSA-N -1 3 368.430 2.792 20 10 FFCDHM [O-]c1c(F)cccc1CN(CCCN1CCOCC1)Cc1ccncc1 ZINC000289738702 511112547 /nfs/dbraw/zinc/11/25/47/511112547.db2.gz IIIGNTPMFQDXIR-UHFFFAOYSA-N -1 3 359.445 2.651 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000273594207 511545596 /nfs/dbraw/zinc/54/55/96/511545596.db2.gz QCHBVSWRZVUFQU-NSHDSACASA-N -1 3 360.366 2.946 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(OC)n(C)n1 ZINC000274732577 511923965 /nfs/dbraw/zinc/92/39/65/511923965.db2.gz FAMCSMBESABDIT-UHFFFAOYSA-N -1 3 368.231 2.559 20 10 FFCDHM COc1ccccc1[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1noc(C)n1 ZINC000367961348 512742291 /nfs/dbraw/zinc/74/22/91/512742291.db2.gz DFPBLJMNKLZDHC-HNNXBMFYSA-N -1 3 369.377 2.626 20 10 FFCDHM C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378429817 512755356 /nfs/dbraw/zinc/75/53/56/512755356.db2.gz TWLLJQOCNHBUBM-VBNZEHGJSA-N -1 3 352.862 2.551 20 10 FFCDHM O=C(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)C1CCOCC1 ZINC000378439296 512759969 /nfs/dbraw/zinc/75/99/69/512759969.db2.gz ODUGKBIGRXIZLQ-UHFFFAOYSA-N -1 3 352.862 2.553 20 10 FFCDHM COc1c([O-])c(CN[C@@H]2CCN(C(C)=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000368468695 512962435 /nfs/dbraw/zinc/96/24/35/512962435.db2.gz GCDHPSPOFMEXMK-OAHLLOKOSA-N -1 3 371.393 2.897 20 10 FFCDHM Cc1c2ccccc2n(C)c1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000471235157 514809479 /nfs/dbraw/zinc/80/94/79/514809479.db2.gz QZXDENIEBBKHHG-UHFFFAOYSA-N -1 3 352.438 2.848 20 10 FFCDHM CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccncc2[O-])C1 ZINC000562938326 517515743 /nfs/dbraw/zinc/51/57/43/517515743.db2.gz FGAOVXHDRSYUTB-UHFFFAOYSA-N -1 3 364.449 2.569 20 10 FFCDHM Cc1ccc2[n-]cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c(=O)c2c1 ZINC000543433637 518086503 /nfs/dbraw/zinc/08/65/03/518086503.db2.gz ICEMZYJYNXGAJR-UHFFFAOYSA-N -1 3 363.417 2.942 20 10 FFCDHM COc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC000737130972 598264243 /nfs/dbraw/zinc/26/42/43/598264243.db2.gz KHFVDQBYNYJARN-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM COc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1O ZINC000737130972 598264245 /nfs/dbraw/zinc/26/42/45/598264245.db2.gz KHFVDQBYNYJARN-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM CN(CCCNC(=S)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736799302 598317164 /nfs/dbraw/zinc/31/71/64/598317164.db2.gz BKFHWMGQHYMOIK-UHFFFAOYSA-N -1 3 367.482 2.680 20 10 FFCDHM CN(CCCNC(=S)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736799302 598317166 /nfs/dbraw/zinc/31/71/66/598317166.db2.gz BKFHWMGQHYMOIK-UHFFFAOYSA-N -1 3 367.482 2.680 20 10 FFCDHM CCN(CC)c1ccc(CN(C)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736532449 598607280 /nfs/dbraw/zinc/60/72/80/598607280.db2.gz SBUICVIZSSXABA-UHFFFAOYSA-N -1 3 364.453 2.985 20 10 FFCDHM CCN(CC)c1ccc(CN(C)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736532449 598607282 /nfs/dbraw/zinc/60/72/82/598607282.db2.gz SBUICVIZSSXABA-UHFFFAOYSA-N -1 3 364.453 2.985 20 10 FFCDHM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000833306822 601632412 /nfs/dbraw/zinc/63/24/12/601632412.db2.gz AEKWBLSGYXDSQK-QZTJIDSGSA-N -1 3 357.406 2.623 20 10 FFCDHM C[C@@H](N[C@@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471937 604359353 /nfs/dbraw/zinc/35/93/53/604359353.db2.gz DLFLMMFKOKNHFO-PXAZEXFGSA-N -1 3 367.877 2.873 20 10 FFCDHM C[C@@H](NCC(C)(C)NC(=O)[O-])c1ccc(N2CCOCC2)cc1Cl ZINC000825486319 605105670 /nfs/dbraw/zinc/10/56/70/605105670.db2.gz WOZMBGMDUBDMFH-GFCCVEGCSA-N -1 3 355.866 2.873 20 10 FFCDHM COc1ccc(O)c(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821837282 607194907 /nfs/dbraw/zinc/19/49/07/607194907.db2.gz CEERAAATSXNNES-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM COc1ccc(O)c(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821837282 607194908 /nfs/dbraw/zinc/19/49/08/607194908.db2.gz CEERAAATSXNNES-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3O)cc(-c3nnn[n-]3)c2c1 ZINC000826499607 608376491 /nfs/dbraw/zinc/37/64/91/608376491.db2.gz PGBMUCGUPGPICX-UHFFFAOYSA-N -1 3 363.337 2.641 20 10 FFCDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3O)cc(-c3nn[n-]n3)c2c1 ZINC000826499607 608376493 /nfs/dbraw/zinc/37/64/93/608376493.db2.gz PGBMUCGUPGPICX-UHFFFAOYSA-N -1 3 363.337 2.641 20 10 FFCDHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC000824761926 608417768 /nfs/dbraw/zinc/41/77/68/608417768.db2.gz DBAPKQRZPUQTRY-CYBMUJFWSA-N -1 3 350.426 2.893 20 10 FFCDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC000824761926 608417770 /nfs/dbraw/zinc/41/77/70/608417770.db2.gz DBAPKQRZPUQTRY-CYBMUJFWSA-N -1 3 350.426 2.893 20 10 FFCDHM COc1nn(C)cc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000898022779 735304272 /nfs/dbraw/zinc/30/42/72/735304272.db2.gz KTMJVWPFLCTGOC-UHFFFAOYSA-N -1 3 360.639 2.840 20 10 FFCDHM O=C(Nc1cccc(I)c1)c1cccc(O)c1[O-] ZINC000126173953 728694833 /nfs/dbraw/zinc/69/48/33/728694833.db2.gz WJGXIBCGBXWOTD-UHFFFAOYSA-N -1 3 355.131 2.955 20 10 FFCDHM C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000133736634 728727730 /nfs/dbraw/zinc/72/77/30/728727730.db2.gz MEYLXFHCJQSHKT-OAHLLOKOSA-N -1 3 365.905 2.564 20 10 FFCDHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000170903074 728991558 /nfs/dbraw/zinc/99/15/58/728991558.db2.gz JPGDSMWYKJPGEU-STQMWFEESA-N -1 3 354.472 2.708 20 10 FFCDHM CN(C)C(=O)O[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862383276 730694932 /nfs/dbraw/zinc/69/49/32/730694932.db2.gz OVZZMXJXZIMOEM-NSHDSACASA-N -1 3 357.248 2.817 20 10 FFCDHM Cc1occc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876684474 732268621 /nfs/dbraw/zinc/26/86/21/732268621.db2.gz OIYDGMRVXUVNHQ-UHFFFAOYSA-N -1 3 350.365 2.966 20 10 FFCDHM CC1(C)OC[C@@H]([C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)O1 ZINC000877784848 732430313 /nfs/dbraw/zinc/43/03/13/732430313.db2.gz NEOLENPNDMHICY-GJZGRUSLSA-N -1 3 372.259 2.507 20 10 FFCDHM O=C1CC[C@@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CC[C@@H]2N1 ZINC000895258127 734982376 /nfs/dbraw/zinc/98/23/76/734982376.db2.gz BPENHWJONXLBNX-RNCFNFMXSA-N -1 3 373.678 2.909 20 10 FFCDHM CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(Br)cc1[O-] ZINC000895863232 735066166 /nfs/dbraw/zinc/06/61/66/735066166.db2.gz JPXRVLLMGUXTGV-KGLIPLIRSA-N -1 3 372.259 2.745 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)CC(C)(C)C)CC2)c1[O-] ZINC000750817501 735817390 /nfs/dbraw/zinc/81/73/90/735817390.db2.gz ODOJFKWDCJZCQH-UHFFFAOYSA-N -1 3 350.434 2.814 20 10 FFCDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000769467597 737532874 /nfs/dbraw/zinc/53/28/74/737532874.db2.gz YBBBTBOQGUQNBZ-AWEZNQCLSA-N -1 3 372.259 2.697 20 10 FFCDHM CC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769784671 737565797 /nfs/dbraw/zinc/56/57/97/737565797.db2.gz QJEKOMHIVCBSHR-SFHVURJKSA-N -1 3 362.451 2.819 20 10 FFCDHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769958380 737586922 /nfs/dbraw/zinc/58/69/22/737586922.db2.gz UDFHQYIEGGKPRN-UKRRQHHQSA-N -1 3 372.512 2.558 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c([O-])c1O ZINC000770490799 737632130 /nfs/dbraw/zinc/63/21/30/737632130.db2.gz QVRGMUIXBAKJGB-UHFFFAOYSA-N -1 3 363.435 2.982 20 10 FFCDHM O=S(=O)(CCC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000770689615 737653223 /nfs/dbraw/zinc/65/32/23/737653223.db2.gz VGIZKQBYGSHDFO-MRXNPFEDSA-N -1 3 372.918 2.730 20 10 FFCDHM C[C@@H](CC1CCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000773754900 737933008 /nfs/dbraw/zinc/93/30/08/737933008.db2.gz PKXIJCOEEUSUBI-LBPRGKRZSA-N -1 3 354.472 2.852 20 10 FFCDHM COCCNS(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000922367597 738130270 /nfs/dbraw/zinc/13/02/70/738130270.db2.gz HPTWPBAYGVQWLB-UHFFFAOYSA-N -1 3 370.858 2.582 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCc3n[nH]c(=O)cc3C2)c1 ZINC000775997712 738150778 /nfs/dbraw/zinc/15/07/78/738150778.db2.gz XYNLAKYBDWGXRK-UHFFFAOYSA-N -1 3 350.216 2.517 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC000928706240 738897801 /nfs/dbraw/zinc/89/78/01/738897801.db2.gz PMMMVYGSWSAXNB-UHFFFAOYSA-N -1 3 363.410 2.788 20 10 FFCDHM CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928708537 738898260 /nfs/dbraw/zinc/89/82/60/738898260.db2.gz NZZKHFSHSJTQCE-UHFFFAOYSA-N -1 3 365.426 2.572 20 10 FFCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cnn1 ZINC000787131293 739107559 /nfs/dbraw/zinc/10/75/59/739107559.db2.gz MLNBHBAGSZNUGL-MRXNPFEDSA-N -1 3 360.845 2.538 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000790416692 739451486 /nfs/dbraw/zinc/45/14/86/739451486.db2.gz BJWSMVDBTWZBGW-UHFFFAOYSA-N -1 3 362.407 2.712 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCn3c(cnc3C(F)(F)F)C2)c1[O-] ZINC000932583096 739471751 /nfs/dbraw/zinc/47/17/51/739471751.db2.gz BGWIFPJRJQAREM-UHFFFAOYSA-N -1 3 357.307 2.965 20 10 FFCDHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000790873238 739507360 /nfs/dbraw/zinc/50/73/60/739507360.db2.gz JVLNHKXJYKKIEJ-LBPRGKRZSA-N -1 3 352.431 2.767 20 10 FFCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC2(CCOCC2)O1 ZINC000790929755 739515224 /nfs/dbraw/zinc/51/52/24/739515224.db2.gz BFILJJFVMUQXGX-GFCCVEGCSA-N -1 3 356.260 2.925 20 10 FFCDHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C ZINC000796455513 740144938 /nfs/dbraw/zinc/14/49/38/740144938.db2.gz MHJPSBLBLAYHDW-FRRDWIJNSA-N -1 3 354.472 2.566 20 10 FFCDHM CCN(CC(=O)N1CCCCCC1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796603330 740160565 /nfs/dbraw/zinc/16/05/65/740160565.db2.gz QNYWCEOHVBXSMI-UHFFFAOYSA-N -1 3 350.434 2.958 20 10 FFCDHM COC(=O)c1cnc([C@@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])s1 ZINC000823456173 742915879 /nfs/dbraw/zinc/91/58/79/742915879.db2.gz PZHXYYRIAZAFAK-MRVPVSSYSA-N -1 3 352.387 2.828 20 10 FFCDHM CC(C)OCCN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824851292 743164182 /nfs/dbraw/zinc/16/41/82/743164182.db2.gz YSHLAIYPTZWZDL-UHFFFAOYSA-N -1 3 357.292 2.697 20 10 FFCDHM O=C1NCCN(Cc2ccc(Br)cc2[O-])[C@H]1c1cccs1 ZINC000824856330 743165244 /nfs/dbraw/zinc/16/52/44/743165244.db2.gz VVSWDILZPCEIEM-AWEZNQCLSA-N -1 3 367.268 2.889 20 10 FFCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000825748426 743321729 /nfs/dbraw/zinc/32/17/29/743321729.db2.gz AJSZJYBUBLNYGA-GOEBONIOSA-N -1 3 356.260 2.925 20 10 FFCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)S1(=O)=O ZINC000825900745 743341012 /nfs/dbraw/zinc/34/10/12/743341012.db2.gz PWQBUTZUULSKKC-GWCFXTLKSA-N -1 3 362.289 2.552 20 10 FFCDHM CC(C)NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000827681800 744959576 /nfs/dbraw/zinc/95/95/76/744959576.db2.gz ZDNHYNSARCSDGG-LLVKDONJSA-N -1 3 355.822 2.690 20 10 FFCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843433183 747836586 /nfs/dbraw/zinc/83/65/86/747836586.db2.gz WAJQZYJFRJTUHE-CYBMUJFWSA-N -1 3 354.731 2.685 20 10 FFCDHM O=C1COC2(CN(Cc3c([O-])cccc3Cl)C2)CN1CC1CCCC1 ZINC001275842325 1013074805 /nfs/dbraw/zinc/07/48/05/1013074805.db2.gz JDUUOTNRRUJMDI-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@@H]2c2ccccc2C)c1[O-] ZINC000759920057 972209101 /nfs/dbraw/zinc/20/91/01/972209101.db2.gz BNFWSAMZORWXHL-SFHVURJKSA-N -1 3 356.397 2.715 20 10 FFCDHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107622 962706049 /nfs/dbraw/zinc/70/60/49/962706049.db2.gz NVEKTKMJRLDVSB-UHFFFAOYSA-N -1 3 353.413 2.686 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)c([O-])c1O ZINC000177673280 969302524 /nfs/dbraw/zinc/30/25/24/969302524.db2.gz JNZNESHRRMIHCX-UHFFFAOYSA-N -1 3 353.378 2.971 20 10 FFCDHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000157827069 984678017 /nfs/dbraw/zinc/67/80/17/984678017.db2.gz GUZYKLUGMRJYAP-CQSZACIVSA-N -1 3 373.428 2.928 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3cccc(O)c3)CC2)c1[O-] ZINC000175701507 991241845 /nfs/dbraw/zinc/24/18/45/991241845.db2.gz PVYOVGTULICUBY-UHFFFAOYSA-N -1 3 358.413 2.757 20 10 FFCDHM O=C1CCC[C@H]2CN(Cc3cccc(I)c3[O-])C[C@@H]12 ZINC001237785044 992718945 /nfs/dbraw/zinc/71/89/45/992718945.db2.gz CBRCENUJEGSTQF-CMPLNLGQSA-N -1 3 371.218 2.798 20 10 FFCDHM O=C1NCCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)O1 ZINC001144308067 998305037 /nfs/dbraw/zinc/30/50/37/998305037.db2.gz NBGNORGTGLJECB-UHFFFAOYSA-N -1 3 373.222 2.758 20 10 FFCDHM COCCN1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1=O ZINC000768467780 1000265141 /nfs/dbraw/zinc/26/51/41/1000265141.db2.gz IGHOLZXBEQYKGD-UHFFFAOYSA-N -1 3 354.406 2.582 20 10 FFCDHM C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000846471215 1000320362 /nfs/dbraw/zinc/32/03/62/1000320362.db2.gz SXQOJLWTXZWMNA-BXUZGUMPSA-N -1 3 357.410 2.699 20 10 FFCDHM CCOC(=O)c1sc(SC)nc1NC(=O)c1cccc(O)c1[O-] ZINC001148212178 1001068282 /nfs/dbraw/zinc/06/82/82/1001068282.db2.gz PTZXJUYJTYTMSQ-UHFFFAOYSA-N -1 3 354.409 2.705 20 10 FFCDHM CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1[O-] ZINC001148219026 1001071321 /nfs/dbraw/zinc/07/13/21/1001071321.db2.gz RZYUZOFXLRNNNA-INIZCTEOSA-N -1 3 368.433 2.580 20 10 FFCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)nc(C)c1Br ZINC001148581210 1001174398 /nfs/dbraw/zinc/17/43/98/1001174398.db2.gz PGJNHZZRPBJLGT-UHFFFAOYSA-N -1 3 353.172 2.830 20 10 FFCDHM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148587051 1001176986 /nfs/dbraw/zinc/17/69/86/1001176986.db2.gz BNRTVBYPTBEAHE-UHFFFAOYSA-N -1 3 356.334 2.714 20 10 FFCDHM COc1c([O-])c(CN2CCN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774814513 1002792258 /nfs/dbraw/zinc/79/22/58/1002792258.db2.gz LTOKIGZXFLIMFV-QGZVFWFLSA-N -1 3 357.410 2.798 20 10 FFCDHM O=c1cc(C=Cc2ccc(N3CCOCC3)cc2)nc(-c2ccncc2)[n-]1 ZINC000806563772 1004362869 /nfs/dbraw/zinc/36/28/69/1004362869.db2.gz ZFYUWWSHXPPUFH-RJRFIUFISA-N -1 3 360.417 2.839 20 10 FFCDHM CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc2C1 ZINC000853027810 1006277863 /nfs/dbraw/zinc/27/78/63/1006277863.db2.gz GDRQVWAKMQQPKO-UHFFFAOYSA-N -1 3 374.462 2.980 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@](N)(C(F)(F)F)C2)cc1Br ZINC001206243728 1032197665 /nfs/dbraw/zinc/19/76/65/1032197665.db2.gz FVJIIWHDSIFQRT-GFCCVEGCSA-N -1 3 369.181 2.629 20 10 FFCDHM CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001116226750 1032203084 /nfs/dbraw/zinc/20/30/84/1032203084.db2.gz ZVRKLZHSCULCND-UHFFFAOYSA-N -1 3 373.434 2.517 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 ZINC000817105685 1007411674 /nfs/dbraw/zinc/41/16/74/1007411674.db2.gz BUQVJEOLAUSXNI-HNNXBMFYSA-N -1 3 374.462 2.784 20 10 FFCDHM CCc1cccnc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217056921 1032599002 /nfs/dbraw/zinc/59/90/02/1032599002.db2.gz XGOCZTQEOZKPSP-UHFFFAOYSA-N -1 3 366.421 2.899 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(Cl)ccc2[O-])C1=O ZINC001275247746 1012136542 /nfs/dbraw/zinc/13/65/42/1012136542.db2.gz FVOYAEXACXUIIA-KZULUSFZSA-N -1 3 350.846 2.590 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000928710507 1019082735 /nfs/dbraw/zinc/08/27/35/1019082735.db2.gz UAUFTZUAIKZHII-KRWDZBQOSA-N -1 3 366.396 2.760 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(CCN2CCOCC2)cc1 ZINC000929892077 1019723205 /nfs/dbraw/zinc/72/32/05/1019723205.db2.gz XUETZLZXDNYUGZ-UHFFFAOYSA-N -1 3 373.428 2.728 20 10 FFCDHM COCN1C(=O)CCc2cc(NC(=O)NCc3c([O-])cccc3F)ccc21 ZINC000931230475 1020383243 /nfs/dbraw/zinc/38/32/43/1020383243.db2.gz CJEAGTWGCQJKSJ-UHFFFAOYSA-N -1 3 373.384 2.736 20 10 FFCDHM CCCCN1CC2(CN(Cc3ccc(C(F)(F)F)cc3[O-])C2)OCC1=O ZINC001276764587 1032922708 /nfs/dbraw/zinc/92/27/08/1032922708.db2.gz BPUQPVINAZKPBL-UHFFFAOYSA-N -1 3 372.387 2.624 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CC[NH2+]C[C@H]3C)c1C2=O ZINC001218415689 1033146521 /nfs/dbraw/zinc/14/65/21/1033146521.db2.gz PMDQXIMSRIEJEC-BDJLRTHQSA-N -1 3 367.401 2.558 20 10 FFCDHM C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713627 1023748647 /nfs/dbraw/zinc/74/86/47/1023748647.db2.gz XDYLDNMBXDHOTH-ABAIWWIYSA-N -1 3 359.357 2.896 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001121556553 1023847180 /nfs/dbraw/zinc/84/71/80/1023847180.db2.gz FKQNOJWPYHDJRQ-GHMZBOCLSA-N -1 3 373.507 2.987 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c([O-])c1O ZINC000780893081 1028853084 /nfs/dbraw/zinc/85/30/84/1028853084.db2.gz NDAXDAKILMBJAJ-BETUJISGSA-N -1 3 357.410 2.667 20 10 FFCDHM Cc1noc(COc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)n1 ZINC000780942748 1028883959 /nfs/dbraw/zinc/88/39/59/1028883959.db2.gz CWZFJUCRQQFCTA-UHFFFAOYSA-N -1 3 355.350 2.929 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2n[nH]nc2cc1F ZINC001156086287 1029040360 /nfs/dbraw/zinc/04/03/60/1029040360.db2.gz GBQUEOSVRCSQGF-UHFFFAOYSA-N -1 3 371.759 2.934 20 10 FFCDHM NC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(C2CC2)n1 ZINC001157726891 1029651917 /nfs/dbraw/zinc/65/19/17/1029651917.db2.gz CXGKXOHEZDULSI-UHFFFAOYSA-N -1 3 369.812 2.972 20 10 FFCDHM [O-]c1c(CNc2cc(N3CCOCC3)ncn2)cc(Cl)c2cccnc12 ZINC001157723961 1029652212 /nfs/dbraw/zinc/65/22/12/1029652212.db2.gz GTZUUZDNIQURHX-UHFFFAOYSA-N -1 3 371.828 2.833 20 10 FFCDHM C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840882475 1029903550 /nfs/dbraw/zinc/90/35/50/1029903550.db2.gz OLUMMLTYMYNONJ-BDJLRTHQSA-N -1 3 359.357 2.896 20 10 FFCDHM CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203656772 1030807342 /nfs/dbraw/zinc/80/73/42/1030807342.db2.gz XMSILAIUNQJGAP-SFHVURJKSA-N -1 3 365.861 2.633 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001203664545 1030811337 /nfs/dbraw/zinc/81/13/37/1030811337.db2.gz JXYLDDBZCMGXQG-UHFFFAOYSA-N -1 3 373.888 2.758 20 10 FFCDHM [O-]c1c(F)cccc1CN1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001138125334 1033803643 /nfs/dbraw/zinc/80/36/43/1033803643.db2.gz OHILDZIXYMSVFL-OAHLLOKOSA-N -1 3 368.412 2.834 20 10 FFCDHM CCCCN1C[C@]2(CC1=O)COCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001277097627 1034517237 /nfs/dbraw/zinc/51/72/37/1034517237.db2.gz JFEMRWFNSZTGQI-LJQANCHMSA-N -1 3 368.424 2.521 20 10 FFCDHM COC[C@@H]1Cn2nccc2CN(Cc2c([O-])cccc2Br)C1 ZINC001140100814 1035341746 /nfs/dbraw/zinc/34/17/46/1035341746.db2.gz CWBXOFMQODRIFQ-LBPRGKRZSA-N -1 3 366.259 2.630 20 10 FFCDHM COC[C@H]1Cn2ccnc2CN(Cc2c([O-])cccc2Br)C1 ZINC001140100451 1035341891 /nfs/dbraw/zinc/34/18/91/1035341891.db2.gz PMHSJEUZUUNUFR-GFCCVEGCSA-N -1 3 366.259 2.630 20 10 FFCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2nnn(CC)c21 ZINC001140338755 1035443418 /nfs/dbraw/zinc/44/34/18/1035443418.db2.gz OPJFXSWXLPBYNN-GFCCVEGCSA-N -1 3 350.850 2.793 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)N(Cc2ccc(Cl)cc2[O-])C1 ZINC001140464439 1035484800 /nfs/dbraw/zinc/48/48/00/1035484800.db2.gz PWWPIPCPTXFWBX-UONOGXRCSA-N -1 3 356.850 2.506 20 10 FFCDHM CN(C)c1ccc(/C=C/CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000835025367 1035489015 /nfs/dbraw/zinc/48/90/15/1035489015.db2.gz IOLQGQAYFGQZAC-AATRIKPKSA-N -1 3 365.477 2.929 20 10 FFCDHM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232269322 1035540783 /nfs/dbraw/zinc/54/07/83/1035540783.db2.gz ZPJBZDBKOBFOJR-CQSZACIVSA-N -1 3 367.854 2.799 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCOC[C@H]1C1CC1 ZINC001232978080 1036211867 /nfs/dbraw/zinc/21/18/67/1036211867.db2.gz WUJJEZFNUFEDQC-ZDUSSCGKSA-N -1 3 359.207 2.608 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)CC[C@@H]2CO)cc1Br ZINC001233135025 1036385419 /nfs/dbraw/zinc/38/54/19/1036385419.db2.gz JRMABWNKZAQAMT-SNVBAGLBSA-N -1 3 366.202 2.755 20 10 FFCDHM CC1(C)OC[C@H](COc2cccc3c2C(=O)c2cccc([O-])c2C3=O)O1 ZINC001229186685 1036538178 /nfs/dbraw/zinc/53/81/78/1036538178.db2.gz NUBJGSUDVBABIZ-NSHDSACASA-N -1 3 354.358 2.698 20 10 FFCDHM O=C1c2cccc(O[C@@H](C[N+](=O)[O-])C3CC3)c2C(=O)c2cccc([O-])c21 ZINC001229192433 1036543324 /nfs/dbraw/zinc/54/33/24/1036543324.db2.gz NBFBRVYFQWHESD-HNNXBMFYSA-N -1 3 353.330 2.602 20 10 FFCDHM CC1=C(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C(=O)O[C@H]1C ZINC001229192267 1036543739 /nfs/dbraw/zinc/54/37/39/1036543739.db2.gz JNVODCIGSKTWBF-JTQLQIEISA-N -1 3 350.326 2.766 20 10 FFCDHM CCOC(=O)c1cn2c(n1)CN(Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233454152 1036633647 /nfs/dbraw/zinc/63/36/47/1036633647.db2.gz IKHZMRYIBSNPKG-UHFFFAOYSA-N -1 3 369.343 2.800 20 10 FFCDHM C[C@@H]1COCC[C@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234753452 1037169947 /nfs/dbraw/zinc/16/99/47/1037169947.db2.gz OIZZJDNEOYHZOE-YMTOWFKASA-N -1 3 358.346 2.867 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@](O)(CF)CC1 ZINC001235056790 1037329921 /nfs/dbraw/zinc/32/99/21/1037329921.db2.gz FWIWABXEBPRVCO-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM O=C1CCC2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)O1 ZINC001235067968 1037340665 /nfs/dbraw/zinc/34/06/65/1037340665.db2.gz BBDGEEFOKBSEIL-UHFFFAOYSA-N -1 3 358.207 2.965 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231449932 1037587580 /nfs/dbraw/zinc/58/75/80/1037587580.db2.gz OAXUDDHXYYSJIV-GJZGRUSLSA-N -1 3 362.426 2.674 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231449932 1037587587 /nfs/dbraw/zinc/58/75/87/1037587587.db2.gz OAXUDDHXYYSJIV-GJZGRUSLSA-N -1 3 362.426 2.674 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)c([O-])c1 ZINC001231452163 1037593227 /nfs/dbraw/zinc/59/32/27/1037593227.db2.gz CCSNDCWRNJJJNN-UHFFFAOYSA-N -1 3 367.405 2.717 20 10 FFCDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455640 1037598292 /nfs/dbraw/zinc/59/82/92/1037598292.db2.gz SKYLOPYGRLRBEA-WFASDCNBSA-N -1 3 364.442 2.826 20 10 FFCDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455640 1037598294 /nfs/dbraw/zinc/59/82/94/1037598294.db2.gz SKYLOPYGRLRBEA-WFASDCNBSA-N -1 3 364.442 2.826 20 10 FFCDHM NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566087 1037689603 /nfs/dbraw/zinc/68/96/03/1037689603.db2.gz PUQNCBDAYHCITC-HKUYNNGSSA-N -1 3 368.433 2.714 20 10 FFCDHM NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566087 1037689608 /nfs/dbraw/zinc/68/96/08/1037689608.db2.gz PUQNCBDAYHCITC-HKUYNNGSSA-N -1 3 368.433 2.714 20 10 FFCDHM CS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231911833 1038007953 /nfs/dbraw/zinc/00/79/53/1038007953.db2.gz QVKAUCLMAULZOD-KRWDZBQOSA-N -1 3 372.918 2.826 20 10 FFCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(C)cc(Br)c3[O-])C[C@@H]21 ZINC001236669631 1038183685 /nfs/dbraw/zinc/18/36/85/1038183685.db2.gz PXYGLZHZIFIYFN-IMRBUKKESA-N -1 3 354.244 2.704 20 10 FFCDHM COc1cc([O-])c(CN2CC(N3CCC(F)CC3)C2)c(Br)c1 ZINC001237073072 1038436674 /nfs/dbraw/zinc/43/66/74/1038436674.db2.gz NVSFBPJEOIIULL-UHFFFAOYSA-N -1 3 373.266 2.781 20 10 FFCDHM CC(C)(C)c1ccc(OC[C@H](O)CNCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001252769264 1039696390 /nfs/dbraw/zinc/69/63/90/1039696390.db2.gz MPHFJBKJULVOON-MRXNPFEDSA-N -1 3 373.449 2.608 20 10 FFCDHM CN(C)C(=O)CN1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1 ZINC001248883901 1040493345 /nfs/dbraw/zinc/49/33/45/1040493345.db2.gz RKKUARBUDVGHEX-UHFFFAOYSA-N -1 3 367.921 2.549 20 10 FFCDHM CC(C)(C)c1cc([O-])c(CN2CCN(c3ncncn3)CC2)cc1Cl ZINC001248885211 1040493903 /nfs/dbraw/zinc/49/39/03/1040493903.db2.gz NMCUKLFBQJFEPE-UHFFFAOYSA-N -1 3 361.877 2.850 20 10 FFCDHM O=S(=O)(Cc1cccc(Br)c1)NCc1c([O-])cccc1F ZINC001213797416 1040919786 /nfs/dbraw/zinc/91/97/86/1040919786.db2.gz BGRCZDSTHBCDAR-UHFFFAOYSA-N -1 3 374.231 2.913 20 10 FFCDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(C)c(Br)cc1[O-] ZINC001250120809 1041122021 /nfs/dbraw/zinc/12/20/21/1041122021.db2.gz QNVSNJGIPCHWKD-WBMJQRKESA-N -1 3 354.244 2.991 20 10 FFCDHM [O-]c1c(F)cccc1CN1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001279525034 1043224284 /nfs/dbraw/zinc/22/42/84/1043224284.db2.gz BCEXZUWQIBTLIC-OKILXGFUSA-N -1 3 362.367 2.759 20 10 FFCDHM CCC1=NC2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)C(=O)N1C ZINC001237803304 1043367776 /nfs/dbraw/zinc/36/77/76/1043367776.db2.gz SDUYBCIIVYNBTE-UHFFFAOYSA-N -1 3 353.825 2.800 20 10 FFCDHM COc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c([O-])c1Cl ZINC001279664811 1043427342 /nfs/dbraw/zinc/42/73/42/1043427342.db2.gz DVIMIITZYHDLQA-IYBDPMFKSA-N -1 3 366.889 2.882 20 10 FFCDHM CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1c([O-])ccc(F)c1Cl ZINC001279683864 1043464431 /nfs/dbraw/zinc/46/44/31/1043464431.db2.gz KMHYWUOQGCHREM-KBPBESRZSA-N -1 3 355.841 2.951 20 10 FFCDHM CNC(=O)c1ccc(Cl)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001310132105 1043641179 /nfs/dbraw/zinc/64/11/79/1043641179.db2.gz GLAZOBVABVBIDN-UHFFFAOYSA-N -1 3 351.765 2.866 20 10 FFCDHM O=C(NCc1cccc(Br)c1[O-])c1ccn(-c2ccncc2)n1 ZINC001320824294 1045475456 /nfs/dbraw/zinc/47/54/56/1045475456.db2.gz GNVWSSMJMPYVKM-UHFFFAOYSA-N -1 3 373.210 2.665 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)Cc1ccn(C)n1 ZINC001341840997 1050452780 /nfs/dbraw/zinc/45/27/80/1050452780.db2.gz CNJVJOSEARGFQQ-UHFFFAOYSA-N -1 3 369.454 2.650 20 10 FFCDHM CCN(Cc1cnn(C)c1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001341903542 1050503534 /nfs/dbraw/zinc/50/35/34/1050503534.db2.gz VYKFAJPCVLUBMU-UHFFFAOYSA-N -1 3 369.454 2.557 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001340987859 1051323696 /nfs/dbraw/zinc/32/36/96/1051323696.db2.gz XHEZBYLXRAVRRY-RYUDHWBXSA-N -1 3 359.455 2.894 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)NCc2c([O-])cccc2F)C1 ZINC001303875403 1051464235 /nfs/dbraw/zinc/46/42/35/1051464235.db2.gz IAVRYZMMKWOTTC-ABAIWWIYSA-N -1 3 370.396 2.743 20 10 FFCDHM O=C(Nc1cccc2c1CCN2C(=O)C(F)(F)F)c1cccc(O)c1[O-] ZINC001306899032 1052216012 /nfs/dbraw/zinc/21/60/12/1052216012.db2.gz WMRXQZGAASKTDU-UHFFFAOYSA-N -1 3 366.295 2.802 20 10 FFCDHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1F ZINC001453549265 1059383271 /nfs/dbraw/zinc/38/32/71/1059383271.db2.gz NPYRWPKUNGXFNZ-SNVBAGLBSA-N -1 3 363.341 2.738 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1nc2c(s1)CCCCC2 ZINC001517001721 1060297852 /nfs/dbraw/zinc/29/78/52/1060297852.db2.gz ZWSPOPLGVWSLEX-UHFFFAOYSA-N -1 3 363.414 2.512 20 10 FFCDHM [O-]c1c(CN2CCN(CCCOCC(F)(F)F)CC2)ccc(F)c1F ZINC001474382200 1065508118 /nfs/dbraw/zinc/50/81/18/1065508118.db2.gz GBLFSILADDTAIS-UHFFFAOYSA-N -1 3 368.346 2.757 20 10 FFCDHM Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(-c2nnn[n-]2)c1 ZINC001580984936 1078903443 /nfs/dbraw/zinc/90/34/43/1078903443.db2.gz FGIRCOVEHPFKIX-UHFFFAOYSA-N -1 3 350.342 2.590 20 10 FFCDHM Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(-c2nn[n-]n2)c1 ZINC001580984936 1078903446 /nfs/dbraw/zinc/90/34/46/1078903446.db2.gz FGIRCOVEHPFKIX-UHFFFAOYSA-N -1 3 350.342 2.590 20 10 FFCDHM Cc1nn(C)c(NC(=O)NCc2c([O-])cccc2F)c1Br ZINC001562856523 1074012894 /nfs/dbraw/zinc/01/28/94/1074012894.db2.gz YSXKBMFCDWDIMQ-UHFFFAOYSA-N -1 3 357.183 2.657 20 10 FFCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1cccc(F)c1[N+](=O)[O-] ZINC001556516017 1075748993 /nfs/dbraw/zinc/74/89/93/1075748993.db2.gz WMGXPINDZDWKEH-UHFFFAOYSA-N -1 3 353.346 2.784 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373511877 512370852 /nfs/dbraw/zinc/37/08/52/512370852.db2.gz DGUWDBKZVRLMDW-HXUWFJFHSA-N -1 3 354.381 2.830 20 10 FFCDHM COC(=O)CN(Cc1nnc(C(C)C)o1)Cc1cc(Cl)ccc1[O-] ZINC000109779686 507986084 /nfs/dbraw/zinc/98/60/84/507986084.db2.gz KWBFWCRZHXBJQA-UHFFFAOYSA-N -1 3 353.806 2.727 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)OC1CCOCC1 ZINC000377639385 512371511 /nfs/dbraw/zinc/37/15/11/512371511.db2.gz CTSRNHWPXPAVJB-HNNXBMFYSA-N -1 3 368.861 2.915 20 10 FFCDHM CCN(CC)C(=O)c1ccc(NC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000111235328 508081160 /nfs/dbraw/zinc/08/11/60/508081160.db2.gz GFUCYJKLWNOTAF-UHFFFAOYSA-N -1 3 369.465 2.945 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000111660210 508114188 /nfs/dbraw/zinc/11/41/88/508114188.db2.gz HLZGXGKRWPSLQT-UHFFFAOYSA-N -1 3 366.483 2.950 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093413683 508144816 /nfs/dbraw/zinc/14/48/16/508144816.db2.gz RJSMPIHVKIQLSF-NSHDSACASA-N -1 3 364.305 2.800 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CCCF ZINC000123900412 508755996 /nfs/dbraw/zinc/75/59/96/508755996.db2.gz VYCFYDNLTOUOQR-UHFFFAOYSA-N -1 3 354.241 2.666 20 10 FFCDHM O=C(Nc1nncs1)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000377720988 512418359 /nfs/dbraw/zinc/41/83/59/512418359.db2.gz SEKBDXRWGUJRHG-UHFFFAOYSA-N -1 3 352.847 2.748 20 10 FFCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2C[C@H]1C ZINC000151877449 509101972 /nfs/dbraw/zinc/10/19/72/509101972.db2.gz BGZCSYLMNPQGNW-GFCCVEGCSA-N -1 3 360.435 2.799 20 10 FFCDHM Cc1cc(C)c2c(c1)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000188648397 509192562 /nfs/dbraw/zinc/19/25/62/509192562.db2.gz AATYPCHRWPJBHO-UHFFFAOYSA-N -1 3 374.462 2.579 20 10 FFCDHM O=C(NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000185786078 509354239 /nfs/dbraw/zinc/35/42/39/509354239.db2.gz LSKADLQAOIGAJU-HNNXBMFYSA-N -1 3 354.406 2.523 20 10 FFCDHM Cc1nc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccc(Cl)cc2)no1 ZINC000185904202 509415814 /nfs/dbraw/zinc/41/58/14/509415814.db2.gz HDORBMVHEBPGMG-CQSZACIVSA-N -1 3 359.769 2.962 20 10 FFCDHM CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(Br)ccc1[O-] ZINC000186029498 509488562 /nfs/dbraw/zinc/48/85/62/509488562.db2.gz KLTHZWPEZMNBHV-NXEZZACHSA-N -1 3 350.278 2.629 20 10 FFCDHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000186036408 509493104 /nfs/dbraw/zinc/49/31/04/509493104.db2.gz RAACXYVPLZUUIO-MRXNPFEDSA-N -1 3 374.462 2.741 20 10 FFCDHM C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186054981 509501718 /nfs/dbraw/zinc/50/17/18/509501718.db2.gz AJXZYXCQOVMNTH-RNCFNFMXSA-N -1 3 369.252 2.889 20 10 FFCDHM CCN(Cc1cc(Br)cc(C)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000180243924 509830671 /nfs/dbraw/zinc/83/06/71/509830671.db2.gz JFVKKRPNUSKMMI-LLVKDONJSA-N -1 3 364.305 2.718 20 10 FFCDHM COc1ccc([O-])c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000265432367 510051447 /nfs/dbraw/zinc/05/14/47/510051447.db2.gz SABCGYSVRRKYJR-INIZCTEOSA-N -1 3 357.406 2.928 20 10 FFCDHM Cc1cnccc1CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277154046 510955654 /nfs/dbraw/zinc/95/56/54/510955654.db2.gz AVLZPQCRGVGYEA-UHFFFAOYSA-N -1 3 359.813 2.756 20 10 FFCDHM C[C@@H]([C@@H]1CCCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277190467 510956776 /nfs/dbraw/zinc/95/67/76/510956776.db2.gz DAPPGUKPLWVQMB-NHYWBVRUSA-N -1 3 352.818 2.767 20 10 FFCDHM Cc1c([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cnn1C ZINC000277257409 510958484 /nfs/dbraw/zinc/95/84/84/510958484.db2.gz ILICNORUBBLQST-NSHDSACASA-N -1 3 362.817 2.613 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278475773 510994560 /nfs/dbraw/zinc/99/45/60/510994560.db2.gz IKBJMBGFPUOVEJ-UHFFFAOYSA-N -1 3 373.365 2.555 20 10 FFCDHM COc1c([O-])c(CNc2ccc(CC(=O)N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278563478 510998929 /nfs/dbraw/zinc/99/89/29/510998929.db2.gz BQCBWNGVYNJKEO-UHFFFAOYSA-N -1 3 359.382 2.552 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCn3c(Br)cnc3C2)c1[O-] ZINC000279330260 511047726 /nfs/dbraw/zinc/04/77/26/511047726.db2.gz TWWDZOBEVVNPHE-UHFFFAOYSA-N -1 3 368.206 2.709 20 10 FFCDHM CN(C)S(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294439940 511065817 /nfs/dbraw/zinc/06/58/17/511065817.db2.gz XSTYOCLJGGQAQA-UHFFFAOYSA-N -1 3 372.849 2.725 20 10 FFCDHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(O)c3[O-])ccc2NC1=O ZINC000279425129 511078747 /nfs/dbraw/zinc/07/87/47/511078747.db2.gz YRDSEEUDFXUJRJ-BMIGLBTASA-N -1 3 356.378 2.698 20 10 FFCDHM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000271319024 511161749 /nfs/dbraw/zinc/16/17/49/511161749.db2.gz WWNYGCVFMUBSBI-UHFFFAOYSA-N -1 3 369.421 2.705 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCc1cn[nH]c1 ZINC000292078382 511456934 /nfs/dbraw/zinc/45/69/34/511456934.db2.gz IZOODVKODNENMB-UHFFFAOYSA-N -1 3 367.247 2.652 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000272527504 511497649 /nfs/dbraw/zinc/49/76/49/511497649.db2.gz ABZNXZATXNLPOL-LBPRGKRZSA-N -1 3 350.415 2.536 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000272750537 511506587 /nfs/dbraw/zinc/50/65/87/511506587.db2.gz JWZMDOQISPPXRE-CYBMUJFWSA-N -1 3 364.442 2.735 20 10 FFCDHM Cc1cccc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)c1 ZINC000273227301 511520227 /nfs/dbraw/zinc/52/02/27/511520227.db2.gz LKVZLTKITTUIAP-HNNXBMFYSA-N -1 3 374.462 2.702 20 10 FFCDHM C[C@H](NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273301039 511521317 /nfs/dbraw/zinc/52/13/17/511521317.db2.gz BHEJUVILERWKKP-HNNXBMFYSA-N -1 3 371.437 2.983 20 10 FFCDHM C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391077 511524716 /nfs/dbraw/zinc/52/47/16/511524716.db2.gz KREFCONVZLMBOB-GFCCVEGCSA-N -1 3 364.423 2.696 20 10 FFCDHM C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424141 511524916 /nfs/dbraw/zinc/52/49/16/511524916.db2.gz SXSSPHRHLVTQAN-LLVKDONJSA-N -1 3 365.411 2.523 20 10 FFCDHM C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464398 511527895 /nfs/dbraw/zinc/52/78/95/511527895.db2.gz IOVBNAYGSIFJDL-GUYCJALGSA-N -1 3 355.394 2.752 20 10 FFCDHM C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570669 511537848 /nfs/dbraw/zinc/53/78/48/511537848.db2.gz KQJSBWCDWBCGAU-GUYCJALGSA-N -1 3 357.410 2.651 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1cnn(C)c1C ZINC000293268921 511900863 /nfs/dbraw/zinc/90/08/63/511900863.db2.gz GDBVWRYBQWHSMB-UHFFFAOYSA-N -1 3 366.259 2.788 20 10 FFCDHM O=C1[C@H](NCc2cc(Cl)c(F)cc2[O-])CCCN1Cc1ccccn1 ZINC000293609109 512025325 /nfs/dbraw/zinc/02/53/25/512025325.db2.gz LRRIFDLLNGIBKC-MRXNPFEDSA-N -1 3 363.820 2.861 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccncc2OCC(F)(F)F)c1 ZINC000282160891 512091592 /nfs/dbraw/zinc/09/15/92/512091592.db2.gz IKJYXZZUJRTFDB-UHFFFAOYSA-N -1 3 357.288 2.926 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC=C(c3ccccc3)C2)c1 ZINC000375966420 512592567 /nfs/dbraw/zinc/59/25/67/512592567.db2.gz ZPQILZLNFYQQDL-UHFFFAOYSA-N -1 3 372.446 2.693 20 10 FFCDHM COc1ccccc1[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1nccn1C ZINC000376843312 513012618 /nfs/dbraw/zinc/01/26/18/513012618.db2.gz FQMZAOBETBJOAY-INIZCTEOSA-N -1 3 367.405 2.668 20 10 FFCDHM CN(Cc1cc2c(cc1O)OCO2)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694065 604675017 /nfs/dbraw/zinc/67/50/17/604675017.db2.gz ICRLSCKHENMDJF-INIZCTEOSA-N -1 3 369.295 2.796 20 10 FFCDHM Cc1ncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000822466781 606965664 /nfs/dbraw/zinc/96/56/64/606965664.db2.gz AFYZPRIZJDPGQD-XQRVVYSFSA-N -1 3 360.830 2.961 20 10 FFCDHM Cc1ncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000822466781 606965665 /nfs/dbraw/zinc/96/56/65/606965665.db2.gz AFYZPRIZJDPGQD-XQRVVYSFSA-N -1 3 360.830 2.961 20 10 FFCDHM COc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1O ZINC000821868666 607198252 /nfs/dbraw/zinc/19/82/52/607198252.db2.gz UJNCGCVYXQIRSS-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM COc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1O ZINC000821868666 607198253 /nfs/dbraw/zinc/19/82/53/607198253.db2.gz UJNCGCVYXQIRSS-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM COCC[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826153998 607837617 /nfs/dbraw/zinc/83/76/17/607837617.db2.gz FWRDREZDGNBIEG-CYBMUJFWSA-N -1 3 369.425 2.856 20 10 FFCDHM CCN(CC)C(=O)[C@@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000092510379 728468169 /nfs/dbraw/zinc/46/81/69/728468169.db2.gz XHXQFRIPHHBIOH-AWEZNQCLSA-N -1 3 355.276 2.988 20 10 FFCDHM C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093077823 728473657 /nfs/dbraw/zinc/47/36/57/728473657.db2.gz YTQIBJHSHLYLQM-AWEZNQCLSA-N -1 3 365.905 2.611 20 10 FFCDHM O=C([C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCOCC1 ZINC000124480461 728671084 /nfs/dbraw/zinc/67/10/84/728671084.db2.gz JLPITLVCYDUYSR-GFCCVEGCSA-N -1 3 373.280 2.770 20 10 FFCDHM CCN(Cc1nc(CCOC)no1)Cc1cc(Br)ccc1[O-] ZINC000174422563 729071829 /nfs/dbraw/zinc/07/18/29/729071829.db2.gz KUVFCDHFGUDGHQ-UHFFFAOYSA-N -1 3 370.247 2.749 20 10 FFCDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000192837075 729460786 /nfs/dbraw/zinc/46/07/86/729460786.db2.gz SIAGPUYZJLLQSY-UHFFFAOYSA-N -1 3 362.480 2.862 20 10 FFCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)S1(=O)=O ZINC000862366466 730692321 /nfs/dbraw/zinc/69/23/21/730692321.db2.gz ITYGSXLNQWBOAB-QWRGUYRKSA-N -1 3 362.289 2.552 20 10 FFCDHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876545100 732255565 /nfs/dbraw/zinc/25/55/65/732255565.db2.gz AFHZVOXNWCOMNU-JTQLQIEISA-N -1 3 356.394 2.511 20 10 FFCDHM O=C1N[C@H](c2cc(Br)ccc2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877856097 732445284 /nfs/dbraw/zinc/44/52/84/732445284.db2.gz OFUFIOZLKSMKQZ-HOTGVXAUSA-N -1 3 359.223 2.883 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926404577 738611449 /nfs/dbraw/zinc/61/14/49/738611449.db2.gz ZJJHYQIIFNNAAP-NOZJJQNGSA-N -1 3 350.312 2.831 20 10 FFCDHM CCc1nn(C)c(OC)c1CNCc1cc(Br)cc(F)c1[O-] ZINC000883082049 733329509 /nfs/dbraw/zinc/32/95/09/733329509.db2.gz VQPPTWBXXUZUMM-UHFFFAOYSA-N -1 3 372.238 2.888 20 10 FFCDHM CC(=O)NC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893865141 734764016 /nfs/dbraw/zinc/76/40/16/734764016.db2.gz HYKBRJLCLBGKQZ-NSHDSACASA-N -1 3 359.239 2.642 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)c(F)cc1F ZINC000753371185 736061297 /nfs/dbraw/zinc/06/12/97/736061297.db2.gz QLDUICZAJYRVDG-UHFFFAOYSA-N -1 3 358.385 2.957 20 10 FFCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756776835 736360507 /nfs/dbraw/zinc/36/05/07/736360507.db2.gz SCLXGMRVZJAVSZ-ISVAXAHUSA-N -1 3 374.666 2.926 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)Cc2ccccc21 ZINC000774692463 738015721 /nfs/dbraw/zinc/01/57/21/738015721.db2.gz HGDCJMGJJDQFJB-UHFFFAOYSA-N -1 3 354.431 2.730 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000775098507 738061329 /nfs/dbraw/zinc/06/13/29/738061329.db2.gz WQVSLMSWBZFMOY-AWEZNQCLSA-N -1 3 364.320 2.852 20 10 FFCDHM CCOCCCNC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775652616 738109598 /nfs/dbraw/zinc/10/95/98/738109598.db2.gz OAWWTQUCXNTWGC-UHFFFAOYSA-N -1 3 372.868 2.940 20 10 FFCDHM CCOC(=O)[C@@H](NCc1cc(Br)ccc1[O-])C1CCOCC1 ZINC000789579177 739369737 /nfs/dbraw/zinc/36/97/37/739369737.db2.gz FHDXDXLCLFVGDL-HNNXBMFYSA-N -1 3 372.259 2.603 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CCNC(=O)O3)CC2)c1[O-] ZINC000932763932 739511364 /nfs/dbraw/zinc/51/13/64/739511364.db2.gz UWIPDPALFZOGBJ-UHFFFAOYSA-N -1 3 352.818 2.713 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000793232580 739755740 /nfs/dbraw/zinc/75/57/40/739755740.db2.gz YUUXIWJIHBVGPC-WBMJQRKESA-N -1 3 356.260 2.843 20 10 FFCDHM COC(=O)Cn1ncc(NCc2cc(C)cc(Br)c2[O-])c1C ZINC000793273477 739760941 /nfs/dbraw/zinc/76/09/41/739760941.db2.gz NISLRFCGBJIILW-UHFFFAOYSA-N -1 3 368.231 2.753 20 10 FFCDHM COc1ccccc1CCNC(=O)CNCc1c([O-])ccc(Cl)c1F ZINC000797884435 740284010 /nfs/dbraw/zinc/28/40/10/740284010.db2.gz VSISVYPQNMICRN-UHFFFAOYSA-N -1 3 366.820 2.642 20 10 FFCDHM Cc1ccccc1C(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000818332467 742263925 /nfs/dbraw/zinc/26/39/25/742263925.db2.gz ORTUZASYYWTDMF-UHFFFAOYSA-N -1 3 362.451 2.737 20 10 FFCDHM COCC(C)(C)N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000822498022 742744028 /nfs/dbraw/zinc/74/40/28/742744028.db2.gz SYJBICPOJIEEFF-UHFFFAOYSA-N -1 3 357.292 2.697 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000822504546 742745670 /nfs/dbraw/zinc/74/56/70/742745670.db2.gz UYGTYUGWPOYCJT-CYBMUJFWSA-N -1 3 351.248 2.892 20 10 FFCDHM CSc1ccc([O-])c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000823292902 742875288 /nfs/dbraw/zinc/87/52/88/742875288.db2.gz UKLVAJYORWFGII-UHFFFAOYSA-N -1 3 358.463 2.881 20 10 FFCDHM CCOC(=O)N[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824561503 743105426 /nfs/dbraw/zinc/10/54/26/743105426.db2.gz XMPDFTQIEQNILH-ZDUSSCGKSA-N -1 3 357.248 2.865 20 10 FFCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCCOC2)O1 ZINC000825752408 743322768 /nfs/dbraw/zinc/32/27/68/743322768.db2.gz ACXJIEGHAKLIAV-WBMJQRKESA-N -1 3 356.260 2.925 20 10 FFCDHM CCc1nocc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830544642 745378252 /nfs/dbraw/zinc/37/82/52/745378252.db2.gz SDRKSHKNCFCFDJ-CQSZACIVSA-N -1 3 363.845 2.990 20 10 FFCDHM CC(C)[C@@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CC=CC2 ZINC000844100354 747970059 /nfs/dbraw/zinc/97/00/59/747970059.db2.gz VYOMAYHWOWJYGW-INIZCTEOSA-N -1 3 364.467 2.581 20 10 FFCDHM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cccc1Cl ZINC001275837804 1013060911 /nfs/dbraw/zinc/06/09/11/1013060911.db2.gz NNAXVYQYEURYFD-BFUOFWGJSA-N -1 3 364.873 2.980 20 10 FFCDHM O=C(COc1ccccc1CNCc1c([O-])cccc1F)N1CCCC1 ZINC000896640245 971647862 /nfs/dbraw/zinc/64/78/62/971647862.db2.gz HOMOWWIUHFXANM-UHFFFAOYSA-N -1 3 358.413 2.822 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC000890817791 960607200 /nfs/dbraw/zinc/60/72/00/960607200.db2.gz JCBQEPQYDOYTMS-BLVKFPJESA-N -1 3 362.426 2.617 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1[O-] ZINC000177228597 969135000 /nfs/dbraw/zinc/13/50/00/969135000.db2.gz SZGWCUDQZRFEPD-UHFFFAOYSA-N -1 3 373.384 2.964 20 10 FFCDHM COc1c([O-])c(CN2Cc3cnn(C)c3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000828017850 977117893 /nfs/dbraw/zinc/11/78/93/977117893.db2.gz BDILXAUFFBOZNM-UHFFFAOYSA-N -1 3 360.414 2.627 20 10 FFCDHM COc1ccccc1N1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000915788806 988914095 /nfs/dbraw/zinc/91/40/95/988914095.db2.gz JKWKIDUHCYLAQX-AWEZNQCLSA-N -1 3 373.428 2.866 20 10 FFCDHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000180024508 991401370 /nfs/dbraw/zinc/40/13/70/991401370.db2.gz GILIXEAGXMSSAI-XIKOKIGWSA-N -1 3 374.462 2.817 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC[C@]2(CCCO2)C1 ZINC001237778302 992710388 /nfs/dbraw/zinc/71/03/88/992710388.db2.gz WGUVVIZBSNUKGW-CQSZACIVSA-N -1 3 359.207 2.752 20 10 FFCDHM COC(=O)[C@@H]1CC12CCN(Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])CC2 ZINC001598766138 995833850 /nfs/dbraw/zinc/83/38/50/995833850.db2.gz RQGLQGDKGFXCBZ-HNNXBMFYSA-N -1 3 374.412 2.791 20 10 FFCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000824642650 997026658 /nfs/dbraw/zinc/02/66/58/997026658.db2.gz NNPLUIZSFHWPPQ-UHFFFAOYSA-N -1 3 356.422 2.910 20 10 FFCDHM C[C@@H]1[C@H](C)N(C(=O)c2cccc(O)c2[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000844033860 997613849 /nfs/dbraw/zinc/61/38/49/997613849.db2.gz FTUCCNRLONJPKA-XQQFMLRXSA-N -1 3 364.442 2.956 20 10 FFCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCC[C@H](OC)C1 ZINC000844447845 997896212 /nfs/dbraw/zinc/89/62/12/997896212.db2.gz WEPKHIFSHVKIHD-YLQAJVPDSA-N -1 3 367.417 2.570 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000769238325 1000472053 /nfs/dbraw/zinc/47/20/53/1000472053.db2.gz NFHLSFYGZLYUIF-CQSZACIVSA-N -1 3 364.442 2.911 20 10 FFCDHM C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000789987839 1002250027 /nfs/dbraw/zinc/25/00/27/1002250027.db2.gz XQZIXUJICIPCQU-AWEZNQCLSA-N -1 3 358.413 2.974 20 10 FFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000790904971 1002515452 /nfs/dbraw/zinc/51/54/52/1002515452.db2.gz NAVNFLZHRWRXRD-AEFFLSMTSA-N -1 3 366.421 2.796 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)CCC(=O)N3C)ccc1[N+](=O)[O-] ZINC000775052550 1003433438 /nfs/dbraw/zinc/43/34/38/1003433438.db2.gz SLPSPCALQKBHOE-UHFFFAOYSA-N -1 3 357.366 2.830 20 10 FFCDHM COCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc21 ZINC000793913094 1003524827 /nfs/dbraw/zinc/52/48/27/1003524827.db2.gz WZSSZAICXHSVFO-UHFFFAOYSA-N -1 3 356.378 2.542 20 10 FFCDHM C[C@]1(NC(=O)c2cccc(O)c2[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC000794224386 1003585897 /nfs/dbraw/zinc/58/58/97/1003585897.db2.gz TVBYCUQQNOHXKI-FQEVSTJZSA-N -1 3 370.405 2.629 20 10 FFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1O ZINC001196880887 1003986929 /nfs/dbraw/zinc/98/69/29/1003986929.db2.gz SSWDRSKQNQKEAY-UHFFFAOYSA-N -1 3 365.407 2.605 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000805603995 1004055369 /nfs/dbraw/zinc/05/53/69/1004055369.db2.gz ZVMBJRCXFXJWRQ-UHFFFAOYSA-N -1 3 352.394 2.869 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000805603995 1004055378 /nfs/dbraw/zinc/05/53/78/1004055378.db2.gz ZVMBJRCXFXJWRQ-UHFFFAOYSA-N -1 3 352.394 2.869 20 10 FFCDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2O)c1 ZINC001193690872 1004552831 /nfs/dbraw/zinc/55/28/31/1004552831.db2.gz YFISKBDPWBBGOR-LLVKDONJSA-N -1 3 367.398 2.666 20 10 FFCDHM Cc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001198327290 1004579788 /nfs/dbraw/zinc/57/97/88/1004579788.db2.gz HZWPOCFDISEILI-UHFFFAOYSA-N -1 3 363.826 2.776 20 10 FFCDHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)n1-c1ccccn1 ZINC000775914732 1004763836 /nfs/dbraw/zinc/76/38/36/1004763836.db2.gz XONSIGFFFSRYEW-UHFFFAOYSA-N -1 3 364.331 2.556 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1[O-] ZINC000815140571 1006528132 /nfs/dbraw/zinc/52/81/32/1006528132.db2.gz BOLARGAKGLVRHT-LJQANCHMSA-N -1 3 370.424 2.667 20 10 FFCDHM COC(=O)[C@@H](NC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(C)C ZINC001190254461 1007542011 /nfs/dbraw/zinc/54/20/11/1007542011.db2.gz FYSVJAMQMKOJEL-ZDUSSCGKSA-N -1 3 365.817 2.591 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000822656407 1008716422 /nfs/dbraw/zinc/71/64/22/1008716422.db2.gz XZMLWBBTYOVBFA-UHFFFAOYSA-N -1 3 358.413 2.821 20 10 FFCDHM O=S(=O)(CCNCc1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC001177770231 1008741487 /nfs/dbraw/zinc/74/14/87/1008741487.db2.gz XQGJIDHKSJIEEN-UHFFFAOYSA-N -1 3 361.797 2.887 20 10 FFCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001180029638 1009536437 /nfs/dbraw/zinc/53/64/37/1009536437.db2.gz DIQNTBYCADGITD-JTQLQIEISA-N -1 3 356.394 2.511 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](CO)c1ccccc1 ZINC001181927579 1010309193 /nfs/dbraw/zinc/30/91/93/1010309193.db2.gz RNWSHFFWMRRRHG-HNNXBMFYSA-N -1 3 356.809 2.986 20 10 FFCDHM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)ccc1[O-] ZINC001275248882 1012139342 /nfs/dbraw/zinc/13/93/42/1012139342.db2.gz UIENUGLWEPPNCW-DJJJIMSYSA-N -1 3 364.873 2.980 20 10 FFCDHM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)ccc1[O-] ZINC001275248884 1012142926 /nfs/dbraw/zinc/14/29/26/1012142926.db2.gz UIENUGLWEPPNCW-YJYMSZOUSA-N -1 3 364.873 2.980 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1cccc(CN2CCCC2=O)c1 ZINC000929557753 1019507408 /nfs/dbraw/zinc/50/74/08/1019507408.db2.gz LDZHBQAVTODSJW-UHFFFAOYSA-N -1 3 357.385 2.975 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)CC1 ZINC000187400773 1020223147 /nfs/dbraw/zinc/22/31/47/1020223147.db2.gz AKASGLVKEJEHHC-UHFFFAOYSA-N -1 3 370.409 2.695 20 10 FFCDHM COc1ccc(N2CCN(C(=O)c3c([O-])cccc3OC)CC2)cc1F ZINC000900998985 1020777780 /nfs/dbraw/zinc/77/77/80/1020777780.db2.gz QIEOYHZKOPINIU-UHFFFAOYSA-N -1 3 360.385 2.511 20 10 FFCDHM [O-]c1ccc2ccncc2c1CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750010474 1021222708 /nfs/dbraw/zinc/22/27/08/1021222708.db2.gz MDGUTUMNYOIHFL-QGZVFWFLSA-N -1 3 352.394 2.774 20 10 FFCDHM Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c1 ZINC000779019381 1022656585 /nfs/dbraw/zinc/65/65/85/1022656585.db2.gz KZUCQPKIAONAIX-INIZCTEOSA-N -1 3 372.440 2.951 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001137832943 1033166222 /nfs/dbraw/zinc/16/62/22/1033166222.db2.gz NBSITHXHWMMMDH-FQEVSTJZSA-N -1 3 357.429 2.798 20 10 FFCDHM Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2[O-])n(CCO)n1 ZINC000193009792 1024348193 /nfs/dbraw/zinc/34/81/93/1024348193.db2.gz CSQJINFWABJQKP-UHFFFAOYSA-N -1 3 353.378 2.514 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC000837131074 1025600665 /nfs/dbraw/zinc/60/06/65/1025600665.db2.gz OOCZVNGFFVFCOL-GXTWGEPZSA-N -1 3 362.426 2.569 20 10 FFCDHM COc1cc2cc(C(=O)NCc3c([O-])cccc3F)[nH]c2c(OC)c1OC ZINC001156170104 1029074724 /nfs/dbraw/zinc/07/47/24/1029074724.db2.gz GUUFRINMUOFPRJ-UHFFFAOYSA-N -1 3 374.368 2.968 20 10 FFCDHM NC(=O)c1nc(Cl)cnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726301 1029652278 /nfs/dbraw/zinc/65/22/78/1029652278.db2.gz JMNXVDCPIDBVMJ-UHFFFAOYSA-N -1 3 364.192 2.748 20 10 FFCDHM [O-]c1c(CNc2ccnc(N3CCOCC3)n2)cc(Cl)c2cccnc12 ZINC001157726589 1029652341 /nfs/dbraw/zinc/65/23/41/1029652341.db2.gz SGNAJKMXGYYTDJ-UHFFFAOYSA-N -1 3 371.828 2.833 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001142517729 1030568362 /nfs/dbraw/zinc/56/83/62/1030568362.db2.gz YCVHYQCYSLFKME-BEFAXECRSA-N -1 3 362.376 2.878 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1CCO ZINC001203664586 1030814147 /nfs/dbraw/zinc/81/41/47/1030814147.db2.gz LVHZWVRXCWQAAT-HNNXBMFYSA-N -1 3 370.877 2.849 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnn2cccnc12 ZINC001150659858 1031764484 /nfs/dbraw/zinc/76/44/84/1031764484.db2.gz GZQWPMOBHWICKZ-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968049 1033867866 /nfs/dbraw/zinc/86/78/66/1033867866.db2.gz XKHPPFVJJGVXTR-SGTLLEGYSA-N -1 3 370.852 2.787 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H](C[N+](=O)[O-])C3CC3)cccc21 ZINC001226379286 1034658421 /nfs/dbraw/zinc/65/84/21/1034658421.db2.gz BALLHXCUJVEPBL-OAHLLOKOSA-N -1 3 353.330 2.602 20 10 FFCDHM COC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464513 1035484823 /nfs/dbraw/zinc/48/48/23/1035484823.db2.gz SQEDBJSTMCVUQL-GOSISDBHSA-N -1 3 374.868 2.905 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001140465155 1035485153 /nfs/dbraw/zinc/48/51/53/1035485153.db2.gz JSAOBKRPTWGFAX-UHFFFAOYSA-N -1 3 357.845 2.893 20 10 FFCDHM CCOC[C@@H]1Cn2nccc2CN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232265785 1035538614 /nfs/dbraw/zinc/53/86/14/1035538614.db2.gz QIBPLBFUOUEASS-ZDUSSCGKSA-N -1 3 365.861 2.919 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3c([O-])cc(Br)cc3F)CC[C@@H]21 ZINC001233033942 1036274636 /nfs/dbraw/zinc/27/46/36/1036274636.db2.gz YWDAKUXNRVSMOU-HZMBPMFUSA-N -1 3 371.250 2.737 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233077405 1036327652 /nfs/dbraw/zinc/32/76/52/1036327652.db2.gz PAUNRWJBKSNKRE-UHFFFAOYSA-N -1 3 350.413 2.723 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001233334806 1036542162 /nfs/dbraw/zinc/54/21/62/1036542162.db2.gz UNRVPVLPLYZTJI-UHFFFAOYSA-N -1 3 351.397 2.835 20 10 FFCDHM COC(=O)[C@@]1(C)C[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229192759 1036544005 /nfs/dbraw/zinc/54/40/05/1036544005.db2.gz SOPOYOOUCUMLHB-XROVZCQNSA-N -1 3 366.369 2.888 20 10 FFCDHM COC[C@H]1Cn2ccnc2CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452692 1036634696 /nfs/dbraw/zinc/63/46/96/1036634696.db2.gz HGXFEHHWUGSQQU-GFCCVEGCSA-N -1 3 355.360 2.886 20 10 FFCDHM CCOCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388669 1036684722 /nfs/dbraw/zinc/68/47/22/1036684722.db2.gz YZBDUEWQCLYGNG-HZPDHXFCSA-N -1 3 370.852 2.787 20 10 FFCDHM Cc1cc(O[C@@H]2CCOC[C@H]2F)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543022 1036734005 /nfs/dbraw/zinc/73/40/05/1036734005.db2.gz UDICYFLVIJHDPN-UKRRQHHQSA-N -1 3 356.349 2.982 20 10 FFCDHM CC1=C(Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)C(=O)O[C@H]1C ZINC001234746737 1037164540 /nfs/dbraw/zinc/16/45/40/1037164540.db2.gz DMRXFTNOZRUPDD-QMMMGPOBSA-N -1 3 370.313 2.661 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCn4ccnc43)c12 ZINC001234748052 1037164991 /nfs/dbraw/zinc/16/49/91/1037164991.db2.gz ZNPNBDUKGDXSAS-CYBMUJFWSA-N -1 3 366.329 2.783 20 10 FFCDHM O=c1ccc2c([nH]1)CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235067541 1037338002 /nfs/dbraw/zinc/33/80/02/1037338002.db2.gz VSHDFPXCLYWEDP-UHFFFAOYSA-N -1 3 367.218 2.995 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001231449769 1037588602 /nfs/dbraw/zinc/58/86/02/1037588602.db2.gz MXBQSZDXTRDXPU-UHFFFAOYSA-N -1 3 352.390 2.576 20 10 FFCDHM CCOc1cccc(N2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)c1 ZINC001231452176 1037592921 /nfs/dbraw/zinc/59/29/21/1037592921.db2.gz CUNNLKMFSLSCQJ-UHFFFAOYSA-N -1 3 356.422 2.811 20 10 FFCDHM CCOc1cccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)c1 ZINC001231452176 1037592932 /nfs/dbraw/zinc/59/29/32/1037592932.db2.gz CUNNLKMFSLSCQJ-UHFFFAOYSA-N -1 3 356.422 2.811 20 10 FFCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455638 1037597746 /nfs/dbraw/zinc/59/77/46/1037597746.db2.gz SKYLOPYGRLRBEA-DOMZBBRYSA-N -1 3 364.442 2.826 20 10 FFCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455638 1037597755 /nfs/dbraw/zinc/59/77/55/1037597755.db2.gz SKYLOPYGRLRBEA-DOMZBBRYSA-N -1 3 364.442 2.826 20 10 FFCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231565019 1037690260 /nfs/dbraw/zinc/69/02/60/1037690260.db2.gz NPXHHPCQMTZCSJ-CYBMUJFWSA-N -1 3 364.442 2.779 20 10 FFCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231565019 1037690266 /nfs/dbraw/zinc/69/02/66/1037690266.db2.gz NPXHHPCQMTZCSJ-CYBMUJFWSA-N -1 3 364.442 2.779 20 10 FFCDHM COC(=O)[C@H]1C[C@@](O)(C(F)(F)F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231879878 1037975671 /nfs/dbraw/zinc/97/56/71/1037975671.db2.gz UJTPLDUDMWOVFT-PBHICJAKSA-N -1 3 369.339 2.586 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c(Cl)c1 ZINC001236805018 1038279175 /nfs/dbraw/zinc/27/91/75/1038279175.db2.gz DIVAXPNVRTYBFG-CYBMUJFWSA-N -1 3 367.877 2.824 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1c([O-])cc(OC)cc1Br ZINC001237064177 1038429688 /nfs/dbraw/zinc/42/96/88/1038429688.db2.gz DUKSNEMNRTZDGZ-FTGAXOIBSA-N -1 3 370.243 2.689 20 10 FFCDHM COc1cc([O-])c(CN2CCc3c(=O)[nH]ccc3C2)c(Br)c1 ZINC001237069726 1038433803 /nfs/dbraw/zinc/43/38/03/1038433803.db2.gz HWJUXCQBZCGQEX-UHFFFAOYSA-N -1 3 365.227 2.822 20 10 FFCDHM COc1cc([O-])c(CN2CCO[C@H](C(F)(F)F)C2)c(Br)c1 ZINC001237070487 1038434699 /nfs/dbraw/zinc/43/46/99/1038434699.db2.gz NNSUBWCYERUCJC-LBPRGKRZSA-N -1 3 370.165 2.926 20 10 FFCDHM CC[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)C1=O ZINC001276605408 1038617437 /nfs/dbraw/zinc/61/74/37/1038617437.db2.gz HTQREDAWDYRHTG-CQSZACIVSA-N -1 3 360.454 2.703 20 10 FFCDHM CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276606033 1038623375 /nfs/dbraw/zinc/62/33/75/1038623375.db2.gz SVHLLHUSGRVPLI-FQEVSTJZSA-N -1 3 360.454 2.703 20 10 FFCDHM CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276606033 1038623382 /nfs/dbraw/zinc/62/33/82/1038623382.db2.gz SVHLLHUSGRVPLI-FQEVSTJZSA-N -1 3 360.454 2.703 20 10 FFCDHM CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276606034 1038623765 /nfs/dbraw/zinc/62/37/65/1038623765.db2.gz SVHLLHUSGRVPLI-HXUWFJFHSA-N -1 3 360.454 2.703 20 10 FFCDHM CC(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276606034 1038623768 /nfs/dbraw/zinc/62/37/68/1038623768.db2.gz SVHLLHUSGRVPLI-HXUWFJFHSA-N -1 3 360.454 2.703 20 10 FFCDHM COc1cc([O-])c(CN2CC(C(F)F)C2)cc1I ZINC001248477119 1040293274 /nfs/dbraw/zinc/29/32/74/1040293274.db2.gz YYDHMGLFRZCORY-UHFFFAOYSA-N -1 3 369.149 2.702 20 10 FFCDHM CS(=O)(=O)c1cccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1 ZINC001216951249 1042170224 /nfs/dbraw/zinc/17/02/24/1042170224.db2.gz ARDKTRYSIPYITN-UHFFFAOYSA-N -1 3 366.782 2.872 20 10 FFCDHM O=C(NCC(F)F)c1noc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001279983815 1044035606 /nfs/dbraw/zinc/03/56/06/1044035606.db2.gz SDMNALGZWLLAAV-UHFFFAOYSA-N -1 3 371.771 2.587 20 10 FFCDHM O=C([C@H]1CCN(Cc2cc(Cl)ccc2[O-])Cc2ccnn21)N1CC=CC1 ZINC001279983941 1044035949 /nfs/dbraw/zinc/03/59/49/1044035949.db2.gz WJJBGCAVPKMUNK-QGZVFWFLSA-N -1 3 372.856 2.588 20 10 FFCDHM Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001340194116 1050603262 /nfs/dbraw/zinc/60/32/62/1050603262.db2.gz RXNKPOCXCVXQTM-UHFFFAOYSA-N -1 3 360.385 2.882 20 10 FFCDHM CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001338372259 1055456453 /nfs/dbraw/zinc/45/64/53/1055456453.db2.gz OLLOVQBBTATNRA-GFCCVEGCSA-N -1 3 362.405 2.590 20 10 FFCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847400846 1055704934 /nfs/dbraw/zinc/70/49/34/1055704934.db2.gz XZIVZTOHWKGDRG-UHFFFAOYSA-N -1 3 352.438 2.980 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCN(C2CC2)CC1 ZINC001357515708 1055930137 /nfs/dbraw/zinc/93/01/37/1055930137.db2.gz DOJVWCFJWFCRRO-UHFFFAOYSA-N -1 3 370.482 2.565 20 10 FFCDHM CC(C)c1nnc(NC(=O)CCC(=O)NCc2c([O-])cccc2F)s1 ZINC001456028616 1059987885 /nfs/dbraw/zinc/98/78/85/1059987885.db2.gz JRSPLRLBQVRFPP-UHFFFAOYSA-N -1 3 366.418 2.541 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2ccc(OCCO)nc2)c1 ZINC001461797866 1061409286 /nfs/dbraw/zinc/40/92/86/1061409286.db2.gz IUCAUDMXULYIEE-UHFFFAOYSA-N -1 3 353.216 2.841 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001464899368 1062899315 /nfs/dbraw/zinc/89/93/15/1062899315.db2.gz HWQZKNQCQLLGBH-SFHVURJKSA-N -1 3 350.415 2.521 20 10 FFCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)N(C(=O)OC(C)(C)C)C1CC1 ZINC001471976466 1064875761 /nfs/dbraw/zinc/87/57/61/1064875761.db2.gz ZUCFGFHYDXHRQF-NSHDSACASA-N -1 3 352.406 2.936 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC001474559445 1065551283 /nfs/dbraw/zinc/55/12/83/1065551283.db2.gz HMNOADLUNDQQHP-LBPRGKRZSA-N -1 3 350.365 2.771 20 10 FFCDHM C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589836939 1080788796 /nfs/dbraw/zinc/78/87/96/1080788796.db2.gz RAGXAOLYIRHOMB-CHWSQXEVSA-N -1 3 353.426 2.950 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cnn(CC2CCC2)c1 ZINC001589953798 1080900079 /nfs/dbraw/zinc/90/00/79/1080900079.db2.gz VYCSSHGOQGWHHR-OLZOCXBDSA-N -1 3 367.457 2.981 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000049740584 507635391 /nfs/dbraw/zinc/63/53/91/507635391.db2.gz MHHIOWOBBAKFCM-UHFFFAOYSA-N -1 3 372.899 2.717 20 10 FFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC(C)(C)CC1 ZINC000092431835 508070432 /nfs/dbraw/zinc/07/04/32/508070432.db2.gz MXKWPOIZNFFBRC-UHFFFAOYSA-N -1 3 354.472 2.805 20 10 FFCDHM COC(=O)CN(Cc1nccn1C(F)F)Cc1cc(Cl)ccc1[O-] ZINC000111238303 508081165 /nfs/dbraw/zinc/08/11/65/508081165.db2.gz BUYNWIDSKQGMKQ-UHFFFAOYSA-N -1 3 359.760 2.812 20 10 FFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000373640042 512438106 /nfs/dbraw/zinc/43/81/06/512438106.db2.gz PXVBMRGXFYRUTN-BLLLJJGKSA-N -1 3 356.260 2.925 20 10 FFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000373640043 512438173 /nfs/dbraw/zinc/43/81/73/512438173.db2.gz PXVBMRGXFYRUTN-LRDDRELGSA-N -1 3 356.260 2.925 20 10 FFCDHM Cc1nc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccc(Cl)cc2)no1 ZINC000185904219 509415684 /nfs/dbraw/zinc/41/56/84/509415684.db2.gz HDORBMVHEBPGMG-AWEZNQCLSA-N -1 3 359.769 2.962 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)c([O-])c1O ZINC000182951454 509513258 /nfs/dbraw/zinc/51/32/58/509513258.db2.gz XPYIZCXWQVVOSC-UHFFFAOYSA-N -1 3 356.422 2.615 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c1[O-] ZINC000267870629 509651091 /nfs/dbraw/zinc/65/10/91/509651091.db2.gz CKKTYBYVWJUSPS-UHFFFAOYSA-N -1 3 369.458 2.667 20 10 FFCDHM C[C@@H](NCc1nnc2n1CCCC2)c1ccc(Br)cc1[O-] ZINC000183856320 510009719 /nfs/dbraw/zinc/00/97/19/510009719.db2.gz FAMKFYFVERUPHW-SNVBAGLBSA-N -1 3 351.248 2.933 20 10 FFCDHM C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187668814 510377978 /nfs/dbraw/zinc/37/79/78/510377978.db2.gz XKWQMXKNCAMCAR-ZDUSSCGKSA-N -1 3 362.424 2.668 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1scnc1C ZINC000181589382 510487683 /nfs/dbraw/zinc/48/76/83/510487683.db2.gz ZXQRWKMDVICYNT-UHFFFAOYSA-N -1 3 354.815 2.626 20 10 FFCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191370224 510626212 /nfs/dbraw/zinc/62/62/12/510626212.db2.gz GRDOXEKCBBVYAD-INIZCTEOSA-N -1 3 353.825 2.864 20 10 FFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCOC[C@]12CCOC2 ZINC000195016260 510632801 /nfs/dbraw/zinc/63/28/01/510632801.db2.gz ZCRQQZZKHORXIK-OAQYLSRUSA-N -1 3 355.434 2.963 20 10 FFCDHM COC(=O)[C@H](CC(F)(F)F)NCc1cc(Br)ccc1[O-] ZINC000276381435 510934796 /nfs/dbraw/zinc/93/47/96/510934796.db2.gz AQZYYIIOONMTHC-VIFPVBQESA-N -1 3 356.138 2.738 20 10 FFCDHM CC(C)(CO)CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277521261 510964997 /nfs/dbraw/zinc/96/49/97/510964997.db2.gz VENJPEXERLRXOL-UHFFFAOYSA-N -1 3 354.834 2.609 20 10 FFCDHM COc1ccc([C@@H](CCO)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278499446 510995744 /nfs/dbraw/zinc/99/57/44/510995744.db2.gz NKHKWLFFCYHGMG-OAHLLOKOSA-N -1 3 362.382 2.531 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1COc2ccccc21 ZINC000288655902 511082178 /nfs/dbraw/zinc/08/21/78/511082178.db2.gz FUKHEVNPICHLQG-CYBMUJFWSA-N -1 3 372.808 2.986 20 10 FFCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000289192265 511095479 /nfs/dbraw/zinc/09/54/79/511095479.db2.gz WSVVNRIIQBRZDD-GFCCVEGCSA-N -1 3 356.426 2.947 20 10 FFCDHM CO[C@@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000271194638 511115700 /nfs/dbraw/zinc/11/57/00/511115700.db2.gz HFGGLKBXXQDYPX-VIFPVBQESA-N -1 3 356.220 2.877 20 10 FFCDHM COC(=O)CN(Cc1cnc([C@@H](C)O)s1)Cc1cc(Cl)ccc1[O-] ZINC000290188182 511130755 /nfs/dbraw/zinc/13/07/55/511130755.db2.gz ZUIIYALQPXVJMA-SNVBAGLBSA-N -1 3 370.858 2.731 20 10 FFCDHM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c([O-])c1O ZINC000271238349 511132473 /nfs/dbraw/zinc/13/24/73/511132473.db2.gz DDPWVLUAJYYHFP-GFCCVEGCSA-N -1 3 361.419 2.582 20 10 FFCDHM COc1c([O-])c(CN(Cc2cccc(C(N)=O)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000294913978 511219494 /nfs/dbraw/zinc/21/94/94/511219494.db2.gz YGRDFFJYWYMTCG-UHFFFAOYSA-N -1 3 371.393 2.573 20 10 FFCDHM O=C(CCc1ccncn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000365186915 511306878 /nfs/dbraw/zinc/30/68/78/511306878.db2.gz ZDDKJNALCHKZCF-QGZVFWFLSA-N -1 3 374.872 2.549 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000365388630 511420094 /nfs/dbraw/zinc/42/00/94/511420094.db2.gz VRLPPFJWWIJTKB-JKSUJKDBSA-N -1 3 374.824 2.746 20 10 FFCDHM CC[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883858 513032004 /nfs/dbraw/zinc/03/20/04/513032004.db2.gz DLRRXQFJVRKTFW-HZPDHXFCSA-N -1 3 352.862 2.866 20 10 FFCDHM O=C(C[C@@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370809911 513107346 /nfs/dbraw/zinc/10/73/46/513107346.db2.gz KVCVNYCZUFBQNT-BBRMVZONSA-N -1 3 352.862 2.553 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821838926 607283134 /nfs/dbraw/zinc/28/31/34/607283134.db2.gz RIFXYKZAPNKHGU-LLVKDONJSA-N -1 3 368.397 2.772 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821838926 607283135 /nfs/dbraw/zinc/28/31/35/607283135.db2.gz RIFXYKZAPNKHGU-LLVKDONJSA-N -1 3 368.397 2.772 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2sccc2-c2nnn[n-]2)cc1F ZINC000736531781 598556464 /nfs/dbraw/zinc/55/64/64/598556464.db2.gz KYBSQKNYUVBZTR-UHFFFAOYSA-N -1 3 374.445 2.844 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC000736531781 598556466 /nfs/dbraw/zinc/55/64/66/598556466.db2.gz KYBSQKNYUVBZTR-UHFFFAOYSA-N -1 3 374.445 2.844 20 10 FFCDHM Cc1cc(C(=O)Nc2ccnc(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737275177 598617571 /nfs/dbraw/zinc/61/75/71/598617571.db2.gz RYLIIBLHOOKFQR-UHFFFAOYSA-N -1 3 373.420 2.652 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896945 605655111 /nfs/dbraw/zinc/65/51/11/605655111.db2.gz BRYMMHIUTKPBRL-QWRGUYRKSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896945 605655113 /nfs/dbraw/zinc/65/51/13/605655113.db2.gz BRYMMHIUTKPBRL-QWRGUYRKSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000833897904 605992827 /nfs/dbraw/zinc/99/28/27/605992827.db2.gz PGAZCMDTQOEEND-GWCFXTLKSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000833897904 605992830 /nfs/dbraw/zinc/99/28/30/605992830.db2.gz PGAZCMDTQOEEND-GWCFXTLKSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000833897904 605992833 /nfs/dbraw/zinc/99/28/33/605992833.db2.gz PGAZCMDTQOEEND-GWCFXTLKSA-N -1 3 357.248 2.941 20 10 FFCDHM CC(C)(C)c1cnc(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966202 607120354 /nfs/dbraw/zinc/12/03/54/607120354.db2.gz YOFQQXAEFLPKDR-GFCCVEGCSA-N -1 3 374.495 2.939 20 10 FFCDHM CC(C)(C)c1cnc(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966202 607120355 /nfs/dbraw/zinc/12/03/55/607120355.db2.gz YOFQQXAEFLPKDR-GFCCVEGCSA-N -1 3 374.495 2.939 20 10 FFCDHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(C)c1 ZINC000041374267 727939945 /nfs/dbraw/zinc/93/99/45/727939945.db2.gz LSJDHJSDYRHIHW-UHFFFAOYSA-N -1 3 362.451 2.641 20 10 FFCDHM COC(=O)C[C@H]1CSCCN1Cc1cccc(Br)c1[O-] ZINC000093610712 728476715 /nfs/dbraw/zinc/47/67/15/728476715.db2.gz RXOUESDONCPOKT-NSHDSACASA-N -1 3 360.273 2.635 20 10 FFCDHM Cc1nsc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000093663310 728476974 /nfs/dbraw/zinc/47/69/74/728476974.db2.gz XUHZUNXKLUQLJT-UHFFFAOYSA-N -1 3 369.288 2.637 20 10 FFCDHM C[C@H]1CCCCN1C(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000133727271 728727678 /nfs/dbraw/zinc/72/76/78/728727678.db2.gz NBCMIIMJMZBKPS-HNNXBMFYSA-N -1 3 365.905 2.564 20 10 FFCDHM COC(=O)CN(Cc1cnn2ccccc12)Cc1cc(Cl)ccc1[O-] ZINC000179555574 729188744 /nfs/dbraw/zinc/18/87/44/729188744.db2.gz PUISCCIURNBLGC-UHFFFAOYSA-N -1 3 359.813 2.869 20 10 FFCDHM C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000856228379 730318110 /nfs/dbraw/zinc/31/81/10/730318110.db2.gz XURCSZHJSWVEGD-LBPRGKRZSA-N -1 3 354.472 2.710 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2cccnc2)CC1 ZINC000862302376 730686993 /nfs/dbraw/zinc/68/69/93/730686993.db2.gz RNFLKHQOKFYNHR-UHFFFAOYSA-N -1 3 362.271 2.868 20 10 FFCDHM CS(=O)(=O)[C@H]1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862356564 730691308 /nfs/dbraw/zinc/69/13/08/730691308.db2.gz LDKOZXYAHZSXOM-NSHDSACASA-N -1 3 362.289 2.554 20 10 FFCDHM C/C=C/C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000863819201 730810494 /nfs/dbraw/zinc/81/04/94/730810494.db2.gz RTDLAHKMUIBDGD-OOPCZODUSA-N -1 3 352.456 2.582 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNCc2ccnc(N(C)C)n2)c1 ZINC000781637333 738644051 /nfs/dbraw/zinc/64/40/51/738644051.db2.gz CFVCQYGUUOUEGL-UHFFFAOYSA-N -1 3 351.248 2.609 20 10 FFCDHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000734017141 734867754 /nfs/dbraw/zinc/86/77/54/734867754.db2.gz CEYFFHUOZVMHLB-CHWSQXEVSA-N -1 3 354.472 2.710 20 10 FFCDHM O=C1NCCN1CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000897581856 735251505 /nfs/dbraw/zinc/25/15/05/735251505.db2.gz IMKOKZURVQPXNL-UHFFFAOYSA-N -1 3 358.269 2.936 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000928706170 738897596 /nfs/dbraw/zinc/89/75/96/738897596.db2.gz OMCNEUVLLSYKAC-YMAMQOFZSA-N -1 3 351.418 2.902 20 10 FFCDHM CC(C)C(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000768326969 737414026 /nfs/dbraw/zinc/41/40/26/737414026.db2.gz LMUHZPYKHFQGEM-UHFFFAOYSA-N -1 3 355.276 2.891 20 10 FFCDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(SC)cc1 ZINC000776647420 738218708 /nfs/dbraw/zinc/21/87/08/738218708.db2.gz FKXIJLPPHJGFIA-CQSZACIVSA-N -1 3 361.419 2.854 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1[nH]nc(C2CC2)c1Br ZINC000928712323 738898702 /nfs/dbraw/zinc/89/87/02/738898702.db2.gz RFTSORHXAVBRAD-UHFFFAOYSA-N -1 3 354.179 2.824 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1c(F)cncc1F ZINC000929974745 739044354 /nfs/dbraw/zinc/04/43/54/739044354.db2.gz AIPBQIWUFNKJSQ-UHFFFAOYSA-N -1 3 356.756 2.894 20 10 FFCDHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000792178292 739647205 /nfs/dbraw/zinc/64/72/05/739647205.db2.gz AYNZQMMZKVJRML-HNNXBMFYSA-N -1 3 366.211 2.864 20 10 FFCDHM CC(C)C(=O)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824601417 743114389 /nfs/dbraw/zinc/11/43/89/743114389.db2.gz JKRVSTKFQSOSPV-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM c1csc(SCCCNc2nc3ccccn3c2-c2nnn[n-]2)n1 ZINC000826524807 743390639 /nfs/dbraw/zinc/39/06/39/743390639.db2.gz KONONCLLKXVMFH-UHFFFAOYSA-N -1 3 358.456 2.565 20 10 FFCDHM c1csc(SCCCNc2nc3ccccn3c2-c2nn[n-]n2)n1 ZINC000826524807 743390644 /nfs/dbraw/zinc/39/06/44/743390644.db2.gz KONONCLLKXVMFH-UHFFFAOYSA-N -1 3 358.456 2.565 20 10 FFCDHM CC(C)[C@@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CCCC2 ZINC000837189274 746388959 /nfs/dbraw/zinc/38/89/59/746388959.db2.gz DYTFWSJZZZDOET-INIZCTEOSA-N -1 3 366.483 2.805 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)c2c1 ZINC000840147797 747019607 /nfs/dbraw/zinc/01/96/07/747019607.db2.gz YYPGLEMBNWGSCL-PKOBYXMFSA-N -1 3 361.463 2.706 20 10 FFCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000840915293 747223545 /nfs/dbraw/zinc/22/35/45/747223545.db2.gz NYZVJQRKVIJPDR-UHFFFAOYSA-N -1 3 351.424 2.965 20 10 FFCDHM Cn1nccc1[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000842775496 747684324 /nfs/dbraw/zinc/68/43/24/747684324.db2.gz PSZILSJYTHSWDV-HNNXBMFYSA-N -1 3 351.834 2.952 20 10 FFCDHM COc1c([O-])c(CN2CCOc3cc(F)c(F)cc32)ccc1[N+](=O)[O-] ZINC000846122705 748411835 /nfs/dbraw/zinc/41/18/35/748411835.db2.gz LOZZHLADBRGIBT-UHFFFAOYSA-N -1 3 352.293 2.986 20 10 FFCDHM O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000125487893 974487228 /nfs/dbraw/zinc/48/72/28/974487228.db2.gz NPEHIYUFAZFBGO-UHFFFAOYSA-N -1 3 374.824 2.732 20 10 FFCDHM Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)c(N2CCOCC2)c1 ZINC000921385575 991066514 /nfs/dbraw/zinc/06/65/14/991066514.db2.gz XKWGKFFTQWQQTD-UHFFFAOYSA-N -1 3 373.428 2.676 20 10 FFCDHM CC1(C)CN(Cc2cccc(I)c2[O-])CCCO1 ZINC001237781374 992713828 /nfs/dbraw/zinc/71/38/28/992713828.db2.gz VQPSOEHGXXLKNV-UHFFFAOYSA-N -1 3 361.223 2.998 20 10 FFCDHM CN1C(=O)Cc2c1ncnc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527819 993246806 /nfs/dbraw/zinc/24/68/06/993246806.db2.gz LRGMKWBOKCHWLJ-UHFFFAOYSA-N -1 3 355.785 2.515 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3cc(Br)c(F)cc3[O-])CC[C@H]21 ZINC001144308016 998304576 /nfs/dbraw/zinc/30/45/76/998304576.db2.gz GXPLWRJNWRGWBL-QMTHXVAHSA-N -1 3 371.250 2.737 20 10 FFCDHM Cc1cccc([C@H]2CCCN2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1 ZINC000846237158 1000240031 /nfs/dbraw/zinc/24/00/31/1000240031.db2.gz BGGYDRGHYARYJU-MRXNPFEDSA-N -1 3 352.394 2.779 20 10 FFCDHM CCOC(=O)c1c(NC(=O)c2cc(O)c([O-])c(O)c2)sc2c1CCC2 ZINC001148579976 1001174112 /nfs/dbraw/zinc/17/41/12/1001174112.db2.gz DBWWQOSEVLOJBD-UHFFFAOYSA-N -1 3 363.391 2.783 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2)CC1 ZINC000771635733 1001175182 /nfs/dbraw/zinc/17/51/82/1001175182.db2.gz FZIQGFAJALTPHU-UHFFFAOYSA-N -1 3 370.409 2.695 20 10 FFCDHM COc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774820545 1002805921 /nfs/dbraw/zinc/80/59/21/1002805921.db2.gz DDIMQKQFCMVGJB-UHFFFAOYSA-N -1 3 373.409 2.640 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)C(=O)N(C)CC3)ccc1[N+](=O)[O-] ZINC000775048701 1003412791 /nfs/dbraw/zinc/41/27/91/1003412791.db2.gz PHOYALJZTBVHAB-UHFFFAOYSA-N -1 3 357.366 2.549 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1csnc1-c1ccccc1 ZINC001191530060 1003865860 /nfs/dbraw/zinc/86/58/60/1003865860.db2.gz HUYZNMYWWFRTCC-UHFFFAOYSA-N -1 3 362.432 2.700 20 10 FFCDHM C[C@H]1Cc2cc(S(=O)(=O)NCc3c([O-])cccc3F)cc(Cl)c2O1 ZINC001195136773 1004899895 /nfs/dbraw/zinc/89/98/95/1004899895.db2.gz LGJGBTNPPXYXGC-VIFPVBQESA-N -1 3 371.817 2.987 20 10 FFCDHM C[C@H]1CN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2F)C[C@H](C)O1 ZINC000776341404 1005377588 /nfs/dbraw/zinc/37/75/88/1005377588.db2.gz QGGHYPCEVHXZLE-STQMWFEESA-N -1 3 374.412 2.781 20 10 FFCDHM CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000854988375 1007057293 /nfs/dbraw/zinc/05/72/93/1007057293.db2.gz VFTFQZWPXXHZTM-UHFFFAOYSA-N -1 3 371.389 2.506 20 10 FFCDHM COC(=O)c1ccncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001189807236 1007284715 /nfs/dbraw/zinc/28/47/15/1007284715.db2.gz JJBVZFUPCVGOFY-UHFFFAOYSA-N -1 3 371.780 2.705 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1 ZINC000817105686 1007411787 /nfs/dbraw/zinc/41/17/87/1007411787.db2.gz BUQVJEOLAUSXNI-OAHLLOKOSA-N -1 3 374.462 2.784 20 10 FFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000884806276 1007554830 /nfs/dbraw/zinc/55/48/30/1007554830.db2.gz ATAKBBVZOLAKDL-QWHCGFSZSA-N -1 3 364.442 2.721 20 10 FFCDHM COc1ccc(CN2CC[C@@H](N[C@@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886547724 1008731547 /nfs/dbraw/zinc/73/15/47/1008731547.db2.gz QMJOBQWEJZDMRE-SUMWQHHRSA-N -1 3 358.413 2.992 20 10 FFCDHM O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1cc(Cl)ccc1[O-] ZINC001275255002 1012146632 /nfs/dbraw/zinc/14/66/32/1012146632.db2.gz XHEWHTIFIBUCHP-GOSISDBHSA-N -1 3 361.829 2.801 20 10 FFCDHM C[C@@H]1CC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070499 1012239010 /nfs/dbraw/zinc/23/90/10/1012239010.db2.gz XRPGNKRULMOVHG-TZMCWYRMSA-N -1 3 364.442 2.658 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1c1ccccc1 ZINC000923962377 1017077021 /nfs/dbraw/zinc/07/70/21/1017077021.db2.gz ZQKYLXPQTDGWJZ-ACJLOTCBSA-N -1 3 374.462 2.987 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC000927347432 1018481024 /nfs/dbraw/zinc/48/10/24/1018481024.db2.gz CBGUDCJSWKNEKP-CHWSQXEVSA-N -1 3 364.442 2.721 20 10 FFCDHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1O ZINC000827941193 1019059495 /nfs/dbraw/zinc/05/94/95/1019059495.db2.gz OYYYQHKFMCRJJC-CJNGLKHVSA-N -1 3 354.406 2.580 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707345 1019083059 /nfs/dbraw/zinc/08/30/59/1019083059.db2.gz CWCDCJDDUIKYKB-YJYMSZOUSA-N -1 3 364.417 2.795 20 10 FFCDHM Cc1nn(C)c2nc(C)c(CCC(=O)NCc3c([O-])cccc3F)c(C)c12 ZINC000928710005 1019085063 /nfs/dbraw/zinc/08/50/63/1019085063.db2.gz OTNFTHZTNFRKBO-UHFFFAOYSA-N -1 3 370.428 2.987 20 10 FFCDHM COc1cc(CCC(=O)NCc2c([O-])cccc2F)cc(OC)c1OC ZINC000928710935 1019086112 /nfs/dbraw/zinc/08/61/12/1019086112.db2.gz YFPKCNDPTQKIMR-UHFFFAOYSA-N -1 3 363.385 2.806 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001118726712 1022369764 /nfs/dbraw/zinc/36/97/64/1022369764.db2.gz GFABOHPMYRWHFU-SNVBAGLBSA-N -1 3 353.300 2.884 20 10 FFCDHM COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1cc(F)ccc1[O-] ZINC000779000720 1022629556 /nfs/dbraw/zinc/62/95/56/1022629556.db2.gz YIAFWELNOVLPRE-UHFFFAOYSA-N -1 3 363.385 2.724 20 10 FFCDHM CC(C)(C)OC(=O)NCCCCNC(=O)NCc1c([O-])cccc1F ZINC001119614091 1022895672 /nfs/dbraw/zinc/89/56/72/1022895672.db2.gz SRXXEYVVKDGGHV-UHFFFAOYSA-N -1 3 355.410 2.635 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCCC1 ZINC001153923624 1028070481 /nfs/dbraw/zinc/07/04/81/1028070481.db2.gz DXCYEGNBDGPIAY-GFCCVEGCSA-N -1 3 354.472 2.852 20 10 FFCDHM O=C(c1noc2c1CN(Cc1cc(Cl)ccc1[O-])CC2)N1CCCC1 ZINC001203658334 1030807578 /nfs/dbraw/zinc/80/75/78/1030807578.db2.gz RXMXZWBWOQJEJR-UHFFFAOYSA-N -1 3 361.829 2.828 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC000830572234 1033688078 /nfs/dbraw/zinc/68/80/78/1033688078.db2.gz XVOCOTVSEFTDTE-UONOGXRCSA-N -1 3 362.426 2.712 20 10 FFCDHM COCCCN1CC[C@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967122 1033861970 /nfs/dbraw/zinc/86/19/70/1033861970.db2.gz DHILDKKRWOSSPV-GOSISDBHSA-N -1 3 370.852 2.788 20 10 FFCDHM COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(F)c1F ZINC001277096871 1034512511 /nfs/dbraw/zinc/51/25/11/1034512511.db2.gz CSJCIPRZPYENKL-HUUCEWRRSA-N -1 3 368.424 2.661 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(F)c2F)N1CC(F)(F)F ZINC001277098996 1034528249 /nfs/dbraw/zinc/52/82/49/1034528249.db2.gz XMESPGNXPRMZRW-VXGBXAGGSA-N -1 3 364.314 2.798 20 10 FFCDHM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001139682139 1035197020 /nfs/dbraw/zinc/19/70/20/1035197020.db2.gz PXVIGHVXRVFKTO-YJYMSZOUSA-N -1 3 362.376 2.593 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC001140341906 1035445065 /nfs/dbraw/zinc/44/50/65/1035445065.db2.gz JZHNYROALWVFJW-LBPRGKRZSA-N -1 3 356.850 2.771 20 10 FFCDHM O=C(c1noc2c1CN(Cc1c([O-])cccc1Cl)CC2)N1CCCC1 ZINC001140345309 1035446752 /nfs/dbraw/zinc/44/67/52/1035446752.db2.gz RHICNMTZKCHQCT-UHFFFAOYSA-N -1 3 361.829 2.828 20 10 FFCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nnn(CC)c21 ZINC001140466524 1035485430 /nfs/dbraw/zinc/48/54/30/1035485430.db2.gz FHQSEERIBIBGAY-ZDUSSCGKSA-N -1 3 350.850 2.793 20 10 FFCDHM CCOC[C@H]1Cn2nccc2CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259588 1035531567 /nfs/dbraw/zinc/53/15/67/1035531567.db2.gz FTHNXMAPQJUCRR-GFCCVEGCSA-N -1 3 351.834 2.616 20 10 FFCDHM COC[C@@H]1Cn2ccnc2CN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232265935 1035537444 /nfs/dbraw/zinc/53/74/44/1035537444.db2.gz CBXKGNIDETZCFT-LBPRGKRZSA-N -1 3 351.834 2.529 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)cc1Cl ZINC001232266426 1035538502 /nfs/dbraw/zinc/53/85/02/1035538502.db2.gz OBXXXTXOGOJSIX-OLZOCXBDSA-N -1 3 357.731 2.891 20 10 FFCDHM O=C1N(Cc2ncccn2)CC[C@@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277231492 1035670149 /nfs/dbraw/zinc/67/01/49/1035670149.db2.gz CLRIZWXOISMAKG-IBGZPJMESA-N -1 3 372.856 2.603 20 10 FFCDHM CC(=O)N1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227938611 1035822113 /nfs/dbraw/zinc/82/21/13/1035822113.db2.gz XDMWQVGEJGTLIV-OAHLLOKOSA-N -1 3 355.390 2.719 20 10 FFCDHM CN1CC[C@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228186016 1035980783 /nfs/dbraw/zinc/98/07/83/1035980783.db2.gz NAJDDRYHIOSWSQ-GUYCJALGSA-N -1 3 371.389 2.593 20 10 FFCDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(I)cc1[O-] ZINC001232975876 1036207083 /nfs/dbraw/zinc/20/70/83/1036207083.db2.gz LLFKXCMMWCVCEM-TXEJJXNPSA-N -1 3 357.191 2.693 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001232976140 1036211759 /nfs/dbraw/zinc/21/17/59/1036211759.db2.gz ORQDOPPRKZJIRX-XHDPSFHLSA-N -1 3 373.234 2.998 20 10 FFCDHM CC(C)[C@@H]1CN(Cc2ccc(I)cc2[O-])CCO1 ZINC001232980811 1036215055 /nfs/dbraw/zinc/21/50/55/1036215055.db2.gz WVFPZNPLWQGBRY-AWEZNQCLSA-N -1 3 361.223 2.854 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333927 1036541144 /nfs/dbraw/zinc/54/11/44/1036541144.db2.gz MWGZNRATEJVLLP-UHFFFAOYSA-N -1 3 350.413 2.723 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001233334111 1036541726 /nfs/dbraw/zinc/54/17/26/1036541726.db2.gz VFLUAIWWPYLZLL-DJJJIMSYSA-N -1 3 362.376 2.878 20 10 FFCDHM COc1ccnc(OC2CCN(Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233336540 1036544432 /nfs/dbraw/zinc/54/44/32/1036544432.db2.gz PDUZZWBCLWSDNA-UHFFFAOYSA-N -1 3 351.353 2.512 20 10 FFCDHM [O-]c1c(CN2CCCN(c3ncccn3)CC2)cccc1C(F)(F)F ZINC001233418619 1036611882 /nfs/dbraw/zinc/61/18/82/1036611882.db2.gz OQXZSUJYFNZQGR-UHFFFAOYSA-N -1 3 352.360 2.913 20 10 FFCDHM O=C(c1cccnc1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233455081 1036633992 /nfs/dbraw/zinc/63/39/92/1036633992.db2.gz VEMTVKNMHAIJLP-UHFFFAOYSA-N -1 3 365.355 2.764 20 10 FFCDHM CCOC(=O)c1cnc2n1CCN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233454987 1036634272 /nfs/dbraw/zinc/63/42/72/1036634272.db2.gz RDHOIWNAMGZVKP-UHFFFAOYSA-N -1 3 369.343 2.800 20 10 FFCDHM O=C1C[C@]2(CN1C1COC1)CCCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388689 1036684450 /nfs/dbraw/zinc/68/44/50/1036684450.db2.gz ZQMLGFSATGSYRV-SFHVURJKSA-N -1 3 368.836 2.541 20 10 FFCDHM COc1c(O[C@@H](C)CN(C)C)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234129781 1036931622 /nfs/dbraw/zinc/93/16/22/1036931622.db2.gz KHCXXVCNBZYFJT-LBPRGKRZSA-N -1 3 369.417 2.814 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC(N2CC(F)C2)CC1 ZINC001235304177 1037463454 /nfs/dbraw/zinc/46/34/54/1037463454.db2.gz TVYNVDUOWHOGMR-UHFFFAOYSA-N -1 3 361.230 2.912 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001231450907 1037588223 /nfs/dbraw/zinc/58/82/23/1037588223.db2.gz UKILLNCZQKXCBX-FXAWDEMLSA-N -1 3 361.438 2.641 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001231450907 1037588229 /nfs/dbraw/zinc/58/82/29/1037588229.db2.gz UKILLNCZQKXCBX-FXAWDEMLSA-N -1 3 361.438 2.641 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(C(=O)[O-])cc1O)[C@H]2C ZINC001231449758 1037588677 /nfs/dbraw/zinc/58/86/77/1037588677.db2.gz KJRWXCPEHJMMRF-AWEZNQCLSA-N -1 3 372.469 2.704 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(n3c(=O)oc4ccccc43)CC2)c([O-])c1 ZINC001231452081 1037590655 /nfs/dbraw/zinc/59/06/55/1037590655.db2.gz CZSZMXXCNRCXPQ-UHFFFAOYSA-N -1 3 368.389 2.835 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452021 1037590992 /nfs/dbraw/zinc/59/09/92/1037590992.db2.gz ATQFLYVDOIQVKM-AWEZNQCLSA-N -1 3 350.415 2.580 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452021 1037591001 /nfs/dbraw/zinc/59/10/01/1037591001.db2.gz ATQFLYVDOIQVKM-AWEZNQCLSA-N -1 3 350.415 2.580 20 10 FFCDHM CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231451070 1037592314 /nfs/dbraw/zinc/59/23/14/1037592314.db2.gz KSXYINSPJMWVAO-KRWDZBQOSA-N -1 3 363.454 2.746 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c([O-])c1 ZINC001231453324 1037593981 /nfs/dbraw/zinc/59/39/81/1037593981.db2.gz LDFURHVYNDEXKP-QGZVFWFLSA-N -1 3 366.417 2.711 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c([O-])c1 ZINC001231453324 1037593993 /nfs/dbraw/zinc/59/39/93/1037593993.db2.gz LDFURHVYNDEXKP-QGZVFWFLSA-N -1 3 366.417 2.711 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c([O-])c1 ZINC001231452905 1037594686 /nfs/dbraw/zinc/59/46/86/1037594686.db2.gz WPHXUBHSTBIZAI-UHFFFAOYSA-N -1 3 353.374 2.752 20 10 FFCDHM COC(=O)C1([C@]2(O)CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)CCC1 ZINC001207669948 1037643720 /nfs/dbraw/zinc/64/37/20/1037643720.db2.gz QGFJAJIDXXENPI-SFHVURJKSA-N -1 3 371.836 2.855 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001207699843 1037665270 /nfs/dbraw/zinc/66/52/70/1037665270.db2.gz IZWSARRRKCFVDO-SFHVURJKSA-N -1 3 370.877 2.897 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@]23CCN(C)C3=O)c1 ZINC001277540380 1037718000 /nfs/dbraw/zinc/71/80/00/1037718000.db2.gz KWTFOXFAYLDVEH-MRXNPFEDSA-N -1 3 353.260 2.660 20 10 FFCDHM CC(=O)N1CCC2(CC1)CN(Cc1cc(Cl)c(C)cc1[O-])CCO2 ZINC001231867160 1037961930 /nfs/dbraw/zinc/96/19/30/1037961930.db2.gz LXSLYPMADHJUAG-UHFFFAOYSA-N -1 3 352.862 2.567 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001231869741 1037966267 /nfs/dbraw/zinc/96/62/67/1037966267.db2.gz XKUDXIWHALRIQT-ZIAGYGMSSA-N -1 3 370.877 2.814 20 10 FFCDHM [O-]c1c(Cl)cccc1CN1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001231910930 1038009504 /nfs/dbraw/zinc/00/95/04/1038009504.db2.gz ZPSZYABMWVBLME-CGTJXYLNSA-N -1 3 360.841 2.857 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c(Cl)c1 ZINC001236806500 1038281837 /nfs/dbraw/zinc/28/18/37/1038281837.db2.gz XJIQFLLJDCBBQH-CYBMUJFWSA-N -1 3 352.862 2.935 20 10 FFCDHM CCNC(=O)CO[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084228 1038439840 /nfs/dbraw/zinc/43/98/40/1038439840.db2.gz IJBPNESKZQPHBZ-NSHDSACASA-N -1 3 361.269 2.816 20 10 FFCDHM CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001276605451 1038618730 /nfs/dbraw/zinc/61/87/30/1038618730.db2.gz IWRJRVGZPSFUPT-XJKSGUPXSA-N -1 3 360.454 2.607 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605680 1038621087 /nfs/dbraw/zinc/62/10/87/1038621087.db2.gz NKVYAYVNEGSLAE-VBKZILBWSA-N -1 3 360.454 2.846 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605680 1038621088 /nfs/dbraw/zinc/62/10/88/1038621088.db2.gz NKVYAYVNEGSLAE-VBKZILBWSA-N -1 3 360.454 2.846 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001254190214 1040607238 /nfs/dbraw/zinc/60/72/38/1040607238.db2.gz MUDIMGJJEGVRII-CQSZACIVSA-N -1 3 364.442 2.660 20 10 FFCDHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001262110061 1041563579 /nfs/dbraw/zinc/56/35/79/1041563579.db2.gz PJIXFEOOTBIENW-NSHDSACASA-N -1 3 350.369 2.732 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c([O-])c1 ZINC001279260931 1042971809 /nfs/dbraw/zinc/97/18/09/1042971809.db2.gz HUUQASZVSWRYCZ-DZGCQCFKSA-N -1 3 372.387 2.939 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c([O-])c1 ZINC001279260931 1042971812 /nfs/dbraw/zinc/97/18/12/1042971812.db2.gz HUUQASZVSWRYCZ-DZGCQCFKSA-N -1 3 372.387 2.939 20 10 FFCDHM CCCNC(=O)COC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237624197 1043279987 /nfs/dbraw/zinc/27/99/87/1043279987.db2.gz OPYYKZXMYVXJFE-UHFFFAOYSA-N -1 3 358.841 2.692 20 10 FFCDHM COC(=O)CC[C@H]1COCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237685197 1043311755 /nfs/dbraw/zinc/31/17/55/1043311755.db2.gz OWUNPBJOAATWCR-ZDUSSCGKSA-N -1 3 372.259 2.617 20 10 FFCDHM O=C(c1ccco1)N1C[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]2C1 ZINC001237800385 1043365810 /nfs/dbraw/zinc/36/58/10/1043365810.db2.gz NUCXIPQSJCELAM-BETUJISGSA-N -1 3 364.804 2.982 20 10 FFCDHM COc1ccnc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)c1 ZINC001237939929 1043446711 /nfs/dbraw/zinc/44/67/11/1043446711.db2.gz HYYHQKDRAKMLMV-UHFFFAOYSA-N -1 3 351.809 2.911 20 10 FFCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001279684284 1043463716 /nfs/dbraw/zinc/46/37/16/1043463716.db2.gz PGMPRCDUQWPRCH-RDJZCZTQSA-N -1 3 365.836 2.598 20 10 FFCDHM CC[C@H](CNC(=O)NCc1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC001312733630 1044162977 /nfs/dbraw/zinc/16/29/77/1044162977.db2.gz RIVCCGBPAUZCJK-LLVKDONJSA-N -1 3 355.410 2.634 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)C[C@H]1CCOC1 ZINC001340215170 1050622078 /nfs/dbraw/zinc/62/20/78/1050622078.db2.gz JVCSNDCDDSDYJA-LLVKDONJSA-N -1 3 359.455 2.753 20 10 FFCDHM CC(C)NS(=O)(=O)c1cccc(CNCc2cc(F)c(F)cc2[O-])c1 ZINC001308812374 1052503019 /nfs/dbraw/zinc/50/30/19/1052503019.db2.gz VDSWKDDONWFIPQ-UHFFFAOYSA-N -1 3 370.421 2.647 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC001338511242 1055581141 /nfs/dbraw/zinc/58/11/41/1055581141.db2.gz BIRQVVKTVDAGKD-UHFFFAOYSA-N -1 3 372.396 2.680 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1Cl ZINC001350619999 1055867064 /nfs/dbraw/zinc/86/70/64/1055867064.db2.gz NWDRUCUAEDOIOS-UHFFFAOYSA-N -1 3 362.817 2.979 20 10 FFCDHM CCc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC001445881324 1058453212 /nfs/dbraw/zinc/45/32/12/1058453212.db2.gz ITGAXMWZHPOHDZ-CQSZACIVSA-N -1 3 363.845 2.990 20 10 FFCDHM COc1c([O-])c(CNc2ccc([C@@H](C)CC(N)=O)cc2)ccc1[N+](=O)[O-] ZINC001462602408 1061686779 /nfs/dbraw/zinc/68/67/79/1061686779.db2.gz HOHPMWKUVPXYTG-NSHDSACASA-N -1 3 359.382 2.900 20 10 FFCDHM CN(C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC001471587189 1064724231 /nfs/dbraw/zinc/72/42/31/1064724231.db2.gz NHIIUMDWLUBMAN-CYBMUJFWSA-N -1 3 364.442 2.959 20 10 FFCDHM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474510529 1065540528 /nfs/dbraw/zinc/54/05/28/1065540528.db2.gz KPXQGPYAZZUERB-UONOGXRCSA-N -1 3 370.396 2.540 20 10 FFCDHM Cc1cc([O-])c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC001560951662 1076312483 /nfs/dbraw/zinc/31/24/83/1076312483.db2.gz OWBQESKIVFXQMR-LSDHHAIUSA-N -1 3 359.857 2.704 20 10 FFCDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C)nn2)c(C)n1-c1ccccc1 ZINC001561819770 1076428296 /nfs/dbraw/zinc/42/82/96/1076428296.db2.gz IZHJZTFYVGWMJB-UHFFFAOYSA-N -1 3 356.451 2.671 20 10 FFCDHM CCOC(=O)C[C@@H](CNC(=O)NCc1c([O-])cccc1F)CC(C)C ZINC001565030074 1076679449 /nfs/dbraw/zinc/67/94/49/1076679449.db2.gz OKMIMFPOFBJKCW-ZDUSSCGKSA-N -1 3 354.422 2.946 20 10 FFCDHM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(O)c1[O-] ZINC001587737606 1079853271 /nfs/dbraw/zinc/85/32/71/1079853271.db2.gz JDNDVJJXYKBJNN-UHFFFAOYSA-N -1 3 355.394 2.524 20 10 FFCDHM C[C@@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589938578 1080883000 /nfs/dbraw/zinc/88/30/00/1080883000.db2.gz LGIOFDDGSLDWCE-SNVBAGLBSA-N -1 3 357.443 2.877 20 10 FFCDHM C[C@@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589938578 1080883004 /nfs/dbraw/zinc/88/30/04/1080883004.db2.gz LGIOFDDGSLDWCE-SNVBAGLBSA-N -1 3 357.443 2.877 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953352 1080899846 /nfs/dbraw/zinc/89/98/46/1080899846.db2.gz FNPXASHEQRHILA-CHWSQXEVSA-N -1 3 368.416 2.641 20 10 FFCDHM C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589958462 1080903459 /nfs/dbraw/zinc/90/34/59/1080903459.db2.gz YTVCBVQILMKTKL-OCCSQVGLSA-N -1 3 368.416 2.641 20 10 FFCDHM C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962156 1080905745 /nfs/dbraw/zinc/90/57/45/1080905745.db2.gz HCLBWWGDNUVMRP-CWSCBRNRSA-N -1 3 371.363 2.723 20 10 FFCDHM C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963336 1080906761 /nfs/dbraw/zinc/90/67/61/1080906761.db2.gz WHKQUMLNWXHJRX-OPQQBVKSSA-N -1 3 371.363 2.723 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)OC1CCOCC1 ZINC000377639386 512371429 /nfs/dbraw/zinc/37/14/29/512371429.db2.gz CTSRNHWPXPAVJB-OAHLLOKOSA-N -1 3 368.861 2.915 20 10 FFCDHM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)Cc1ccccc1[O-] ZINC000111236452 508081008 /nfs/dbraw/zinc/08/10/08/508081008.db2.gz FVGZGZDCUYTGRL-HNNXBMFYSA-N -1 3 367.449 2.978 20 10 FFCDHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092762138 508100248 /nfs/dbraw/zinc/10/02/48/508100248.db2.gz BPVQQLJFEHATBJ-IUODEOHRSA-N -1 3 354.472 2.805 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(C2)CCCCC3)c1 ZINC000076482042 508212377 /nfs/dbraw/zinc/21/23/77/508212377.db2.gz ZHDOFXPNPHHZMS-UHFFFAOYSA-N -1 3 352.456 2.560 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188667193 509201834 /nfs/dbraw/zinc/20/18/34/509201834.db2.gz DYWHCQKCTHHFGY-UHFFFAOYSA-N -1 3 362.352 2.724 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1O ZINC000179393741 509418999 /nfs/dbraw/zinc/41/89/99/509418999.db2.gz GNOLFVBUDICJID-CYBMUJFWSA-N -1 3 352.394 2.820 20 10 FFCDHM COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000186049987 509499488 /nfs/dbraw/zinc/49/94/88/509499488.db2.gz BFVBUADTESFAMO-SCLBCKFNSA-N -1 3 358.413 2.992 20 10 FFCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2cccnc2)no1 ZINC000193003240 509732524 /nfs/dbraw/zinc/73/25/24/509732524.db2.gz CAGNAZHBJAYLEJ-CQSZACIVSA-N -1 3 354.366 2.670 20 10 FFCDHM C[C@H](NCc1nnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000183852005 510006378 /nfs/dbraw/zinc/00/63/78/510006378.db2.gz LFUXTTAJTXHLRN-JTQLQIEISA-N -1 3 351.248 2.933 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000187082264 510045882 /nfs/dbraw/zinc/04/58/82/510045882.db2.gz FUMGOXMMCIXFFD-UHFFFAOYSA-N -1 3 369.446 2.666 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cccn(C)c1=O ZINC000266492097 510620587 /nfs/dbraw/zinc/62/05/87/510620587.db2.gz BUXGKNDDNMBULZ-UHFFFAOYSA-N -1 3 365.227 2.516 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccnnc1C ZINC000269968602 510622671 /nfs/dbraw/zinc/62/26/71/510622671.db2.gz KBOHMHLGDKCSSX-UHFFFAOYSA-N -1 3 350.216 2.915 20 10 FFCDHM COc1c([O-])c(CN[C@H]2COc3cc(F)cc(F)c32)ccc1[N+](=O)[O-] ZINC000364469708 510883679 /nfs/dbraw/zinc/88/36/79/510883679.db2.gz YSDOEOQTMSRXKR-NSHDSACASA-N -1 3 352.293 2.811 20 10 FFCDHM CCOC(=O)CC[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277292794 510959332 /nfs/dbraw/zinc/95/93/32/510959332.db2.gz URUIRCIWCBLVLT-NSHDSACASA-N -1 3 368.817 2.542 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC[C@H]1CCCCO1 ZINC000277524978 510964900 /nfs/dbraw/zinc/96/49/00/510964900.db2.gz XFDPXVWTOASDEQ-CQSZACIVSA-N -1 3 352.818 2.769 20 10 FFCDHM CO[C@@H]1[C@H](C)[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277920170 510976084 /nfs/dbraw/zinc/97/60/84/510976084.db2.gz JGGORXNYQPYIAR-UHNFBRDESA-N -1 3 366.845 2.869 20 10 FFCDHM COc1c([O-])c(CN[C@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473366 510993659 /nfs/dbraw/zinc/99/36/59/510993659.db2.gz HVTIPNOYBITLOG-DLUDVSRJSA-N -1 3 364.423 2.518 20 10 FFCDHM COc1c([O-])c(CN2CCC(O)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278517183 510995995 /nfs/dbraw/zinc/99/59/95/510995995.db2.gz QZVQSOQNHJGPJA-UHFFFAOYSA-N -1 3 358.394 2.793 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000288535222 511079728 /nfs/dbraw/zinc/07/97/28/511079728.db2.gz KLPOQWCQFSRATL-LRDDRELGSA-N -1 3 350.758 2.538 20 10 FFCDHM CCOc1ccc(NCc2cc(F)ccc2[O-])cc1S(=O)(=O)N(C)C ZINC000289105781 511093382 /nfs/dbraw/zinc/09/33/82/511093382.db2.gz CMLDYSLHFSTOFE-UHFFFAOYSA-N -1 3 368.430 2.792 20 10 FFCDHM CS(=O)(=O)[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000282754342 511097995 /nfs/dbraw/zinc/09/79/95/511097995.db2.gz OKBSADYIPUSZGN-GOSISDBHSA-N -1 3 361.463 2.590 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(c3nnc4n3CCC4)CC2)c1[O-] ZINC000363143630 511379944 /nfs/dbraw/zinc/37/99/44/511379944.db2.gz GUBVMUQXBNNUIH-UHFFFAOYSA-N -1 3 358.417 2.651 20 10 FFCDHM Cc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c([O-])c1O ZINC000292179327 511496000 /nfs/dbraw/zinc/49/60/00/511496000.db2.gz FGJHHAUJPFTLCR-GFCCVEGCSA-N -1 3 356.426 2.872 20 10 FFCDHM C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454182 511526054 /nfs/dbraw/zinc/52/60/54/511526054.db2.gz GTRQYOLDWDGMNW-SKDRFNHKSA-N -1 3 361.320 2.504 20 10 FFCDHM CCNC(=O)COc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273499739 511529248 /nfs/dbraw/zinc/52/92/48/511529248.db2.gz PWQHHDCCQYTIFY-CYBMUJFWSA-N -1 3 372.421 2.867 20 10 FFCDHM O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280757614 511590755 /nfs/dbraw/zinc/59/07/55/511590755.db2.gz XSPUOQKDDYTVMK-UHFFFAOYSA-N -1 3 358.369 2.728 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c([O-])c1O ZINC000273735628 511591065 /nfs/dbraw/zinc/59/10/65/511591065.db2.gz QEPMOGNPMIQMDO-UHFFFAOYSA-N -1 3 368.389 2.698 20 10 FFCDHM Cc1nnsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364339757 512092758 /nfs/dbraw/zinc/09/27/58/512092758.db2.gz PLFDYJSDUCPAKF-CYBMUJFWSA-N -1 3 366.874 2.600 20 10 FFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000376009289 512614235 /nfs/dbraw/zinc/61/42/35/512614235.db2.gz WNBTYBGXBRXQSF-MEDUHNTESA-N -1 3 372.259 2.543 20 10 FFCDHM Cc1cc(C(=O)N(C)c2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227366 598910228 /nfs/dbraw/zinc/91/02/28/598910228.db2.gz KEHCSVYUUXLSQA-UHFFFAOYSA-N -1 3 373.420 2.946 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737270559 599064621 /nfs/dbraw/zinc/06/46/21/599064621.db2.gz MNYCHOCWNXTZLN-UHFFFAOYSA-N -1 3 353.386 2.761 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737270559 599064624 /nfs/dbraw/zinc/06/46/24/599064624.db2.gz MNYCHOCWNXTZLN-UHFFFAOYSA-N -1 3 353.386 2.761 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736479817 598423138 /nfs/dbraw/zinc/42/31/38/598423138.db2.gz IRMVVWIEJCSWBY-UHFFFAOYSA-N -1 3 365.437 2.944 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736479817 598423139 /nfs/dbraw/zinc/42/31/39/598423139.db2.gz IRMVVWIEJCSWBY-UHFFFAOYSA-N -1 3 365.437 2.944 20 10 FFCDHM c1ccn2c(c1)nc(NCc1ccc(N3CCCC3)cc1)c2-c1nnn[n-]1 ZINC000738445703 598567168 /nfs/dbraw/zinc/56/71/68/598567168.db2.gz LDRHIUHYTCORJU-UHFFFAOYSA-N -1 3 360.425 2.727 20 10 FFCDHM c1ccn2c(c1)nc(NCc1ccc(N3CCCC3)cc1)c2-c1nn[n-]n1 ZINC000738445703 598567169 /nfs/dbraw/zinc/56/71/69/598567169.db2.gz LDRHIUHYTCORJU-UHFFFAOYSA-N -1 3 360.425 2.727 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825434843 607673231 /nfs/dbraw/zinc/67/32/31/607673231.db2.gz HEJQGDVHLGZBML-UHFFFAOYSA-N -1 3 364.453 2.903 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825434843 607673232 /nfs/dbraw/zinc/67/32/32/607673232.db2.gz HEJQGDVHLGZBML-UHFFFAOYSA-N -1 3 364.453 2.903 20 10 FFCDHM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480399 604316024 /nfs/dbraw/zinc/31/60/24/604316024.db2.gz XINYOODOOQRCDO-STQMWFEESA-N -1 3 353.850 2.580 20 10 FFCDHM c1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(N2CCCC2)cc1 ZINC000823742188 606617406 /nfs/dbraw/zinc/61/74/06/606617406.db2.gz AGLDOJAEKVZFMF-UHFFFAOYSA-N -1 3 351.410 2.925 20 10 FFCDHM C[C@@H]1CN=C(N2CCN(Cc3cc(Br)ccc3[O-])CC2)S1 ZINC000093662812 728476654 /nfs/dbraw/zinc/47/66/54/728476654.db2.gz GGZIWTKISWLTHB-LLVKDONJSA-N -1 3 370.316 2.764 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC000105619596 728507424 /nfs/dbraw/zinc/50/74/24/728507424.db2.gz SDQGKNRLEQKPFQ-UHFFFAOYSA-N -1 3 362.348 2.788 20 10 FFCDHM O=C(CN1CCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCCCCC1 ZINC000121672613 728635062 /nfs/dbraw/zinc/63/50/62/728635062.db2.gz HTQUKNNRWSLAIE-UHFFFAOYSA-N -1 3 365.905 2.566 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000177241941 729132491 /nfs/dbraw/zinc/13/24/91/729132491.db2.gz WCWHLNFDYWTRTO-UHFFFAOYSA-N -1 3 352.406 2.787 20 10 FFCDHM COCCOc1ncccc1CNCc1c([O-])cccc1Br ZINC000858098668 730416496 /nfs/dbraw/zinc/41/64/96/730416496.db2.gz CMAVDXPWNYLPJL-UHFFFAOYSA-N -1 3 367.243 2.865 20 10 FFCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876642870 732264577 /nfs/dbraw/zinc/26/45/77/732264577.db2.gz OFEWXBILFJEAAD-JTQLQIEISA-N -1 3 356.394 2.511 20 10 FFCDHM COC(=O)COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000780987832 738592252 /nfs/dbraw/zinc/59/22/52/738592252.db2.gz ZIJFGZLYZCUHRL-UHFFFAOYSA-N -1 3 365.769 2.864 20 10 FFCDHM CCOc1ccc(OCC)c(NC(=S)NN=c2nc(OC)cc[n-]2)c1 ZINC000726896961 734451870 /nfs/dbraw/zinc/45/18/70/734451870.db2.gz GTAZQFACPRWQLY-UHFFFAOYSA-N -1 3 363.443 2.596 20 10 FFCDHM O=C1CCCN1C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895334609 734992262 /nfs/dbraw/zinc/99/22/62/734992262.db2.gz JWLWVMREICPQNZ-LLVKDONJSA-N -1 3 371.250 2.738 20 10 FFCDHM O=C1N[C@@H](C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)CO1 ZINC000897019202 735192143 /nfs/dbraw/zinc/19/21/43/735192143.db2.gz LQRKUAIXOGGZPY-CYBMUJFWSA-N -1 3 373.222 2.614 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756536716 736339838 /nfs/dbraw/zinc/33/98/38/736339838.db2.gz SZNZRMSZQAGPIL-MNOVXSKESA-N -1 3 370.421 2.990 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCN(Cc2cscn2)CC1 ZINC000769019800 737486501 /nfs/dbraw/zinc/48/65/01/737486501.db2.gz GSQCMQZMVAGJHP-UHFFFAOYSA-N -1 3 368.300 2.929 20 10 FFCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])Cc2ccccc21 ZINC000769614944 737546732 /nfs/dbraw/zinc/54/67/32/737546732.db2.gz MJMCWLVWBTUYIG-LBPRGKRZSA-N -1 3 360.435 2.523 20 10 FFCDHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773090597 737870529 /nfs/dbraw/zinc/87/05/29/737870529.db2.gz YSLACSZCHDJJST-LLVKDONJSA-N -1 3 368.480 2.640 20 10 FFCDHM COC(=O)CCNC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000775178505 738069967 /nfs/dbraw/zinc/06/99/67/738069967.db2.gz UFGARHDEGSHXTM-UHFFFAOYSA-N -1 3 362.813 2.951 20 10 FFCDHM CC(C)[C@H](C(=O)NCc1c([O-])cccc1F)S(=O)(=O)C1CCCCC1 ZINC000928711780 738898545 /nfs/dbraw/zinc/89/85/45/738898545.db2.gz LCVOZQSZVGRSCZ-QGZVFWFLSA-N -1 3 371.474 2.920 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000931864920 739343157 /nfs/dbraw/zinc/34/31/57/739343157.db2.gz CTBMSZXTGYYXRA-RNCFNFMXSA-N -1 3 350.312 2.831 20 10 FFCDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000793364252 739773847 /nfs/dbraw/zinc/77/38/47/739773847.db2.gz BCDQLFUTWYZGET-MRXNPFEDSA-N -1 3 356.260 2.925 20 10 FFCDHM CCOCCCNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816486901 742033631 /nfs/dbraw/zinc/03/36/31/742033631.db2.gz WYLQMJYJCDTSPY-UHFFFAOYSA-N -1 3 372.868 2.940 20 10 FFCDHM CCOC(=O)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824649964 743122605 /nfs/dbraw/zinc/12/26/05/743122605.db2.gz KLVFXTJATYUQDQ-UHFFFAOYSA-N -1 3 357.248 2.819 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCN(Cc2ccncc2)CC1 ZINC000825450658 743273154 /nfs/dbraw/zinc/27/31/54/743273154.db2.gz KERKAEZYZMGWIN-UHFFFAOYSA-N -1 3 362.271 2.868 20 10 FFCDHM C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849717 744989766 /nfs/dbraw/zinc/98/97/66/744989766.db2.gz JAAHMZRYQARYGX-SKDRFNHKSA-N -1 3 350.768 2.935 20 10 FFCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843432771 747835310 /nfs/dbraw/zinc/83/53/10/747835310.db2.gz PPVWQAOTQNHHJG-CYBMUJFWSA-N -1 3 354.731 2.685 20 10 FFCDHM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843432772 747835543 /nfs/dbraw/zinc/83/55/43/747835543.db2.gz PPVWQAOTQNHHJG-ZDUSSCGKSA-N -1 3 354.731 2.685 20 10 FFCDHM COc1ccc(Cl)c(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000846292451 748452016 /nfs/dbraw/zinc/45/20/16/748452016.db2.gz BVQXCUUUOUIEBR-UHFFFAOYSA-N -1 3 362.813 2.722 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c([O-])cccc3Cl)C[C@@]2(F)C1=O ZINC001275837017 1013057799 /nfs/dbraw/zinc/05/77/99/1013057799.db2.gz KRJZGOFIXBHBLC-ZTFRIQLXSA-N -1 3 358.816 2.919 20 10 FFCDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588298 1013088983 /nfs/dbraw/zinc/08/89/83/1013088983.db2.gz ZQSSCEYTFCTMIS-OAHLLOKOSA-N -1 3 353.382 2.976 20 10 FFCDHM CCn1ccnc1CN1C[C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])[C@@H]2C1 ZINC001279107639 962715492 /nfs/dbraw/zinc/71/54/92/962715492.db2.gz OGOFOBPETFXEKB-SUMWQHHRSA-N -1 3 362.424 2.593 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001271434041 972993553 /nfs/dbraw/zinc/99/35/53/972993553.db2.gz QXFYEJKLEQQSJK-HXUWFJFHSA-N -1 3 358.438 2.638 20 10 FFCDHM CN(Cc1cc(F)c(F)cc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001142509010 982464664 /nfs/dbraw/zinc/46/46/64/982464664.db2.gz SWTWIQROPUBCHA-CYBMUJFWSA-N -1 3 372.412 2.738 20 10 FFCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142530388 982612301 /nfs/dbraw/zinc/61/23/01/982612301.db2.gz GVSZUCNUFFMYRA-OAHLLOKOSA-N -1 3 362.376 2.813 20 10 FFCDHM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921621281 985478768 /nfs/dbraw/zinc/47/87/68/985478768.db2.gz MJLJLUXCILCCQN-BBRMVZONSA-N -1 3 365.449 2.614 20 10 FFCDHM COC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])nnc1OC ZINC001168521933 989995477 /nfs/dbraw/zinc/99/54/77/989995477.db2.gz LPJTWWIGXXYSJD-UHFFFAOYSA-N -1 3 374.784 2.791 20 10 FFCDHM COc1c([O-])c(CN2C[C@H](C)C(=O)N(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000809786363 994613125 /nfs/dbraw/zinc/61/31/25/994613125.db2.gz ZGJRKLOGMZEVAD-LBPRGKRZSA-N -1 3 371.393 2.928 20 10 FFCDHM C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593298809 994717106 /nfs/dbraw/zinc/71/71/06/994717106.db2.gz MWHPTAFRMFWBEA-INIZCTEOSA-N -1 3 370.449 2.837 20 10 FFCDHM Cc1cccc(C2(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CCC2)c1 ZINC000844006194 997602947 /nfs/dbraw/zinc/60/29/47/997602947.db2.gz CKUGJXPKKOSLEE-UHFFFAOYSA-N -1 3 374.462 2.881 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](Oc2cnccn2)C1 ZINC001144308032 998304902 /nfs/dbraw/zinc/30/49/02/998304902.db2.gz HPCVUIILMRMVGN-LLVKDONJSA-N -1 3 368.206 2.737 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCc2ccccc21 ZINC000846514775 1000338534 /nfs/dbraw/zinc/33/85/34/1000338534.db2.gz WOEQHCUYPPJSDJ-CYBMUJFWSA-N -1 3 374.462 2.566 20 10 FFCDHM C[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCc2ccccc21 ZINC000769749674 1000597818 /nfs/dbraw/zinc/59/78/18/1000597818.db2.gz XRUYTKKHXDOADH-LJQANCHMSA-N -1 3 374.462 2.745 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001232975393 1036204635 /nfs/dbraw/zinc/20/46/35/1036204635.db2.gz BTOSUTDCUQZHQP-YGRLFVJLSA-N -1 3 359.207 2.608 20 10 FFCDHM Cc1cc(C)c(N2CC[C@H](NC(=O)c3cccc(O)c3[O-])C2=O)c(C)c1 ZINC000789894282 1002228662 /nfs/dbraw/zinc/22/86/62/1002228662.db2.gz HDTOZXGRJSIGRH-HNNXBMFYSA-N -1 3 354.406 2.558 20 10 FFCDHM COc1ccc(C)cc1C1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000790576434 1002435302 /nfs/dbraw/zinc/43/53/02/1002435302.db2.gz IPYCGERPNHZISG-UHFFFAOYSA-N -1 3 371.433 2.893 20 10 FFCDHM C[C@@H]1CN(Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2)C[C@H](C)O1 ZINC000790755997 1002472470 /nfs/dbraw/zinc/47/24/70/1002472470.db2.gz NUVAJKJEBWHALS-OKILXGFUSA-N -1 3 356.422 2.959 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cnc(Cl)nc1 ZINC001185058879 1002787619 /nfs/dbraw/zinc/78/76/19/1002787619.db2.gz IGTNREXGYVHMSC-UHFFFAOYSA-N -1 3 366.874 2.599 20 10 FFCDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)ccc2O1 ZINC000106007342 1005219822 /nfs/dbraw/zinc/21/98/22/1005219822.db2.gz CTPVWFQMYUVLPZ-CQSZACIVSA-N -1 3 374.462 2.647 20 10 FFCDHM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000862529893 1009864269 /nfs/dbraw/zinc/86/42/69/1009864269.db2.gz REZTXJLLCIKBCB-IRXDYDNUSA-N -1 3 374.462 2.686 20 10 FFCDHM COc1cccc([C@@H](O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000863739398 1010313232 /nfs/dbraw/zinc/31/32/32/1010313232.db2.gz KSUJDGVIIHXAIK-SFHVURJKSA-N -1 3 357.406 2.692 20 10 FFCDHM Cc1cccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)n1 ZINC001217056234 1032599409 /nfs/dbraw/zinc/59/94/09/1032599409.db2.gz ICKJJVVVIIBNRB-UHFFFAOYSA-N -1 3 352.394 2.645 20 10 FFCDHM CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000828427742 1032699022 /nfs/dbraw/zinc/69/90/22/1032699022.db2.gz DIDJRKUJZMZTEO-OAHLLOKOSA-N -1 3 358.413 2.974 20 10 FFCDHM COCCOc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1OC ZINC000929562810 1019511261 /nfs/dbraw/zinc/51/12/61/1019511261.db2.gz QESRUEAXWMKMBY-UHFFFAOYSA-N -1 3 364.373 2.887 20 10 FFCDHM COCCCNC(=O)CN(C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000726962454 1020559095 /nfs/dbraw/zinc/55/90/95/1020559095.db2.gz XXBRWXSJPPILQY-UHFFFAOYSA-N -1 3 356.422 2.876 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CCCC[NH2+]C3)c1C2=O ZINC001217970978 1032926103 /nfs/dbraw/zinc/92/61/03/1032926103.db2.gz RIQUZJNHDBYWEM-ZDUSSCGKSA-N -1 3 367.401 2.703 20 10 FFCDHM O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000752993868 1023246088 /nfs/dbraw/zinc/24/60/88/1023246088.db2.gz CQYADQXBYRCAAG-AWEZNQCLSA-N -1 3 362.426 2.761 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nncn2-c2ccccc2)c1 ZINC000756403158 1023705114 /nfs/dbraw/zinc/70/51/14/1023705114.db2.gz OPPFRIUNKZZKBG-ZDUSSCGKSA-N -1 3 352.394 2.610 20 10 FFCDHM COc1ccccc1N1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000756742802 1023751966 /nfs/dbraw/zinc/75/19/66/1023751966.db2.gz OUNZNDYOWOXNTC-WFASDCNBSA-N -1 3 371.393 2.765 20 10 FFCDHM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)ccc1O ZINC000758161961 1023944903 /nfs/dbraw/zinc/94/49/03/1023944903.db2.gz BIVYXSNRHNEYRG-UHFFFAOYSA-N -1 3 372.446 2.727 20 10 FFCDHM Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000837707535 1025974032 /nfs/dbraw/zinc/97/40/32/1025974032.db2.gz CUZYEUCYILZQCX-UHFFFAOYSA-N -1 3 362.376 2.745 20 10 FFCDHM COCCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(OC)c(OC)c1 ZINC000838895793 1026527709 /nfs/dbraw/zinc/52/77/09/1026527709.db2.gz SQWAXOZKGTVIPE-UHFFFAOYSA-N -1 3 359.426 2.730 20 10 FFCDHM COc1ccccc1CCNC(=O)CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000798002127 1031280509 /nfs/dbraw/zinc/28/05/09/1031280509.db2.gz YDOOHTYUOCQTDJ-GFCCVEGCSA-N -1 3 364.392 2.689 20 10 FFCDHM NC(=O)[C@@H](NCc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC001205262467 1031635947 /nfs/dbraw/zinc/63/59/47/1031635947.db2.gz URLJDNPYKXEFCW-AWEZNQCLSA-N -1 3 353.191 2.610 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2nncn2c1 ZINC001151675108 1032008176 /nfs/dbraw/zinc/00/81/76/1032008176.db2.gz CTZRYXVGLGLKIC-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM O=C(Nc1ccc(O[C@@H]2CCNCC2(F)F)cc1)c1cccc(O)c1[O-] ZINC001219461075 1033656441 /nfs/dbraw/zinc/65/64/41/1033656441.db2.gz FXWCRVVRQCSESU-OAHLLOKOSA-N -1 3 364.348 2.726 20 10 FFCDHM CCCOC(=O)[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380388 1034659387 /nfs/dbraw/zinc/65/93/87/1034659387.db2.gz SISQPHRWGXETTF-NSHDSACASA-N -1 3 354.358 2.888 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2cccnc2)CC1 ZINC001139126599 1034956841 /nfs/dbraw/zinc/95/68/41/1034956841.db2.gz LUPCDBLIWZNISN-UHFFFAOYSA-N -1 3 351.406 2.524 20 10 FFCDHM CCOC(=O)c1nc2c(s1)CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681077 1035196182 /nfs/dbraw/zinc/19/61/82/1035196182.db2.gz HTBQOPSORODZDS-UHFFFAOYSA-N -1 3 368.405 2.904 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001140464911 1035485095 /nfs/dbraw/zinc/48/50/95/1035485095.db2.gz DPNFNOUJIQCODM-CQSZACIVSA-N -1 3 357.845 2.771 20 10 FFCDHM CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2[O-])CC1)c1ccccc1 ZINC001140466078 1035485475 /nfs/dbraw/zinc/48/54/75/1035485475.db2.gz WKJWSMYQZXNGQT-UHFFFAOYSA-N -1 3 373.884 2.826 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](OC)C[C@H]2C)c1 ZINC001233309485 1036514435 /nfs/dbraw/zinc/51/44/35/1036514435.db2.gz LKANGEKDXBPXPU-ZWNOBZJWSA-N -1 3 372.259 2.941 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452556 1037591433 /nfs/dbraw/zinc/59/14/33/1037591433.db2.gz BZGFFTXAYMOJKB-IBGZPJMESA-N -1 3 364.442 2.827 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452556 1037591448 /nfs/dbraw/zinc/59/14/48/1037591448.db2.gz BZGFFTXAYMOJKB-IBGZPJMESA-N -1 3 364.442 2.827 20 10 FFCDHM CCOC[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236795403 1038275227 /nfs/dbraw/zinc/27/52/27/1038275227.db2.gz KNFPJRGABWZXCF-CYBMUJFWSA-N -1 3 365.861 2.924 20 10 FFCDHM COc1ccc(CN2CC[C@H](Oc3ncc(F)cn3)C2)c([O-])c1Cl ZINC001236808684 1038280959 /nfs/dbraw/zinc/28/09/59/1038280959.db2.gz ICKNQAIPEINOHD-LBPRGKRZSA-N -1 3 353.781 2.637 20 10 FFCDHM Cc1cc([O-])c(CN2CCN[C@@H](C(F)(F)F)C2)cc1Br ZINC001236997346 1038402750 /nfs/dbraw/zinc/40/27/50/1038402750.db2.gz UITLZSXGGQSJQL-GFCCVEGCSA-N -1 3 353.182 2.799 20 10 FFCDHM Cc1noc(C[C@@H]2C[C@H]3CN(Cc4c([O-])ccc(F)c4Cl)C[C@H]3O2)n1 ZINC001237121147 1038449644 /nfs/dbraw/zinc/44/96/44/1038449644.db2.gz KIKROEMPYDQXMM-ZIBATOQPSA-N -1 3 367.808 2.708 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@H]2CF)cc1I ZINC001248477037 1040293602 /nfs/dbraw/zinc/29/36/02/1040293602.db2.gz WUYADGVECWWNER-SNVBAGLBSA-N -1 3 365.186 2.939 20 10 FFCDHM Cc1cc(CN2CC[C@](O)(CF)[C@@H](F)C2)c([O-])cc1Br ZINC001250120596 1041120742 /nfs/dbraw/zinc/12/07/42/1041120742.db2.gz KBMCQOULRVRLFA-KBPBESRZSA-N -1 3 350.203 2.708 20 10 FFCDHM COc1ccc(Br)c(-c2noc(-c3cccc(O)c3[O-])n2)n1 ZINC001215146016 1041678744 /nfs/dbraw/zinc/67/87/44/1041678744.db2.gz XAERGEYRGQAOOU-UHFFFAOYSA-N -1 3 364.155 2.981 20 10 FFCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC001215145791 1041679070 /nfs/dbraw/zinc/67/90/70/1041679070.db2.gz JJJFZKFUHGCFNG-UHFFFAOYSA-N -1 3 353.378 2.647 20 10 FFCDHM Cc1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)c(C)cc2[O-])n(C)n1 ZINC001279433408 1043107582 /nfs/dbraw/zinc/10/75/82/1043107582.db2.gz SWGBWXDZDDKXJJ-CALCHBBNSA-N -1 3 360.889 2.855 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCC2(CCO2)CC1 ZINC001237778828 1043353368 /nfs/dbraw/zinc/35/33/68/1043353368.db2.gz BXRZXAPTQFQOGS-UHFFFAOYSA-N -1 3 359.207 2.752 20 10 FFCDHM O=C(C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)N1CCC(=O)CC1 ZINC001237937716 1043443928 /nfs/dbraw/zinc/44/39/28/1043443928.db2.gz UGEAARXLUARUMA-UHFFFAOYSA-N -1 3 368.836 2.588 20 10 FFCDHM CC(C)(C)NC(=O)[C@@H]1CCC2(CN(Cc3cc(Cl)ccc3[O-])C2)O1 ZINC001279981954 1044032041 /nfs/dbraw/zinc/03/20/41/1044032041.db2.gz JXSIGBANKBDHKA-HNNXBMFYSA-N -1 3 352.862 2.694 20 10 FFCDHM O=C(N1CC(F)(C2CC2)C1)[C@]12C[C@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001279983437 1044033344 /nfs/dbraw/zinc/03/33/44/1044033344.db2.gz KUPXKMUPBWBXKR-KUHUBIRLSA-N -1 3 364.848 2.971 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001340987854 1051322801 /nfs/dbraw/zinc/32/28/01/1051322801.db2.gz XHEZBYLXRAVRRY-NEPJUHHUSA-N -1 3 359.455 2.894 20 10 FFCDHM COc1ccc(-c2cc(C(=O)NCc3c([O-])cccc3F)[nH]n2)c(OC)c1 ZINC001303878696 1051465548 /nfs/dbraw/zinc/46/55/48/1051465548.db2.gz RCGUROFERIGFQH-UHFFFAOYSA-N -1 3 371.368 2.869 20 10 FFCDHM CCc1ccc2c(c1)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC001305982013 1051984780 /nfs/dbraw/zinc/98/47/80/1051984780.db2.gz VVWIJRXBFQWGTQ-UHFFFAOYSA-N -1 3 374.462 2.525 20 10 FFCDHM COc1cc(C)c(NC(=O)C(=O)NCc2c([O-])cccc2F)c(C)c1C ZINC001337064981 1054452240 /nfs/dbraw/zinc/45/22/40/1054452240.db2.gz SIWRXBXIACRMTM-UHFFFAOYSA-N -1 3 360.385 2.720 20 10 FFCDHM COCCN(C)c1nnc(-c2sc3ncccc3c2[O-])n1CC1CC1 ZINC001348260735 1054582442 /nfs/dbraw/zinc/58/24/42/1054582442.db2.gz NBHKIXPOEHVIQL-UHFFFAOYSA-N -1 3 359.455 2.753 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001456027099 1059988363 /nfs/dbraw/zinc/98/83/63/1059988363.db2.gz CSBFBVOLZBYRDH-CQSZACIVSA-N -1 3 352.406 2.937 20 10 FFCDHM COc1cc(N)c(C(=O)NCc2c([O-])cccc2F)cc1Br ZINC001456031010 1059990776 /nfs/dbraw/zinc/99/07/76/1059990776.db2.gz VPHKJSCPJYGEFY-UHFFFAOYSA-N -1 3 369.190 2.815 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1c2ncsc2ccc1Cl ZINC001463911147 1062329281 /nfs/dbraw/zinc/32/92/81/1062329281.db2.gz JHTAMLPSDIQJDY-UHFFFAOYSA-N -1 3 370.839 2.839 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001464899367 1062900227 /nfs/dbraw/zinc/90/02/27/1062900227.db2.gz HWQZKNQCQLLGBH-GOSISDBHSA-N -1 3 350.415 2.521 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(CN2CCOC2=O)cc1 ZINC001465337849 1063055108 /nfs/dbraw/zinc/05/51/08/1063055108.db2.gz DXIIOKBOGVNTFE-UHFFFAOYSA-N -1 3 359.357 2.805 20 10 FFCDHM Nc1c(NC(=O)NCc2c([O-])cccc2F)cc(Cl)cc1[N+](=O)[O-] ZINC001467083716 1063632126 /nfs/dbraw/zinc/63/21/26/1063632126.db2.gz KODOFCJZYDPXRP-UHFFFAOYSA-N -1 3 354.725 2.997 20 10 FFCDHM Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc(-c2nnn[n-]2)c1 ZINC001580983526 1078902862 /nfs/dbraw/zinc/90/28/62/1078902862.db2.gz NANGVMCSPYNSDU-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc(-c2nn[n-]n2)c1 ZINC001580983526 1078902867 /nfs/dbraw/zinc/90/28/67/1078902867.db2.gz NANGVMCSPYNSDU-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM COC(=O)[C@@]1(NC(=O)c2cccc(O)c2[O-])CC[C@H](C)c2ccccc21 ZINC001558815337 1076081578 /nfs/dbraw/zinc/08/15/78/1076081578.db2.gz JMAFPOPVABSYBU-FKIZINRSSA-N -1 3 355.390 2.793 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(OC(F)F)c(F)c1 ZINC001561946846 1076451216 /nfs/dbraw/zinc/45/12/16/1076451216.db2.gz AVYCYSNBPGVZCG-UHFFFAOYSA-N -1 3 365.304 2.750 20 10 FFCDHM C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962158 1080905779 /nfs/dbraw/zinc/90/57/79/1080905779.db2.gz HCLBWWGDNUVMRP-KWBADKCTSA-N -1 3 371.363 2.723 20 10 FFCDHM C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965884 1080908761 /nfs/dbraw/zinc/90/87/61/1080908761.db2.gz RIEVAIVAWVYBTC-KBMXLJTQSA-N -1 3 365.437 2.796 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973614 1080914201 /nfs/dbraw/zinc/91/42/01/1080914201.db2.gz ILFBUIRTUQSEDJ-RWMBFGLXSA-N -1 3 373.457 2.733 20 10 FFCDHM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1=CCN(C)CC1 ZINC000277314528 510961025 /nfs/dbraw/zinc/96/10/25/510961025.db2.gz CZGHSKXROPKORP-LLVKDONJSA-N -1 3 368.275 2.604 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCn1ccnc1 ZINC000080660159 508092121 /nfs/dbraw/zinc/09/21/21/508092121.db2.gz MHRUASPVQRIEED-UHFFFAOYSA-N -1 3 367.247 2.583 20 10 FFCDHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092706151 508096490 /nfs/dbraw/zinc/09/64/90/508096490.db2.gz UBNOLJHQFCGQSS-LBPRGKRZSA-N -1 3 369.849 2.938 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000093910694 508160740 /nfs/dbraw/zinc/16/07/40/508160740.db2.gz DOBZUANUKBGYDA-INIZCTEOSA-N -1 3 374.462 2.611 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c([O-])c1O ZINC000267567437 509545666 /nfs/dbraw/zinc/54/56/66/509545666.db2.gz HROVBXOKQJDHOB-UHFFFAOYSA-N -1 3 369.421 2.833 20 10 FFCDHM Cc1ccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1O ZINC000267604874 509561816 /nfs/dbraw/zinc/56/18/16/509561816.db2.gz QFBHUFBIAMCAGW-UHFFFAOYSA-N -1 3 350.415 2.536 20 10 FFCDHM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(O)c1[O-] ZINC000192899583 509690296 /nfs/dbraw/zinc/69/02/96/509690296.db2.gz ZQKIXOCVVHILQN-UHFFFAOYSA-N -1 3 354.406 2.654 20 10 FFCDHM C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193000312 509732422 /nfs/dbraw/zinc/73/24/22/509732422.db2.gz HKOYKTGJEXYKOE-XPTSAGLGSA-N -1 3 369.252 2.889 20 10 FFCDHM CCOCCO[C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175843930 510819831 /nfs/dbraw/zinc/81/98/31/510819831.db2.gz CVFPMAHLIIXGTD-LBPRGKRZSA-N -1 3 374.275 2.945 20 10 FFCDHM COc1c([O-])c(CN[C@@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000282288784 510916522 /nfs/dbraw/zinc/91/65/22/510916522.db2.gz LNNSRRBHCURCRK-LJQANCHMSA-N -1 3 358.394 2.623 20 10 FFCDHM C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276907086 510950079 /nfs/dbraw/zinc/95/00/79/510950079.db2.gz OGTXLPTWSLGSIX-YVEFUNNKSA-N -1 3 373.384 2.891 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294245086 511003922 /nfs/dbraw/zinc/00/39/22/511003922.db2.gz NAVIFHDMTPJDGR-SNVBAGLBSA-N -1 3 372.849 2.944 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1cc2n(n1)CCCC2 ZINC000285829326 511014932 /nfs/dbraw/zinc/01/49/32/511014932.db2.gz AODYNNOPERWJPU-UHFFFAOYSA-N -1 3 360.801 2.547 20 10 FFCDHM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)C(F)(F)F ZINC000291696013 511301872 /nfs/dbraw/zinc/30/18/72/511301872.db2.gz YNAHCVULDVPSDU-JTQLQIEISA-N -1 3 350.768 2.936 20 10 FFCDHM O=C([N-]C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)C(F)(F)F ZINC000291696013 511301875 /nfs/dbraw/zinc/30/18/75/511301875.db2.gz YNAHCVULDVPSDU-JTQLQIEISA-N -1 3 350.768 2.936 20 10 FFCDHM COCCCNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295241051 511333794 /nfs/dbraw/zinc/33/37/94/511333794.db2.gz DWZZBIBLPDDUSE-UHFFFAOYSA-N -1 3 358.841 2.549 20 10 FFCDHM COC(=O)c1nc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])sc1C ZINC000280214765 511377943 /nfs/dbraw/zinc/37/79/43/511377943.db2.gz WVAWEYRSOSZCMF-LLVKDONJSA-N -1 3 362.407 2.627 20 10 FFCDHM COCCC[C@@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272249387 511479446 /nfs/dbraw/zinc/47/94/46/511479446.db2.gz ZCSWXLPUISYDGC-GFCCVEGCSA-N -1 3 357.834 2.610 20 10 FFCDHM C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273608695 511550595 /nfs/dbraw/zinc/55/05/95/511550595.db2.gz VBUGLCMXRKSQFG-GFCCVEGCSA-N -1 3 364.423 2.696 20 10 FFCDHM CNC(=O)COc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c(C)c1 ZINC000281207929 511759331 /nfs/dbraw/zinc/75/93/31/511759331.db2.gz SLIWRGBRMNNJOY-ZDUSSCGKSA-N -1 3 372.421 2.785 20 10 FFCDHM CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274760502 511933261 /nfs/dbraw/zinc/93/32/61/511933261.db2.gz JZLGBJWKBALNIA-KBPBESRZSA-N -1 3 354.248 2.663 20 10 FFCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507058 511990564 /nfs/dbraw/zinc/99/05/64/511990564.db2.gz AJDZZNBRXLPZEA-MEDUHNTESA-N -1 3 353.825 2.864 20 10 FFCDHM COc1cccc(C(=O)NC2CCN(Cc3cccc(F)c3[O-])CC2)c1 ZINC000359996791 512061670 /nfs/dbraw/zinc/06/16/70/512061670.db2.gz RVIOSYGPRFLJFJ-UHFFFAOYSA-N -1 3 358.413 2.934 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737269338 599014776 /nfs/dbraw/zinc/01/47/76/599014776.db2.gz DKSMGHBXKIWOGA-UHFFFAOYSA-N -1 3 367.482 2.728 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737269338 599014778 /nfs/dbraw/zinc/01/47/78/599014778.db2.gz DKSMGHBXKIWOGA-UHFFFAOYSA-N -1 3 367.482 2.728 20 10 FFCDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1c(O)ccc2c1CCCC2 ZINC000823629916 599062821 /nfs/dbraw/zinc/06/28/21/599062821.db2.gz LUKDEKIYSALVRF-UHFFFAOYSA-N -1 3 366.381 2.971 20 10 FFCDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1c(O)ccc2c1CCCC2 ZINC000823629916 599062823 /nfs/dbraw/zinc/06/28/23/599062823.db2.gz LUKDEKIYSALVRF-UHFFFAOYSA-N -1 3 366.381 2.971 20 10 FFCDHM Cc1cc(C(=O)Nc2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238576 598609810 /nfs/dbraw/zinc/60/98/10/598609810.db2.gz PMEHMOQDQNGXTF-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235021 598610624 /nfs/dbraw/zinc/61/06/24/598610624.db2.gz QCOAUBPAWWUDFS-NHYWBVRUSA-N -1 3 350.426 2.660 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821838884 606347908 /nfs/dbraw/zinc/34/79/08/606347908.db2.gz QXYACUUURQNWGJ-VIFPVBQESA-N -1 3 372.360 2.603 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821838884 606347909 /nfs/dbraw/zinc/34/79/09/606347909.db2.gz QXYACUUURQNWGJ-VIFPVBQESA-N -1 3 372.360 2.603 20 10 FFCDHM Cc1cc(C(=O)NC2CC(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167896 606578264 /nfs/dbraw/zinc/57/82/64/606578264.db2.gz JUPXPLALFVFPEF-UHFFFAOYSA-N -1 3 350.426 2.803 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000822215197 607227685 /nfs/dbraw/zinc/22/76/85/607227685.db2.gz PUSWGIVYVPJIMO-UHFFFAOYSA-N -1 3 367.482 2.735 20 10 FFCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000822215197 607227686 /nfs/dbraw/zinc/22/76/86/607227686.db2.gz PUSWGIVYVPJIMO-UHFFFAOYSA-N -1 3 367.482 2.735 20 10 FFCDHM O=C(C=Cc1ccc(Cl)nc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399615 607996167 /nfs/dbraw/zinc/99/61/67/607996167.db2.gz ALYNJIULKMAGFD-QHHAFSJGSA-N -1 3 352.785 2.518 20 10 FFCDHM O=C(C=Cc1ccc(Cl)nc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399615 607996168 /nfs/dbraw/zinc/99/61/68/607996168.db2.gz ALYNJIULKMAGFD-QHHAFSJGSA-N -1 3 352.785 2.518 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000120864688 728616351 /nfs/dbraw/zinc/61/63/51/728616351.db2.gz TYQOFILQUZVZDJ-UHFFFAOYSA-N -1 3 356.804 2.955 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000862357220 730691187 /nfs/dbraw/zinc/69/11/87/730691187.db2.gz PZYKDTYATMWZNX-UHFFFAOYSA-N -1 3 352.203 2.997 20 10 FFCDHM CS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862356561 730691248 /nfs/dbraw/zinc/69/12/48/730691248.db2.gz LDKOZXYAHZSXOM-LLVKDONJSA-N -1 3 362.289 2.554 20 10 FFCDHM COc1ccc(CN(CCO)Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000894020323 734787523 /nfs/dbraw/zinc/78/75/23/734787523.db2.gz IQBKWDZZROVEFG-UHFFFAOYSA-N -1 3 353.365 2.682 20 10 FFCDHM NC(=O)CCC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894041919 734791921 /nfs/dbraw/zinc/79/19/21/734791921.db2.gz HMUKKUVZFVGMHP-UHFFFAOYSA-N -1 3 359.239 2.771 20 10 FFCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H](Cn2ccnn2)C1 ZINC000895228163 734976311 /nfs/dbraw/zinc/97/63/11/734976311.db2.gz JFBRSUALRVTPBK-JTQLQIEISA-N -1 3 371.666 2.922 20 10 FFCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(N2CCOCC2)nc1 ZINC000790950719 739518252 /nfs/dbraw/zinc/51/82/52/739518252.db2.gz SLEXLCYWZVRCDK-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@H]2CCCC[C@H]21 ZINC000769411785 737525736 /nfs/dbraw/zinc/52/57/36/737525736.db2.gz KYKVNUVDSKRPBB-DZGCQCFKSA-N -1 3 374.300 2.696 20 10 FFCDHM CN(CC(=O)NCc1cccs1)Cc1cc(Br)ccc1[O-] ZINC000769428290 737529179 /nfs/dbraw/zinc/52/91/79/737529179.db2.gz QBNOTVXIXHAYII-UHFFFAOYSA-N -1 3 369.284 2.964 20 10 FFCDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773084863 737869746 /nfs/dbraw/zinc/86/97/46/737869746.db2.gz UDCHQPQQPMPISD-LLVKDONJSA-N -1 3 368.480 2.640 20 10 FFCDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000773282792 737887859 /nfs/dbraw/zinc/88/78/59/737887859.db2.gz ANYDGLWNHOOZIA-UHFFFAOYSA-N -1 3 352.481 2.620 20 10 FFCDHM CCN(CCNC(=O)NCc1c([O-])cccc1F)CCC(F)(F)F ZINC000922187612 738102727 /nfs/dbraw/zinc/10/27/27/738102727.db2.gz KONYQTRFQQVDFR-UHFFFAOYSA-N -1 3 351.344 2.605 20 10 FFCDHM COCCCNC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775662923 738110338 /nfs/dbraw/zinc/11/03/38/738110338.db2.gz IGBUDJFPIIZSDR-UHFFFAOYSA-N -1 3 358.841 2.549 20 10 FFCDHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1c([O-])cccc1F ZINC000928710886 738898739 /nfs/dbraw/zinc/89/87/39/738898739.db2.gz XDEXFJLUAAPKPD-HNNXBMFYSA-N -1 3 350.415 2.664 20 10 FFCDHM CCOc1cc(O)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000790411900 739450394 /nfs/dbraw/zinc/45/03/94/739450394.db2.gz UNMHLZOVIMQRQL-UHFFFAOYSA-N -1 3 366.395 2.684 20 10 FFCDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790899109 739510528 /nfs/dbraw/zinc/51/05/28/739510528.db2.gz IPYJYXJZNMYGFT-NEPJUHHUSA-N -1 3 350.415 2.616 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000792186815 739648488 /nfs/dbraw/zinc/64/84/88/739648488.db2.gz QXYGIMFOVOMJHE-CYBMUJFWSA-N -1 3 353.260 2.660 20 10 FFCDHM CC[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363218 739773807 /nfs/dbraw/zinc/77/38/07/739773807.db2.gz RGKXKXDXHKVBDL-CJNGLKHVSA-N -1 3 356.260 2.925 20 10 FFCDHM O=S(=O)([N-]Cc1ccccc1O)c1c(F)cccc1OC(F)(F)F ZINC000805009295 740925163 /nfs/dbraw/zinc/92/51/63/740925163.db2.gz OWTUHGORDOAWPW-UHFFFAOYSA-N -1 3 365.304 2.908 20 10 FFCDHM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812419167 741619301 /nfs/dbraw/zinc/61/93/01/741619301.db2.gz IJAMHXCDKABWAK-CHWSQXEVSA-N -1 3 370.471 2.594 20 10 FFCDHM COC(=O)CN(Cc1nc(C(F)F)no1)Cc1cc(Cl)ccc1[O-] ZINC000822746842 742778159 /nfs/dbraw/zinc/77/81/59/742778159.db2.gz OCQRIMIXVIPJGR-UHFFFAOYSA-N -1 3 361.732 2.541 20 10 FFCDHM COC(=O)CN(Cc1c(C2CC2)cnn1C)Cc1cc(Cl)ccc1[O-] ZINC000824769650 743145509 /nfs/dbraw/zinc/14/55/09/743145509.db2.gz XQBOTIPHHKGEPY-UHFFFAOYSA-N -1 3 363.845 2.832 20 10 FFCDHM O=C1NCCN(Cc2ccc(Br)cc2[O-])[C@@H]1c1cccs1 ZINC000824856331 743165227 /nfs/dbraw/zinc/16/52/27/743165227.db2.gz VVSWDILZPCEIEM-CQSZACIVSA-N -1 3 367.268 2.889 20 10 FFCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCCOC2)O1 ZINC000825752404 743322423 /nfs/dbraw/zinc/32/24/23/743322423.db2.gz ACXJIEGHAKLIAV-LRDDRELGSA-N -1 3 356.260 2.925 20 10 FFCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCCOC2)O1 ZINC000825752401 743322931 /nfs/dbraw/zinc/32/29/31/743322931.db2.gz ACXJIEGHAKLIAV-BLLLJJGKSA-N -1 3 356.260 2.925 20 10 FFCDHM CS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000826064724 743363559 /nfs/dbraw/zinc/36/35/59/743363559.db2.gz NVWHPQLZDNLPTD-ZDUSSCGKSA-N -1 3 362.289 2.554 20 10 FFCDHM C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cc(Br)ccc1[O-] ZINC000848556859 748960226 /nfs/dbraw/zinc/96/02/26/748960226.db2.gz FICKLCKDIVLPEB-NOZJJQNGSA-N -1 3 367.247 2.975 20 10 FFCDHM COc1cc(Br)cc(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)c1[O-] ZINC000854247903 750268090 /nfs/dbraw/zinc/26/80/90/750268090.db2.gz KBUOBRHJSQLOHJ-LBPRGKRZSA-N -1 3 358.232 2.754 20 10 FFCDHM O=C([O-])c1ccccc1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC001595253828 949567935 /nfs/dbraw/zinc/56/79/35/949567935.db2.gz CNNIISZDTNCLSW-IBGZPJMESA-N -1 3 369.417 2.896 20 10 FFCDHM CCCCN1CC[C@@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271434986 973000411 /nfs/dbraw/zinc/00/04/11/973000411.db2.gz ZMFLDDCSJQSCMS-FQEVSTJZSA-N -1 3 360.454 2.743 20 10 FFCDHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1Cn1cccn1 ZINC001604792411 974027682 /nfs/dbraw/zinc/02/76/82/974027682.db2.gz ACLWFZAOBUIFDE-UHFFFAOYSA-N -1 3 351.406 2.928 20 10 FFCDHM CC(C)C[C@H](CC(=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899855229 977366716 /nfs/dbraw/zinc/36/67/16/977366716.db2.gz UXDCINHCTXVXBF-SJLPKXTDSA-N -1 3 363.502 2.609 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1[O-] ZINC000175583573 991222087 /nfs/dbraw/zinc/22/20/87/991222087.db2.gz VRHMWTXONSBVDM-UHFFFAOYSA-N -1 3 373.384 2.964 20 10 FFCDHM O=C1CCC[C@H]2CN(Cc3cccc(I)c3[O-])C[C@H]12 ZINC001237785073 992719439 /nfs/dbraw/zinc/71/94/39/992719439.db2.gz CBRCENUJEGSTQF-JQWIXIFHSA-N -1 3 371.218 2.798 20 10 FFCDHM COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001598879052 996788826 /nfs/dbraw/zinc/78/88/26/996788826.db2.gz FVHGOZUTIWMBKK-BZPMIXESSA-N -1 3 350.415 2.608 20 10 FFCDHM COc1cccc(CN2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000825504367 997403925 /nfs/dbraw/zinc/40/39/25/997403925.db2.gz ZFOCOFSYYZSRDM-UHFFFAOYSA-N -1 3 374.412 2.640 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@](F)(CO)CC1 ZINC001144299114 998285501 /nfs/dbraw/zinc/28/55/01/998285501.db2.gz POZQCNHSYPEDQW-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM CN(CC(=O)N1CCOCC1)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000732179798 998526470 /nfs/dbraw/zinc/52/64/70/998526470.db2.gz FPVJVGLWMIMRFR-UHFFFAOYSA-N -1 3 354.406 2.582 20 10 FFCDHM CCc1ccc([O-])c(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 ZINC000740128979 999663161 /nfs/dbraw/zinc/66/31/61/999663161.db2.gz YVNWKYYUJNQVFD-UHFFFAOYSA-N -1 3 367.449 2.909 20 10 FFCDHM CC1(c2ccccc2)CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000846245401 1000238806 /nfs/dbraw/zinc/23/88/06/1000238806.db2.gz FLPHQTPIULBUIP-UHFFFAOYSA-N -1 3 366.421 2.687 20 10 FFCDHM COc1ncc(NC(=O)c2cccc(O)c2[O-])c(C)c1Br ZINC001146763005 1000750507 /nfs/dbraw/zinc/75/05/07/1000750507.db2.gz PBJUDUYSMJBKSA-UHFFFAOYSA-N -1 3 353.172 2.825 20 10 FFCDHM O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001148218910 1001071571 /nfs/dbraw/zinc/07/15/71/1001071571.db2.gz NUAZMDRCTIFKLY-UHFFFAOYSA-N -1 3 361.297 2.644 20 10 FFCDHM O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)c1cc(O)c([O-])c(O)c1 ZINC001148589962 1001176544 /nfs/dbraw/zinc/17/65/44/1001176544.db2.gz SDSLUTHVANRIPC-UHFFFAOYSA-N -1 3 361.785 2.696 20 10 FFCDHM COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc([N+](=O)[O-])c(OC)c1[O-])N2 ZINC000772180108 1001312227 /nfs/dbraw/zinc/31/22/27/1001312227.db2.gz XJVNTJGIMKBCJK-MRXNPFEDSA-N -1 3 359.338 2.514 20 10 FFCDHM CCCCN1C[C@@]2(CC1=O)COCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001276191844 1016501930 /nfs/dbraw/zinc/50/19/30/1016501930.db2.gz BTBYTYRYXYTROT-IBGZPJMESA-N -1 3 368.424 2.521 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(Cc2ccccc2)[C@]2(CO)CCOC2)c1[O-] ZINC000787674392 1001702806 /nfs/dbraw/zinc/70/28/06/1001702806.db2.gz DDGRKSGXLSWYNW-NRFANRHFSA-N -1 3 373.424 2.888 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ccc([O-])c(F)c2)CC1 ZINC001185750809 1003062483 /nfs/dbraw/zinc/06/24/83/1003062483.db2.gz ZBJJCDNVSXENRU-UHFFFAOYSA-N -1 3 374.434 2.673 20 10 FFCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1NC(C)=O ZINC000774936515 1003086022 /nfs/dbraw/zinc/08/60/22/1003086022.db2.gz UFIKWSDPKKSPTR-UHFFFAOYSA-N -1 3 361.354 2.888 20 10 FFCDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)c1 ZINC001185996933 1003143105 /nfs/dbraw/zinc/14/31/05/1003143105.db2.gz BEEJQLLJUDGQIJ-UHFFFAOYSA-N -1 3 365.886 2.904 20 10 FFCDHM COC(=O)c1c2[nH]ncc2ccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193228982 1004429572 /nfs/dbraw/zinc/42/95/72/1004429572.db2.gz BZJPVWZHZQZAQQ-UHFFFAOYSA-N -1 3 361.741 2.666 20 10 FFCDHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(C)n1-c1ccc(F)cc1 ZINC000808257661 1004783681 /nfs/dbraw/zinc/78/36/81/1004783681.db2.gz URNRFVUIEWEXRH-UHFFFAOYSA-N -1 3 356.401 2.619 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2c(c1)CNC2=O ZINC001152779237 1032229742 /nfs/dbraw/zinc/22/97/42/1032229742.db2.gz AHYLSWPFABCTSS-UHFFFAOYSA-N -1 3 367.792 2.767 20 10 FFCDHM CC[C@@](C)(C(=O)OC)N(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CC1 ZINC000822503649 1008658521 /nfs/dbraw/zinc/65/85/21/1008658521.db2.gz JXCPLPGULPUHMB-SFHVURJKSA-N -1 3 366.414 2.863 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001178412662 1008982343 /nfs/dbraw/zinc/98/23/43/1008982343.db2.gz DAJFNKMLEPBHEG-ZDUSSCGKSA-N -1 3 362.788 2.854 20 10 FFCDHM CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)NCc2c([O-])cccc2F)cn1 ZINC000924198328 1017188266 /nfs/dbraw/zinc/18/82/66/1017188266.db2.gz DGHSGVZWOMXSGL-DOTOQJQBSA-N -1 3 362.405 2.547 20 10 FFCDHM O=C(CCCOc1ccc2c(c1)NC(=O)CC2)NCc1c([O-])cccc1F ZINC000928707458 1019085137 /nfs/dbraw/zinc/08/51/37/1019085137.db2.gz DUNIXCZYVIWAHN-UHFFFAOYSA-N -1 3 372.396 2.891 20 10 FFCDHM COc1ccc(N2CCC(NC(=O)c3ccc(OC)cc3[O-])CC2)cc1 ZINC000726627015 1020498175 /nfs/dbraw/zinc/49/81/75/1020498175.db2.gz CIFKDCYPSKIUQP-UHFFFAOYSA-N -1 3 356.422 2.808 20 10 FFCDHM C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000757650261 1023843010 /nfs/dbraw/zinc/84/30/10/1023843010.db2.gz WAPKPERILBANKO-KAMYIIQDSA-N -1 3 374.462 2.939 20 10 FFCDHM CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCc1c([O-])cccc1F ZINC001156171322 1029074869 /nfs/dbraw/zinc/07/48/69/1029074869.db2.gz ZMXKXIKLVDKFEB-UHFFFAOYSA-N -1 3 362.348 2.698 20 10 FFCDHM CN(C)C(=O)c1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157728001 1029652352 /nfs/dbraw/zinc/65/23/52/1029652352.db2.gz VRQZGJCJVFURJQ-UHFFFAOYSA-N -1 3 357.801 2.698 20 10 FFCDHM COC[C@H]1Cn2ccnc2CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203639900 1030800610 /nfs/dbraw/zinc/80/06/10/1030800610.db2.gz MCKFGFATDFRPDM-GFCCVEGCSA-N -1 3 366.259 2.630 20 10 FFCDHM O=C(Nc1ccc(O[C@H]2CCNCC2(F)F)cc1)c1cccc(O)c1[O-] ZINC001219461074 1033655979 /nfs/dbraw/zinc/65/59/79/1033655979.db2.gz FXWCRVVRQCSESU-HNNXBMFYSA-N -1 3 364.348 2.726 20 10 FFCDHM CCOCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967893 1033865600 /nfs/dbraw/zinc/86/56/00/1033865600.db2.gz UQYNRWAVCAYJJS-HZPDHXFCSA-N -1 3 370.852 2.787 20 10 FFCDHM O=C(NCc1cnn(Cc2ccccc2)c1)NCc1c([O-])cccc1F ZINC001220787785 1034399125 /nfs/dbraw/zinc/39/91/25/1034399125.db2.gz VCYSVIOFSSTYRV-UHFFFAOYSA-N -1 3 354.385 2.776 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001140055069 1035324722 /nfs/dbraw/zinc/32/47/22/1035324722.db2.gz GVNSELBCBRQVMH-UHFFFAOYSA-N -1 3 356.376 2.869 20 10 FFCDHM COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1c([O-])cccc1Cl ZINC001140338291 1035443579 /nfs/dbraw/zinc/44/35/79/1035443579.db2.gz DPBDMZSMRPKDOY-MRXNPFEDSA-N -1 3 362.861 2.793 20 10 FFCDHM COc1cc(O[C@@H]2CCN(C)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227395302 1035533807 /nfs/dbraw/zinc/53/38/07/1035533807.db2.gz NHNBNJCBLRQAKS-GFCCVEGCSA-N -1 3 367.401 2.568 20 10 FFCDHM CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCN(C(C)C)C2)c1[O-] ZINC001227494113 1035581939 /nfs/dbraw/zinc/58/19/39/1035581939.db2.gz PIKZNHBOXKLMPL-NSHDSACASA-N -1 3 371.455 2.669 20 10 FFCDHM CC[C@H](C)N1CC2(CN(Cc3ccc4ccccc4c3[O-])C2)OCC1=O ZINC001277223243 1035627589 /nfs/dbraw/zinc/62/75/89/1035627589.db2.gz IQUFZLPPRLIWDH-HNNXBMFYSA-N -1 3 354.450 2.757 20 10 FFCDHM CC(C)CN1C[C@@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277231791 1035670647 /nfs/dbraw/zinc/67/06/47/1035670647.db2.gz GCUVVSDOOBKOSM-IBGZPJMESA-N -1 3 366.889 2.753 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1[C@H]2C[C@H]3C(=O)O[C@H]1[C@H]3C2 ZINC001227938136 1035822033 /nfs/dbraw/zinc/82/20/33/1035822033.db2.gz QOJSIVLIBNZNKR-RJBZCOAOSA-N -1 3 366.369 2.658 20 10 FFCDHM C[C@@H]1CCN(Cc2ccc(I)cc2[O-])CCC1=O ZINC001232975316 1036205431 /nfs/dbraw/zinc/20/54/31/1036205431.db2.gz ZWGHLCUSIIUYEN-SNVBAGLBSA-N -1 3 359.207 2.798 20 10 FFCDHM O=c1c2ccccc2nnn1C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336135 1036540895 /nfs/dbraw/zinc/54/08/95/1036540895.db2.gz ZUUPMYRBVLSBRF-UHFFFAOYSA-N -1 3 372.375 2.612 20 10 FFCDHM COc1cnc(O[C@@H]2CCN(Cc3cccc(C(F)(F)F)c3[O-])C2)nc1 ZINC001233419561 1036612749 /nfs/dbraw/zinc/61/27/49/1036612749.db2.gz DBGQLYXYQRJLIS-GFCCVEGCSA-N -1 3 369.343 2.863 20 10 FFCDHM CCN1CC[C@@H](Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001229540933 1036729650 /nfs/dbraw/zinc/72/96/50/1036729650.db2.gz FDGNJQJCYHCAMP-CYBMUJFWSA-N -1 3 351.402 2.949 20 10 FFCDHM COC(=O)[C@H]1C[C@@H](Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001229540842 1036730728 /nfs/dbraw/zinc/73/07/28/1036730728.db2.gz DICXHPHFOJSCMN-TXEJJXNPSA-N -1 3 366.369 2.806 20 10 FFCDHM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001234474950 1037054754 /nfs/dbraw/zinc/05/47/54/1037054754.db2.gz AODNTKLDRNTTHS-KRWDZBQOSA-N -1 3 371.433 2.970 20 10 FFCDHM CN1CC[C@H](NC(=O)NCc2c([O-])cccc2F)[C@H]1c1ccc(F)cc1 ZINC001230458899 1037285746 /nfs/dbraw/zinc/28/57/46/1037285746.db2.gz UUORFWYFJOPWBH-FUHWJXTLSA-N -1 3 361.392 2.915 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCCn3cnc(Cn4cccc4)c3C2)c1 ZINC001231564489 1037687447 /nfs/dbraw/zinc/68/74/47/1037687447.db2.gz WDZDHEYPQDXTHE-UHFFFAOYSA-N -1 3 366.421 2.543 20 10 FFCDHM COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231565287 1037689136 /nfs/dbraw/zinc/68/91/36/1037689136.db2.gz DCAYIPBRBDWMHN-CQSZACIVSA-N -1 3 357.406 2.879 20 10 FFCDHM COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231565287 1037689149 /nfs/dbraw/zinc/68/91/49/1037689149.db2.gz DCAYIPBRBDWMHN-CQSZACIVSA-N -1 3 357.406 2.879 20 10 FFCDHM NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566090 1037690173 /nfs/dbraw/zinc/69/01/73/1037690173.db2.gz PUQNCBDAYHCITC-PKOBYXMFSA-N -1 3 368.433 2.714 20 10 FFCDHM NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566090 1037690180 /nfs/dbraw/zinc/69/01/80/1037690180.db2.gz PUQNCBDAYHCITC-PKOBYXMFSA-N -1 3 368.433 2.714 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc3ccccc3c2[O-])[C@@H](CO)C1 ZINC001231878233 1037970280 /nfs/dbraw/zinc/97/02/80/1037970280.db2.gz HEWHQUKRIDBDNR-QGZVFWFLSA-N -1 3 372.465 2.959 20 10 FFCDHM CCC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236671114 1038183171 /nfs/dbraw/zinc/18/31/71/1038183171.db2.gz SHDAYGVKSPYGKN-CYBMUJFWSA-N -1 3 355.276 2.954 20 10 FFCDHM COC[C@@H]1Cn2nccc2CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236798286 1038276497 /nfs/dbraw/zinc/27/64/97/1038276497.db2.gz FKTIJVUAYACXTJ-LBPRGKRZSA-N -1 3 351.834 2.529 20 10 FFCDHM COc1cc([O-])c(CN2CCN(CC(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001236799361 1038278145 /nfs/dbraw/zinc/27/81/45/1038278145.db2.gz NGKLZFIYORGMKB-UHFFFAOYSA-N -1 3 370.877 2.514 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3ccnc(OC)c3)CC2)c(Cl)c1 ZINC001236805816 1038279021 /nfs/dbraw/zinc/27/90/21/1038279021.db2.gz JFDIGYIKILBKHT-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM CN1CCO[C@]2(CCCN(Cc3cc(Br)c(F)cc3[O-])C2)C1 ZINC001278391231 1038811150 /nfs/dbraw/zinc/81/11/50/1038811150.db2.gz OEOTUKXGJXEPFJ-MRXNPFEDSA-N -1 3 373.266 2.590 20 10 FFCDHM CN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC001259090453 1039703204 /nfs/dbraw/zinc/70/32/04/1039703204.db2.gz URFMCZACRWRMAH-UHFFFAOYSA-N -1 3 367.421 2.517 20 10 FFCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)ccc1O ZINC001259430916 1039999551 /nfs/dbraw/zinc/99/95/51/1039999551.db2.gz LGLJVKVZWHUMMV-UHFFFAOYSA-N -1 3 357.334 2.997 20 10 FFCDHM Cc1c(Br)cncc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215327726 1041739697 /nfs/dbraw/zinc/73/96/97/1041739697.db2.gz PZMNVKHXIFITMP-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001262926353 1041967082 /nfs/dbraw/zinc/96/70/82/1041967082.db2.gz BILCHSXTOKZCGN-STQMWFEESA-N -1 3 371.466 2.945 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CC3(CN(CCCC(F)(F)F)C3)C2)c1 ZINC001279281956 1042982155 /nfs/dbraw/zinc/98/21/55/1042982155.db2.gz NDGHWTZLQBNUIH-UHFFFAOYSA-N -1 3 358.360 2.551 20 10 FFCDHM [O-]c1c(CN2CC3(CCN3CCn3ccnc3)C2)cccc1C(F)(F)F ZINC001279504066 1043198012 /nfs/dbraw/zinc/19/80/12/1043198012.db2.gz CMYFANDKGBHWNW-UHFFFAOYSA-N -1 3 366.387 2.568 20 10 FFCDHM [O-]c1c(F)cccc1CN1C[C@@H]2[C@H](C1)OCCN2CCCC(F)(F)F ZINC001279525332 1043224323 /nfs/dbraw/zinc/22/43/23/1043224323.db2.gz NXAIXASXLDIXIH-CABCVRRESA-N -1 3 362.367 2.759 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCC[C@]12CCOC2 ZINC001237781841 1043353970 /nfs/dbraw/zinc/35/39/70/1043353970.db2.gz BEGZVZQSBJTADR-CQSZACIVSA-N -1 3 359.207 2.752 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237777965 1043351505 /nfs/dbraw/zinc/35/15/05/1043351505.db2.gz QPUMDJPDHIEQJT-SMDDNHRTSA-N -1 3 373.234 2.998 20 10 FFCDHM O=C(COC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1)N1CCCC1 ZINC001237801981 1043366478 /nfs/dbraw/zinc/36/64/78/1043366478.db2.gz JQKNKUKXEDFOTJ-UHFFFAOYSA-N -1 3 370.852 2.788 20 10 FFCDHM COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c([O-])c1Cl ZINC001279665145 1043427628 /nfs/dbraw/zinc/42/76/28/1043427628.db2.gz HWTXTEFELNTLGW-GASCZTMLSA-N -1 3 362.861 2.626 20 10 FFCDHM Cc1cc(C)n(-c2ccc(CNC(=O)NCc3c([O-])cccc3F)cn2)n1 ZINC001311356008 1043900496 /nfs/dbraw/zinc/90/04/96/1043900496.db2.gz MWZSWUIAPLDTIL-UHFFFAOYSA-N -1 3 369.400 2.728 20 10 FFCDHM CCN(C(=O)[C@@H]1COCCC12CN(Cc1c([O-])cccc1F)C2)C(C)C ZINC001280009555 1044085172 /nfs/dbraw/zinc/08/51/72/1044085172.db2.gz UTGOAEXZFMNUMV-INIZCTEOSA-N -1 3 364.461 2.627 20 10 FFCDHM CCN(C(=O)c1n[nH]c2c1CCN(Cc1cc(F)ccc1[O-])C2)C(C)C ZINC001280294125 1044564742 /nfs/dbraw/zinc/56/47/42/1044564742.db2.gz PZDQBMPILGBLKF-UHFFFAOYSA-N -1 3 360.433 2.683 20 10 FFCDHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001292969222 1049453016 /nfs/dbraw/zinc/45/30/16/1049453016.db2.gz DPCXSJLQFTYASZ-GOSISDBHSA-N -1 3 366.465 2.953 20 10 FFCDHM Cc1cc(N(C)C)ccc1CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001308883538 1052512234 /nfs/dbraw/zinc/51/22/34/1052512234.db2.gz XNUMDWDZVQFRIT-WBMJQRKESA-N -1 3 357.420 2.950 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001339382177 1056398276 /nfs/dbraw/zinc/39/82/76/1056398276.db2.gz WSFMNNUKSUVURU-HDICACEKSA-N -1 3 371.466 2.660 20 10 FFCDHM CN(C[C@@H]1CCCOC1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001520149341 1059429647 /nfs/dbraw/zinc/42/96/47/1059429647.db2.gz SHFBRFMYYZEDIW-NSHDSACASA-N -1 3 359.455 2.660 20 10 FFCDHM CC(=O)N[C@H](CC(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001456086744 1060009741 /nfs/dbraw/zinc/00/97/41/1060009741.db2.gz HHBBHYWYRHRRSA-OAHLLOKOSA-N -1 3 366.339 2.693 20 10 FFCDHM CC[C@H](CO)NC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001462166991 1061524775 /nfs/dbraw/zinc/52/47/75/1061524775.db2.gz SYBGOGPIMYMQHV-CYBMUJFWSA-N -1 3 350.365 2.783 20 10 FFCDHM COC(=O)[C@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC001462611340 1061692091 /nfs/dbraw/zinc/69/20/91/1061692091.db2.gz KBCRNTOQJRWVLD-AWEZNQCLSA-N -1 3 372.377 2.661 20 10 FFCDHM CCOC(=O)COc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001466129047 1063334303 /nfs/dbraw/zinc/33/43/03/1063334303.db2.gz JPCNLOOIZJEEDB-UHFFFAOYSA-N -1 3 362.357 2.795 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cc(F)ccc2N2CCOCC2)c1 ZINC001474012763 1065439556 /nfs/dbraw/zinc/43/95/56/1065439556.db2.gz UAZTUDFPIOGDSU-UHFFFAOYSA-N -1 3 361.373 2.566 20 10 FFCDHM O=C(Nc1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])C2)C(F)(F)F ZINC001584423126 1079350715 /nfs/dbraw/zinc/35/07/15/1079350715.db2.gz JNBFEUQJYDNJBV-UHFFFAOYSA-N -1 3 366.295 2.755 20 10 FFCDHM CC(C)(C)OC(=O)NC1(CO)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001561054623 1076325775 /nfs/dbraw/zinc/32/57/75/1076325775.db2.gz JXWJRKBMZBOJPX-UHFFFAOYSA-N -1 3 372.412 2.522 20 10 FFCDHM COC(=O)c1cnc(Cl)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001563162364 1076525437 /nfs/dbraw/zinc/52/54/37/1076525437.db2.gz YWHYKEONNCZENH-UHFFFAOYSA-N -1 3 353.737 2.688 20 10 FFCDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001589899021 1080846471 /nfs/dbraw/zinc/84/64/71/1080846471.db2.gz DBVWHKXGRBJUEC-SECBINFHSA-N -1 3 368.422 2.931 20 10 FFCDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001589899021 1080846472 /nfs/dbraw/zinc/84/64/72/1080846472.db2.gz DBVWHKXGRBJUEC-SECBINFHSA-N -1 3 368.422 2.931 20 10 FFCDHM C[C@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589936556 1080879794 /nfs/dbraw/zinc/87/97/94/1080879794.db2.gz DQYFRPANSKXBIZ-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589936556 1080879798 /nfs/dbraw/zinc/87/97/98/1080879798.db2.gz DQYFRPANSKXBIZ-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589950925 1080895604 /nfs/dbraw/zinc/89/56/04/1080895604.db2.gz YJMIXDKGLFWSHV-WDEREUQCSA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589950925 1080895609 /nfs/dbraw/zinc/89/56/09/1080895609.db2.gz YJMIXDKGLFWSHV-WDEREUQCSA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589999585 1080928745 /nfs/dbraw/zinc/92/87/45/1080928745.db2.gz XRWRRENEMQIAJM-SQWLQELKSA-N -1 3 367.453 2.778 20 10 FFCDHM COc1cc(Br)cc(CN2CCC3(CCOC3=O)CC2)c1[O-] ZINC000359871914 210194191 /nfs/dbraw/zinc/19/41/91/210194191.db2.gz KHZKIGMPSMKDEF-UHFFFAOYSA-N -1 3 370.243 2.692 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000055668554 506820841 /nfs/dbraw/zinc/82/08/41/506820841.db2.gz MKQLNEQJCJMCRU-UHFFFAOYSA-N -1 3 368.480 2.866 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCN(c3nc(C)ns3)CC2)c1[O-] ZINC000079465365 507964942 /nfs/dbraw/zinc/96/49/42/507964942.db2.gz OXLBVATURXFQIY-UHFFFAOYSA-N -1 3 364.446 2.606 20 10 FFCDHM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000094122317 508169594 /nfs/dbraw/zinc/16/95/94/508169594.db2.gz QTSDOVQGGCLQIK-NWDGAFQWSA-N -1 3 354.472 2.803 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cnn(C(C)C)c1 ZINC000189168916 509447488 /nfs/dbraw/zinc/44/74/88/509447488.db2.gz UJKGVHVEJYOEOV-UHFFFAOYSA-N -1 3 365.817 2.638 20 10 FFCDHM Cc1ccc(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c([O-])c1O ZINC000179471172 509462510 /nfs/dbraw/zinc/46/25/10/509462510.db2.gz FDEARYDNDPEDCK-AWEZNQCLSA-N -1 3 368.393 2.978 20 10 FFCDHM C[C@H]1CS(=O)(=O)CCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183083196 509585131 /nfs/dbraw/zinc/58/51/31/509585131.db2.gz KTWPIIYAGIMVPB-HNNXBMFYSA-N -1 3 361.463 2.590 20 10 FFCDHM C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCS1(=O)=O ZINC000183083006 509585380 /nfs/dbraw/zinc/58/53/80/509585380.db2.gz PYGNDOXPIPHHFI-HNNXBMFYSA-N -1 3 361.463 2.590 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000187221058 510133763 /nfs/dbraw/zinc/13/37/63/510133763.db2.gz MKMRLXIRWIXPOS-UHFFFAOYSA-N -1 3 355.316 2.790 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1ccnn1C ZINC000184331740 510268054 /nfs/dbraw/zinc/26/80/54/510268054.db2.gz GWGXZYPBFFQORU-UHFFFAOYSA-N -1 3 366.259 2.870 20 10 FFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCO[C@@]2(CCOC2)C1 ZINC000187548943 510326633 /nfs/dbraw/zinc/32/66/33/510326633.db2.gz RXTYQXHFPQEYCU-NRFANRHFSA-N -1 3 355.434 2.963 20 10 FFCDHM COc1ccnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c1OC ZINC000190859878 510379123 /nfs/dbraw/zinc/37/91/23/510379123.db2.gz QRLNGILOWLYPBN-INIZCTEOSA-N -1 3 358.438 2.986 20 10 FFCDHM Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187863584 510476071 /nfs/dbraw/zinc/47/60/71/510476071.db2.gz SESRUTHAUXTJHL-FZMZJTMJSA-N -1 3 364.396 2.559 20 10 FFCDHM C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000191196215 510544672 /nfs/dbraw/zinc/54/46/72/510544672.db2.gz LXKMGKCXFXKVNJ-NSHDSACASA-N -1 3 370.421 2.772 20 10 FFCDHM C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000184964683 510606410 /nfs/dbraw/zinc/60/64/10/510606410.db2.gz YOURBXNGXHSJNH-GFCCVEGCSA-N -1 3 352.431 2.632 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1noc(C)n1 ZINC000175698879 510742209 /nfs/dbraw/zinc/74/22/09/510742209.db2.gz SXBDHQKXPUNWLF-UHFFFAOYSA-N -1 3 369.219 2.578 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CC(=O)N(C)C)CC2)c1[O-] ZINC000182172364 510793422 /nfs/dbraw/zinc/79/34/22/510793422.db2.gz RDVORZBZOJCOMO-UHFFFAOYSA-N -1 3 352.862 2.939 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccc(OC)nn1 ZINC000175846389 510820429 /nfs/dbraw/zinc/82/04/29/510820429.db2.gz ZRPIAQVVKRGBLP-UHFFFAOYSA-N -1 3 366.215 2.616 20 10 FFCDHM CC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCOCC1 ZINC000277687323 510969286 /nfs/dbraw/zinc/96/92/86/510969286.db2.gz GUOWXTZFILSGPC-UHFFFAOYSA-N -1 3 352.818 2.627 20 10 FFCDHM COc1c([O-])c(CN[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278292229 510987682 /nfs/dbraw/zinc/98/76/82/510987682.db2.gz BTAOCNBYBMUOQK-SSINHNECSA-N -1 3 364.423 2.897 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282511197 511007369 /nfs/dbraw/zinc/00/73/69/511007369.db2.gz XKPQHIYCJANSLA-KRWDZBQOSA-N -1 3 364.785 2.714 20 10 FFCDHM COCc1cc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1F ZINC000278857351 511012232 /nfs/dbraw/zinc/01/22/32/511012232.db2.gz LRXZNLNCTGPJET-UHFFFAOYSA-N -1 3 350.346 2.884 20 10 FFCDHM C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850182 511015587 /nfs/dbraw/zinc/01/55/87/511015587.db2.gz ZCPFPAWGUKRPPT-SKDRFNHKSA-N -1 3 354.319 2.584 20 10 FFCDHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000286009811 511017869 /nfs/dbraw/zinc/01/78/69/511017869.db2.gz JFKXREHRXLYXJL-LBPRGKRZSA-N -1 3 363.435 2.691 20 10 FFCDHM O=C(NC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-])Nc1ccccc1 ZINC000279081157 511018097 /nfs/dbraw/zinc/01/80/97/511018097.db2.gz FAQQCJRSBULBOU-OAHLLOKOSA-N -1 3 369.421 2.914 20 10 FFCDHM COc1cc(OC)cc(OCCCN(C)C(=O)c2cccc(O)c2[O-])c1 ZINC000279314426 511042166 /nfs/dbraw/zinc/04/21/66/511042166.db2.gz ORUWWSRVGRJBOP-UHFFFAOYSA-N -1 3 361.394 2.656 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCCC(=O)N1 ZINC000289608349 511106807 /nfs/dbraw/zinc/10/68/07/511106807.db2.gz LBLJLOSWBKRQHS-CYBMUJFWSA-N -1 3 369.259 2.562 20 10 FFCDHM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000362376893 511182221 /nfs/dbraw/zinc/18/22/21/511182221.db2.gz SQOIGVRXXCYLJP-GOSISDBHSA-N -1 3 370.840 2.675 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1O ZINC000295438500 511404910 /nfs/dbraw/zinc/40/49/10/511404910.db2.gz ZUOOFOMIUUHPHR-AWEZNQCLSA-N -1 3 364.442 2.782 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1O ZINC000272766541 511506280 /nfs/dbraw/zinc/50/62/80/511506280.db2.gz RJYPYLSUWZCYEE-TZMCWYRMSA-N -1 3 364.442 2.782 20 10 FFCDHM CCNC(=O)c1cccc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273402570 511524683 /nfs/dbraw/zinc/52/46/83/511524683.db2.gz NMXDXLIKEGESIG-ZDUSSCGKSA-N -1 3 356.422 2.779 20 10 FFCDHM COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1OCCO ZINC000273385999 511525073 /nfs/dbraw/zinc/52/50/73/511525073.db2.gz JLNJCYFRPDANMC-GFCCVEGCSA-N -1 3 362.382 2.531 20 10 FFCDHM C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480395 511528711 /nfs/dbraw/zinc/52/87/11/511528711.db2.gz UGXFSUWUGHORAI-DYVFJYSZSA-N -1 3 370.409 2.537 20 10 FFCDHM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(=O)[n-]1 ZINC000375669565 512445782 /nfs/dbraw/zinc/44/57/82/512445782.db2.gz SPJVKVQMZQVWJW-SNVBAGLBSA-N -1 3 369.393 2.849 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000375823209 512525350 /nfs/dbraw/zinc/52/53/50/512525350.db2.gz JGWDUACDZNTOTH-AEFFLSMTSA-N -1 3 361.417 2.556 20 10 FFCDHM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000367905282 512715921 /nfs/dbraw/zinc/71/59/21/512715921.db2.gz YLSVHOCCONZNJG-LLVKDONJSA-N -1 3 369.377 2.956 20 10 FFCDHM Cc1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)n1 ZINC000378522545 512805465 /nfs/dbraw/zinc/80/54/65/512805465.db2.gz SPMJLJRZFMDGBR-INIZCTEOSA-N -1 3 374.872 2.847 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737269324 599017063 /nfs/dbraw/zinc/01/70/63/599017063.db2.gz CUNQHZRXGQPUDY-PKNBQFBNSA-N -1 3 362.437 2.571 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737269324 599017065 /nfs/dbraw/zinc/01/70/65/599017065.db2.gz CUNQHZRXGQPUDY-PKNBQFBNSA-N -1 3 362.437 2.571 20 10 FFCDHM C[C@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480398 604315838 /nfs/dbraw/zinc/31/58/38/604315838.db2.gz XINYOODOOQRCDO-QWHCGFSZSA-N -1 3 353.850 2.580 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733913 605128090 /nfs/dbraw/zinc/12/80/90/605128090.db2.gz VLNPHUOJHMEOKW-GFCCVEGCSA-N -1 3 358.394 2.697 20 10 FFCDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)cc1 ZINC000826162728 608136609 /nfs/dbraw/zinc/13/66/09/608136609.db2.gz PQRKSAPTHVNSDU-UHFFFAOYSA-N -1 3 368.441 2.570 20 10 FFCDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)C)cc1 ZINC000826162728 608136610 /nfs/dbraw/zinc/13/66/10/608136610.db2.gz PQRKSAPTHVNSDU-UHFFFAOYSA-N -1 3 368.441 2.570 20 10 FFCDHM O=C(C1=CC(=O)CS1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470323 608560902 /nfs/dbraw/zinc/56/09/02/608560902.db2.gz MENTYAWNXZEPQR-UHFFFAOYSA-N -1 3 353.407 2.563 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc(C)c1F ZINC000172883619 729033990 /nfs/dbraw/zinc/03/39/90/729033990.db2.gz MBRUTLMUZNLBEJ-UHFFFAOYSA-N -1 3 372.443 2.615 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC2CCC2)c1 ZINC000856271788 730320313 /nfs/dbraw/zinc/32/03/13/730320313.db2.gz MPIJJYHMWUUBQT-OAHLLOKOSA-N -1 3 366.483 2.949 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2ncc3c(n2)CCOC3)c1 ZINC000865293887 730936300 /nfs/dbraw/zinc/93/63/00/730936300.db2.gz APAVEBGDAFNAQI-UHFFFAOYSA-N -1 3 350.216 2.938 20 10 FFCDHM O=C(NCCc1cccc(C(F)(F)F)n1)NCc1c([O-])cccc1F ZINC000922605012 738172494 /nfs/dbraw/zinc/17/24/94/738172494.db2.gz DVSONUVHNGBGNO-UHFFFAOYSA-N -1 3 357.307 2.987 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907067 738670623 /nfs/dbraw/zinc/67/06/23/738670623.db2.gz CUDYAWFRZJHRDZ-WDEREUQCSA-N -1 3 364.305 2.717 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CCN(CC(F)(F)F)CC1 ZINC000707151822 734361739 /nfs/dbraw/zinc/36/17/39/734361739.db2.gz HOUFOFZRCJUEGG-UHFFFAOYSA-N -1 3 353.182 2.835 20 10 FFCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000893977246 734781053 /nfs/dbraw/zinc/78/10/53/734781053.db2.gz CQZODCCBVLCWBK-JTQLQIEISA-N -1 3 356.394 2.511 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706230 738897642 /nfs/dbraw/zinc/89/76/42/738897642.db2.gz PILDKVYTILFKPX-SMDDNHRTSA-N -1 3 352.406 2.841 20 10 FFCDHM COC(=O)CN(CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000749296618 735711469 /nfs/dbraw/zinc/71/14/69/735711469.db2.gz GQNMGNQMVMWSKD-UHFFFAOYSA-N -1 3 357.834 2.752 20 10 FFCDHM O=C(NCc1ccccc1O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000769366247 737521979 /nfs/dbraw/zinc/52/19/79/737521979.db2.gz XCDBWFVAGXBCQB-UHFFFAOYSA-N -1 3 373.206 2.926 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000769639691 737548673 /nfs/dbraw/zinc/54/86/73/737548673.db2.gz TXCFBPXSWSFYEC-MELADBBJSA-N -1 3 366.483 2.852 20 10 FFCDHM COC(=O)CN(CCO[C@H]1CCCCO1)Cc1cc(Cl)ccc1[O-] ZINC000769746965 737560747 /nfs/dbraw/zinc/56/07/47/737560747.db2.gz MQVGTZJKGKFIMA-KRWDZBQOSA-N -1 3 357.834 2.564 20 10 FFCDHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769765556 737564169 /nfs/dbraw/zinc/56/41/69/737564169.db2.gz CDZQGWIYNJKULO-SWLSCSKDSA-N -1 3 354.472 2.852 20 10 FFCDHM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])Nc2cc(F)ccc21 ZINC000917503015 737761270 /nfs/dbraw/zinc/76/12/70/737761270.db2.gz WUPXCBABZPTHAO-ZDUSSCGKSA-N -1 3 353.147 2.854 20 10 FFCDHM Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000919812183 737878499 /nfs/dbraw/zinc/87/84/99/737878499.db2.gz NSTPDFDDRQKVKK-CYBMUJFWSA-N -1 3 362.451 2.872 20 10 FFCDHM COC(=O)CN(Cc1nnc(C(C)(C)C)[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000814627944 741851425 /nfs/dbraw/zinc/85/14/25/741851425.db2.gz ZBAFGDGDOIMBPY-UHFFFAOYSA-N -1 3 366.849 2.636 20 10 FFCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cnn1 ZINC000787131292 739107527 /nfs/dbraw/zinc/10/75/27/739107527.db2.gz MLNBHBAGSZNUGL-INIZCTEOSA-N -1 3 360.845 2.538 20 10 FFCDHM COCCN(Cc1ccnn1C)Cc1cccc(Br)c1[O-] ZINC000787331416 739127761 /nfs/dbraw/zinc/12/77/61/739127761.db2.gz KLHVTJXQNBCSMD-UHFFFAOYSA-N -1 3 354.248 2.537 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000931865222 739343202 /nfs/dbraw/zinc/34/32/02/739343202.db2.gz CTBMSZXTGYYXRA-ZANVPECISA-N -1 3 350.312 2.831 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000790415492 739450889 /nfs/dbraw/zinc/45/08/89/739450889.db2.gz HBFYKYWSTIJCKE-UHFFFAOYSA-N -1 3 351.424 2.781 20 10 FFCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc(N2CCOCC2)n1 ZINC000790989410 739521642 /nfs/dbraw/zinc/52/16/42/739521642.db2.gz CTIKPSRDLPKDKO-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360831 739773307 /nfs/dbraw/zinc/77/33/07/739773307.db2.gz ACSHLLKKSITLTO-LRDDRELGSA-N -1 3 356.260 2.843 20 10 FFCDHM CCOC(=O)C1(COC)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000793365608 739774367 /nfs/dbraw/zinc/77/43/67/739774367.db2.gz JNAIMMNRWPLTPS-UHFFFAOYSA-N -1 3 359.825 2.976 20 10 FFCDHM [O-]c1c(Br)cccc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000799344752 740411046 /nfs/dbraw/zinc/41/10/46/740411046.db2.gz ZTJPBQBRBRFLET-QGZVFWFLSA-N -1 3 364.239 2.915 20 10 FFCDHM COc1c(NC(=O)c2cccc(O)c2[O-])cc(Cl)cc1C(=O)N(C)C ZINC000803799241 740827977 /nfs/dbraw/zinc/82/79/77/740827977.db2.gz YXBVMNVHBHWIMA-UHFFFAOYSA-N -1 3 364.785 2.714 20 10 FFCDHM O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)C(F)(F)F ZINC000811514751 741532781 /nfs/dbraw/zinc/53/27/81/741532781.db2.gz POKDPWNLUYHVNF-SNVBAGLBSA-N -1 3 350.768 2.936 20 10 FFCDHM O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)C(F)(F)F ZINC000811514751 741532782 /nfs/dbraw/zinc/53/27/82/741532782.db2.gz POKDPWNLUYHVNF-SNVBAGLBSA-N -1 3 350.768 2.936 20 10 FFCDHM Cc1ccnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nnn[n-]1 ZINC000826310104 743379347 /nfs/dbraw/zinc/37/93/47/743379347.db2.gz LOSMWZCJKFOBGT-UHFFFAOYSA-N -1 3 353.817 2.912 20 10 FFCDHM Cc1ccnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nn[n-]n1 ZINC000826310104 743379349 /nfs/dbraw/zinc/37/93/49/743379349.db2.gz LOSMWZCJKFOBGT-UHFFFAOYSA-N -1 3 353.817 2.912 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000826894544 743464937 /nfs/dbraw/zinc/46/49/37/743464937.db2.gz QUUNYCFZUOLQMH-GWCFXTLKSA-N -1 3 371.808 2.761 20 10 FFCDHM Cc1cc([O-])c(CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1Cl ZINC000827775938 744975379 /nfs/dbraw/zinc/97/53/79/744975379.db2.gz LAAQPIOIWTVXTO-UHFFFAOYSA-N -1 3 372.899 2.621 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@@H]4CCC[C@H]43)c2c1 ZINC000840147795 747019744 /nfs/dbraw/zinc/01/97/44/747019744.db2.gz YYPGLEMBNWGSCL-IEBWSBKVSA-N -1 3 361.463 2.706 20 10 FFCDHM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1[O-] ZINC000848560321 748960985 /nfs/dbraw/zinc/96/09/85/748960985.db2.gz CKTGWSBESHKUGG-SECBINFHSA-N -1 3 354.252 2.747 20 10 FFCDHM c1ccc(-c2nnn[n-]2)c(OCCOc2ccc(N3CCCC3)cc2)c1 ZINC000826519601 948446627 /nfs/dbraw/zinc/44/66/27/948446627.db2.gz GFGPYWVZXIBZSU-UHFFFAOYSA-N -1 3 351.410 2.925 20 10 FFCDHM c1ccc(-c2nn[n-]n2)c(OCCOc2ccc(N3CCCC3)cc2)c1 ZINC000826519601 948446634 /nfs/dbraw/zinc/44/66/34/948446634.db2.gz GFGPYWVZXIBZSU-UHFFFAOYSA-N -1 3 351.410 2.925 20 10 FFCDHM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(Cc2ccncc2)CC1 ZINC000892129545 966035902 /nfs/dbraw/zinc/03/59/02/966035902.db2.gz CAIIIXNZMMZXDL-UHFFFAOYSA-N -1 3 374.872 2.904 20 10 FFCDHM CO[C@@H]1C[C@H]2CN(Cc3cc(F)cc(F)c3[O-])Cc3cccnc3N2C1 ZINC000895439580 970616920 /nfs/dbraw/zinc/61/69/20/970616920.db2.gz DHQJURMKEFNITF-JKSUJKDBSA-N -1 3 361.392 2.675 20 10 FFCDHM O=c1c2ccccc2nnn1C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527120 982578939 /nfs/dbraw/zinc/57/89/39/982578939.db2.gz LGFVYELTEFCBOF-UHFFFAOYSA-N -1 3 372.375 2.612 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000914123373 987214768 /nfs/dbraw/zinc/21/47/68/987214768.db2.gz PZDRILUITGVPLT-UHFFFAOYSA-N -1 3 367.421 2.730 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921936518 987368750 /nfs/dbraw/zinc/36/87/50/987368750.db2.gz ZYMUWBRQHHSPIV-LBPRGKRZSA-N -1 3 367.421 2.588 20 10 FFCDHM COc1ccc(C2=NO[C@@H](CNC(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC000922370297 988511293 /nfs/dbraw/zinc/51/12/93/988511293.db2.gz JDCGQNWQZDZIAP-CQSZACIVSA-N -1 3 373.384 2.532 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc2c(c1)CC(=O)N2C ZINC000916595762 989834775 /nfs/dbraw/zinc/83/47/75/989834775.db2.gz AYNOFYIEEJAGCE-LLVKDONJSA-N -1 3 357.385 2.611 20 10 FFCDHM C[C@@H]1[C@@H](C)N(C(=O)c2cccc(O)c2[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000844033861 997613428 /nfs/dbraw/zinc/61/34/28/997613428.db2.gz FTUCCNRLONJPKA-YNEHKIRRSA-N -1 3 364.442 2.956 20 10 FFCDHM O=C(Nc1n[nH]c2ccc(Br)cc21)c1cc(O)c([O-])c(O)c1 ZINC001148581764 1001174033 /nfs/dbraw/zinc/17/40/33/1001174033.db2.gz VKTYXDFGQVQMSQ-UHFFFAOYSA-N -1 3 364.155 2.695 20 10 FFCDHM CN(C)c1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001184539929 1002640061 /nfs/dbraw/zinc/64/00/61/1002640061.db2.gz ZYMHYCVFQMKNSS-UHFFFAOYSA-N -1 3 356.813 2.985 20 10 FFCDHM COc1c([O-])c(CN2CCN(c3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000774834275 1002818598 /nfs/dbraw/zinc/81/85/98/1002818598.db2.gz DMKFVAWPMBXIEV-UHFFFAOYSA-N -1 3 357.410 2.940 20 10 FFCDHM COc1cc[nH]c(=O)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001185109180 1002821719 /nfs/dbraw/zinc/82/17/19/1002821719.db2.gz LRKYGVHOTQWSDJ-UHFFFAOYSA-N -1 3 359.769 2.633 20 10 FFCDHM Cc1ccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c([O-])c1O ZINC000804895234 1003902135 /nfs/dbraw/zinc/90/21/35/1003902135.db2.gz GRLDQLWJXHBZGS-UHFFFAOYSA-N -1 3 364.348 2.773 20 10 FFCDHM Cc1ccnc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001198018678 1004447756 /nfs/dbraw/zinc/44/77/56/1004447756.db2.gz LJJARZMGDYKSBW-UHFFFAOYSA-N -1 3 363.826 2.776 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000129216306 1006210559 /nfs/dbraw/zinc/21/05/59/1006210559.db2.gz VNEQKFOEBZYSAU-QGZVFWFLSA-N -1 3 374.462 2.515 20 10 FFCDHM Cc1c2ccccc2oc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000115714667 1008239411 /nfs/dbraw/zinc/23/94/11/1008239411.db2.gz KMFMBZVOUPBDNS-UHFFFAOYSA-N -1 3 374.418 2.748 20 10 FFCDHM C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1c([O-])cccc1F ZINC000886582693 1008751508 /nfs/dbraw/zinc/75/15/08/1008751508.db2.gz HGRIKBHHGMXNPO-AWEZNQCLSA-N -1 3 373.428 2.975 20 10 FFCDHM CC(C)(C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1cnccn1 ZINC001178197551 1008904308 /nfs/dbraw/zinc/90/43/08/1008904308.db2.gz BDTLRXMAOLIDDC-UHFFFAOYSA-N -1 3 356.813 2.978 20 10 FFCDHM Cn1ccnc1CNc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412691 1008985842 /nfs/dbraw/zinc/98/58/42/1008985842.db2.gz FDEPGDFZHBEWKH-UHFFFAOYSA-N -1 3 354.385 2.807 20 10 FFCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000861246262 1009316479 /nfs/dbraw/zinc/31/64/79/1009316479.db2.gz VRKNFXWGXPNVID-KRWDZBQOSA-N -1 3 356.422 2.533 20 10 FFCDHM CCOCn1nc(C)c(C[C@H](C)C(=O)NCc2c([O-])cccc2F)c1C ZINC000928706283 1019083205 /nfs/dbraw/zinc/08/32/05/1019083205.db2.gz QJHNGSLKQIJRBL-LBPRGKRZSA-N -1 3 363.433 2.834 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000928706687 1019084502 /nfs/dbraw/zinc/08/45/02/1019084502.db2.gz VCOBODGAIORWRM-CQSZACIVSA-N -1 3 366.396 2.669 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000929523220 1019480057 /nfs/dbraw/zinc/48/00/57/1019480057.db2.gz GRYYJHOXTZXXKK-QGZVFWFLSA-N -1 3 373.384 2.971 20 10 FFCDHM Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1c([O-])cccc1F ZINC000931251971 1020390129 /nfs/dbraw/zinc/39/01/29/1020390129.db2.gz ABTKEXCILOTUOQ-UHFFFAOYSA-N -1 3 359.401 2.998 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903400405 1020823336 /nfs/dbraw/zinc/82/33/36/1020823336.db2.gz UPJZZWSPKGPNMT-GHMZBOCLSA-N -1 3 368.359 2.836 20 10 FFCDHM N=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(F)c2[O-])N1)OCCCO4 ZINC000778520395 1022062212 /nfs/dbraw/zinc/06/22/12/1022062212.db2.gz VVTLCOJVWXBMPM-MRXNPFEDSA-N -1 3 369.356 2.539 20 10 FFCDHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001120356302 1023313845 /nfs/dbraw/zinc/31/38/45/1023313845.db2.gz WPBZVZNFNQVBIF-CABCVRRESA-N -1 3 372.387 2.608 20 10 FFCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc(C)n1 ZINC000755529702 1023606867 /nfs/dbraw/zinc/60/68/67/1023606867.db2.gz IXUKQPPTWOUXCR-INIZCTEOSA-N -1 3 374.872 2.847 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(CCF)CCOC ZINC001122035388 1024277453 /nfs/dbraw/zinc/27/74/53/1024277453.db2.gz IVQFNVFEXSQLDX-UHFFFAOYSA-N -1 3 365.434 2.703 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](CO)[C@H]1C ZINC001122036617 1024279901 /nfs/dbraw/zinc/27/99/01/1024279901.db2.gz TZCOBTMZBJWPBI-NEPJUHHUSA-N -1 3 373.482 2.878 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2noc(C(C)C)n2)c1[O-] ZINC000779630550 1024307722 /nfs/dbraw/zinc/30/77/22/1024307722.db2.gz BVXNMMTZZLIURR-OAHLLOKOSA-N -1 3 363.389 2.814 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1c[nH]c2nccnc12 ZINC001153201584 1027796744 /nfs/dbraw/zinc/79/67/44/1027796744.db2.gz TVSSAONOXVPVAG-UHFFFAOYSA-N -1 3 353.769 2.747 20 10 FFCDHM COc1nc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1[N+](=O)[O-] ZINC001157724699 1029652096 /nfs/dbraw/zinc/65/20/96/1029652096.db2.gz TWQLRVICXIFDSV-UHFFFAOYSA-N -1 3 361.745 2.913 20 10 FFCDHM NC(=O)[C@H]1c2ccccc2CCN1Cc1c([O-])cccc1Br ZINC001204730685 1031418634 /nfs/dbraw/zinc/41/86/34/1031418634.db2.gz VHLRUFULXDNWEZ-MRXNPFEDSA-N -1 3 361.239 2.739 20 10 FFCDHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276947901 1033722803 /nfs/dbraw/zinc/72/28/03/1033722803.db2.gz CTIRFYRKOIFQMU-QGZVFWFLSA-N -1 3 360.351 2.893 20 10 FFCDHM COCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277099364 1034529846 /nfs/dbraw/zinc/52/98/46/1034529846.db2.gz ZVEZKKNXRGOOMU-IBGZPJMESA-N -1 3 368.424 2.664 20 10 FFCDHM O=C1NC2(C[C@H]1c1ccncc1)CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682789 1035196832 /nfs/dbraw/zinc/19/68/32/1035196832.db2.gz CHKWPKRAAYVUCN-AWEZNQCLSA-N -1 3 373.403 2.704 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001140098901 1035340953 /nfs/dbraw/zinc/34/09/53/1035340953.db2.gz RONPPTLNGGLANY-RYUDHWBXSA-N -1 3 372.156 2.992 20 10 FFCDHM Cc1cc(N2CCN(Cc3c([O-])cccc3Br)CC2)ncn1 ZINC001140102573 1035342428 /nfs/dbraw/zinc/34/24/28/1035342428.db2.gz SFDBNWJVXYOYTA-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001140341835 1035444236 /nfs/dbraw/zinc/44/42/36/1035444236.db2.gz JNKIWYSECXNGDQ-UHFFFAOYSA-N -1 3 373.888 2.758 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001140465276 1035485224 /nfs/dbraw/zinc/48/52/24/1035485224.db2.gz MHERLDQBQMMZGD-LJQANCHMSA-N -1 3 374.872 2.707 20 10 FFCDHM COc1cc(O[C@@H](C)CN(C)C)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227391766 1035531778 /nfs/dbraw/zinc/53/17/78/1035531778.db2.gz AVAKQDFFKFVLLF-LBPRGKRZSA-N -1 3 369.417 2.814 20 10 FFCDHM COc1cc([O-])c(CN2CCN(Cc3ccccc3)C(=O)C2)cc1Cl ZINC001232268448 1035540284 /nfs/dbraw/zinc/54/02/84/1035540284.db2.gz OAPXBGXSBHDCKA-UHFFFAOYSA-N -1 3 360.841 2.899 20 10 FFCDHM COc1cc([O-])c(CN2CC3(C2)CN(c2ccccc2)C3=O)cc1Cl ZINC001232269943 1035541372 /nfs/dbraw/zinc/54/13/72/1035541372.db2.gz OPQFIALIYINITI-UHFFFAOYSA-N -1 3 358.825 2.903 20 10 FFCDHM O=C1NC2(C[C@@H]1c1ccncc1)CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581311 1035660628 /nfs/dbraw/zinc/66/06/28/1035660628.db2.gz UOZJSYHUCOGWEA-OAHLLOKOSA-N -1 3 373.403 2.704 20 10 FFCDHM CN(Cc1ccc(F)c(F)c1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233074189 1036320475 /nfs/dbraw/zinc/32/04/75/1036320475.db2.gz KPSTYIMDECVNMZ-ZDUSSCGKSA-N -1 3 372.412 2.738 20 10 FFCDHM CC1=C[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC(=O)O1 ZINC001229186581 1036536899 /nfs/dbraw/zinc/53/68/99/1036536899.db2.gz MDFMKBGLJAVSFQ-NSHDSACASA-N -1 3 350.326 2.766 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001233333125 1036539360 /nfs/dbraw/zinc/53/93/60/1036539360.db2.gz KQVLYNUWNIJGMM-YJYMSZOUSA-N -1 3 362.376 2.593 20 10 FFCDHM Cc1cnc2n1CCN(C)C21CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233333626 1036541753 /nfs/dbraw/zinc/54/17/53/1036541753.db2.gz CFXGKAHDYOCGQR-UHFFFAOYSA-N -1 3 362.424 2.612 20 10 FFCDHM CN1CCC[C@@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229197866 1036548693 /nfs/dbraw/zinc/54/86/93/1036548693.db2.gz RGFFSBMIHCAOOC-GFCCVEGCSA-N -1 3 367.401 2.736 20 10 FFCDHM Cc1c([O-])cc2c(c1OC1CCN(C)CC1)C(=O)c1ccccc1C2=O ZINC001229829450 1036922168 /nfs/dbraw/zinc/92/21/68/1036922168.db2.gz RRNVNNMHAHIXBN-UHFFFAOYSA-N -1 3 351.402 2.949 20 10 FFCDHM C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1cnccn1 ZINC001234754063 1037169161 /nfs/dbraw/zinc/16/91/61/1037169161.db2.gz TYWHRARFMDGFJL-SECBINFHSA-N -1 3 366.329 2.993 20 10 FFCDHM O=C([O-])c1ccc(CN2CCN(c3nccc4occc43)CC2)c(O)c1 ZINC001231452515 1037591141 /nfs/dbraw/zinc/59/11/41/1037591141.db2.gz QBQQGIDBTIIJGL-UHFFFAOYSA-N -1 3 353.378 2.554 20 10 FFCDHM COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453238 1037594763 /nfs/dbraw/zinc/59/47/63/1037594763.db2.gz JAFKJZIYPZLSJD-HNNXBMFYSA-N -1 3 358.394 2.537 20 10 FFCDHM COc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453238 1037594768 /nfs/dbraw/zinc/59/47/68/1037594768.db2.gz JAFKJZIYPZLSJD-HNNXBMFYSA-N -1 3 358.394 2.537 20 10 FFCDHM O=C([O-])c1ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC001231454571 1037597534 /nfs/dbraw/zinc/59/75/34/1037597534.db2.gz RUKAHVREWPCSHK-UHFFFAOYSA-N -1 3 360.454 2.705 20 10 FFCDHM CCOC(=O)c1cnc2n1CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC001231880892 1037974908 /nfs/dbraw/zinc/97/49/08/1037974908.db2.gz MPKRIKJALNWXRF-UHFFFAOYSA-N -1 3 351.406 2.934 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@H](NC(=O)NC(C)C)C2)c(Cl)c1 ZINC001236805444 1038279499 /nfs/dbraw/zinc/27/94/99/1038279499.db2.gz GSRWSRGEZCCIQA-LBPRGKRZSA-N -1 3 355.866 2.726 20 10 FFCDHM COc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)c([O-])c1Cl ZINC001236812509 1038286384 /nfs/dbraw/zinc/28/63/84/1038286384.db2.gz YHEVAUMQZRAWLI-UHFFFAOYSA-N -1 3 352.862 2.935 20 10 FFCDHM COc1cc([O-])c(CN2CCC(F)CC2)cc1I ZINC001248461975 1040285321 /nfs/dbraw/zinc/28/53/21/1040285321.db2.gz JDDCWEWJUJWJBM-UHFFFAOYSA-N -1 3 365.186 2.939 20 10 FFCDHM Cc1cc(CN2CCn3c(nnc3C3CC3)C2)c([O-])cc1Br ZINC001250128915 1041124225 /nfs/dbraw/zinc/12/42/25/1041124225.db2.gz PNOXQJPTFBJOPH-UHFFFAOYSA-N -1 3 363.259 2.948 20 10 FFCDHM Cc1cc(CN2CCN(C(=O)C3CC3)CC2)c([O-])cc1Br ZINC001250128626 1041124823 /nfs/dbraw/zinc/12/48/23/1041124823.db2.gz IKDRHQWSYBFKMA-UHFFFAOYSA-N -1 3 353.260 2.517 20 10 FFCDHM Cc1nc(CC(C)C)c(NC(=O)C(=O)NCc2c([O-])cccc2F)s1 ZINC001262744608 1041827135 /nfs/dbraw/zinc/82/71/35/1041827135.db2.gz XHZKCPXGLCSMIO-UHFFFAOYSA-N -1 3 365.430 2.750 20 10 FFCDHM Cc1cc(CN2CCC23CN(Cc2cc(Cl)c(C)cc2[O-])C3)n(C)n1 ZINC001279433466 1043107527 /nfs/dbraw/zinc/10/75/27/1043107527.db2.gz UMWQQYHZZSTXIU-UHFFFAOYSA-N -1 3 360.889 2.856 20 10 FFCDHM CC(C)NC(=O)N1CCC12CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001279513639 1043210300 /nfs/dbraw/zinc/21/03/00/1043210300.db2.gz JYYHACGPQDYFTC-UHFFFAOYSA-N -1 3 357.376 2.789 20 10 FFCDHM [O-]c1c(F)cccc1CN1CC2(CN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001279525394 1043223761 /nfs/dbraw/zinc/22/37/61/1043223761.db2.gz QCDANVQTOZFZLF-UHFFFAOYSA-N -1 3 352.413 2.725 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CCC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001279525055 1043223781 /nfs/dbraw/zinc/22/37/81/1043223781.db2.gz BVFBDLUPNOGCBO-UHFFFAOYSA-N -1 3 357.429 2.527 20 10 FFCDHM O=C(Nc1cccnc1)N1CCC12CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001279571952 1043276868 /nfs/dbraw/zinc/27/68/68/1043276868.db2.gz DENSPJRMBSYHEV-UHFFFAOYSA-N -1 3 374.828 2.638 20 10 FFCDHM CCc1nnc2n1CCN(Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237681109 1043308109 /nfs/dbraw/zinc/30/81/09/1043308109.db2.gz HHXUWHIQDSSMDO-UHFFFAOYSA-N -1 3 351.248 2.633 20 10 FFCDHM C[C@H]1CN(Cc2cccc(I)c2[O-])CC[C@]1(C)O ZINC001237775055 1043351378 /nfs/dbraw/zinc/35/13/78/1043351378.db2.gz BUCREQYEOSJRER-HZMBPMFUSA-N -1 3 361.223 2.590 20 10 FFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(Cl)c1 ZINC001279665922 1043430171 /nfs/dbraw/zinc/43/01/71/1043430171.db2.gz UMMTYTIVMLCNDL-OKILXGFUSA-N -1 3 362.861 2.626 20 10 FFCDHM CN1CCO[C@]2(CCCN(Cc3c([O-])cc(Br)cc3F)C2)C1 ZINC001279685288 1043465848 /nfs/dbraw/zinc/46/58/48/1043465848.db2.gz UXADIHMTLXTMDW-MRXNPFEDSA-N -1 3 373.266 2.590 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(N2C(=O)CCC2=O)cc1 ZINC001311321165 1043885353 /nfs/dbraw/zinc/88/53/53/1043885353.db2.gz SNIMADBEQYPZIK-UHFFFAOYSA-N -1 3 357.341 2.506 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1COC2(CCCCCC2)O1 ZINC001312395864 1044108069 /nfs/dbraw/zinc/10/80/69/1044108069.db2.gz CAEDBCBAIJQESJ-CYBMUJFWSA-N -1 3 352.406 2.796 20 10 FFCDHM COC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2ccccc2c1 ZINC001295454854 1049930348 /nfs/dbraw/zinc/93/03/48/1049930348.db2.gz FKWMDFAJBMAADN-QGZVFWFLSA-N -1 3 351.358 2.895 20 10 FFCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2ccccc2c1 ZINC001295454853 1049930647 /nfs/dbraw/zinc/93/06/47/1049930647.db2.gz FKWMDFAJBMAADN-KRWDZBQOSA-N -1 3 351.358 2.895 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001341902740 1050504547 /nfs/dbraw/zinc/50/45/47/1050504547.db2.gz SAHSJUJOJSBLNH-VXGBXAGGSA-N -1 3 371.466 2.660 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOC2(CCCC2)C1 ZINC001340208650 1050616889 /nfs/dbraw/zinc/61/68/89/1050616889.db2.gz GLGBOJNFXYMLMG-UHFFFAOYSA-N -1 3 371.466 2.947 20 10 FFCDHM CCCOc1ccc(NC(=O)C(=O)NCc2c([O-])cccc2F)cc1C ZINC001337030321 1054424249 /nfs/dbraw/zinc/42/42/49/1054424249.db2.gz FSMBWLASCMPIRS-UHFFFAOYSA-N -1 3 360.385 2.883 20 10 FFCDHM CC(C)COc1cccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001348856559 1054964403 /nfs/dbraw/zinc/96/44/03/1054964403.db2.gz VTBWZOYFRPPIMA-UHFFFAOYSA-N -1 3 360.385 2.821 20 10 FFCDHM CC(C)(C)OC(=O)N1CC=C(C(=O)NCc2c([O-])cccc2F)CC1 ZINC001354282416 1058806249 /nfs/dbraw/zinc/80/62/49/1058806249.db2.gz LQMHZJZAVLWVPC-UHFFFAOYSA-N -1 3 350.390 2.715 20 10 FFCDHM COc1cc(C(=O)NCc2c([O-])cccc2F)cnc1Br ZINC001456031495 1059991974 /nfs/dbraw/zinc/99/19/74/1059991974.db2.gz XRGXUXDHLLQQOT-UHFFFAOYSA-N -1 3 355.163 2.627 20 10 FFCDHM O=S(=O)(Cc1ccc(Br)cc1)NCc1c([O-])cccc1F ZINC001475706920 1061220662 /nfs/dbraw/zinc/22/06/62/1061220662.db2.gz KEFDDKKDTHCROU-UHFFFAOYSA-N -1 3 374.231 2.913 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc([S@](C)=O)cc1 ZINC001478374583 1061991773 /nfs/dbraw/zinc/99/17/73/1061991773.db2.gz MRXRUSKVSNTHRG-BUBHHJDNSA-N -1 3 350.415 2.829 20 10 FFCDHM C[C@H]1CN(C(C)(C)CNC(=O)NCc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC001467898380 1063878540 /nfs/dbraw/zinc/87/85/40/1063878540.db2.gz NNIUWOYLMUXACK-STQMWFEESA-N -1 3 369.893 2.733 20 10 FFCDHM CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cccc(O)c1[O-] ZINC001472578833 1065101050 /nfs/dbraw/zinc/10/10/50/1065101050.db2.gz VWKBDLKJYFIEMQ-CQSZACIVSA-N -1 3 366.211 2.666 20 10 FFCDHM CCCN1CCN(Cc2c([O-])cccc2Br)C(C)(C)C1=O ZINC001474460893 1065527054 /nfs/dbraw/zinc/52/70/54/1065527054.db2.gz HVKQSYWCOLIKGF-UHFFFAOYSA-N -1 3 355.276 2.988 20 10 FFCDHM CN(C)c1ccc(CN(C)c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001578998541 1078560060 /nfs/dbraw/zinc/56/00/60/1078560060.db2.gz OZPPXNQXIKNVFV-UHFFFAOYSA-N -1 3 371.376 2.616 20 10 FFCDHM CN(C)c1ccc(CN(C)c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001578998541 1078560065 /nfs/dbraw/zinc/56/00/65/1078560065.db2.gz OZPPXNQXIKNVFV-UHFFFAOYSA-N -1 3 371.376 2.616 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC2(CCC2)CO1 ZINC001559607623 1076176727 /nfs/dbraw/zinc/17/67/27/1076176727.db2.gz SFYWDSPHZXYONT-HNNXBMFYSA-N -1 3 353.846 2.980 20 10 FFCDHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCc1c([O-])cccc1F ZINC001562381619 1076492098 /nfs/dbraw/zinc/49/20/98/1076492098.db2.gz JTZOGEPKLRPJQT-UHFFFAOYSA-N -1 3 366.414 2.706 20 10 FFCDHM C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC001589934978 1080877328 /nfs/dbraw/zinc/87/73/28/1080877328.db2.gz PUXPIMZUDOWFBN-RYUDHWBXSA-N -1 3 352.398 2.694 20 10 FFCDHM C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC001589934978 1080877336 /nfs/dbraw/zinc/87/73/36/1080877336.db2.gz PUXPIMZUDOWFBN-RYUDHWBXSA-N -1 3 352.398 2.694 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000367039693 512309367 /nfs/dbraw/zinc/30/93/67/512309367.db2.gz ZHQRNVACAKVROQ-BLLLJJGKSA-N -1 3 350.846 2.739 20 10 FFCDHM [O-]c1ccccc1CN(Cc1noc(C2CCOCC2)n1)C[C@H]1CCCO1 ZINC000111233034 508081047 /nfs/dbraw/zinc/08/10/47/508081047.db2.gz LSFYSNYTQWHUCQ-QGZVFWFLSA-N -1 3 373.453 2.850 20 10 FFCDHM COc1cc(Br)cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000377704772 512409994 /nfs/dbraw/zinc/40/99/94/512409994.db2.gz WRTDAZUTDBLGKF-KGLIPLIRSA-N -1 3 372.259 2.543 20 10 FFCDHM O=Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[nH]1 ZINC000153989968 508693057 /nfs/dbraw/zinc/69/30/57/508693057.db2.gz PKNUTBSYHDSGCV-AWEZNQCLSA-N -1 3 361.829 2.581 20 10 FFCDHM CCN(Cc1nc(COC)no1)Cc1cc(Br)ccc1[O-] ZINC000182375658 509200595 /nfs/dbraw/zinc/20/05/95/509200595.db2.gz RDMAUROKYMIXNM-UHFFFAOYSA-N -1 3 356.220 2.706 20 10 FFCDHM Cc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c([O-])c1O ZINC000182883876 509474721 /nfs/dbraw/zinc/47/47/21/509474721.db2.gz YJJHMVLJBNZUFH-AWEZNQCLSA-N -1 3 355.438 2.757 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1csc(CN)n1 ZINC000236919746 509534627 /nfs/dbraw/zinc/53/46/27/509534627.db2.gz IEDZCZNHYFLGSX-UHFFFAOYSA-N -1 3 370.272 2.732 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000189434300 509573962 /nfs/dbraw/zinc/57/39/62/509573962.db2.gz AYDWMIYLRZZKQO-UHFFFAOYSA-N -1 3 360.435 2.664 20 10 FFCDHM [O-]c1ccccc1CN(Cc1nnc2n1CCCCC2)C[C@H]1CCCO1 ZINC000264760833 509688874 /nfs/dbraw/zinc/68/88/74/509688874.db2.gz YWRJNXRBPSWDNJ-QGZVFWFLSA-N -1 3 356.470 2.891 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000192990861 509728259 /nfs/dbraw/zinc/72/82/59/509728259.db2.gz GJOVZORRALGZBC-UHFFFAOYSA-N -1 3 366.417 2.539 20 10 FFCDHM COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1cc(F)ccc1[O-] ZINC000180335276 509873918 /nfs/dbraw/zinc/87/39/18/509873918.db2.gz IJLCJBRXPFAWIB-UHFFFAOYSA-N -1 3 373.428 2.540 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCc1cscn1 ZINC000181588364 510486654 /nfs/dbraw/zinc/48/66/54/510486654.db2.gz LYYVJNQQTUCCCJ-UHFFFAOYSA-N -1 3 368.842 2.637 20 10 FFCDHM CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217927 510552026 /nfs/dbraw/zinc/55/20/26/510552026.db2.gz XRLHOVYJBBDOOK-MNOVXSKESA-N -1 3 370.421 2.990 20 10 FFCDHM C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998725 510952133 /nfs/dbraw/zinc/95/21/33/510952133.db2.gz YXIZGGINQUBULF-WBMJQRKESA-N -1 3 361.392 2.907 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCOCC1CC1 ZINC000277248774 510957323 /nfs/dbraw/zinc/95/73/23/510957323.db2.gz HEXKWQKZGFBKQZ-UHFFFAOYSA-N -1 3 352.818 2.627 20 10 FFCDHM Cc1nnc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277593165 510967369 /nfs/dbraw/zinc/96/73/69/510967369.db2.gz GWEURKMJQUBDER-MRVPVSSYSA-N -1 3 366.830 2.731 20 10 FFCDHM COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000278216931 510984626 /nfs/dbraw/zinc/98/46/26/510984626.db2.gz LCXRUGSSBGHFKH-UHFFFAOYSA-N -1 3 362.382 2.958 20 10 FFCDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000278273989 510986477 /nfs/dbraw/zinc/98/64/77/510986477.db2.gz HUOFJYXRJOSAHJ-NWDGAFQWSA-N -1 3 350.415 2.616 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](O)c1cccnc1 ZINC000270817704 510993960 /nfs/dbraw/zinc/99/39/60/510993960.db2.gz PSIGGTZKSCQPJG-OAHLLOKOSA-N -1 3 365.227 2.632 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886426 511011714 /nfs/dbraw/zinc/01/17/14/511011714.db2.gz OZNOXZKRQUNOCZ-UKRRQHHQSA-N -1 3 362.382 2.990 20 10 FFCDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1[N+](=O)[O-] ZINC000278868551 511011912 /nfs/dbraw/zinc/01/19/12/511011912.db2.gz MTRAROYDEFIIEA-UHFFFAOYSA-N -1 3 363.326 2.516 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CCCSC1 ZINC000287818979 511057941 /nfs/dbraw/zinc/05/79/41/511057941.db2.gz VJHUZKOMCRUDFF-NSHDSACASA-N -1 3 354.859 2.953 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c([O-])c1O ZINC000271255764 511139666 /nfs/dbraw/zinc/13/96/66/511139666.db2.gz ILLATBNGSIVMKR-UHFFFAOYSA-N -1 3 370.405 2.660 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CCO)c2ccc(OC)cc2)c1 ZINC000273353006 511522816 /nfs/dbraw/zinc/52/28/16/511522816.db2.gz CCNWSWFOKDTEON-ACJLOTCBSA-N -1 3 359.422 2.962 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273478961 511527657 /nfs/dbraw/zinc/52/76/57/511527657.db2.gz LNEABFLYRLVZLH-KDOFPFPSSA-N -1 3 368.433 2.631 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000365570838 511534179 /nfs/dbraw/zinc/53/41/79/511534179.db2.gz ZHXMDPICVULCPI-UHFFFAOYSA-N -1 3 355.316 2.860 20 10 FFCDHM COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC000365752766 511637251 /nfs/dbraw/zinc/63/72/51/511637251.db2.gz ISMFYWUVOFSLAC-JTQLQIEISA-N -1 3 355.350 2.647 20 10 FFCDHM CN(C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000275143795 512055831 /nfs/dbraw/zinc/05/58/31/512055831.db2.gz QDGXQWMCVOBBSW-LBPRGKRZSA-N -1 3 350.415 2.569 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375694325 512459838 /nfs/dbraw/zinc/45/98/38/512459838.db2.gz UXZFDXRFKYYLFU-OAHLLOKOSA-N -1 3 366.259 2.823 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)c([O-])c1O ZINC000378561896 512824890 /nfs/dbraw/zinc/82/48/90/512824890.db2.gz VJZNTNNPVCXMRR-OAHLLOKOSA-N -1 3 355.369 2.798 20 10 FFCDHM COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(O)c3[O-])n2)c1 ZINC000372478796 512896110 /nfs/dbraw/zinc/89/61/10/512896110.db2.gz WPBWQSHOIPLITK-SNVBAGLBSA-N -1 3 355.350 2.647 20 10 FFCDHM Cc1c2ccccc2n(C)c1CNC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000472172250 515155404 /nfs/dbraw/zinc/15/54/04/515155404.db2.gz MGQPENOKZLNMQL-UHFFFAOYSA-N -1 3 366.347 2.623 20 10 FFCDHM Cc1c2ccccc2n(C)c1CNC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000472172250 515155413 /nfs/dbraw/zinc/15/54/13/515155413.db2.gz MGQPENOKZLNMQL-UHFFFAOYSA-N -1 3 366.347 2.623 20 10 FFCDHM Cc1c2ccccc2n(C)c1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000472172250 515155422 /nfs/dbraw/zinc/15/54/22/515155422.db2.gz MGQPENOKZLNMQL-UHFFFAOYSA-N -1 3 366.347 2.623 20 10 FFCDHM CS(=O)(=O)c1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)co1 ZINC000528420601 516424677 /nfs/dbraw/zinc/42/46/77/516424677.db2.gz WSFFMXGVUBBMOW-MRXNPFEDSA-N -1 3 365.451 2.570 20 10 FFCDHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000739720363 600281707 /nfs/dbraw/zinc/28/17/07/600281707.db2.gz UEVNFIZJKYSYDR-UHFFFAOYSA-N -1 3 365.332 2.876 20 10 FFCDHM C[C@@H](c1ccccc1)[N@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000833549230 605077332 /nfs/dbraw/zinc/07/73/32/605077332.db2.gz PLBAUQQWGFOGQP-HNNXBMFYSA-N -1 3 356.422 2.546 20 10 FFCDHM C[C@@H](c1ccccc1)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000833549230 605077334 /nfs/dbraw/zinc/07/73/34/605077334.db2.gz PLBAUQQWGFOGQP-HNNXBMFYSA-N -1 3 356.422 2.546 20 10 FFCDHM COc1cc(N(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000821720321 606976591 /nfs/dbraw/zinc/97/65/91/606976591.db2.gz QYKBJGIEQVFOAN-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM COc1cc(N(C)Cc2ccc(F)c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000821720321 606976593 /nfs/dbraw/zinc/97/65/93/606976593.db2.gz QYKBJGIEQVFOAN-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000825333327 609236788 /nfs/dbraw/zinc/23/67/88/609236788.db2.gz WASROGXAZMPYQE-UHFFFAOYSA-N -1 3 368.397 2.661 20 10 FFCDHM COC(=O)C[C@@H]1CSCCN1Cc1cccc(Br)c1[O-] ZINC000093610711 728476857 /nfs/dbraw/zinc/47/68/57/728476857.db2.gz RXOUESDONCPOKT-LLVKDONJSA-N -1 3 360.273 2.635 20 10 FFCDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000751318641 735863746 /nfs/dbraw/zinc/86/37/46/735863746.db2.gz NLUNUTQTIVUDOL-NSHDSACASA-N -1 3 366.395 2.657 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CCC(C)(C)S(=O)(=O)CC3)c2c1 ZINC000193385050 729476852 /nfs/dbraw/zinc/47/68/52/729476852.db2.gz LHMMLTPDXDUSEU-UHFFFAOYSA-N -1 3 363.479 2.953 20 10 FFCDHM C[C@@H](NCc1cc(C(N)=O)co1)c1cc(Br)c(F)cc1[O-] ZINC000779069595 738433783 /nfs/dbraw/zinc/43/37/83/738433783.db2.gz WAQDECXRZCPVQT-SSDOTTSWSA-N -1 3 357.179 2.837 20 10 FFCDHM CCN(Cc1c([O-])cccc1Br)[C@H](C)CS(=O)(=O)CC ZINC000862245304 730681007 /nfs/dbraw/zinc/68/10/07/730681007.db2.gz MPMHYUDJWBUOJW-LLVKDONJSA-N -1 3 364.305 2.800 20 10 FFCDHM O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1c([O-])cccc1F ZINC000926298033 738594471 /nfs/dbraw/zinc/59/44/71/738594471.db2.gz KUTYMCWTDSOJKY-ZANVPECISA-N -1 3 350.312 2.831 20 10 FFCDHM COc1c([O-])c(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823134 732442092 /nfs/dbraw/zinc/44/20/92/732442092.db2.gz VCRJITZBQONDFQ-JOYOIKCWSA-N -1 3 364.320 2.851 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000781895459 738668902 /nfs/dbraw/zinc/66/89/02/738668902.db2.gz SSOHJAKEEPVUEW-HNNXBMFYSA-N -1 3 369.303 2.760 20 10 FFCDHM [O-]c1cccc(F)c1CNCc1sc(N2CCOCC2)nc1Cl ZINC000896638990 735177532 /nfs/dbraw/zinc/17/75/32/735177532.db2.gz SJBHNDYNWXXSGI-UHFFFAOYSA-N -1 3 357.838 2.768 20 10 FFCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000752094606 735956762 /nfs/dbraw/zinc/95/67/62/735956762.db2.gz RPWHTULXRYDWBB-IRXDYDNUSA-N -1 3 350.434 2.955 20 10 FFCDHM COC(=O)c1cc(-c2csc(NC(=O)c3cccc(O)c3[O-])n2)c[nH]1 ZINC000776325079 738182739 /nfs/dbraw/zinc/18/27/39/738182739.db2.gz GKXNXFGMJBRUDM-UHFFFAOYSA-N -1 3 359.363 2.588 20 10 FFCDHM CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000776652460 738219051 /nfs/dbraw/zinc/21/90/51/738219051.db2.gz QKSPXRKFTBCGGB-UHFFFAOYSA-N -1 3 350.415 2.665 20 10 FFCDHM COc1cc(CN(C)C(=O)c2cccc(O)c2[O-])ccc1OC(F)F ZINC000790463340 739458303 /nfs/dbraw/zinc/45/83/03/739458303.db2.gz RHDJIKSVSKQHOS-UHFFFAOYSA-N -1 3 353.321 2.980 20 10 FFCDHM C[C@@H]1[C@H](NC(=O)c2cccc(O)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC000790942692 739517030 /nfs/dbraw/zinc/51/70/30/739517030.db2.gz BHXOYAIQABAECQ-DGCLKSJQSA-N -1 3 350.415 2.616 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN[C@H](C)c2nnnn2C2CC2)c1 ZINC000791010313 739523159 /nfs/dbraw/zinc/52/31/59/739523159.db2.gz WTPQAJNVTCZVSJ-SECBINFHSA-N -1 3 352.236 2.635 20 10 FFCDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000824615189 743117158 /nfs/dbraw/zinc/11/71/58/743117158.db2.gz BSBMAHSQQLKBKB-CYBMUJFWSA-N -1 3 357.248 2.817 20 10 FFCDHM O=S1(=O)CC[C@]2(C1)CCCN(Cc1cc(Br)ccc1[O-])C2 ZINC000824976527 743187965 /nfs/dbraw/zinc/18/79/65/743187965.db2.gz BUCGFJQZHVSUQJ-OAHLLOKOSA-N -1 3 374.300 2.555 20 10 FFCDHM O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000825634573 743304364 /nfs/dbraw/zinc/30/43/64/743304364.db2.gz OSJMPTRANAVIAQ-UONOGXRCSA-N -1 3 354.244 2.725 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000826036401 743359292 /nfs/dbraw/zinc/35/92/92/743359292.db2.gz ICORUZWTOCSLFD-DEOSSOPVSA-N -1 3 373.902 2.630 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC3=C(CCC(=O)N3)C2)c1 ZINC000826785312 743442287 /nfs/dbraw/zinc/44/22/87/743442287.db2.gz RFEZQDYIPJMYKP-UHFFFAOYSA-N -1 3 351.244 2.833 20 10 FFCDHM Cc1ccnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826312182 947904480 /nfs/dbraw/zinc/90/44/80/947904480.db2.gz XPVWVJJPUMKPOH-CQSZACIVSA-N -1 3 365.441 2.580 20 10 FFCDHM Cc1ccnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826312182 947904489 /nfs/dbraw/zinc/90/44/89/947904489.db2.gz XPVWVJJPUMKPOH-CQSZACIVSA-N -1 3 365.441 2.580 20 10 FFCDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000120523507 959803524 /nfs/dbraw/zinc/80/35/24/959803524.db2.gz NAMZDEUERNXBCQ-UHFFFAOYSA-N -1 3 359.349 2.683 20 10 FFCDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000120523507 959803531 /nfs/dbraw/zinc/80/35/31/959803531.db2.gz NAMZDEUERNXBCQ-UHFFFAOYSA-N -1 3 359.349 2.683 20 10 FFCDHM CC(C)(C)OC(=O)NC1CN(Cc2c([O-])cccc2Br)C1 ZINC001140098594 960461833 /nfs/dbraw/zinc/46/18/33/960461833.db2.gz GSINZMZFKMGALC-UHFFFAOYSA-N -1 3 357.248 2.864 20 10 FFCDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000729512074 967498229 /nfs/dbraw/zinc/49/82/29/967498229.db2.gz CTDNYCFWCYXEIF-UHFFFAOYSA-N -1 3 365.433 2.689 20 10 FFCDHM O=c1[n-]c(CN(Cc2ccco2)Cc2ccccc2O)nc2c1COCC2 ZINC000878240357 1014939509 /nfs/dbraw/zinc/93/95/09/1014939509.db2.gz FXJZXTZQTIUYKL-UHFFFAOYSA-N -1 3 367.405 2.756 20 10 FFCDHM COCCCOc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000922422152 988588756 /nfs/dbraw/zinc/58/87/56/988588756.db2.gz UHCGMRDCSURPBH-UHFFFAOYSA-N -1 3 362.401 2.946 20 10 FFCDHM COc1ccc(N2CC[C@@H](CNC(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC000922950452 990763304 /nfs/dbraw/zinc/76/33/04/990763304.db2.gz LNEKUNROVFZVLK-AWEZNQCLSA-N -1 3 373.428 2.866 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1[O-] ZINC000175578897 991222121 /nfs/dbraw/zinc/22/21/21/991222121.db2.gz BZSGBKKVPPBQCQ-UHFFFAOYSA-N -1 3 374.387 2.831 20 10 FFCDHM C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246011 994444780 /nfs/dbraw/zinc/44/47/80/994444780.db2.gz FZPQMFUWWPFORL-AYVTZFPOSA-N -1 3 355.312 2.892 20 10 FFCDHM C[C@H](Oc1ccccc1CNCc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593648774 995998842 /nfs/dbraw/zinc/99/88/42/995998842.db2.gz MQHYACSDHPBVBM-INIZCTEOSA-N -1 3 370.449 2.665 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCCC[C@@](O)(CF)C1 ZINC001144299152 998285330 /nfs/dbraw/zinc/28/53/30/998285330.db2.gz QKMVXWTVLAZUPT-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM CN(C)C[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225048 999622597 /nfs/dbraw/zinc/62/25/97/999622597.db2.gz QPTSYKOCRKOZLL-HNNXBMFYSA-N -1 3 354.450 2.712 20 10 FFCDHM CN(C)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225048 999622598 /nfs/dbraw/zinc/62/25/98/999622598.db2.gz QPTSYKOCRKOZLL-HNNXBMFYSA-N -1 3 354.450 2.712 20 10 FFCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1c1ccccc1 ZINC000769719391 1000585412 /nfs/dbraw/zinc/58/54/12/1000585412.db2.gz IBOARGJBHDKYGG-KRWDZBQOSA-N -1 3 374.462 2.987 20 10 FFCDHM CC(C)N(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001148219036 1001070984 /nfs/dbraw/zinc/07/09/84/1001070984.db2.gz SEILPCQXNCDBII-ZDUSSCGKSA-N -1 3 364.442 2.958 20 10 FFCDHM CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(O)c1[O-] ZINC001148219237 1001071095 /nfs/dbraw/zinc/07/10/95/1001071095.db2.gz XYOMJMRPFZWQDA-ZDUSSCGKSA-N -1 3 364.442 2.817 20 10 FFCDHM O=C(NCc1cccnc1)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148219086 1001071465 /nfs/dbraw/zinc/07/14/65/1001071465.db2.gz RMBJFPDBRVSJGJ-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM COc1ccc(OC(F)(F)F)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586911 1001175533 /nfs/dbraw/zinc/17/55/33/1001175533.db2.gz ZYYBIXPNGCBQQY-UHFFFAOYSA-N -1 3 359.256 2.963 20 10 FFCDHM COc1cccc(NC2CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)c1 ZINC001148588639 1001176346 /nfs/dbraw/zinc/17/63/46/1001176346.db2.gz XXGZYBJTILEYDE-UHFFFAOYSA-N -1 3 358.394 2.529 20 10 FFCDHM Cc1c(Br)ccc(N)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148587078 1001176664 /nfs/dbraw/zinc/17/66/64/1001176664.db2.gz CMWGYVVLHHYUJM-UHFFFAOYSA-N -1 3 353.172 2.709 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2)CC1 ZINC000771742923 1001194998 /nfs/dbraw/zinc/19/49/98/1001194998.db2.gz GWLIHLOTHAIJCE-UHFFFAOYSA-N -1 3 370.409 2.695 20 10 FFCDHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276190981 1016500204 /nfs/dbraw/zinc/50/02/04/1016500204.db2.gz AQRUHLJGKLGMRO-QGZVFWFLSA-N -1 3 360.351 2.893 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1NC(=O)c2ccccc21 ZINC001182426560 1001837776 /nfs/dbraw/zinc/83/77/76/1001837776.db2.gz IYJWRGWGBYWWOB-INIZCTEOSA-N -1 3 367.792 2.695 20 10 FFCDHM COc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])N2CCCC2)cc1 ZINC000790065259 1002274487 /nfs/dbraw/zinc/27/44/87/1002274487.db2.gz KPWVTUCCDCRCBU-MRXNPFEDSA-N -1 3 374.412 2.812 20 10 FFCDHM O=C(N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cccc(O)c1[O-] ZINC000790557071 1002410608 /nfs/dbraw/zinc/41/06/08/1002410608.db2.gz NABHXWZOKFCISX-OAHLLOKOSA-N -1 3 361.401 2.842 20 10 FFCDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC001545684013 1005434890 /nfs/dbraw/zinc/43/48/90/1005434890.db2.gz HRUUGSTYGIIYOE-NSHDSACASA-N -1 3 356.378 2.722 20 10 FFCDHM COc1nc(S(=O)(=O)[N-]Cc2cc3ccccc3cc2O)ccc1F ZINC001190120849 1007481219 /nfs/dbraw/zinc/48/12/19/1007481219.db2.gz OEQAKDHHLOWCBI-UHFFFAOYSA-N -1 3 362.382 2.567 20 10 FFCDHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000822791536 1008765331 /nfs/dbraw/zinc/76/53/31/1008765331.db2.gz OMMJVYSKHFYKJW-CQSZACIVSA-N -1 3 358.413 2.788 20 10 FFCDHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001275230281 1012112316 /nfs/dbraw/zinc/11/23/16/1012112316.db2.gz YDFPIAUIMVJVNY-QGZVFWFLSA-N -1 3 360.351 2.893 20 10 FFCDHM COc1c([O-])c(CNc2cccc3c2CCN(C)C3=O)ccc1[N+](=O)[O-] ZINC000827319168 1017626316 /nfs/dbraw/zinc/62/63/16/1017626316.db2.gz ANGIVSFIYYIKLZ-UHFFFAOYSA-N -1 3 357.366 2.549 20 10 FFCDHM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC000928709966 1019085090 /nfs/dbraw/zinc/08/50/90/1019085090.db2.gz OLCXTLVGUWWXCM-INIZCTEOSA-N -1 3 360.385 2.505 20 10 FFCDHM COc1ccc(C2(C(=O)NCc3c([O-])cccc3F)CCOCC2)cc1 ZINC000928712677 1019086997 /nfs/dbraw/zinc/08/69/97/1019086997.db2.gz VWMRXLBBLQDPCL-UHFFFAOYSA-N -1 3 359.397 2.905 20 10 FFCDHM Cc1nn(C)c(C)c1[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000930687876 1020135672 /nfs/dbraw/zinc/13/56/72/1020135672.db2.gz WKRWFFGPEDGACO-AWEZNQCLSA-N -1 3 374.338 2.984 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000189425802 1023279554 /nfs/dbraw/zinc/27/95/54/1023279554.db2.gz JIPXQVHRCPRCQX-UHFFFAOYSA-N -1 3 372.446 2.591 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn(-c3ccccc3)nn2)c1 ZINC000756742820 1023752041 /nfs/dbraw/zinc/75/20/41/1023752041.db2.gz PJOMIUYNLVOXGO-CYBMUJFWSA-N -1 3 352.394 2.610 20 10 FFCDHM CC(C)(C)OC(=O)N1CCO[C@H]2CN(Cc3c([O-])cccc3F)CC[C@@H]21 ZINC001137832752 1033166182 /nfs/dbraw/zinc/16/61/82/1033166182.db2.gz GSZHQVXZJKJZCR-RDJZCZTQSA-N -1 3 366.433 2.742 20 10 FFCDHM C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3c([O-])cccc3F)c2N1 ZINC001123943533 1024166253 /nfs/dbraw/zinc/16/62/53/1024166253.db2.gz PLQYCXNSLLPBRI-AMIZOPFISA-N -1 3 372.322 2.965 20 10 FFCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000837236284 1025673801 /nfs/dbraw/zinc/67/38/01/1025673801.db2.gz IBZFFVULPXHQRR-QWHCGFSZSA-N -1 3 364.442 2.721 20 10 FFCDHM CCOc1ccnc(N2CCCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001204633586 1031395902 /nfs/dbraw/zinc/39/59/02/1031395902.db2.gz VIVYJJZYWNIHDC-UHFFFAOYSA-N -1 3 364.396 2.571 20 10 FFCDHM CC(C)C[C@@](C)(N)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001218920143 1033409062 /nfs/dbraw/zinc/40/90/62/1033409062.db2.gz RIZWDMPRALETFV-OAQYLSRUSA-N -1 3 366.417 2.870 20 10 FFCDHM COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(F)c1[O-] ZINC001138130517 1033818072 /nfs/dbraw/zinc/81/80/72/1033818072.db2.gz BMAMSWURNSMIIO-SFHVURJKSA-N -1 3 372.440 2.781 20 10 FFCDHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277095959 1034506993 /nfs/dbraw/zinc/50/69/93/1034506993.db2.gz MNRQVAMUFUTMAA-KRWDZBQOSA-N -1 3 360.351 2.893 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001139129063 1034958206 /nfs/dbraw/zinc/95/82/06/1034958206.db2.gz NAIRMMHMMGRVOA-QGZVFWFLSA-N -1 3 370.449 2.784 20 10 FFCDHM Cc1ccnc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139129380 1034958641 /nfs/dbraw/zinc/95/86/41/1034958641.db2.gz XPCPEJNRFMPIRQ-UHFFFAOYSA-N -1 3 365.433 2.833 20 10 FFCDHM CC(C)[C@H](CNC(=O)NCc1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC001221895546 1035142240 /nfs/dbraw/zinc/14/22/40/1035142240.db2.gz HKAIQYDOGZNBHV-AWEZNQCLSA-N -1 3 369.437 2.880 20 10 FFCDHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3c(F)ccc(F)c3[O-])O2)n1 ZINC001139681924 1035197172 /nfs/dbraw/zinc/19/71/72/1035197172.db2.gz IAHXRCNNYIAUJS-KFWWJZLASA-N -1 3 351.353 2.856 20 10 FFCDHM CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001140339585 1035443563 /nfs/dbraw/zinc/44/35/63/1035443563.db2.gz XUFOKKWSWCNIPV-SFHVURJKSA-N -1 3 365.861 2.633 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001140339237 1035443947 /nfs/dbraw/zinc/44/39/47/1035443947.db2.gz GHLQXOPSPBZQIQ-UHFFFAOYSA-N -1 3 357.845 2.893 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464514 1035484876 /nfs/dbraw/zinc/48/48/76/1035484876.db2.gz SQEDBJSTMCVUQL-SFHVURJKSA-N -1 3 374.868 2.905 20 10 FFCDHM CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140467500 1035486498 /nfs/dbraw/zinc/48/64/98/1035486498.db2.gz RSIOLQZGCODRSQ-SFHVURJKSA-N -1 3 365.861 2.633 20 10 FFCDHM CCOC(=O)c1nc2c(o1)CCN(Cc1cc(Cl)c(OC)cc1[O-])C2 ZINC001232267970 1035537753 /nfs/dbraw/zinc/53/77/53/1035537753.db2.gz KSZXLMUGRSMAIO-UHFFFAOYSA-N -1 3 366.801 2.777 20 10 FFCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)cc1 ZINC001140586000 1035671200 /nfs/dbraw/zinc/67/12/00/1035671200.db2.gz ZBOONCAIUKJWJS-OAHLLOKOSA-N -1 3 362.376 2.813 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232680 1035682516 /nfs/dbraw/zinc/68/25/16/1035682516.db2.gz WXOGCUIWNBYXIU-LIRRHRJNSA-N -1 3 366.889 2.895 20 10 FFCDHM [O-]c1cc(Br)cc(F)c1CN1CCC(N2CCOCC2)CC1 ZINC001233026845 1036266295 /nfs/dbraw/zinc/26/62/95/1036266295.db2.gz GPSGFULLUXTWMI-UHFFFAOYSA-N -1 3 373.266 2.590 20 10 FFCDHM CN1CCC2(CCN(Cc3c([O-])cc(Br)cc3F)CC2)C1=O ZINC001233030592 1036270378 /nfs/dbraw/zinc/27/03/78/1036270378.db2.gz ZSUSERHCOBLKCG-UHFFFAOYSA-N -1 3 371.250 2.738 20 10 FFCDHM COc1cc([O-])c(CN2CCN(CC(F)F)CC2)cc1Br ZINC001233141097 1036386885 /nfs/dbraw/zinc/38/68/85/1036386885.db2.gz FAUVETFRFCLNRE-UHFFFAOYSA-N -1 3 365.218 2.546 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@](C)(O)[C@H](C)C2)c1 ZINC001233306403 1036511633 /nfs/dbraw/zinc/51/16/33/1036511633.db2.gz PLRBBABXXXDGGD-QLJPJBMISA-N -1 3 372.259 2.534 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](C)[C@](C)(O)C2)c1 ZINC001233306229 1036511935 /nfs/dbraw/zinc/51/19/35/1036511935.db2.gz JUQGEWQZMZNVRL-QLJPJBMISA-N -1 3 372.259 2.534 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](C)[C@H]2CO)c1 ZINC001233306571 1036513160 /nfs/dbraw/zinc/51/31/60/1036513160.db2.gz VIKSNZMIXUOTIQ-IINYFYTJSA-N -1 3 372.259 2.534 20 10 FFCDHM CN(Cc1c([O-])ccc(F)c1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332415 1036537545 /nfs/dbraw/zinc/53/75/45/1036537545.db2.gz KPFJSZOXWUHWKW-GFCCVEGCSA-N -1 3 372.412 2.738 20 10 FFCDHM CCN1CCC(Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229197417 1036547589 /nfs/dbraw/zinc/54/75/89/1036547589.db2.gz ORBYKSJTDOBABE-UHFFFAOYSA-N -1 3 367.401 2.736 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@](F)(CO)CC1 ZINC001235057741 1037330171 /nfs/dbraw/zinc/33/01/71/1037330171.db2.gz RUQPULJYQDBYTR-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM O=C1CCC[C@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)N1 ZINC001235062822 1037336666 /nfs/dbraw/zinc/33/66/66/1037336666.db2.gz YZTDNXIOQIMKGN-MRXNPFEDSA-N -1 3 371.250 2.929 20 10 FFCDHM O=C1CCC2(CCN(Cc3cc(F)cc(Br)c3[O-])CC2)O1 ZINC001235303486 1037463845 /nfs/dbraw/zinc/46/38/45/1037463845.db2.gz NJAPYKQBZIIBPL-UHFFFAOYSA-N -1 3 358.207 2.965 20 10 FFCDHM CN1C(=O)CCC12CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235309966 1037465828 /nfs/dbraw/zinc/46/58/28/1037465828.db2.gz ZQMAUZDYRVGIQD-UHFFFAOYSA-N -1 3 371.250 2.881 20 10 FFCDHM CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])O1 ZINC001231449499 1037588138 /nfs/dbraw/zinc/58/81/38/1037588138.db2.gz ILEYLCVYIHDLGQ-ZHALLVOQSA-N -1 3 363.454 2.885 20 10 FFCDHM CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])O1 ZINC001231449499 1037588145 /nfs/dbraw/zinc/58/81/45/1037588145.db2.gz ILEYLCVYIHDLGQ-ZHALLVOQSA-N -1 3 363.454 2.885 20 10 FFCDHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231452434 1037591112 /nfs/dbraw/zinc/59/11/12/1037591112.db2.gz PBJWYSFCQYZOJJ-UHFFFAOYSA-N -1 3 362.426 2.580 20 10 FFCDHM CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231452434 1037591118 /nfs/dbraw/zinc/59/11/18/1037591118.db2.gz PBJWYSFCQYZOJJ-UHFFFAOYSA-N -1 3 362.426 2.580 20 10 FFCDHM CO[C@@H](CN1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1)c1ccccc1 ZINC001231454121 1037595915 /nfs/dbraw/zinc/59/59/15/1037595915.db2.gz NRWRYOYSLVCNIV-FQEVSTJZSA-N -1 3 370.449 2.596 20 10 FFCDHM COC[C@@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236796812 1038277651 /nfs/dbraw/zinc/27/76/51/1038277651.db2.gz ZFKBFLPJHKAYSK-LBPRGKRZSA-N -1 3 351.834 2.534 20 10 FFCDHM COc1ccc(CN2CCN(CCc3ccccn3)CC2)c([O-])c1Cl ZINC001236814352 1038288813 /nfs/dbraw/zinc/28/88/13/1038288813.db2.gz WLEWMMRIGNYEFL-UHFFFAOYSA-N -1 3 361.873 2.810 20 10 FFCDHM CCN(C)C(=O)CO[C@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236819606 1038290471 /nfs/dbraw/zinc/29/04/71/1038290471.db2.gz XKXQLVVKAQECBX-AWEZNQCLSA-N -1 3 370.877 2.514 20 10 FFCDHM COc1cc([O-])c(CN(CCO)CC(F)(F)F)c(Br)c1 ZINC001237070259 1038433814 /nfs/dbraw/zinc/43/38/14/1038433814.db2.gz LTKJPLIATKQDGC-UHFFFAOYSA-N -1 3 358.154 2.520 20 10 FFCDHM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(Cl)c2Cl)O1 ZINC001237081618 1038438771 /nfs/dbraw/zinc/43/87/71/1038438771.db2.gz ZPGRGKFPNNKZGI-MRVWCRGKSA-N -1 3 359.253 2.519 20 10 FFCDHM COc1cc([O-])c(CN(C)Cc2ccno2)cc1I ZINC001248477029 1040293091 /nfs/dbraw/zinc/29/30/91/1040293091.db2.gz WLGDBROUEMVOCI-UHFFFAOYSA-N -1 3 374.178 2.625 20 10 FFCDHM COC(=O)CC[C@H]1COCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250136845 1041125866 /nfs/dbraw/zinc/12/58/66/1041125866.db2.gz ZBPACIDEECJOQX-ZDUSSCGKSA-N -1 3 372.259 2.617 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(C)c(Br)cc1[O-] ZINC001250135880 1041126762 /nfs/dbraw/zinc/12/67/62/1041126762.db2.gz ITUCPHUIQXFAOV-GMXABZIVSA-N -1 3 354.244 2.989 20 10 FFCDHM CCn1cc(CN(C)c2nnc(-c3sc4ncccc4c3[O-])n2C)cn1 ZINC001262926428 1041966703 /nfs/dbraw/zinc/96/67/03/1041966703.db2.gz DMPKMBGUTASDFV-UHFFFAOYSA-N -1 3 369.454 2.650 20 10 FFCDHM CC[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@H](C)O1 ZINC001262926732 1041967653 /nfs/dbraw/zinc/96/76/53/1041967653.db2.gz MIPRDKLOKYTFQW-QWRGUYRKSA-N -1 3 359.455 2.801 20 10 FFCDHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1)C1CC1 ZINC001263532023 1042357516 /nfs/dbraw/zinc/35/75/16/1042357516.db2.gz GKRJIJCLGBSIAV-NSHDSACASA-N -1 3 371.466 2.896 20 10 FFCDHM O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001279421870 1043093105 /nfs/dbraw/zinc/09/31/05/1043093105.db2.gz QULZYGGXCUIAFL-GASCZTMLSA-N -1 3 356.401 2.807 20 10 FFCDHM [O-]c1c(F)cccc1CN1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001279525106 1043223415 /nfs/dbraw/zinc/22/34/15/1043223415.db2.gz FCYVHTXGBGXSGE-OKILXGFUSA-N -1 3 362.367 2.759 20 10 FFCDHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1O ZINC001279573718 1043280353 /nfs/dbraw/zinc/28/03/53/1043280353.db2.gz XYXGQSXKDSEKRM-BETUJISGSA-N -1 3 365.886 2.975 20 10 FFCDHM COCC1CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237787504 1043358354 /nfs/dbraw/zinc/35/83/54/1043358354.db2.gz SXUIWRDOKZVQOO-UHFFFAOYSA-N -1 3 361.223 2.855 20 10 FFCDHM O=C(COC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)N1CCCC1 ZINC001237944197 1043449162 /nfs/dbraw/zinc/44/91/62/1043449162.db2.gz SXIICRKAYSLXFE-UHFFFAOYSA-N -1 3 370.852 2.788 20 10 FFCDHM O=C(Nc1cn[nH]c1)c1cc2c([nH]1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001279981551 1044029271 /nfs/dbraw/zinc/02/92/71/1044029271.db2.gz CFRHXOLRTDPKIE-UHFFFAOYSA-N -1 3 371.828 2.907 20 10 FFCDHM O=C([C@@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2)N1CC(F)(C2CC2)C1 ZINC001279983076 1044033142 /nfs/dbraw/zinc/03/31/42/1044033142.db2.gz DQQXEDGSRORCOU-HNNXBMFYSA-N -1 3 364.848 2.828 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1ccccc1OCC1CC1 ZINC001337064179 1054450916 /nfs/dbraw/zinc/45/09/16/1054450916.db2.gz IBEWEKBRWXUMJJ-UHFFFAOYSA-N -1 3 358.369 2.575 20 10 FFCDHM CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001338372260 1055456099 /nfs/dbraw/zinc/45/60/99/1055456099.db2.gz OLLOVQBBTATNRA-LBPRGKRZSA-N -1 3 362.405 2.590 20 10 FFCDHM C[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC2(CCC2)O1 ZINC001338587394 1055646792 /nfs/dbraw/zinc/64/67/92/1055646792.db2.gz BRJJWWREVVVIQF-LLVKDONJSA-N -1 3 371.466 2.945 20 10 FFCDHM CCN(C(=O)c1cccc(O)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001529351058 1062281048 /nfs/dbraw/zinc/28/10/48/1062281048.db2.gz RVXGEIHEJGVBBF-UHFFFAOYSA-N -1 3 364.442 2.959 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001471145488 1064578224 /nfs/dbraw/zinc/57/82/24/1064578224.db2.gz ROMZXENDBOFPJL-SHTZXODSSA-N -1 3 372.396 2.853 20 10 FFCDHM C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001474356655 1065501911 /nfs/dbraw/zinc/50/19/11/1065501911.db2.gz PLVXIQKASWMUJS-OAHLLOKOSA-N -1 3 365.905 2.564 20 10 FFCDHM COC[C@@]1(C(=O)OC(C)(C)C)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001474649781 1065570124 /nfs/dbraw/zinc/57/01/24/1065570124.db2.gz LGAZVPZONNDJOK-GOSISDBHSA-N -1 3 371.861 2.605 20 10 FFCDHM COC(=O)[C@]1(NC(=O)c2cccc(O)c2[O-])CC[C@H](C)c2ccccc21 ZINC001558815340 1076081528 /nfs/dbraw/zinc/08/15/28/1076081528.db2.gz JMAFPOPVABSYBU-YUNKPMOVSA-N -1 3 355.390 2.793 20 10 FFCDHM CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])C[C@@H]21 ZINC001560140632 1076234147 /nfs/dbraw/zinc/23/41/47/1076234147.db2.gz STGZCCHMKJLRFD-VNQPRFMTSA-N -1 3 351.830 2.879 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)cc1 ZINC001561085916 1076330441 /nfs/dbraw/zinc/33/04/41/1076330441.db2.gz NGZYAXXNRCLISU-QHCPKHFHSA-N -1 3 373.544 2.518 20 10 FFCDHM C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951598 1080898774 /nfs/dbraw/zinc/89/87/74/1080898774.db2.gz HTRUFAPPEWWJGG-LLVKDONJSA-N -1 3 365.393 2.641 20 10 FFCDHM C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589969766 1080912229 /nfs/dbraw/zinc/91/22/29/1080912229.db2.gz MXQZGGBGKNEDIV-SECBINFHSA-N -1 3 364.331 2.837 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974429 1080915424 /nfs/dbraw/zinc/91/54/24/1080915424.db2.gz VRCBPFGUBVIQRJ-MEBBXXQBSA-N -1 3 355.373 2.886 20 10 FFCDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2cccs2)c1[O-] ZINC000359956280 210200620 /nfs/dbraw/zinc/20/06/20/210200620.db2.gz DJUABRZWEUMMLX-AWEZNQCLSA-N -1 3 352.843 2.789 20 10 FFCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000375262182 512238673 /nfs/dbraw/zinc/23/86/73/512238673.db2.gz OXYLNOXDFMLQQO-HNNXBMFYSA-N -1 3 365.861 2.978 20 10 FFCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000055290031 506719757 /nfs/dbraw/zinc/71/97/57/506719757.db2.gz CVEDUPUHTNIWDY-UHFFFAOYSA-N -1 3 368.480 2.811 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@@H](COC(C)C)C2)c1[O-] ZINC000373488321 512357197 /nfs/dbraw/zinc/35/71/97/512357197.db2.gz COMXMSYHGSCEGI-CQSZACIVSA-N -1 3 374.275 2.789 20 10 FFCDHM CC(C)NC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000111235851 508080809 /nfs/dbraw/zinc/08/08/09/508080809.db2.gz IDWKRWXWFBRIRZ-UHFFFAOYSA-N -1 3 355.438 2.601 20 10 FFCDHM COc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c([O-])c1 ZINC000084937386 508298198 /nfs/dbraw/zinc/29/81/98/508298198.db2.gz SEQUUKUUHVWXKL-UHFFFAOYSA-N -1 3 360.385 2.511 20 10 FFCDHM CCn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000158105001 508657835 /nfs/dbraw/zinc/65/78/35/508657835.db2.gz PFOWIDBJEJGQTH-INIZCTEOSA-N -1 3 362.861 2.656 20 10 FFCDHM CCCCN(Cc1ccc(OCCC)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000160783622 509032508 /nfs/dbraw/zinc/03/25/08/509032508.db2.gz HZCHNIRQFVMIBA-MRXNPFEDSA-N -1 3 355.500 2.970 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000133361591 509151112 /nfs/dbraw/zinc/15/11/12/509151112.db2.gz ULQXBDPWXDAPBT-UHFFFAOYSA-N -1 3 352.456 2.560 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCC(=O)OC ZINC000173370900 509558262 /nfs/dbraw/zinc/55/82/62/509558262.db2.gz CETUFZKOAMEZBB-UHFFFAOYSA-N -1 3 373.247 2.639 20 10 FFCDHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000176530225 509566382 /nfs/dbraw/zinc/56/63/82/509566382.db2.gz ZXVUUTFPSZBBML-XJKSGUPXSA-N -1 3 374.462 2.782 20 10 FFCDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccc(O)c(O)c3)cc2)n1 ZINC000180978961 510218911 /nfs/dbraw/zinc/21/89/11/510218911.db2.gz UXXBQIPQMCIQST-YCRREMRBSA-N -1 3 363.373 2.808 20 10 FFCDHM Cc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c([O-])c1O ZINC000181851865 510625858 /nfs/dbraw/zinc/62/58/58/510625858.db2.gz PTSZMKXINHDTFK-UHFFFAOYSA-N -1 3 372.396 2.534 20 10 FFCDHM CC(C)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000191467971 510673699 /nfs/dbraw/zinc/67/36/99/510673699.db2.gz HOLOPIVMPLFFPH-GFCCVEGCSA-N -1 3 366.784 2.840 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000278128036 510981830 /nfs/dbraw/zinc/98/18/30/510981830.db2.gz NSOFYPRHYLUMMR-IIAWOOMASA-N -1 3 364.829 2.767 20 10 FFCDHM COc1c([O-])c(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278251233 510986547 /nfs/dbraw/zinc/98/65/47/510986547.db2.gz PDXYGGHOSXXJTL-NSHDSACASA-N -1 3 369.418 2.654 20 10 FFCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000278273990 510986839 /nfs/dbraw/zinc/98/68/39/510986839.db2.gz HUOFJYXRJOSAHJ-RYUDHWBXSA-N -1 3 350.415 2.616 20 10 FFCDHM COc1c([O-])c(CN[C@@H](C)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278636818 511001751 /nfs/dbraw/zinc/00/17/51/511001751.db2.gz HIRIEKXOGLUKHB-NSHDSACASA-N -1 3 360.366 2.931 20 10 FFCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000289575452 511105315 /nfs/dbraw/zinc/10/53/15/511105315.db2.gz JRCPNXTZHGQDGF-AWEZNQCLSA-N -1 3 367.751 2.982 20 10 FFCDHM COc1ccc(NCc2cc(F)ccc2[O-])cc1S(=O)(=O)NC1CC1 ZINC000289644253 511107802 /nfs/dbraw/zinc/10/78/02/511107802.db2.gz XQTIMIZKHKPKLT-UHFFFAOYSA-N -1 3 366.414 2.593 20 10 FFCDHM CN(C)c1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000291669247 511290492 /nfs/dbraw/zinc/29/04/92/511290492.db2.gz WECGZKXFFMYUCZ-ZDUSSCGKSA-N -1 3 361.383 2.782 20 10 FFCDHM Cc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c([O-])c1O ZINC000365261491 511349931 /nfs/dbraw/zinc/34/99/31/511349931.db2.gz LJDLYWMHVYYHOK-INIZCTEOSA-N -1 3 372.465 2.661 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c([O-])c1O ZINC000272881272 511511303 /nfs/dbraw/zinc/51/13/03/511511303.db2.gz XSWKPPGBABGKFK-UHFFFAOYSA-N -1 3 372.446 2.848 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367245 511523721 /nfs/dbraw/zinc/52/37/21/511523721.db2.gz FHUUHHHAVJSTAY-KBPBESRZSA-N -1 3 356.422 2.534 20 10 FFCDHM COc1cc(Cl)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-] ZINC000273737794 511592381 /nfs/dbraw/zinc/59/23/81/511592381.db2.gz LGXUCUDKECWXGO-UHFFFAOYSA-N -1 3 362.739 2.680 20 10 FFCDHM CCc1cc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)ccc1[O-] ZINC000292772511 511714270 /nfs/dbraw/zinc/71/42/70/511714270.db2.gz GNSVSFDGSHIPJO-UHFFFAOYSA-N -1 3 367.449 2.875 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000281256954 511776597 /nfs/dbraw/zinc/77/65/97/511776597.db2.gz QNWXVANQFVKAKQ-RYUDHWBXSA-N -1 3 367.829 2.553 20 10 FFCDHM Cc1cc(Br)cc([C@@H](C)N[C@@H](C(N)=O)c2ccccn2)c1[O-] ZINC000296633374 511829905 /nfs/dbraw/zinc/82/99/05/511829905.db2.gz BLTLWVRWYYWBHR-QMTHXVAHSA-N -1 3 364.243 2.735 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000364094972 511955479 /nfs/dbraw/zinc/95/54/79/511955479.db2.gz HQJJJBAUMBUFCQ-XJKSGUPXSA-N -1 3 354.244 2.930 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCC(C)(C)O ZINC000274921256 511987491 /nfs/dbraw/zinc/98/74/91/511987491.db2.gz JBHRULXRYDAROD-UHFFFAOYSA-N -1 3 359.264 2.847 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000282025766 512050259 /nfs/dbraw/zinc/05/02/59/512050259.db2.gz UTDSGIIRRVBGBB-CYBMUJFWSA-N -1 3 364.442 2.865 20 10 FFCDHM COc1c([O-])c(CN[C@H]2CCN(C(C)=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000368468694 512962463 /nfs/dbraw/zinc/96/24/63/512962463.db2.gz GCDHPSPOFMEXMK-HNNXBMFYSA-N -1 3 371.393 2.897 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000530207285 517631267 /nfs/dbraw/zinc/63/12/67/517631267.db2.gz FNXWABUQNOSQCF-IDYSPNNHSA-N -1 3 352.818 2.622 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000528282730 518163647 /nfs/dbraw/zinc/16/36/47/518163647.db2.gz RONKZWBGGAMDFM-LFNDISMMSA-N -1 3 357.248 2.766 20 10 FFCDHM COc1ccc(N2CCCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737099601 598240517 /nfs/dbraw/zinc/24/05/17/598240517.db2.gz NNAPSRYUOPYNEQ-UHFFFAOYSA-N -1 3 368.416 2.731 20 10 FFCDHM Oc1ccccc1CN(Cc1ccco1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000823733398 607386532 /nfs/dbraw/zinc/38/65/32/607386532.db2.gz WNJLQMIUCVBVPH-UHFFFAOYSA-N -1 3 351.366 2.961 20 10 FFCDHM Oc1ccccc1CN(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000823733398 607386534 /nfs/dbraw/zinc/38/65/34/607386534.db2.gz WNJLQMIUCVBVPH-UHFFFAOYSA-N -1 3 351.366 2.961 20 10 FFCDHM COc1ccc(N(C)CCCOc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826209273 607753886 /nfs/dbraw/zinc/75/38/86/607753886.db2.gz USRPCSFYVRYRFH-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM Fc1cc(NNC(=S)Nc2ccccc2-c2nnn[n-]2)cc(F)c1F ZINC000822753176 606168190 /nfs/dbraw/zinc/16/81/90/606168190.db2.gz HPXUKTHWUFOKEC-UHFFFAOYSA-N -1 3 365.344 2.598 20 10 FFCDHM Fc1cc(NNC(=S)Nc2ccccc2-c2nn[n-]n2)cc(F)c1F ZINC000822753176 606168192 /nfs/dbraw/zinc/16/81/92/606168192.db2.gz HPXUKTHWUFOKEC-UHFFFAOYSA-N -1 3 365.344 2.598 20 10 FFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821827802 606888060 /nfs/dbraw/zinc/88/80/60/606888060.db2.gz JOFZIJNISQWDKN-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821827802 606888061 /nfs/dbraw/zinc/88/80/61/606888061.db2.gz JOFZIJNISQWDKN-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM C[C@H](CCc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055113121 728094936 /nfs/dbraw/zinc/09/49/36/728094936.db2.gz IRKGZEQCJJTBLY-CYBMUJFWSA-N -1 3 362.451 2.515 20 10 FFCDHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092228134 728465426 /nfs/dbraw/zinc/46/54/26/728465426.db2.gz PEEZDPTUVCGZQO-RISCZKNCSA-N -1 3 354.472 2.708 20 10 FFCDHM C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093077825 728473677 /nfs/dbraw/zinc/47/36/77/728473677.db2.gz YTQIBJHSHLYLQM-CQSZACIVSA-N -1 3 365.905 2.611 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(CO)ccc1F ZINC000859188722 730444691 /nfs/dbraw/zinc/44/46/91/730444691.db2.gz AKFFRESZADGGJT-UHFFFAOYSA-N -1 3 367.804 2.852 20 10 FFCDHM COC(=O)[C@@H](CC(F)(F)F)NCc1c([O-])cccc1Br ZINC000862339476 730690153 /nfs/dbraw/zinc/69/01/53/730690153.db2.gz VQZDTIZTHBHBIN-SECBINFHSA-N -1 3 356.138 2.738 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863739256 730805557 /nfs/dbraw/zinc/80/55/57/730805557.db2.gz JOVGWXHJFXXDGS-JOYOIKCWSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863739256 730805558 /nfs/dbraw/zinc/80/55/58/730805558.db2.gz JOVGWXHJFXXDGS-JOYOIKCWSA-N -1 3 358.232 2.706 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2c(Br)cnn2C)c1 ZINC000866431491 731059786 /nfs/dbraw/zinc/05/97/86/731059786.db2.gz UKSOGUACQWIPMV-VIFPVBQESA-N -1 3 368.231 2.526 20 10 FFCDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC000876753077 732276853 /nfs/dbraw/zinc/27/68/53/732276853.db2.gz IDJUTOYTICGQCL-LLVKDONJSA-N -1 3 350.325 2.660 20 10 FFCDHM O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000781920044 738672668 /nfs/dbraw/zinc/67/26/68/738672668.db2.gz ICFGMQNIAKKWAL-AWEZNQCLSA-N -1 3 372.918 2.872 20 10 FFCDHM CSCc1nnc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])[n-]1 ZINC000886757310 733826432 /nfs/dbraw/zinc/82/64/32/733826432.db2.gz CEVKVDVFCBBKDO-QMMMGPOBSA-N -1 3 357.277 2.987 20 10 FFCDHM O=C(NCc1cccc(Cl)c1[O-])C1CCC(N2CCOCC2)CC1 ZINC000890763614 734337050 /nfs/dbraw/zinc/33/70/50/734337050.db2.gz YYRIGGZROYEPKX-UHFFFAOYSA-N -1 3 352.862 2.553 20 10 FFCDHM COC(=O)[C@H](CC1CCOCC1)NCc1ccc(Br)cc1[O-] ZINC000895590580 735028156 /nfs/dbraw/zinc/02/81/56/735028156.db2.gz HHQHAEUUCWKFTO-AWEZNQCLSA-N -1 3 372.259 2.603 20 10 FFCDHM CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895864527 735066540 /nfs/dbraw/zinc/06/65/40/735066540.db2.gz PBVINXWJVLCVRY-KGLIPLIRSA-N -1 3 372.259 2.745 20 10 FFCDHM CCNS(=O)(=O)c1cccc(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000903232570 736062804 /nfs/dbraw/zinc/06/28/04/736062804.db2.gz AZEYATYBFCTMPF-GFCCVEGCSA-N -1 3 352.431 2.680 20 10 FFCDHM CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000754153870 736131290 /nfs/dbraw/zinc/13/12/90/736131290.db2.gz JWIWUPYFVMGHGB-WNSKOXEYSA-N -1 3 353.875 2.568 20 10 FFCDHM COc1ccc(CNC(=O)CN[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756478004 736334940 /nfs/dbraw/zinc/33/49/40/736334940.db2.gz BPOYWEWKSHHROQ-LLVKDONJSA-N -1 3 350.365 2.646 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC(=O)CC1 ZINC000761982928 736779319 /nfs/dbraw/zinc/77/93/19/736779319.db2.gz OEROTGASLGQIHU-MRXNPFEDSA-N -1 3 364.873 2.886 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(O[C@@H]3CCOC3)CC2)c1[O-] ZINC000769526335 737539314 /nfs/dbraw/zinc/53/93/14/737539314.db2.gz KHSVPQVVZUBODT-CQSZACIVSA-N -1 3 356.806 2.724 20 10 FFCDHM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NCc1c([O-])cccc1F ZINC000921841339 738053426 /nfs/dbraw/zinc/05/34/26/738053426.db2.gz SSCBSAGIHUIJJS-LLVKDONJSA-N -1 3 355.410 2.634 20 10 FFCDHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789946858 739399144 /nfs/dbraw/zinc/39/91/44/739399144.db2.gz MUPVAQJARBBMAL-LBPRGKRZSA-N -1 3 350.415 2.865 20 10 FFCDHM CNC(=O)COc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790948497 739517915 /nfs/dbraw/zinc/51/79/15/739517915.db2.gz JRJOUEYCFVSTSZ-UHFFFAOYSA-N -1 3 352.793 2.599 20 10 FFCDHM CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000793608998 739799263 /nfs/dbraw/zinc/79/92/63/739799263.db2.gz MKSHJVKDNDESTQ-UHFFFAOYSA-N -1 3 366.870 2.512 20 10 FFCDHM O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cccc(O)c1[O-] ZINC000797782055 740272981 /nfs/dbraw/zinc/27/29/81/740272981.db2.gz MZUPTWKAELASFN-UHFFFAOYSA-N -1 3 362.813 2.836 20 10 FFCDHM Cc1nccnc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000799735634 740446359 /nfs/dbraw/zinc/44/63/59/740446359.db2.gz BWPCPWODRRWQMP-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(O)c1 ZINC000802642776 740713961 /nfs/dbraw/zinc/71/39/61/740713961.db2.gz FBZUQKUQCMNENR-UHFFFAOYSA-N -1 3 366.439 2.783 20 10 FFCDHM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809708817 741334726 /nfs/dbraw/zinc/33/47/26/741334726.db2.gz HZXRSNLOOILSME-CABCVRRESA-N -1 3 368.861 2.915 20 10 FFCDHM CNC(=O)OC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809779375 741342892 /nfs/dbraw/zinc/34/28/92/741342892.db2.gz LBBBFOYKIKFGCV-GFCCVEGCSA-N -1 3 357.248 2.865 20 10 FFCDHM CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000813773388 741762419 /nfs/dbraw/zinc/76/24/19/741762419.db2.gz RYBTXDMZSGIWPQ-UHFFFAOYSA-N -1 3 364.423 2.956 20 10 FFCDHM C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000816796058 742062170 /nfs/dbraw/zinc/06/21/70/742062170.db2.gz VGPRFFABMVECKZ-GFCCVEGCSA-N -1 3 352.431 2.911 20 10 FFCDHM CCOC(=O)CN(Cc1ccccc1O)Cc1c(F)ccc([O-])c1F ZINC000822511602 742747021 /nfs/dbraw/zinc/74/70/21/742747021.db2.gz JZNVDFCOJQUMQH-UHFFFAOYSA-N -1 3 351.349 2.941 20 10 FFCDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000824849718 743163144 /nfs/dbraw/zinc/16/31/44/743163144.db2.gz HDQASBKWJPVOFB-AWEZNQCLSA-N -1 3 372.259 2.697 20 10 FFCDHM Cc1cc([O-])c(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1Cl ZINC000824870045 743167881 /nfs/dbraw/zinc/16/78/81/743167881.db2.gz LTNZGSYMVGXHSC-INIZCTEOSA-N -1 3 366.889 2.957 20 10 FFCDHM O=S1(=O)CCCN1Cc1cccc(NCc2cccc(F)c2[O-])c1 ZINC000826827945 743451501 /nfs/dbraw/zinc/45/15/01/743451501.db2.gz JJNUSJZPJCLZLA-UHFFFAOYSA-N -1 3 350.415 2.679 20 10 FFCDHM C[C@@H]1CCC[C@H](C2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000829130920 745170435 /nfs/dbraw/zinc/17/04/35/745170435.db2.gz RVVRNRFTFHTQNY-OLZOCXBDSA-N -1 3 366.483 2.662 20 10 FFCDHM CCNS(=O)(=O)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000839147972 746788378 /nfs/dbraw/zinc/78/83/78/746788378.db2.gz CUPJHNFISGPKIV-UHFFFAOYSA-N -1 3 372.849 2.773 20 10 FFCDHM CC1(C)C(=O)N[C@H]1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000848918594 749033884 /nfs/dbraw/zinc/03/38/84/749033884.db2.gz FEHHFLLPHIMSPD-HNNXBMFYSA-N -1 3 367.833 2.690 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000852696194 749927455 /nfs/dbraw/zinc/92/74/55/749927455.db2.gz WEPDTGAIRJTQGE-CYBMUJFWSA-N -1 3 352.862 2.985 20 10 FFCDHM COc1cc(N(C)Cc2ccc(F)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000737054526 944939015 /nfs/dbraw/zinc/93/90/15/944939015.db2.gz RZCGJAPHGBSNRO-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM COc1cc(N(C)Cc2ccc(F)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000737054526 944939029 /nfs/dbraw/zinc/93/90/29/944939029.db2.gz RZCGJAPHGBSNRO-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM Cc1ccnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826312181 947905597 /nfs/dbraw/zinc/90/55/97/947905597.db2.gz XPVWVJJPUMKPOH-AWEZNQCLSA-N -1 3 365.441 2.580 20 10 FFCDHM Cc1ccnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826312181 947905607 /nfs/dbraw/zinc/90/56/07/947905607.db2.gz XPVWVJJPUMKPOH-AWEZNQCLSA-N -1 3 365.441 2.580 20 10 FFCDHM CC(C)=CCN1C[C@]2(CC1=O)COCCN(Cc1c([O-])cccc1F)C2 ZINC001276031754 1013297556 /nfs/dbraw/zinc/29/75/56/1013297556.db2.gz NNUSUAWQLAAFNG-HXUWFJFHSA-N -1 3 362.445 2.548 20 10 FFCDHM CCOC(=O)c1nc([C@@H](C)NCc2ccc(N(CC)CC)c(F)c2)n[n-]1 ZINC000895235906 968622551 /nfs/dbraw/zinc/62/25/51/968622551.db2.gz OUALQTOHARZOIP-GFCCVEGCSA-N -1 3 363.437 2.818 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000177282024 969159081 /nfs/dbraw/zinc/15/90/81/969159081.db2.gz CAXOUEMRQDPMJN-SFHVURJKSA-N -1 3 356.397 2.971 20 10 FFCDHM CN1CCc2[nH]c3ccc(C(=O)NCc4c([O-])cccc4F)cc3c2C1 ZINC000928705102 974292031 /nfs/dbraw/zinc/29/20/31/974292031.db2.gz DZMXAAROCXSHHZ-UHFFFAOYSA-N -1 3 353.397 2.931 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1cccc(Cl)c1 ZINC000898740858 976660104 /nfs/dbraw/zinc/66/01/04/976660104.db2.gz UYVVWXUXUCFHBH-CQSZACIVSA-N -1 3 372.856 2.989 20 10 FFCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142530387 982612483 /nfs/dbraw/zinc/61/24/83/982612483.db2.gz GVSZUCNUFFMYRA-HNNXBMFYSA-N -1 3 362.376 2.813 20 10 FFCDHM N[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@@H]1F ZINC001204892354 983028207 /nfs/dbraw/zinc/02/82/07/983028207.db2.gz YDGJHKKDIVUBLE-UWVGGRQHSA-N -1 3 357.145 2.655 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cccc(F)c3)C(=O)C2)c1[O-] ZINC000765062634 984955516 /nfs/dbraw/zinc/95/55/16/984955516.db2.gz LLOLOWLAAYWHKC-UHFFFAOYSA-N -1 3 360.360 2.722 20 10 FFCDHM O=C(NCc1nccn1CCCc1ccccc1)c1cccc(O)c1[O-] ZINC000187175414 991183054 /nfs/dbraw/zinc/18/30/54/991183054.db2.gz VSDRLBRCJIYFFO-UHFFFAOYSA-N -1 3 351.406 2.857 20 10 FFCDHM COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001598879054 996788955 /nfs/dbraw/zinc/78/89/55/996788955.db2.gz FVHGOZUTIWMBKK-OBJOEFQTSA-N -1 3 350.415 2.608 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(N2CC(F)C2)CC1 ZINC001144306822 998301057 /nfs/dbraw/zinc/30/10/57/998301057.db2.gz RUXSUSWYGAHGOB-UHFFFAOYSA-N -1 3 361.230 2.912 20 10 FFCDHM Cc1ccc([C@@H]2CCCN2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846234687 1000239800 /nfs/dbraw/zinc/23/98/00/1000239800.db2.gz VWZAOEZMUIKMFK-INIZCTEOSA-N -1 3 352.394 2.779 20 10 FFCDHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)[NH2+]Cc2cccc(F)c2[O-])n1 ZINC001182653189 1002002286 /nfs/dbraw/zinc/00/22/86/1002002286.db2.gz GOHADPQBCSQSLC-ZDUSSCGKSA-N -1 3 350.394 2.703 20 10 FFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790619455 1002448714 /nfs/dbraw/zinc/44/87/14/1002448714.db2.gz FFOYDDFXSQOCFA-CHWSQXEVSA-N -1 3 364.442 2.863 20 10 FFCDHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(OC)c1 ZINC000827012347 1016623853 /nfs/dbraw/zinc/62/38/53/1016623853.db2.gz WOMAORDGDLNEDY-OAHLLOKOSA-N -1 3 362.382 2.795 20 10 FFCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OC[C@H]2CCCO2)c1 ZINC000790875867 1002507324 /nfs/dbraw/zinc/50/73/24/1002507324.db2.gz FKZJXBCLIMINCB-OAHLLOKOSA-N -1 3 357.406 2.894 20 10 FFCDHM O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000790894363 1002510179 /nfs/dbraw/zinc/51/01/79/1002510179.db2.gz LDRMLAUZVGJLCV-LBPRGKRZSA-N -1 3 369.339 2.698 20 10 FFCDHM COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000775095093 1003592946 /nfs/dbraw/zinc/59/29/46/1003592946.db2.gz ARBNSQXIJNVUDH-UHFFFAOYSA-N -1 3 362.338 2.716 20 10 FFCDHM COC(=O)c1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001193411220 1004481292 /nfs/dbraw/zinc/48/12/92/1004481292.db2.gz MTMVADSTIDCSNA-UHFFFAOYSA-N -1 3 371.780 2.705 20 10 FFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c(C)cc1O ZINC001195377276 1004955564 /nfs/dbraw/zinc/95/55/64/1004955564.db2.gz FDXOOKYELWNHKC-UHFFFAOYSA-N -1 3 365.407 2.610 20 10 FFCDHM O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1cccc(O)c1[O-] ZINC000882831365 1006526546 /nfs/dbraw/zinc/52/65/46/1006526546.db2.gz GBFDAYPXVWOAIY-HNNXBMFYSA-N -1 3 355.390 2.901 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000855039031 1007078648 /nfs/dbraw/zinc/07/86/48/1007078648.db2.gz FAFAPVYTPPEVHQ-KBPBESRZSA-N -1 3 362.426 2.664 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCCCC3)C2)c1 ZINC000855635783 1007474982 /nfs/dbraw/zinc/47/49/82/1007474982.db2.gz DMCAIQRUVPONLI-CQSZACIVSA-N -1 3 366.483 2.806 20 10 FFCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817993524 1007839899 /nfs/dbraw/zinc/83/98/99/1007839899.db2.gz LPWWOKBHWGJTQZ-SFHVURJKSA-N -1 3 369.465 2.862 20 10 FFCDHM COc1ccc(CN2CC[C@H](N[C@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886547722 1008731765 /nfs/dbraw/zinc/73/17/65/1008731765.db2.gz QMJOBQWEJZDMRE-DYVFJYSZSA-N -1 3 358.413 2.992 20 10 FFCDHM O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)NCc1c([O-])cccc1F ZINC000924042122 1017102725 /nfs/dbraw/zinc/10/27/25/1017102725.db2.gz CPBGTXGGLCNPGR-AWEZNQCLSA-N -1 3 366.433 2.696 20 10 FFCDHM Cc1nn(C)c(C)c1[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000930687877 1020135442 /nfs/dbraw/zinc/13/54/42/1020135442.db2.gz WKRWFFGPEDGACO-CQSZACIVSA-N -1 3 374.338 2.984 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N3CCOCC3)cn2)c1 ZINC000756802027 1023755780 /nfs/dbraw/zinc/75/57/80/1023755780.db2.gz OYRCUMIDEPEEBW-CYBMUJFWSA-N -1 3 357.410 2.584 20 10 FFCDHM C[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@H](C2CC2)O1 ZINC001121460954 1023791214 /nfs/dbraw/zinc/79/12/14/1023791214.db2.gz RHQXKAVLZGKINP-GXFFZTMASA-N -1 3 371.466 2.801 20 10 FFCDHM [O-]c1cccc(F)c1CN1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001137837355 1033178399 /nfs/dbraw/zinc/17/83/99/1033178399.db2.gz CJPQOIJUAZXEQY-HNNXBMFYSA-N -1 3 368.412 2.834 20 10 FFCDHM O=C1[C@@H]2CCCN(Cc3c([O-])cccc3F)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001137838823 1033181626 /nfs/dbraw/zinc/18/16/26/1033181626.db2.gz LFFXEKKPQQNLCU-BEFAXECRSA-N -1 3 368.408 2.681 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000839916950 1026865389 /nfs/dbraw/zinc/86/53/89/1026865389.db2.gz XIUKZGZCLWRNRM-CQSZACIVSA-N -1 3 370.497 2.853 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c([O-])c1O ZINC000780858292 1028833182 /nfs/dbraw/zinc/83/31/82/1028833182.db2.gz BVVKUNLMAIITNJ-CYBMUJFWSA-N -1 3 370.405 2.567 20 10 FFCDHM Cn1c(C(F)(F)F)nc2cncc(C(=O)NCc3c([O-])cccc3F)c21 ZINC001156171230 1029073796 /nfs/dbraw/zinc/07/37/96/1029073796.db2.gz YLBFPMNIEIBFBQ-UHFFFAOYSA-N -1 3 368.290 2.762 20 10 FFCDHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1O ZINC000827969569 1030291951 /nfs/dbraw/zinc/29/19/51/1030291951.db2.gz OYYYQHKFMCRJJC-BBRMVZONSA-N -1 3 354.406 2.580 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@@H]2c2ccccc2F)c1[O-] ZINC000784519562 1030662572 /nfs/dbraw/zinc/66/25/72/1030662572.db2.gz UZWKWGJNOBUBEK-KRWDZBQOSA-N -1 3 360.360 2.546 20 10 FFCDHM COC[C@H]1CN(Cc2cc(Br)ccc2[O-])Cc2ncn(C)c21 ZINC001203640055 1030801924 /nfs/dbraw/zinc/80/19/24/1030801924.db2.gz PSGNLSZJOLPBJI-GFCCVEGCSA-N -1 3 366.259 2.634 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@@H](C1)O2 ZINC001203651756 1030804840 /nfs/dbraw/zinc/80/48/40/1030804840.db2.gz UATJFKHTYGIRIC-GASCZTMLSA-N -1 3 368.861 2.866 20 10 FFCDHM Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203656119 1030808741 /nfs/dbraw/zinc/80/87/41/1030808741.db2.gz ILLPXKADNJUDDK-UHFFFAOYSA-N -1 3 374.872 2.573 20 10 FFCDHM Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2c(F)ccc(F)c2[O-])n1 ZINC001139681675 1035196648 /nfs/dbraw/zinc/19/66/48/1035196648.db2.gz AYZIKXLIVZJSOH-ZWKOTPCHSA-N -1 3 373.403 2.749 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3c([O-])cccc3Cl)C[C@@H](C1)O2 ZINC001140339503 1035443730 /nfs/dbraw/zinc/44/37/30/1035443730.db2.gz VQEXGHMYVUWGEK-BETUJISGSA-N -1 3 368.861 2.866 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1 ZINC000834899315 1035471472 /nfs/dbraw/zinc/47/14/72/1035471472.db2.gz UVLFUVRCLPJDNB-ZMZPIMSZSA-N -1 3 356.378 2.577 20 10 FFCDHM CC(C)(C)OC(=O)N1CCOC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140463258 1035484866 /nfs/dbraw/zinc/48/48/66/1035484866.db2.gz YDUGWDAZPRHOGI-UHFFFAOYSA-N -1 3 368.861 2.867 20 10 FFCDHM O=C(c1cccnc1)N1CCC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140465157 1035485209 /nfs/dbraw/zinc/48/52/09/1035485209.db2.gz JSSHIFPATQDIHZ-UHFFFAOYSA-N -1 3 357.841 2.789 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)c([O-])cc1O ZINC001232257499 1035529599 /nfs/dbraw/zinc/52/95/99/1035529599.db2.gz FWHHPTMIFOEJPV-RYUDHWBXSA-N -1 3 354.834 2.945 20 10 FFCDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@](O)(CF)CC1 ZINC001233026938 1036263581 /nfs/dbraw/zinc/26/35/81/1036263581.db2.gz IMTQNAWLFHOJJP-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001233307756 1036511868 /nfs/dbraw/zinc/51/18/68/1036511868.db2.gz PMQKHHGKPVTTCQ-XHVZSJERSA-N -1 3 358.207 2.874 20 10 FFCDHM O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333908 1036541108 /nfs/dbraw/zinc/54/11/08/1036541108.db2.gz MAVOLPLZEAEWLX-MGPUTAFESA-N -1 3 373.403 2.594 20 10 FFCDHM C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ncccn1 ZINC001234747702 1037164186 /nfs/dbraw/zinc/16/41/86/1037164186.db2.gz VDPIBGFTZPIGNH-SECBINFHSA-N -1 3 366.329 2.993 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCOC[C@@H]3F)c12 ZINC001234754189 1037169923 /nfs/dbraw/zinc/16/99/23/1037169923.db2.gz VMBPKQXALKHQGE-GWCFXTLKSA-N -1 3 362.309 2.569 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(N2CC(F)C2)CC1 ZINC001235069318 1037339924 /nfs/dbraw/zinc/33/99/24/1037339924.db2.gz QHWGFNKTVJTHFX-UHFFFAOYSA-N -1 3 361.230 2.912 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@H]21 ZINC001235074076 1037342987 /nfs/dbraw/zinc/34/29/87/1037342987.db2.gz DTTUGOHLJVBAGM-IINYFYTJSA-N -1 3 371.250 2.737 20 10 FFCDHM COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300917 1037462562 /nfs/dbraw/zinc/46/25/62/1037462562.db2.gz AVJLJUIWBOUHOI-MWLCHTKSSA-N -1 3 360.223 2.925 20 10 FFCDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447977 1037584781 /nfs/dbraw/zinc/58/47/81/1037584781.db2.gz ZKDXKPRRBXUKJG-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447977 1037584789 /nfs/dbraw/zinc/58/47/89/1037584789.db2.gz ZKDXKPRRBXUKJG-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c([O-])c1 ZINC001231450346 1037588180 /nfs/dbraw/zinc/58/81/80/1037588180.db2.gz DWMYHAMCBIVROT-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c([O-])c1 ZINC001231450346 1037588191 /nfs/dbraw/zinc/58/81/91/1037588191.db2.gz DWMYHAMCBIVROT-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450876 1037589146 /nfs/dbraw/zinc/58/91/46/1037589146.db2.gz WPKUCFJVLQMOPQ-UHFFFAOYSA-N -1 3 362.426 2.533 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450876 1037589151 /nfs/dbraw/zinc/58/91/51/1037589151.db2.gz WPKUCFJVLQMOPQ-UHFFFAOYSA-N -1 3 362.426 2.533 20 10 FFCDHM CO[C@H](CN1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1)c1ccccc1 ZINC001231454123 1037593948 /nfs/dbraw/zinc/59/39/48/1037593948.db2.gz NRWRYOYSLVCNIV-HXUWFJFHSA-N -1 3 370.449 2.596 20 10 FFCDHM CCn1nnc2c1[C@H](COC)CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231866704 1037961530 /nfs/dbraw/zinc/96/15/30/1037961530.db2.gz BVNQRFYXMQMXIX-ZDUSSCGKSA-N -1 3 350.850 2.711 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2nnn(C)c21 ZINC001231867549 1037966161 /nfs/dbraw/zinc/96/61/61/1037966161.db2.gz OKVGGGIGJYVESK-CYBMUJFWSA-N -1 3 350.850 2.618 20 10 FFCDHM O=C(C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1)N1CCOCC1 ZINC001236795973 1038274579 /nfs/dbraw/zinc/27/45/79/1038274579.db2.gz LVWRIYMVHOIOEP-UHFFFAOYSA-N -1 3 373.280 2.770 20 10 FFCDHM CCOCc1nnn2c1CN(Cc1c([O-])cc(OC)cc1Cl)CCC2 ZINC001236797981 1038277558 /nfs/dbraw/zinc/27/75/58/1038277558.db2.gz RGXCVEHWBNMNTJ-UHFFFAOYSA-N -1 3 366.849 2.588 20 10 FFCDHM COC(=O)[C@@]1(C)CCCN1Cc1c([O-])cc(OC)cc1Br ZINC001237065823 1038431905 /nfs/dbraw/zinc/43/19/05/1038431905.db2.gz SDEYDQRZHCQDJQ-OAHLLOKOSA-N -1 3 358.232 2.691 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c([O-])c1 ZINC001276606179 1038623573 /nfs/dbraw/zinc/62/35/73/1038623573.db2.gz WAKLVILLAPPNEW-IAGOWNOFSA-N -1 3 358.438 2.598 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c([O-])c1 ZINC001276606179 1038623577 /nfs/dbraw/zinc/62/35/77/1038623577.db2.gz WAKLVILLAPPNEW-IAGOWNOFSA-N -1 3 358.438 2.598 20 10 FFCDHM O=C1c2ccccc2C(=O)c2cc(NC[C@@H](O)C(F)(F)F)c([O-])cc21 ZINC001250981450 1038872561 /nfs/dbraw/zinc/87/25/61/1038872561.db2.gz QZAPGIPBUYGKHU-CQSZACIVSA-N -1 3 351.280 2.503 20 10 FFCDHM COC(=O)[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CCN1C ZINC001248884995 1040493181 /nfs/dbraw/zinc/49/31/81/1040493181.db2.gz HVVUMUHDBGBHGN-OAHLLOKOSA-N -1 3 354.878 2.632 20 10 FFCDHM COc1ncnc2c1CCN(Cc1cc(C)c(Br)cc1[O-])C2 ZINC001250128801 1041123788 /nfs/dbraw/zinc/12/37/88/1041123788.db2.gz KOCFVFPJOIXICS-UHFFFAOYSA-N -1 3 364.243 2.820 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001278564756 1041187282 /nfs/dbraw/zinc/18/72/82/1041187282.db2.gz AVIBHJUHOFZZOD-UHFFFAOYSA-N -1 3 362.271 2.943 20 10 FFCDHM Cc1cc([O-])c(CN2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc1Br ZINC001237683599 1043310233 /nfs/dbraw/zinc/31/02/33/1043310233.db2.gz CWXQOCQWLNORAP-BETUJISGSA-N -1 3 369.303 2.757 20 10 FFCDHM COc1cc([O-])c(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(Cl)c1 ZINC001279666275 1043432433 /nfs/dbraw/zinc/43/24/33/1043432433.db2.gz ZMNMIEFRJFWCOS-GASCZTMLSA-N -1 3 366.889 2.882 20 10 FFCDHM Cc1ccc(CN2CCCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC001330529293 1049192063 /nfs/dbraw/zinc/19/20/63/1049192063.db2.gz QXXUUPMONBNDCR-UHFFFAOYSA-N -1 3 358.413 2.893 20 10 FFCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001296246068 1050041104 /nfs/dbraw/zinc/04/11/04/1050041104.db2.gz JYBHMJPXAMBXOR-VIFPVBQESA-N -1 3 374.343 2.579 20 10 FFCDHM CCOc1nnc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[n-]1 ZINC001302692133 1051172253 /nfs/dbraw/zinc/17/22/53/1051172253.db2.gz XAQAYFUWYDMTJW-UHFFFAOYSA-N -1 3 357.414 2.674 20 10 FFCDHM CCOc1nc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n[n-]1 ZINC001302692133 1051172257 /nfs/dbraw/zinc/17/22/57/1051172257.db2.gz XAQAYFUWYDMTJW-UHFFFAOYSA-N -1 3 357.414 2.674 20 10 FFCDHM CCOc1n[n-]c(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1 ZINC001302692133 1051172264 /nfs/dbraw/zinc/17/22/64/1051172264.db2.gz XAQAYFUWYDMTJW-UHFFFAOYSA-N -1 3 357.414 2.674 20 10 FFCDHM Cc1c(Br)c(C(=O)[N-]c2c3nonc3ccc2Cl)nn1C ZINC001543806159 1071548966 /nfs/dbraw/zinc/54/89/66/1071548966.db2.gz UMDPGXMNAMEUKH-UHFFFAOYSA-N -1 3 370.594 2.933 20 10 FFCDHM CC(C)(CO)c1nc2cc(C(=O)NCc3c([O-])cccc3F)ccc2[nH]1 ZINC001350610857 1055863168 /nfs/dbraw/zinc/86/31/68/1055863168.db2.gz QAAMAQCQCIGKEW-UHFFFAOYSA-N -1 3 357.385 2.608 20 10 FFCDHM CO[C@@]1(C)CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001355801992 1060603858 /nfs/dbraw/zinc/60/38/58/1060603858.db2.gz VRDXOOJYRKIBBQ-KRWDZBQOSA-N -1 3 359.455 2.803 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1csc(-c2ccccc2)n1 ZINC001463924806 1062335009 /nfs/dbraw/zinc/33/50/09/1062335009.db2.gz ZNDAULNSHBLJKL-UHFFFAOYSA-N -1 3 362.432 2.700 20 10 FFCDHM O=C(NCc1cc(Cl)ccc1O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001582544726 1079061128 /nfs/dbraw/zinc/06/11/28/1079061128.db2.gz HSPSTDUETNQSPK-UHFFFAOYSA-N -1 3 369.812 2.574 20 10 FFCDHM Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2c([O-])cccc2F)c1 ZINC001558454195 1076009270 /nfs/dbraw/zinc/00/92/70/1076009270.db2.gz BACUUKOEXUKSIZ-QGZVFWFLSA-N -1 3 356.397 2.761 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001558454242 1076009363 /nfs/dbraw/zinc/00/93/63/1076009363.db2.gz CHGHPOUMYUXPIU-UHFFFAOYSA-N -1 3 354.263 2.751 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2cccc(Br)c2)c1 ZINC001560395861 1076270407 /nfs/dbraw/zinc/27/04/07/1076270407.db2.gz CUPVEABJRRSTEJ-CQSZACIVSA-N -1 3 367.199 2.886 20 10 FFCDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001589897842 1080846144 /nfs/dbraw/zinc/84/61/44/1080846144.db2.gz OMVPYIJUSDNOJU-OLZOCXBDSA-N -1 3 351.410 2.628 20 10 FFCDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001589897842 1080846147 /nfs/dbraw/zinc/84/61/47/1080846147.db2.gz OMVPYIJUSDNOJU-OLZOCXBDSA-N -1 3 351.410 2.628 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953362 1080900394 /nfs/dbraw/zinc/90/03/94/1080900394.db2.gz FNPXASHEQRHILA-QWHCGFSZSA-N -1 3 368.416 2.641 20 10 FFCDHM C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589968917 1080910832 /nfs/dbraw/zinc/91/08/32/1080910832.db2.gz HUQXNPNHPNQJTR-GFCCVEGCSA-N -1 3 367.409 2.584 20 10 FFCDHM CCOCCO[C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175843914 510819838 /nfs/dbraw/zinc/81/98/38/510819838.db2.gz CVFPMAHLIIXGTD-GFCCVEGCSA-N -1 3 374.275 2.945 20 10 FFCDHM CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(Br)ccc1[O-])CC2 ZINC000093613082 508149837 /nfs/dbraw/zinc/14/98/37/508149837.db2.gz BDGMETXGKCYEMG-HOTGVXAUSA-N -1 3 370.287 2.907 20 10 FFCDHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(Br)ccc1[O-])CC2 ZINC000093613083 508149869 /nfs/dbraw/zinc/14/98/69/508149869.db2.gz BDGMETXGKCYEMG-HZPDHXFCSA-N -1 3 370.287 2.907 20 10 FFCDHM C[C@H](c1ccco1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000094038387 508164541 /nfs/dbraw/zinc/16/45/41/508164541.db2.gz XSZFEVPIVIOKNC-LLVKDONJSA-N -1 3 364.423 2.723 20 10 FFCDHM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000094122318 508169628 /nfs/dbraw/zinc/16/96/28/508169628.db2.gz QTSDOVQGGCLQIK-NEPJUHHUSA-N -1 3 354.472 2.803 20 10 FFCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c([O-])c1O ZINC000375582540 512405660 /nfs/dbraw/zinc/40/56/60/512405660.db2.gz GPDGZLCGWLLHBV-HNNXBMFYSA-N -1 3 366.417 2.971 20 10 FFCDHM CCCCN(Cc1ccc(OCCC)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000160783743 509032350 /nfs/dbraw/zinc/03/23/50/509032350.db2.gz HZCHNIRQFVMIBA-INIZCTEOSA-N -1 3 355.500 2.970 20 10 FFCDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1ccccc1C ZINC000179100172 509263743 /nfs/dbraw/zinc/26/37/43/509263743.db2.gz NJEAFWJFMSHFLR-UHFFFAOYSA-N -1 3 362.433 2.684 20 10 FFCDHM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267360103 509465716 /nfs/dbraw/zinc/46/57/16/509465716.db2.gz PKKCBCXUKOQJRY-DGCLKSJQSA-N -1 3 372.512 2.558 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c([O-])c1O ZINC000186825216 509906060 /nfs/dbraw/zinc/90/60/60/509906060.db2.gz UOCDSYWYTHMBHK-MRXNPFEDSA-N -1 3 355.369 2.798 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3c(C)noc3C)CC2)c1[O-] ZINC000177277589 509974023 /nfs/dbraw/zinc/97/40/23/509974023.db2.gz FCDIPZZRGJOKLU-UHFFFAOYSA-N -1 3 361.417 2.657 20 10 FFCDHM COc1ccc(N2CCCN(CCOc3ccccc3C(=O)[O-])CC2)cc1 ZINC000183933224 510044243 /nfs/dbraw/zinc/04/42/43/510044243.db2.gz XLOQBCNVVWLCPR-UHFFFAOYSA-N -1 3 370.449 2.985 20 10 FFCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444792 510663716 /nfs/dbraw/zinc/66/37/16/510663716.db2.gz IABDLOBLLGRAAJ-ZBEGNZNMSA-N -1 3 353.825 2.864 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000175676772 510728084 /nfs/dbraw/zinc/72/80/84/510728084.db2.gz VLYSGVXVVDMYMC-CYBMUJFWSA-N -1 3 358.417 2.651 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000188365178 510730281 /nfs/dbraw/zinc/73/02/81/510730281.db2.gz PTKNHWKZNJVESY-UHFFFAOYSA-N -1 3 366.377 2.563 20 10 FFCDHM C[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276907082 510949290 /nfs/dbraw/zinc/94/92/90/510949290.db2.gz OGTXLPTWSLGSIX-SJCJKPOMSA-N -1 3 373.384 2.891 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000277966198 510977605 /nfs/dbraw/zinc/97/76/05/510977605.db2.gz NAETZNBTDMVJLV-LJQANCHMSA-N -1 3 362.426 2.713 20 10 FFCDHM COc1ccc([C@H](CCO)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278499444 510996100 /nfs/dbraw/zinc/99/61/00/510996100.db2.gz NKHKWLFFCYHGMG-HNNXBMFYSA-N -1 3 362.382 2.531 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886429 511011885 /nfs/dbraw/zinc/01/18/85/511011885.db2.gz OZNOXZKRQUNOCZ-ZFWWWQNUSA-N -1 3 362.382 2.990 20 10 FFCDHM C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162553 511042842 /nfs/dbraw/zinc/04/28/42/511042842.db2.gz BTTXNPXRCZGNKU-UONOGXRCSA-N -1 3 373.409 2.962 20 10 FFCDHM [O-]c1c(F)cccc1CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000272254997 511481103 /nfs/dbraw/zinc/48/11/03/511481103.db2.gz IYXXDYYPXTWJKW-UHFFFAOYSA-N -1 3 355.413 2.771 20 10 FFCDHM COc1cc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc(OC)c1OC ZINC000272810941 511508031 /nfs/dbraw/zinc/50/80/31/511508031.db2.gz NJWPOGXISQQEIJ-NSHDSACASA-N -1 3 361.394 2.923 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000273483269 511528769 /nfs/dbraw/zinc/52/87/69/511528769.db2.gz MOOQCTJYZYERCG-CYBMUJFWSA-N -1 3 372.421 2.819 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000366096689 511837957 /nfs/dbraw/zinc/83/79/57/511837957.db2.gz SICKVLJTMSMAAS-QGZVFWFLSA-N -1 3 352.390 2.686 20 10 FFCDHM COc1cc(Cl)cc(CN2CCC(NC(=O)C3CCC3)CC2)c1[O-] ZINC000363918152 511849496 /nfs/dbraw/zinc/84/94/96/511849496.db2.gz IDNDVLHHUUZEMU-UHFFFAOYSA-N -1 3 352.862 2.935 20 10 FFCDHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000275067689 512032417 /nfs/dbraw/zinc/03/24/17/512032417.db2.gz ANQMSKXZMDEVAO-UHFFFAOYSA-N -1 3 371.437 2.501 20 10 FFCDHM C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378429815 512755477 /nfs/dbraw/zinc/75/54/77/512755477.db2.gz TWLLJQOCNHBUBM-RCBQFDQVSA-N -1 3 352.862 2.551 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000370500172 512966017 /nfs/dbraw/zinc/96/60/17/512966017.db2.gz QMPZNWJLWKAYJW-OAHLLOKOSA-N -1 3 365.332 2.913 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000374909239 513067138 /nfs/dbraw/zinc/06/71/38/513067138.db2.gz JHSHXQNCWMFQRQ-GFCCVEGCSA-N -1 3 370.833 2.971 20 10 FFCDHM O=C(NCCCSc1nccs1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738074823 599010168 /nfs/dbraw/zinc/01/01/68/599010168.db2.gz GRYRHTYXJNNNAJ-UHFFFAOYSA-N -1 3 361.456 2.627 20 10 FFCDHM O=C(NCCCSc1nccs1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738074823 599010170 /nfs/dbraw/zinc/01/01/70/599010170.db2.gz GRYRHTYXJNNNAJ-UHFFFAOYSA-N -1 3 361.456 2.627 20 10 FFCDHM COc1ccc(O)c(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737109419 599056753 /nfs/dbraw/zinc/05/67/53/599056753.db2.gz QKULVQDEEJOHDP-UHFFFAOYSA-N -1 3 366.303 2.607 20 10 FFCDHM COc1ccc(O)c(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737109419 599056756 /nfs/dbraw/zinc/05/67/56/599056756.db2.gz QKULVQDEEJOHDP-UHFFFAOYSA-N -1 3 366.303 2.607 20 10 FFCDHM Cc1cc(C(=O)N[C@@H]2CCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169026 599190645 /nfs/dbraw/zinc/19/06/45/599190645.db2.gz WLCIUCOFCXJYOY-CQSZACIVSA-N -1 3 368.466 2.510 20 10 FFCDHM Oc1ccccc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401508 598324897 /nfs/dbraw/zinc/32/48/97/598324897.db2.gz TYONPKSAXUNCLU-UHFFFAOYSA-N -1 3 360.830 2.712 20 10 FFCDHM Oc1ccccc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401508 598324898 /nfs/dbraw/zinc/32/48/98/598324898.db2.gz TYONPKSAXUNCLU-UHFFFAOYSA-N -1 3 360.830 2.712 20 10 FFCDHM CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000736506425 598610313 /nfs/dbraw/zinc/61/03/13/598610313.db2.gz YAPHUNIRIOKXNI-UHFFFAOYSA-N -1 3 350.426 2.899 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)c1[O-] ZINC000833898529 605989209 /nfs/dbraw/zinc/98/92/09/605989209.db2.gz VJIXWSSGLVXYFV-LLVKDONJSA-N -1 3 357.248 2.943 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CNC(=O)[O-])C2)c1[O-] ZINC000833898529 605989211 /nfs/dbraw/zinc/98/92/11/605989211.db2.gz VJIXWSSGLVXYFV-LLVKDONJSA-N -1 3 357.248 2.943 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@H](CNC(=O)[O-])C2)c1O ZINC000833898529 605989215 /nfs/dbraw/zinc/98/92/15/605989215.db2.gz VJIXWSSGLVXYFV-LLVKDONJSA-N -1 3 357.248 2.943 20 10 FFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1cccnc1 ZINC000823504479 606389932 /nfs/dbraw/zinc/38/99/32/606389932.db2.gz QQIPVWJVWCNTGK-WDZFZDKYSA-N -1 3 372.460 2.729 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC)cc1OC ZINC000826168353 608356826 /nfs/dbraw/zinc/35/68/26/608356826.db2.gz KMAGMXBJBGRAFQ-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2OC)cc1OC ZINC000826168353 608356827 /nfs/dbraw/zinc/35/68/27/608356827.db2.gz KMAGMXBJBGRAFQ-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1ccc(O)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000826210121 609492987 /nfs/dbraw/zinc/49/29/87/609492987.db2.gz FHGHFLYCZBZHBP-UHFFFAOYSA-N -1 3 355.398 2.980 20 10 FFCDHM COc1ccc(O)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000826210121 609492988 /nfs/dbraw/zinc/49/29/88/609492988.db2.gz FHGHFLYCZBZHBP-UHFFFAOYSA-N -1 3 355.398 2.980 20 10 FFCDHM Cc1ccnc(NCc2ccc(N3CCSCC3)cc2)c1-c1nnn[n-]1 ZINC000826314440 609536779 /nfs/dbraw/zinc/53/67/79/609536779.db2.gz WRYOOXIKODRULS-UHFFFAOYSA-N -1 3 367.482 2.735 20 10 FFCDHM Cc1ccnc(NCc2ccc(N3CCSCC3)cc2)c1-c1nn[n-]n1 ZINC000826314440 609536780 /nfs/dbraw/zinc/53/67/80/609536780.db2.gz WRYOOXIKODRULS-UHFFFAOYSA-N -1 3 367.482 2.735 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000097272233 728482778 /nfs/dbraw/zinc/48/27/78/728482778.db2.gz PSSVGTMEOFXWOW-SNVBAGLBSA-N -1 3 368.842 2.908 20 10 FFCDHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000107354552 728515572 /nfs/dbraw/zinc/51/55/72/728515572.db2.gz IOQDUGYIQNKRTP-CYBMUJFWSA-N -1 3 362.451 2.872 20 10 FFCDHM Cc1cccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000115726136 728567078 /nfs/dbraw/zinc/56/70/78/728567078.db2.gz LYFNUGVNLVLYAJ-ZDUSSCGKSA-N -1 3 362.451 2.872 20 10 FFCDHM Cc1nccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000134264448 728729284 /nfs/dbraw/zinc/72/92/84/728729284.db2.gz VJMAXXRPONRUFV-OAHLLOKOSA-N -1 3 360.845 2.538 20 10 FFCDHM O=C(NC1CCN(Cc2cccc(Br)c2[O-])CC1)C1CC1 ZINC000179914092 729198688 /nfs/dbraw/zinc/19/86/88/729198688.db2.gz WGHLLJUHPZWQOU-UHFFFAOYSA-N -1 3 353.260 2.645 20 10 FFCDHM O=C1NCCN(Cc2c([O-])cccc2Br)[C@H]1c1cccs1 ZINC000862247793 730681382 /nfs/dbraw/zinc/68/13/82/730681382.db2.gz CJWBLDLGQYRLQE-AWEZNQCLSA-N -1 3 367.268 2.889 20 10 FFCDHM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862337082 730689813 /nfs/dbraw/zinc/68/98/13/730689813.db2.gz QITNBMGLTFYUQA-BXUZGUMPSA-N -1 3 354.244 2.725 20 10 FFCDHM CS(=O)(=O)[C@H]1CCCCN(Cc2c([O-])cccc2Br)C1 ZINC000862349198 730690602 /nfs/dbraw/zinc/69/06/02/730690602.db2.gz SGFFBIQEMBIVIO-NSHDSACASA-N -1 3 362.289 2.554 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@H](C2CCC2)C1 ZINC000862391500 730696206 /nfs/dbraw/zinc/69/62/06/730696206.db2.gz DTYGTZJSLOFVGW-AWEZNQCLSA-N -1 3 374.300 2.554 20 10 FFCDHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000863407402 730777477 /nfs/dbraw/zinc/77/74/77/730777477.db2.gz QCSTWSNPMZPYRM-AWEZNQCLSA-N -1 3 357.378 2.670 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000878874074 732607479 /nfs/dbraw/zinc/60/74/79/732607479.db2.gz FKVXHADZLFKLNE-MRXNPFEDSA-N -1 3 365.861 2.831 20 10 FFCDHM COC(=O)CN(Cc1cc(C(=O)OC)co1)Cc1cc(Cl)ccc1[O-] ZINC000732202781 734723440 /nfs/dbraw/zinc/72/34/40/734723440.db2.gz CKOLSHARURTOMC-UHFFFAOYSA-N -1 3 367.785 2.600 20 10 FFCDHM COc1ccc(OC)c(CN(CCO)Cc2cc(F)cc(F)c2[O-])c1 ZINC000894020871 734787719 /nfs/dbraw/zinc/78/77/19/734787719.db2.gz RRGSNVZZMICGIR-UHFFFAOYSA-N -1 3 353.365 2.682 20 10 FFCDHM O=S(=O)(c1cccnc1NCc1c([O-])cccc1F)N1CCCCC1 ZINC000895832603 735061489 /nfs/dbraw/zinc/06/14/89/735061489.db2.gz IFESOYLNLCHSQS-UHFFFAOYSA-N -1 3 365.430 2.713 20 10 FFCDHM CCO[C@@H](C)c1noc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])n1 ZINC000750825408 735818230 /nfs/dbraw/zinc/81/82/30/735818230.db2.gz BFZFOFQSTUZDPZ-NSHDSACASA-N -1 3 351.378 2.846 20 10 FFCDHM CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000790880086 739507857 /nfs/dbraw/zinc/50/78/57/739507857.db2.gz ZIJWPVCNYSBURC-GFCCVEGCSA-N -1 3 352.431 2.911 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000776017772 738152762 /nfs/dbraw/zinc/15/27/62/738152762.db2.gz RKDMPINYVLOONF-AWEZNQCLSA-N -1 3 356.850 2.771 20 10 FFCDHM CCOC(=O)[C@H](NCc1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000789582845 739370308 /nfs/dbraw/zinc/37/03/08/739370308.db2.gz ZWGTYJYCTBPWTH-XHDPSFHLSA-N -1 3 372.259 2.603 20 10 FFCDHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790774666 739493580 /nfs/dbraw/zinc/49/35/80/739493580.db2.gz ZMVBKBYCVGKMPP-UHFFFAOYSA-N -1 3 364.423 2.892 20 10 FFCDHM CC[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793363221 739773720 /nfs/dbraw/zinc/77/37/20/739773720.db2.gz RGKXKXDXHKVBDL-CZUORRHYSA-N -1 3 356.260 2.925 20 10 FFCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000796031273 740093961 /nfs/dbraw/zinc/09/39/61/740093961.db2.gz IXNKGPJRQKQZLI-BLLLJJGKSA-N -1 3 356.260 2.925 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@@]3(CCCOC3)C2)c1 ZINC000809686830 741331828 /nfs/dbraw/zinc/33/18/28/741331828.db2.gz MMJXDRMJWNJWOE-INIZCTEOSA-N -1 3 356.260 2.845 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817882134 742220390 /nfs/dbraw/zinc/22/03/90/742220390.db2.gz ZWHOIEDARDIBTB-KOLCDFICSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817882134 742220391 /nfs/dbraw/zinc/22/03/91/742220391.db2.gz ZWHOIEDARDIBTB-KOLCDFICSA-N -1 3 358.232 2.706 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000825797847 743329073 /nfs/dbraw/zinc/32/90/73/743329073.db2.gz JTFNHVZYNDMTFF-UHFFFAOYSA-N -1 3 352.203 2.997 20 10 FFCDHM [O-]c1c(F)cccc1C[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000826510838 743390740 /nfs/dbraw/zinc/39/07/40/743390740.db2.gz NFXHDPVPHNMWFE-UHFFFAOYSA-N -1 3 359.430 2.734 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000837120896 746370190 /nfs/dbraw/zinc/37/01/90/746370190.db2.gz GXEQEESVDVRSSX-NEPJUHHUSA-N -1 3 350.415 2.521 20 10 FFCDHM Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000839710185 746900340 /nfs/dbraw/zinc/90/03/40/746900340.db2.gz WLSOCKXGJIXJIN-HNNXBMFYSA-N -1 3 360.845 2.538 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840949975 747239212 /nfs/dbraw/zinc/23/92/12/747239212.db2.gz DNTALATWLFWEHJ-XMMPIXPASA-N -1 3 373.902 2.630 20 10 FFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@H](C2CCC2)C1 ZINC000840956238 747242415 /nfs/dbraw/zinc/24/24/15/747242415.db2.gz MKDVFOWLBOIMEY-AWEZNQCLSA-N -1 3 374.300 2.554 20 10 FFCDHM CN(C)c1ccc(N2CCC(NC(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000193097340 971763947 /nfs/dbraw/zinc/76/39/47/971763947.db2.gz NHOJMDJHOZYLLY-UHFFFAOYSA-N -1 3 355.438 2.563 20 10 FFCDHM CC(C)(C)C(=O)CN1CC[C@@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001276031222 1013297489 /nfs/dbraw/zinc/29/74/89/1013297489.db2.gz FZPCOSGKMVDVFU-FQEVSTJZSA-N -1 3 362.445 2.713 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC000898729164 976648228 /nfs/dbraw/zinc/64/82/28/976648228.db2.gz FAKAVUXNEPKGDX-MRXNPFEDSA-N -1 3 352.438 2.644 20 10 FFCDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1c1ccccc1 ZINC000923962391 982135980 /nfs/dbraw/zinc/13/59/80/982135980.db2.gz ZQKYLXPQTDGWJZ-UGSOOPFHSA-N -1 3 374.462 2.987 20 10 FFCDHM Cc1oc2ccccc2c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000186230584 985793154 /nfs/dbraw/zinc/79/31/54/985793154.db2.gz VVARYGFQCGECHP-UHFFFAOYSA-N -1 3 374.418 2.748 20 10 FFCDHM CCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000846242279 1000242075 /nfs/dbraw/zinc/24/20/75/1000242075.db2.gz QXKZBBNSTGELCU-NSHDSACASA-N -1 3 358.373 2.855 20 10 FFCDHM C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000846471218 1000319918 /nfs/dbraw/zinc/31/99/18/1000319918.db2.gz SXQOJLWTXZWMNA-FZMZJTMJSA-N -1 3 357.410 2.699 20 10 FFCDHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000770086747 1000671503 /nfs/dbraw/zinc/67/15/03/1000671503.db2.gz GVYVPBSLJXKIRJ-AWEZNQCLSA-N -1 3 371.389 2.648 20 10 FFCDHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000770086748 1000671869 /nfs/dbraw/zinc/67/18/69/1000671869.db2.gz GVYVPBSLJXKIRJ-CQSZACIVSA-N -1 3 371.389 2.648 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@](F)(CNC(=O)c2cccc(O)c2[O-])C1 ZINC001148220069 1001072997 /nfs/dbraw/zinc/07/29/97/1001072997.db2.gz ODBHRZOONSNJIP-SFHVURJKSA-N -1 3 368.405 2.567 20 10 FFCDHM CC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148584053 1001175772 /nfs/dbraw/zinc/17/57/72/1001175772.db2.gz LVPPKACIGBTGMZ-UHFFFAOYSA-N -1 3 355.390 2.566 20 10 FFCDHM O=C(NCCc1cc(C(F)(F)F)ccc1F)c1cc(O)c([O-])c(O)c1 ZINC001148589925 1001176847 /nfs/dbraw/zinc/17/68/47/1001176847.db2.gz QVKAQXKNJNVLKH-UHFFFAOYSA-N -1 3 359.275 2.934 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncnn2-c2ccccc2)c1 ZINC000786940024 1001650921 /nfs/dbraw/zinc/65/09/21/1001650921.db2.gz PSBCXBSJFWCMDF-ZDUSSCGKSA-N -1 3 352.394 2.610 20 10 FFCDHM COC(=O)CC(C)(C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182613362 1001984806 /nfs/dbraw/zinc/98/48/06/1001984806.db2.gz PLTHVBCSLFKNNJ-UHFFFAOYSA-N -1 3 350.802 2.799 20 10 FFCDHM COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(OC)c1 ZINC000827012342 1016624206 /nfs/dbraw/zinc/62/42/06/1016624206.db2.gz WOMAORDGDLNEDY-HNNXBMFYSA-N -1 3 362.382 2.795 20 10 FFCDHM COc1c([O-])c(CN2CCN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774814511 1002792648 /nfs/dbraw/zinc/79/26/48/1002792648.db2.gz LTOKIGZXFLIMFV-KRWDZBQOSA-N -1 3 357.410 2.798 20 10 FFCDHM COc1c([O-])c(CNc2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000774820441 1002806660 /nfs/dbraw/zinc/80/66/60/1002806660.db2.gz AFJZMZSYANOZBR-UHFFFAOYSA-N -1 3 359.338 2.878 20 10 FFCDHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c1 ZINC001196777477 1003967859 /nfs/dbraw/zinc/96/78/59/1003967859.db2.gz NTQAKKHULFQCIB-UHFFFAOYSA-N -1 3 364.442 2.913 20 10 FFCDHM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2cccc3[nH]ncc32)CC1 ZINC001193232133 1004411138 /nfs/dbraw/zinc/41/11/38/1004411138.db2.gz FFTNLCFVAJTZHO-UHFFFAOYSA-N -1 3 372.812 2.590 20 10 FFCDHM CCOc1c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cnn1C ZINC001194377879 1004717762 /nfs/dbraw/zinc/71/77/62/1004717762.db2.gz AZYRMYKTTMLUNU-UHFFFAOYSA-N -1 3 360.801 2.656 20 10 FFCDHM COc1ccc(CN2CC[C@@H](NCc3cc(F)cc(F)c3[O-])C2=O)cc1 ZINC000883003569 1006594205 /nfs/dbraw/zinc/59/42/05/1006594205.db2.gz VYIBHCJOQIMOBV-QGZVFWFLSA-N -1 3 362.376 2.570 20 10 FFCDHM CC(=O)Nc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001189912597 1007347591 /nfs/dbraw/zinc/34/75/91/1007347591.db2.gz IKRANWBAAKFOOT-UHFFFAOYSA-N -1 3 370.796 2.877 20 10 FFCDHM CCS(=O)(=O)Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001206398619 1032269114 /nfs/dbraw/zinc/26/91/14/1032269114.db2.gz ZRFHSIJKZLDRDV-UHFFFAOYSA-N -1 3 366.414 2.788 20 10 FFCDHM CC(C)(C)OC(=O)N(CC(=O)NCc1c([O-])cccc1F)CC1CC1 ZINC001178413269 1008984222 /nfs/dbraw/zinc/98/42/22/1008984222.db2.gz PPIBMTXPGFZCKW-UHFFFAOYSA-N -1 3 352.406 2.795 20 10 FFCDHM CC(C)[C@H](C(=O)NCc1c([O-])cccc1F)N1Cc2ccccc2C1=O ZINC001178417023 1008984607 /nfs/dbraw/zinc/98/46/07/1008984607.db2.gz UDWNQZCCLUPPQB-GOSISDBHSA-N -1 3 356.397 2.828 20 10 FFCDHM O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1c([O-])cccc1F ZINC000928710258 1019083724 /nfs/dbraw/zinc/08/37/24/1019083724.db2.gz ROODRFZWARFXEP-UHFFFAOYSA-N -1 3 359.353 2.582 20 10 FFCDHM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1c([O-])cccc1F ZINC000928710989 1019087066 /nfs/dbraw/zinc/08/70/66/1019087066.db2.gz YWWCBDIHRXNGEA-GOSISDBHSA-N -1 3 356.397 2.684 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1[O-] ZINC000189728656 1023330339 /nfs/dbraw/zinc/33/03/39/1023330339.db2.gz NFIIOADRXQBHDZ-UHFFFAOYSA-N -1 3 358.417 2.657 20 10 FFCDHM CC(C)Cn1ncc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1C1CC1 ZINC001121065052 1023590568 /nfs/dbraw/zinc/59/05/68/1023590568.db2.gz MDOAQRIRUNWQJJ-UHFFFAOYSA-N -1 3 374.416 2.516 20 10 FFCDHM [O-]c1cccc(F)c1CN1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001137834638 1033169376 /nfs/dbraw/zinc/16/93/76/1033169376.db2.gz NWRZIVIBKYEUNA-HNNXBMFYSA-N -1 3 368.412 2.834 20 10 FFCDHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1[O-] ZINC000839578095 1026743714 /nfs/dbraw/zinc/74/37/14/1026743714.db2.gz KYQXPFUSBJCRCZ-AWEZNQCLSA-N -1 3 368.433 2.922 20 10 FFCDHM COc1ccc2ncc([O-])c(C(=O)N3CCc4cccc(O)c4C3)c2c1 ZINC001154510665 1028326028 /nfs/dbraw/zinc/32/60/28/1028326028.db2.gz HBWOEXKURYDPKF-UHFFFAOYSA-N -1 3 350.374 2.853 20 10 FFCDHM C[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840882481 1029903240 /nfs/dbraw/zinc/90/32/40/1029903240.db2.gz OLUMMLTYMYNONJ-ZBEGNZNMSA-N -1 3 359.357 2.896 20 10 FFCDHM Cc1cc(N(C)C)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000840910893 1029919849 /nfs/dbraw/zinc/91/98/49/1029919849.db2.gz OKISDAWJOVAKPZ-UHFFFAOYSA-N -1 3 353.466 2.725 20 10 FFCDHM O=C([O-])c1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000840995223 1029967321 /nfs/dbraw/zinc/96/73/21/1029967321.db2.gz WDQCPHMBHQEQAA-UHFFFAOYSA-N -1 3 362.376 2.789 20 10 FFCDHM CN(C)C1CN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203562210 1030767807 /nfs/dbraw/zinc/76/78/07/1030767807.db2.gz FFOSEFGKTQUFDZ-UHFFFAOYSA-N -1 3 364.081 2.663 20 10 FFCDHM COC[C@@H]1CN(Cc2cc(Br)ccc2[O-])Cc2cn(C)nc21 ZINC001203639883 1030800741 /nfs/dbraw/zinc/80/07/41/1030800741.db2.gz LMHURKICSQXNPJ-ZDUSSCGKSA-N -1 3 366.259 2.634 20 10 FFCDHM CCOCc1ncn2c1CN(Cc1cc(Br)ccc1[O-])CC2 ZINC001203644563 1030801680 /nfs/dbraw/zinc/80/16/80/1030801680.db2.gz YSWDYESESJSCPO-UHFFFAOYSA-N -1 3 366.259 2.904 20 10 FFCDHM CC[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000796918349 1030953690 /nfs/dbraw/zinc/95/36/90/1030953690.db2.gz KZAKVDUEGZTLTJ-INIZCTEOSA-N -1 3 359.401 2.700 20 10 FFCDHM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(Cl)cc1[O-] ZINC001204180215 1031149831 /nfs/dbraw/zinc/14/98/31/1031149831.db2.gz HPIUBNXOYHCEOL-GOSISDBHSA-N -1 3 370.840 2.675 20 10 FFCDHM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(Cl)cc1[O-] ZINC001204180216 1031150188 /nfs/dbraw/zinc/15/01/88/1031150188.db2.gz HPIUBNXOYHCEOL-SFHVURJKSA-N -1 3 370.840 2.675 20 10 FFCDHM COCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276949340 1033731376 /nfs/dbraw/zinc/73/13/76/1033731376.db2.gz RDZIVCBMVDPOHJ-LJQANCHMSA-N -1 3 368.424 2.664 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001138123999 1033800725 /nfs/dbraw/zinc/80/07/25/1033800725.db2.gz VHSRXDPQJAHVAI-HXUWFJFHSA-N -1 3 357.429 2.798 20 10 FFCDHM [O-]c1c(F)cccc1CN1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001138127908 1033811338 /nfs/dbraw/zinc/81/13/38/1033811338.db2.gz VBLTVTLUPUUMPP-HNNXBMFYSA-N -1 3 368.412 2.834 20 10 FFCDHM COC[C@H]1CN(Cc2cc(F)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001140057798 1035325378 /nfs/dbraw/zinc/32/53/78/1035325378.db2.gz MXFUJXPRXGCQQA-OAHLLOKOSA-N -1 3 354.422 2.599 20 10 FFCDHM COC[C@@H]1Cn2ccnc2CN(Cc2c([O-])cccc2Br)C1 ZINC001140100452 1035341659 /nfs/dbraw/zinc/34/16/59/1035341659.db2.gz PMHSJEUZUUNUFR-LBPRGKRZSA-N -1 3 366.259 2.630 20 10 FFCDHM COCCN1CCN(Cc2cc(Cl)c([O-])cc2O)Cc2cccnc21 ZINC001232260023 1035531396 /nfs/dbraw/zinc/53/13/96/1035531396.db2.gz NZYJKOCQIBVMBC-UHFFFAOYSA-N -1 3 363.845 2.615 20 10 FFCDHM [O-]c1cc(O)c(CN2CCc3onc(Cn4cccn4)c3C2)cc1Cl ZINC001232261473 1035533579 /nfs/dbraw/zinc/53/35/79/1035533579.db2.gz IKFGIJJYDNVCPI-UHFFFAOYSA-N -1 3 360.801 2.542 20 10 FFCDHM COc1cc([O-])c(CN2CCn3c(COC(C)C)nnc3C2)cc1Cl ZINC001232267334 1035537872 /nfs/dbraw/zinc/53/78/72/1035537872.db2.gz FGVLJADKXHORLG-UHFFFAOYSA-N -1 3 366.849 2.587 20 10 FFCDHM CN1CC[C@H](Oc2cc([O-])cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228186018 1035981126 /nfs/dbraw/zinc/98/11/26/1035981126.db2.gz NAJDDRYHIOSWSQ-SUMWQHHRSA-N -1 3 371.389 2.593 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCc2ccncc2C1 ZINC001232978532 1036211704 /nfs/dbraw/zinc/21/17/04/1036211704.db2.gz JENSIINZASWPJU-UHFFFAOYSA-N -1 3 366.202 2.950 20 10 FFCDHM [O-]c1cc(I)ccc1CN1Cc2ncsc2C1 ZINC001232978164 1036212389 /nfs/dbraw/zinc/21/23/89/1036212389.db2.gz YWJHBSMVRFFZFJ-UHFFFAOYSA-N -1 3 358.204 2.969 20 10 FFCDHM CC(=O)[C@H]1CCCCN1Cc1ccc(I)cc1[O-] ZINC001232980158 1036214466 /nfs/dbraw/zinc/21/44/66/1036214466.db2.gz MNEGGHVMEWKECZ-CYBMUJFWSA-N -1 3 359.207 2.940 20 10 FFCDHM COc1cc2c(cc1NC(=O)NCc1c([O-])cccc1F)NC(=O)CC2 ZINC001203076130 1036415401 /nfs/dbraw/zinc/41/54/01/1036415401.db2.gz LWMAPVGDWLCYSF-UHFFFAOYSA-N -1 3 359.357 2.746 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@@H](CO)CC[C@@H]2C)c1 ZINC001233306551 1036511671 /nfs/dbraw/zinc/51/16/71/1036511671.db2.gz UZARNTQJIRKIPY-QWRGUYRKSA-N -1 3 372.259 2.534 20 10 FFCDHM CCOC(=O)[C@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)C1CC1 ZINC001229192612 1036542633 /nfs/dbraw/zinc/54/26/33/1036542633.db2.gz QHRFVUSAKWMKOS-HXUWFJFHSA-N -1 3 366.369 2.888 20 10 FFCDHM O=C1N(c2cccnc2)CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334748 1036542591 /nfs/dbraw/zinc/54/25/91/1036542591.db2.gz RWIANJQYGMAYGX-UHFFFAOYSA-N -1 3 359.376 2.694 20 10 FFCDHM O=C([C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1[O-])N1CCOCC1 ZINC001233418634 1036610778 /nfs/dbraw/zinc/61/07/78/1036610778.db2.gz PEIXCYIQDLFJCA-OAHLLOKOSA-N -1 3 372.387 2.624 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@@H]21 ZINC001235074069 1037341488 /nfs/dbraw/zinc/34/14/88/1037341488.db2.gz DTTUGOHLJVBAGM-HZMBPMFUSA-N -1 3 371.250 2.737 20 10 FFCDHM O=C([O-])c1ccc(CN2CCN(c3nccc4ccccc43)CC2)c(O)c1 ZINC001231452441 1037592237 /nfs/dbraw/zinc/59/22/37/1037592237.db2.gz PEWRHGOVADGUBG-UHFFFAOYSA-N -1 3 363.417 2.961 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC001231452124 1037592340 /nfs/dbraw/zinc/59/23/40/1037592340.db2.gz AQMIDRUBDIKHIV-UHFFFAOYSA-N -1 3 358.413 2.937 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC001231452124 1037592350 /nfs/dbraw/zinc/59/23/50/1037592350.db2.gz AQMIDRUBDIKHIV-UHFFFAOYSA-N -1 3 358.413 2.937 20 10 FFCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001231453598 1037594888 /nfs/dbraw/zinc/59/48/88/1037594888.db2.gz ITXAUHIOZAMJAO-HNNXBMFYSA-N -1 3 364.442 2.922 20 10 FFCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001231453598 1037594900 /nfs/dbraw/zinc/59/49/00/1037594900.db2.gz ITXAUHIOZAMJAO-HNNXBMFYSA-N -1 3 364.442 2.922 20 10 FFCDHM CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453128 1037594975 /nfs/dbraw/zinc/59/49/75/1037594975.db2.gz CFWYPKGEGKEGRH-INIZCTEOSA-N -1 3 367.442 2.661 20 10 FFCDHM CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453128 1037594984 /nfs/dbraw/zinc/59/49/84/1037594984.db2.gz CFWYPKGEGKEGRH-INIZCTEOSA-N -1 3 367.442 2.661 20 10 FFCDHM CCn1nnc2c1[C@@H](COC)CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231866701 1037962852 /nfs/dbraw/zinc/96/28/52/1037962852.db2.gz BVNQRFYXMQMXIX-CYBMUJFWSA-N -1 3 350.850 2.711 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278023143 1038330921 /nfs/dbraw/zinc/33/09/21/1038330921.db2.gz LXQZQSSEJIOKKX-KZULUSFZSA-N -1 3 370.852 2.787 20 10 FFCDHM COC([O-])=NC(=S)N(c1cc(F)c(N)c(F)c1)c1ccccc1N ZINC001210912392 1039821969 /nfs/dbraw/zinc/82/19/69/1039821969.db2.gz KJVGBBTVTRSLMU-UHFFFAOYSA-N -1 3 352.366 2.908 20 10 FFCDHM O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001278490447 1039850050 /nfs/dbraw/zinc/85/00/50/1039850050.db2.gz FVKORWAYEUQIJK-AOOOYVTPSA-N -1 3 363.767 2.576 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001278554321 1041132094 /nfs/dbraw/zinc/13/20/94/1041132094.db2.gz PVNAZOCEJBUCIA-CALCHBBNSA-N -1 3 359.857 2.792 20 10 FFCDHM O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001278558543 1041152471 /nfs/dbraw/zinc/15/24/71/1041152471.db2.gz JPNSACGXYCCTNQ-TXEJJXNPSA-N -1 3 363.767 2.576 20 10 FFCDHM O=C(Cc1ccsc1)N1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001278565623 1041191704 /nfs/dbraw/zinc/19/17/04/1041191704.db2.gz PZZGYIYZFKCBLU-UHFFFAOYSA-N -1 3 362.882 2.994 20 10 FFCDHM Cc1cc(Br)cnc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215329008 1041740952 /nfs/dbraw/zinc/74/09/52/1041740952.db2.gz YEAQYPBJWDKBQF-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001262927133 1041967690 /nfs/dbraw/zinc/96/76/90/1041967690.db2.gz YSZBPNONRVCNBF-WCQYABFASA-N -1 3 371.466 2.803 20 10 FFCDHM CN1CCO[C@@]2(CCCN(Cc3cc(F)cc(Br)c3[O-])C2)C1 ZINC001279351671 1043021199 /nfs/dbraw/zinc/02/11/99/1043021199.db2.gz YYRHWPQMMSHCKO-INIZCTEOSA-N -1 3 373.266 2.590 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCC[C@H](CCO)C1 ZINC001237781438 1043354356 /nfs/dbraw/zinc/35/43/56/1043354356.db2.gz WSFPYXBYJUQDCX-LLVKDONJSA-N -1 3 361.223 2.591 20 10 FFCDHM CO[C@H]1CCN(Cc2cccc(I)c2[O-])[C@H](C)C1 ZINC001237784990 1043356287 /nfs/dbraw/zinc/35/62/87/1043356287.db2.gz BTMZMDUXMVMXQK-PWSUYJOCSA-N -1 3 361.223 2.996 20 10 FFCDHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001279696744 1043485614 /nfs/dbraw/zinc/48/56/14/1043485614.db2.gz HDKLTKRQYCBJKB-UHFFFAOYSA-N -1 3 353.413 2.686 20 10 FFCDHM CC(C)(C)NC(=O)C[C@@H]1C[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]2O1 ZINC001279735820 1043556584 /nfs/dbraw/zinc/55/65/84/1043556584.db2.gz FOJIAFVVEYXJRL-WQGACYEGSA-N -1 3 368.424 2.565 20 10 FFCDHM CCN(C(=O)[C@H]1CCC2(CN(Cc3cc(F)ccc3[O-])C2)O1)C(C)C ZINC001280292988 1044562521 /nfs/dbraw/zinc/56/25/21/1044562521.db2.gz GCJRWWCUZMAIRN-QGZVFWFLSA-N -1 3 350.434 2.522 20 10 FFCDHM O=C(CSc1nc(-c2ccccc2)no1)NCc1c([O-])cccc1F ZINC001303876168 1051463421 /nfs/dbraw/zinc/46/34/21/1051463421.db2.gz WTLZTRMVGGCLNS-UHFFFAOYSA-N -1 3 359.382 2.990 20 10 FFCDHM Cc1cc(Br)c([O-])c(C[NH2+]Cc2nnc(C(F)(F)F)[n-]2)c1 ZINC001308990029 1052533358 /nfs/dbraw/zinc/53/33/58/1052533358.db2.gz PYLHKBPXJBPRMT-UHFFFAOYSA-N -1 3 365.153 2.890 20 10 FFCDHM CC(C)N(C)c1cccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001337605046 1054884672 /nfs/dbraw/zinc/88/46/72/1054884672.db2.gz HPYQYBGEXOTSIZ-UHFFFAOYSA-N -1 3 359.401 2.631 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001339381029 1056397783 /nfs/dbraw/zinc/39/77/83/1056397783.db2.gz KBNBSRKTPKRNCQ-LLVKDONJSA-N -1 3 371.466 2.803 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OC)CC1 ZINC001353728165 1056675065 /nfs/dbraw/zinc/67/50/65/1056675065.db2.gz NEVQIPVWJTVXQK-UHFFFAOYSA-N -1 3 359.455 2.896 20 10 FFCDHM Cc1cc(NC(=O)C(=O)NCc2c([O-])cccc2F)nn1C1CCCCC1 ZINC001354549760 1059147141 /nfs/dbraw/zinc/14/71/41/1059147141.db2.gz DWLWPXWJJCSWTD-UHFFFAOYSA-N -1 3 374.416 2.796 20 10 FFCDHM Cc1ccc(O)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001475510471 1061120751 /nfs/dbraw/zinc/12/07/51/1061120751.db2.gz BPMHJWQOFIATSQ-UHFFFAOYSA-N -1 3 356.787 2.741 20 10 FFCDHM CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2cccc(O)c2[O-])n1 ZINC001464996862 1062935726 /nfs/dbraw/zinc/93/57/26/1062935726.db2.gz AYCZUNPUIUTDKU-UHFFFAOYSA-N -1 3 367.361 2.713 20 10 FFCDHM CN(CC(=O)Nc1cccc(-c2c[nH]nn2)c1)Cc1cc(F)c(F)cc1[O-] ZINC001576788486 1078274629 /nfs/dbraw/zinc/27/46/29/1078274629.db2.gz XDMKAVOGKGGFFH-UHFFFAOYSA-N -1 3 373.363 2.526 20 10 FFCDHM C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589972485 1080913230 /nfs/dbraw/zinc/91/32/30/1080913230.db2.gz GORYQBKDPXRXPV-VIFPVBQESA-N -1 3 364.331 2.837 20 10 FFCDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Br)cc(C)c1[O-] ZINC000359995314 210204598 /nfs/dbraw/zinc/20/45/98/210204598.db2.gz CVVZSURYGSISHW-UONOGXRCSA-N -1 3 372.259 2.616 20 10 FFCDHM CC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000368928370 512140141 /nfs/dbraw/zinc/14/01/41/512140141.db2.gz FFYFULBLPSJJFI-MRXNPFEDSA-N -1 3 352.862 2.886 20 10 FFCDHM [O-]c1ccccc1CN(Cc1nnnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000070976839 507672645 /nfs/dbraw/zinc/67/26/45/507672645.db2.gz XXPJQZMNQRAVRZ-GOSISDBHSA-N -1 3 365.437 2.549 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000093908128 508160145 /nfs/dbraw/zinc/16/01/45/508160145.db2.gz PNCNJPOLRUMFIX-WFASDCNBSA-N -1 3 352.456 2.559 20 10 FFCDHM COc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000112583650 508199664 /nfs/dbraw/zinc/19/96/64/508199664.db2.gz RJFVKXLMOWFZGK-AWEZNQCLSA-N -1 3 358.438 2.546 20 10 FFCDHM Cc1nc([C@@H]2COCCN2Cc2cc(Br)cc(C)c2[O-])no1 ZINC000369460580 512420190 /nfs/dbraw/zinc/42/01/90/512420190.db2.gz DFHFCOQWHLEGAM-ZDUSSCGKSA-N -1 3 368.231 2.728 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC(=O)c2ccco2)c1[O-] ZINC000121130441 509134994 /nfs/dbraw/zinc/13/49/94/509134994.db2.gz YZRUZJKTXCBEKM-OAHLLOKOSA-N -1 3 361.369 2.801 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185322559 510806908 /nfs/dbraw/zinc/80/69/08/510806908.db2.gz OFIROCGHLVIYRN-NWDGAFQWSA-N -1 3 352.431 2.851 20 10 FFCDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)n1 ZINC000182231138 510825632 /nfs/dbraw/zinc/82/56/32/510825632.db2.gz WULLNRUJASDVHE-UHFFFAOYSA-N -1 3 351.362 2.717 20 10 FFCDHM CCCOc1ccc(CN2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c([O-])c1 ZINC000285485959 510926930 /nfs/dbraw/zinc/92/69/30/510926930.db2.gz LYAHIGMXFIYCEZ-KRWDZBQOSA-N -1 3 372.469 2.930 20 10 FFCDHM Cn1ncc2c1CCC[C@@H]2N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277405201 510962188 /nfs/dbraw/zinc/96/21/88/510962188.db2.gz QFTUTZFPZOKPLS-HNNXBMFYSA-N -1 3 374.828 2.621 20 10 FFCDHM COC(=O)CN(Cc1cncc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000289878702 511119119 /nfs/dbraw/zinc/11/91/19/511119119.db2.gz MAEWCSCBEOSIIM-UHFFFAOYSA-N -1 3 350.802 2.624 20 10 FFCDHM Cn1ccnc1[C@@H](NCc1cc(Br)ccc1[O-])C(C)(C)CO ZINC000295079778 511273440 /nfs/dbraw/zinc/27/34/40/511273440.db2.gz QDZSEVWNAXESML-CQSZACIVSA-N -1 3 368.275 2.738 20 10 FFCDHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000280450613 511469840 /nfs/dbraw/zinc/46/98/40/511469840.db2.gz HXBKAEMZUQLJII-LBPRGKRZSA-N -1 3 354.472 2.662 20 10 FFCDHM CCN(Cc1ncnn1CCF)Cc1cc(Br)ccc1[O-] ZINC000281411258 511837152 /nfs/dbraw/zinc/83/71/52/511837152.db2.gz GXJRYLAPDARREI-UHFFFAOYSA-N -1 3 357.227 2.738 20 10 FFCDHM CC[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274760508 511933367 /nfs/dbraw/zinc/93/33/67/511933367.db2.gz JZLGBJWKBALNIA-UONOGXRCSA-N -1 3 354.248 2.663 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000282025770 512050471 /nfs/dbraw/zinc/05/04/71/512050471.db2.gz UTDSGIIRRVBGBB-ZDUSSCGKSA-N -1 3 364.442 2.865 20 10 FFCDHM Cc1cc(Cl)cc(CN(C)Cc2ccccc2S(N)(=O)=O)c1[O-] ZINC000293837708 512095411 /nfs/dbraw/zinc/09/54/11/512095411.db2.gz GWBAEJPQECHQEV-UHFFFAOYSA-N -1 3 354.859 2.633 20 10 FFCDHM CC[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883857 513031131 /nfs/dbraw/zinc/03/11/31/513031131.db2.gz DLRRXQFJVRKTFW-HOTGVXAUSA-N -1 3 352.862 2.866 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC(O)CC1 ZINC000377068476 513106911 /nfs/dbraw/zinc/10/69/11/513106911.db2.gz RRAITPBJFFDIKV-PWZRNIHTSA-N -1 3 366.889 2.677 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)Nc3nnc(SC)[n-]3)ccc21 ZINC000489955846 515046394 /nfs/dbraw/zinc/04/63/94/515046394.db2.gz JWPJJUQUAQLYJO-UHFFFAOYSA-N -1 3 359.455 2.997 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(SC)n[n-]3)ccc21 ZINC000489955846 515046399 /nfs/dbraw/zinc/04/63/99/515046399.db2.gz JWPJJUQUAQLYJO-UHFFFAOYSA-N -1 3 359.455 2.997 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)Nc3n[n-]c(SC)n3)ccc21 ZINC000489955846 515046402 /nfs/dbraw/zinc/04/64/02/515046402.db2.gz JWPJJUQUAQLYJO-UHFFFAOYSA-N -1 3 359.455 2.997 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737271161 599104834 /nfs/dbraw/zinc/10/48/34/599104834.db2.gz SKGUHMCCHZPNJN-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737271161 599104835 /nfs/dbraw/zinc/10/48/35/599104835.db2.gz SKGUHMCCHZPNJN-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737271636 599146427 /nfs/dbraw/zinc/14/64/27/599146427.db2.gz XDAGFAQQITTYLJ-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737271636 599146429 /nfs/dbraw/zinc/14/64/29/599146429.db2.gz XDAGFAQQITTYLJ-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825415866 607666080 /nfs/dbraw/zinc/66/60/80/607666080.db2.gz DWSAKKOFIUVFHU-UHFFFAOYSA-N -1 3 364.453 2.951 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825415866 607666082 /nfs/dbraw/zinc/66/60/82/607666082.db2.gz DWSAKKOFIUVFHU-UHFFFAOYSA-N -1 3 364.453 2.951 20 10 FFCDHM CN(Cc1cc2c(cc1O)OCO2)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694066 604675838 /nfs/dbraw/zinc/67/58/38/604675838.db2.gz ICRLSCKHENMDJF-MRXNPFEDSA-N -1 3 369.295 2.796 20 10 FFCDHM CCc1nnc(NCc2ccc(N(C)C)cc2C)c(-c2nnn[n-]2)c1CC ZINC000821542826 606937664 /nfs/dbraw/zinc/93/76/64/606937664.db2.gz ZQTVKDUOKGWUCZ-UHFFFAOYSA-N -1 3 366.473 2.768 20 10 FFCDHM CCc1nnc(NCc2ccc(N(C)C)cc2C)c(-c2nn[n-]n2)c1CC ZINC000821542826 606937665 /nfs/dbraw/zinc/93/76/65/606937665.db2.gz ZQTVKDUOKGWUCZ-UHFFFAOYSA-N -1 3 366.473 2.768 20 10 FFCDHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000041374372 727939869 /nfs/dbraw/zinc/93/98/69/727939869.db2.gz YQOWBUVBFXCUED-UHFFFAOYSA-N -1 3 362.451 2.723 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000080101881 728321999 /nfs/dbraw/zinc/32/19/99/728321999.db2.gz FXRLWMNXJIGCKN-CHWSQXEVSA-N -1 3 362.451 2.686 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000093910638 728478643 /nfs/dbraw/zinc/47/86/43/728478643.db2.gz ITTMLCXOBRKHLS-QGZVFWFLSA-N -1 3 360.435 2.645 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncc(F)c1 ZINC000134270086 728729457 /nfs/dbraw/zinc/72/94/57/728729457.db2.gz JLICJTVPMNVZCR-INIZCTEOSA-N -1 3 363.820 2.974 20 10 FFCDHM C[C@@H](N[C@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434719 730425722 /nfs/dbraw/zinc/42/57/22/730425722.db2.gz NOOHHDWGCLNIJS-PRHODGIISA-N -1 3 374.666 2.926 20 10 FFCDHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Br)ccc1[O-] ZINC000862516424 730706058 /nfs/dbraw/zinc/70/60/58/730706058.db2.gz QYTMTUFHTKRIRT-SMDDNHRTSA-N -1 3 372.259 2.603 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863739257 730805531 /nfs/dbraw/zinc/80/55/31/730805531.db2.gz JOVGWXHJFXXDGS-SKDRFNHKSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863739257 730805532 /nfs/dbraw/zinc/80/55/32/730805532.db2.gz JOVGWXHJFXXDGS-SKDRFNHKSA-N -1 3 358.232 2.706 20 10 FFCDHM CCN(Cc1cn(C)nc1[N+](=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000876794286 732282109 /nfs/dbraw/zinc/28/21/09/732282109.db2.gz RBTOHETYQLUQLG-UHFFFAOYSA-N -1 3 369.219 2.819 20 10 FFCDHM [O-]c1c(Br)cccc1CNCc1cc2c(cn1)OCCO2 ZINC000877479465 732369884 /nfs/dbraw/zinc/36/98/84/732369884.db2.gz VYGNCUHFGAKDFO-UHFFFAOYSA-N -1 3 351.200 2.611 20 10 FFCDHM O=C1[C@@H](NCc2cc(F)cc(F)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000883102041 733333473 /nfs/dbraw/zinc/33/34/73/733333473.db2.gz DKOQLXGADNYFNH-INIZCTEOSA-N -1 3 350.340 2.700 20 10 FFCDHM CSCc1nnc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])[n-]1 ZINC000886325703 733773764 /nfs/dbraw/zinc/77/37/64/733773764.db2.gz OMUSWGAJHVDSMM-UHFFFAOYSA-N -1 3 361.240 2.565 20 10 FFCDHM Cc1nc2cc(NCc3cccc(Cl)c3[O-])ccc2n1C(CO)CO ZINC000894927635 734937822 /nfs/dbraw/zinc/93/78/22/734937822.db2.gz WCISZYNCUKPQNS-UHFFFAOYSA-N -1 3 361.829 2.842 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)CC1CCCC1 ZINC000789348139 739340595 /nfs/dbraw/zinc/34/05/95/739340595.db2.gz LJONLXLBYSNWMY-INIZCTEOSA-N -1 3 355.862 2.962 20 10 FFCDHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769765558 737564488 /nfs/dbraw/zinc/56/44/88/737564488.db2.gz CDZQGWIYNJKULO-WFASDCNBSA-N -1 3 354.472 2.852 20 10 FFCDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773084304 737869812 /nfs/dbraw/zinc/86/98/12/737869812.db2.gz ONZDDQMGHTYHLK-SNVBAGLBSA-N -1 3 355.441 2.762 20 10 FFCDHM Cn1nc(C(F)(F)F)cc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000922716675 738191259 /nfs/dbraw/zinc/19/12/59/738191259.db2.gz RCPJYQASUXPFDZ-UHFFFAOYSA-N -1 3 364.711 2.996 20 10 FFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000790911591 739512325 /nfs/dbraw/zinc/51/23/25/739512325.db2.gz IACYBAYEYHWMFV-RYUDHWBXSA-N -1 3 350.415 2.568 20 10 FFCDHM C[C@H]1OCC[C@]12CN(Cc1cc(Br)ccc1[O-])C[C@@H](C)O2 ZINC000790932274 739515622 /nfs/dbraw/zinc/51/56/22/739515622.db2.gz NFIJIWYVKZLOJY-HSMVNMDESA-N -1 3 356.260 2.923 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000812776083 741650954 /nfs/dbraw/zinc/65/09/54/741650954.db2.gz RIXKDFSMBUVJQB-LLVKDONJSA-N -1 3 350.203 2.913 20 10 FFCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824571880 743109804 /nfs/dbraw/zinc/10/98/04/743109804.db2.gz PTBJXCXIFWPPFI-SNVBAGLBSA-N -1 3 362.829 2.502 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124495 743214287 /nfs/dbraw/zinc/21/42/87/743214287.db2.gz RDYJJYMUZHYENU-CABZTGNLSA-N -1 3 354.166 2.900 20 10 FFCDHM CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825692817 743312259 /nfs/dbraw/zinc/31/22/59/743312259.db2.gz OFHKMEQLVUKCME-GYCJOSAFSA-N -1 3 367.902 2.876 20 10 FFCDHM CCOCc1nc([C@@H](C)NCc2ccc(Br)cc2[O-])no1 ZINC000825948651 743347580 /nfs/dbraw/zinc/34/75/80/743347580.db2.gz HMJLPJFZWFQESV-SECBINFHSA-N -1 3 356.220 2.925 20 10 FFCDHM CC(C)(C)OC(=O)NCCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000844028729 747953282 /nfs/dbraw/zinc/95/32/82/747953282.db2.gz SWDWWNCLAXFJMU-UHFFFAOYSA-N -1 3 352.431 2.913 20 10 FFCDHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000844662578 748069478 /nfs/dbraw/zinc/06/94/78/748069478.db2.gz GUBQHTUHWUTLKK-INIZCTEOSA-N -1 3 373.471 2.791 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC23CCCCC3)c1 ZINC000848051749 748834381 /nfs/dbraw/zinc/83/43/81/748834381.db2.gz YLARZCNWPBTDSD-UHFFFAOYSA-N -1 3 370.496 2.613 20 10 FFCDHM COc1cc(C)cc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1O ZINC000853622411 750117120 /nfs/dbraw/zinc/11/71/20/750117120.db2.gz XNGTXXFGHNIMRZ-YPMHNXCESA-N -1 3 360.376 2.598 20 10 FFCDHM CC(C)CN1C[C@@]2(F)CN(Cc3c([O-])cccc3Cl)C[C@@]2(F)C1=O ZINC001275841014 1013070696 /nfs/dbraw/zinc/07/06/96/1013070696.db2.gz VHEHVNIVUQRJNH-DLBZAZTESA-N -1 3 358.816 2.776 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c([O-])c1O ZINC000177675290 969299936 /nfs/dbraw/zinc/29/99/36/969299936.db2.gz WCNQMGOVBOEVIU-UHFFFAOYSA-N -1 3 356.422 2.533 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)CC2(CC(=O)[O-])CCC2)N(C)C)cc1 ZINC000899854037 977365694 /nfs/dbraw/zinc/36/56/94/977365694.db2.gz FLZWPLXXWFRBET-KRWDZBQOSA-N -1 3 361.486 2.507 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000921695076 986739510 /nfs/dbraw/zinc/73/95/10/986739510.db2.gz MOLJGKHMYBHDDL-QGZVFWFLSA-N -1 3 371.412 2.522 20 10 FFCDHM CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922076733 987617154 /nfs/dbraw/zinc/61/71/54/987617154.db2.gz NBIOQFSRMGCJLQ-GFCCVEGCSA-N -1 3 367.421 2.588 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1[O-] ZINC000175592716 991223609 /nfs/dbraw/zinc/22/36/09/991223609.db2.gz VTSVDJXVLAMBLN-GOSISDBHSA-N -1 3 356.397 2.797 20 10 FFCDHM C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593356415 995001992 /nfs/dbraw/zinc/00/19/92/995001992.db2.gz FVLTWGKZAHHDEO-YPMHNXCESA-N -1 3 350.415 2.750 20 10 FFCDHM CCN1CCN(c2ccc(CNC(=O)c3ccccc3[O-])cc2F)CC1 ZINC000730194741 996958764 /nfs/dbraw/zinc/95/87/64/996958764.db2.gz OOXMTEUQBUMUNR-UHFFFAOYSA-N -1 3 357.429 2.603 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@](O)(CF)CC1 ZINC001144298295 998285013 /nfs/dbraw/zinc/28/50/13/998285013.db2.gz ATIUDRQHWCHIBB-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM O=C1CCCN1C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144308206 998304108 /nfs/dbraw/zinc/30/41/08/998304108.db2.gz SKAQPHHARDBWEW-UHFFFAOYSA-N -1 3 371.250 2.881 20 10 FFCDHM COC(=O)c1coc(=O)c(NCc2cc(Br)ccc2[O-])c1 ZINC001171178395 998508695 /nfs/dbraw/zinc/50/86/95/998508695.db2.gz YWFSNBQHNKZWMH-UHFFFAOYSA-N -1 3 354.156 2.507 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(Oc3ncc(C)cn3)CC2)c1[O-] ZINC000847034726 1000525755 /nfs/dbraw/zinc/52/57/55/1000525755.db2.gz LPAWHXHEDFYBIB-UHFFFAOYSA-N -1 3 359.401 2.876 20 10 FFCDHM Cn1nc(NC(=O)c2cccc(O)c2[O-])c2ccc(Br)cc21 ZINC001148212582 1001068095 /nfs/dbraw/zinc/06/80/95/1001068095.db2.gz FLGKDYQHNIKLMQ-UHFFFAOYSA-N -1 3 362.183 2.999 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001148214098 1001069292 /nfs/dbraw/zinc/06/92/92/1001069292.db2.gz OJBSMOOIZZBTEA-HZPDHXFCSA-N -1 3 352.390 2.508 20 10 FFCDHM CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148219093 1001071791 /nfs/dbraw/zinc/07/17/91/1001071791.db2.gz RWBHADLTJUPUON-UHFFFAOYSA-N -1 3 367.361 2.713 20 10 FFCDHM COC(=O)c1cccc([C@@H]2CCCN2C(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148588672 1001176482 /nfs/dbraw/zinc/17/64/82/1001176482.db2.gz ZPLJONFRJORNLF-AWEZNQCLSA-N -1 3 357.362 2.567 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CC1=O)COCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001276192775 1016505664 /nfs/dbraw/zinc/50/56/64/1016505664.db2.gz SCWDUUQTSILJAY-ORAYPTAESA-N -1 3 368.424 2.520 20 10 FFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000790539000 1002395466 /nfs/dbraw/zinc/39/54/66/1002395466.db2.gz LRYQBVQHTMRBSK-LLVKDONJSA-N -1 3 355.394 2.873 20 10 FFCDHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC001198722850 1004711808 /nfs/dbraw/zinc/71/18/08/1004711808.db2.gz MHLSHLOCEMRCBY-NSHDSACASA-N -1 3 369.874 2.849 20 10 FFCDHM CCc1cc(S(=O)(=O)NCc2c([O-])cccc2F)c(C)cc1OC ZINC001195136831 1004899958 /nfs/dbraw/zinc/89/99/58/1004899958.db2.gz MPGQCIGSVPRKSB-UHFFFAOYSA-N -1 3 353.415 2.889 20 10 FFCDHM CCOc1ccc(C2(CNC(=O)c3cccc(O)c3[O-])CCOCC2)cc1 ZINC000776338972 1005368916 /nfs/dbraw/zinc/36/89/16/1005368916.db2.gz MZWQMTJGDZSFJN-UHFFFAOYSA-N -1 3 371.433 2.975 20 10 FFCDHM COC(=O)N1CCN(c2ccc(N[C@@H](C)c3ccc(F)cc3[O-])cn2)CC1 ZINC000815654919 1006727088 /nfs/dbraw/zinc/72/70/88/1006727088.db2.gz CSLCWRQXASIHTG-ZDUSSCGKSA-N -1 3 374.416 2.988 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001178412661 1008982695 /nfs/dbraw/zinc/98/26/95/1008982695.db2.gz DAJFNKMLEPBHEG-CYBMUJFWSA-N -1 3 362.788 2.854 20 10 FFCDHM C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001206810945 1032439302 /nfs/dbraw/zinc/43/93/02/1032439302.db2.gz XACQZIHZPCVRDL-PELKAZGASA-N -1 3 352.303 2.559 20 10 FFCDHM C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001206810945 1032439305 /nfs/dbraw/zinc/43/93/05/1032439305.db2.gz XACQZIHZPCVRDL-PELKAZGASA-N -1 3 352.303 2.559 20 10 FFCDHM Cc1ccnc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217056605 1032598557 /nfs/dbraw/zinc/59/85/57/1032598557.db2.gz LTZMTPWMZQNSCN-UHFFFAOYSA-N -1 3 352.394 2.645 20 10 FFCDHM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)ccc1[O-] ZINC001275248883 1012141804 /nfs/dbraw/zinc/14/18/04/1012141804.db2.gz UIENUGLWEPPNCW-ORAYPTAESA-N -1 3 364.873 2.980 20 10 FFCDHM O=C1N(Cc2cnoc2)CC[C@@]12CCCN2Cc1cc(Cl)ccc1[O-] ZINC001275255004 1012147622 /nfs/dbraw/zinc/14/76/22/1012147622.db2.gz XHEWHTIFIBUCHP-SFHVURJKSA-N -1 3 361.829 2.801 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707340 1019083394 /nfs/dbraw/zinc/08/33/94/1019083394.db2.gz CWCDCJDDUIKYKB-BFUOFWGJSA-N -1 3 364.417 2.795 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2c([O-])cccc2F)C1(F)F ZINC000928709419 1019083681 /nfs/dbraw/zinc/08/36/81/1019083681.db2.gz IGLWKQJGOZPHOU-ZWNOBZJWSA-N -1 3 374.359 2.554 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2CC(c3ccccc3)C2)c1 ZINC000802188543 1019860164 /nfs/dbraw/zinc/86/01/64/1019860164.db2.gz HTKUQCPNSFVTJZ-UHFFFAOYSA-N -1 3 374.462 2.687 20 10 FFCDHM O=c1ccccn1C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000800313030 1020208314 /nfs/dbraw/zinc/20/83/14/1020208314.db2.gz AIMBALBMRSRXRE-SFHVURJKSA-N -1 3 365.389 2.993 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1F ZINC000900634982 1020557021 /nfs/dbraw/zinc/55/70/21/1020557021.db2.gz BVTVHAWRHDCXHB-UHFFFAOYSA-N -1 3 358.417 2.975 20 10 FFCDHM COCC(=O)Nc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000756866004 1023760934 /nfs/dbraw/zinc/76/09/34/1023760934.db2.gz XADRFAXXRDKRBT-GFCCVEGCSA-N -1 3 358.394 2.937 20 10 FFCDHM CNC(=O)CCOc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000757592564 1023831889 /nfs/dbraw/zinc/83/18/89/1023831889.db2.gz IWSVTMUQLFWZQH-CYBMUJFWSA-N -1 3 372.421 2.867 20 10 FFCDHM O=C(Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)c1cccc(O)c1[O-] ZINC001160920068 1027923492 /nfs/dbraw/zinc/92/34/92/1027923492.db2.gz NGWQEGSSSYDJMI-UHFFFAOYSA-N -1 3 368.267 2.700 20 10 FFCDHM NC(=O)c1ccc(OC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142527052 1030579621 /nfs/dbraw/zinc/57/96/21/1030579621.db2.gz IOQBGAIOJRTYQI-UHFFFAOYSA-N -1 3 362.376 2.813 20 10 FFCDHM CC1=NC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C(=O)N1C ZINC001203584368 1030772149 /nfs/dbraw/zinc/77/21/49/1030772149.db2.gz AAUKJPAWJFAMJZ-UHFFFAOYSA-N -1 3 356.253 2.924 20 10 FFCDHM CC[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(F)cc1[O-] ZINC000796971041 1030970559 /nfs/dbraw/zinc/97/05/59/1030970559.db2.gz GILUBBFIFKVEOW-GOSISDBHSA-N -1 3 357.429 2.938 20 10 FFCDHM COc1ccccc1CCNC(=O)CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000798002128 1031279901 /nfs/dbraw/zinc/27/99/01/1031279901.db2.gz YDOOHTYUOCQTDJ-LBPRGKRZSA-N -1 3 364.392 2.689 20 10 FFCDHM CCOCCN1CC[C@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967101 1033862289 /nfs/dbraw/zinc/86/22/89/1033862289.db2.gz CTWWYUZDYCBBNH-GOSISDBHSA-N -1 3 370.852 2.788 20 10 FFCDHM CCCCN1C[C@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968154 1033866870 /nfs/dbraw/zinc/86/68/70/1033866870.db2.gz YJMPZMLBJSMQGC-GOSISDBHSA-N -1 3 370.852 2.788 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CCc3ccccc32)c1 ZINC000833399500 1035181925 /nfs/dbraw/zinc/18/19/25/1035181925.db2.gz ZBCGQEKTBLNVRS-AWEZNQCLSA-N -1 3 374.462 2.614 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3nccnc3Cl)CC2)cc1Cl ZINC001232266255 1035538245 /nfs/dbraw/zinc/53/82/45/1035538245.db2.gz LIQCFKHYFYDONK-UHFFFAOYSA-N -1 3 369.252 2.820 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)cc1Cl ZINC001232270842 1035539994 /nfs/dbraw/zinc/53/99/94/1035539994.db2.gz KDZHQAUCYLMDPL-CQSZACIVSA-N -1 3 367.877 2.824 20 10 FFCDHM O=C(c1ccccc1)N1C[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]2C1 ZINC001140581407 1035662473 /nfs/dbraw/zinc/66/24/73/1035662473.db2.gz RQSNKVKNJFAAKA-GJZGRUSLSA-N -1 3 358.388 2.874 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCc2cccnc2C1 ZINC001232980614 1036214341 /nfs/dbraw/zinc/21/43/41/1036214341.db2.gz UVTXJDRQSLGIMI-UHFFFAOYSA-N -1 3 366.202 2.950 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3c([O-])cc(Br)cc3F)CC[C@H]21 ZINC001233033944 1036275409 /nfs/dbraw/zinc/27/54/09/1036275409.db2.gz YWDAKUXNRVSMOU-QMTHXVAHSA-N -1 3 371.250 2.737 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)C[C@@]2(C)CO)cc1Br ZINC001233135357 1036385817 /nfs/dbraw/zinc/38/58/17/1036385817.db2.gz QWDUXUOFMAQARP-ZDUSSCGKSA-N -1 3 366.202 2.755 20 10 FFCDHM COc1cc([O-])c(CN2CCc3ncncc3C2)cc1Br ZINC001233140917 1036389853 /nfs/dbraw/zinc/38/98/53/1036389853.db2.gz XVMVPZHJFUCHRR-UHFFFAOYSA-N -1 3 350.216 2.512 20 10 FFCDHM O=C1NCN(c2ccccc2)C12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233331624 1036539422 /nfs/dbraw/zinc/53/94/22/1036539422.db2.gz DMZDTIGCRQJUOF-UHFFFAOYSA-N -1 3 373.403 2.599 20 10 FFCDHM C=CC(=O)OC[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191478 1036541740 /nfs/dbraw/zinc/54/17/40/1036541740.db2.gz AWNMLAAKGDJIAW-LLVKDONJSA-N -1 3 352.342 2.664 20 10 FFCDHM COC[C@@H](C)OC[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192616 1036542935 /nfs/dbraw/zinc/54/29/35/1036542935.db2.gz QHZNDXRJBGZIII-OLZOCXBDSA-N -1 3 370.401 2.986 20 10 FFCDHM CNC(=O)c1cnc2n1CCN(Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234989103 1037280440 /nfs/dbraw/zinc/28/04/40/1037280440.db2.gz SRKPPABTCUVTSJ-UHFFFAOYSA-N -1 3 362.433 2.631 20 10 FFCDHM COCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277511062 1037555575 /nfs/dbraw/zinc/55/55/75/1037555575.db2.gz VALBYFBWKPBHAS-HZPDHXFCSA-N -1 3 370.852 2.787 20 10 FFCDHM O=C([O-])c1ccc(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(O)c1 ZINC001231452856 1037591489 /nfs/dbraw/zinc/59/14/89/1037591489.db2.gz HFUAWZKDPRORMS-QGZVFWFLSA-N -1 3 372.396 2.624 20 10 FFCDHM O=C([O-])c1ccc(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1 ZINC001231453325 1037594301 /nfs/dbraw/zinc/59/43/01/1037594301.db2.gz LEWDXCZMOQEQHB-OAHLLOKOSA-N -1 3 372.396 2.624 20 10 FFCDHM CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454178 1037595163 /nfs/dbraw/zinc/59/51/63/1037595163.db2.gz OSDDIQRAGREBLG-UHFFFAOYSA-N -1 3 352.431 2.779 20 10 FFCDHM CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454178 1037595172 /nfs/dbraw/zinc/59/51/72/1037595172.db2.gz OSDDIQRAGREBLG-UHFFFAOYSA-N -1 3 352.431 2.779 20 10 FFCDHM COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231453639 1037595561 /nfs/dbraw/zinc/59/55/61/1037595561.db2.gz NNXZXZHHEKRPSJ-INIZCTEOSA-N -1 3 358.394 2.537 20 10 FFCDHM COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231453639 1037595569 /nfs/dbraw/zinc/59/55/69/1037595569.db2.gz NNXZXZHHEKRPSJ-INIZCTEOSA-N -1 3 358.394 2.537 20 10 FFCDHM CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231454687 1037597449 /nfs/dbraw/zinc/59/74/49/1037597449.db2.gz TYZDCHQOLVQQCR-UHFFFAOYSA-N -1 3 374.393 2.635 20 10 FFCDHM COc1cc(N2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)ccn1 ZINC001236810681 1038285207 /nfs/dbraw/zinc/28/52/07/1038285207.db2.gz XOWPOPAGHVSDSV-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM COc1cc([O-])c(CN(C)[C@H]2CCCN(C(C)=O)C2)c(Br)c1 ZINC001237067348 1038432693 /nfs/dbraw/zinc/43/26/93/1038432693.db2.gz IHKQTGFJAMDXBF-LBPRGKRZSA-N -1 3 371.275 2.606 20 10 FFCDHM CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251411436 1039116339 /nfs/dbraw/zinc/11/63/39/1039116339.db2.gz AQNQBITYJUAVFO-NSHDSACASA-N -1 3 367.298 2.804 20 10 FFCDHM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001278491271 1039883515 /nfs/dbraw/zinc/88/35/15/1039883515.db2.gz SLNUFNMTFLYSDX-OKILXGFUSA-N -1 3 358.829 2.931 20 10 FFCDHM O=C(Nc1cccnc1)N1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001278568750 1041204492 /nfs/dbraw/zinc/20/44/92/1041204492.db2.gz HZJSECVUGQKOHJ-UHFFFAOYSA-N -1 3 358.829 2.790 20 10 FFCDHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(F)c1F)C2 ZINC001279488175 1043173269 /nfs/dbraw/zinc/17/32/69/1043173269.db2.gz GANXKAMDLWLCSA-KGLIPLIRSA-N -1 3 362.424 2.593 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001279525258 1043224464 /nfs/dbraw/zinc/22/44/64/1043224464.db2.gz KZYXGSVKNHRHNW-CALCHBBNSA-N -1 3 357.429 2.667 20 10 FFCDHM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccncc1 ZINC001237622819 1043279560 /nfs/dbraw/zinc/27/95/60/1043279560.db2.gz BKQSLYIYAOOTSN-UHFFFAOYSA-N -1 3 363.820 2.974 20 10 FFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(CCN2CCn2ccnc2)C1 ZINC001279664973 1043428063 /nfs/dbraw/zinc/42/80/63/1043428063.db2.gz HHVRPYCWTTZQGM-UHFFFAOYSA-N -1 3 367.280 2.856 20 10 FFCDHM Cc1noc(NC(=O)[C@@]23C[C@@H]2CN(Cc2c(F)ccc(F)c2[O-])C3)c1C ZINC001279733579 1043552086 /nfs/dbraw/zinc/55/20/86/1043552086.db2.gz SPEILUPCPQUSMB-ADLMAVQZSA-N -1 3 363.364 2.736 20 10 FFCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238235656 1043618342 /nfs/dbraw/zinc/61/83/42/1043618342.db2.gz WAWADMLBVPANIM-UHFFFAOYSA-N -1 3 358.413 2.993 20 10 FFCDHM Cn1ncc(C(=O)[N-]c2c3nonc3ccc2Cl)c1Br ZINC001324141936 1045887411 /nfs/dbraw/zinc/88/74/11/1045887411.db2.gz RHHUAXZNYPKLLP-UHFFFAOYSA-N -1 3 356.567 2.625 20 10 FFCDHM CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC001324764366 1046212889 /nfs/dbraw/zinc/21/28/89/1046212889.db2.gz NMANGHMODPOEON-UHFFFAOYSA-N -1 3 354.472 2.852 20 10 FFCDHM CN(C)S(=O)(=O)c1cc(NCc2cc(F)c(F)cc2[O-])ccc1F ZINC001308845981 1052506758 /nfs/dbraw/zinc/50/67/58/1052506758.db2.gz XCDJEAFPJRFXGV-UHFFFAOYSA-N -1 3 360.357 2.672 20 10 FFCDHM CN1CCN(c2ccc(CNCc3cccc(C(=O)[O-])c3)cc2F)CC1 ZINC001335966760 1053675801 /nfs/dbraw/zinc/67/58/01/1053675801.db2.gz TYIWCVQBGAEFRX-UHFFFAOYSA-N -1 3 357.429 2.566 20 10 FFCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC001337694995 1054950892 /nfs/dbraw/zinc/95/08/92/1054950892.db2.gz PJFTWKJHBGCMNL-HNNXBMFYSA-N -1 3 366.414 2.784 20 10 FFCDHM CN(CCc1nccs1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001338749803 1055782890 /nfs/dbraw/zinc/78/28/90/1055782890.db2.gz SOYMTXVTCAYKLX-UHFFFAOYSA-N -1 3 372.479 2.933 20 10 FFCDHM CCc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC001445881310 1058453040 /nfs/dbraw/zinc/45/30/40/1058453040.db2.gz ITGAXMWZHPOHDZ-AWEZNQCLSA-N -1 3 363.845 2.990 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccns1 ZINC001545632696 1071823251 /nfs/dbraw/zinc/82/32/51/1071823251.db2.gz SLTWHYKPJNYEDW-CYBMUJFWSA-N -1 3 351.859 2.897 20 10 FFCDHM COc1ccccc1-n1ncc(C(=O)NCc2c([O-])cccc2F)c1C ZINC001456031066 1059990290 /nfs/dbraw/zinc/99/02/90/1059990290.db2.gz WMLCDGHPQXDRIN-UHFFFAOYSA-N -1 3 355.369 2.964 20 10 FFCDHM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1c(F)ccc(O)c1O ZINC001457976879 1060483900 /nfs/dbraw/zinc/48/39/00/1060483900.db2.gz ZPPTTXKONXQCJQ-UHFFFAOYSA-N -1 3 373.234 2.995 20 10 FFCDHM CNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1[O-])CC2 ZINC001462088244 1061498994 /nfs/dbraw/zinc/49/89/94/1061498994.db2.gz FPWZQFPNRZVOLW-UHFFFAOYSA-N -1 3 352.843 2.516 20 10 FFCDHM COc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001464527421 1062666504 /nfs/dbraw/zinc/66/65/04/1062666504.db2.gz HZPJVWHMXNIKQD-CQSZACIVSA-N -1 3 356.422 2.728 20 10 FFCDHM COc1ccc(N2CCC(NC(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1 ZINC001464703078 1062772657 /nfs/dbraw/zinc/77/26/57/1062772657.db2.gz IYZUHRTUBWYUAD-UHFFFAOYSA-N -1 3 369.400 2.504 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)cc1 ZINC001561085915 1076330528 /nfs/dbraw/zinc/33/05/28/1076330528.db2.gz NGZYAXXNRCLISU-HSZRJFAPSA-N -1 3 373.544 2.518 20 10 FFCDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)c(F)c1F ZINC001561181429 1076343406 /nfs/dbraw/zinc/34/34/06/1076343406.db2.gz KDZMZXULYBPSFP-UHFFFAOYSA-N -1 3 358.385 2.957 20 10 FFCDHM CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC001586225140 1079578275 /nfs/dbraw/zinc/57/82/75/1079578275.db2.gz GWEZQYDSHLJAMF-UHFFFAOYSA-N -1 3 352.431 2.911 20 10 FFCDHM CC(=Cc1cccnc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588772767 1080189703 /nfs/dbraw/zinc/18/97/03/1080189703.db2.gz RKXVWUNSEQSGEY-FLIBITNWSA-N -1 3 354.801 2.981 20 10 FFCDHM CC(=Cc1cccnc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588772767 1080189707 /nfs/dbraw/zinc/18/97/07/1080189707.db2.gz RKXVWUNSEQSGEY-FLIBITNWSA-N -1 3 354.801 2.981 20 10 FFCDHM CC(=O)CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000368928369 512140032 /nfs/dbraw/zinc/14/00/32/512140032.db2.gz FFYFULBLPSJJFI-INIZCTEOSA-N -1 3 352.862 2.886 20 10 FFCDHM CC[C@H](NCc1nnc2n1CCOC2)c1cc(Br)ccc1[O-] ZINC000368990841 512171444 /nfs/dbraw/zinc/17/14/44/512171444.db2.gz PEYVVWTXHHMBJG-LBPRGKRZSA-N -1 3 367.247 2.517 20 10 FFCDHM CC(C)C[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092599715 508086101 /nfs/dbraw/zinc/08/61/01/508086101.db2.gz OZYZFOHLRWTLAD-AWEZNQCLSA-N -1 3 354.472 2.805 20 10 FFCDHM CCN1CCN([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000093133025 508122989 /nfs/dbraw/zinc/12/29/89/508122989.db2.gz AQXPADJNTNFNPQ-HNNXBMFYSA-N -1 3 358.313 2.911 20 10 FFCDHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000115721046 508431143 /nfs/dbraw/zinc/43/11/43/508431143.db2.gz IUNSLCILHRXJHD-UKRRQHHQSA-N -1 3 374.462 2.782 20 10 FFCDHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000115721041 508431169 /nfs/dbraw/zinc/43/11/69/508431169.db2.gz IUNSLCILHRXJHD-HIFRSBDPSA-N -1 3 374.462 2.782 20 10 FFCDHM Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c([O-])c1O ZINC000267560966 509542462 /nfs/dbraw/zinc/54/24/62/509542462.db2.gz GJGKDCVDWGISHV-OAHLLOKOSA-N -1 3 357.406 2.933 20 10 FFCDHM C[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1[O-] ZINC000187920157 510501224 /nfs/dbraw/zinc/50/12/24/510501224.db2.gz IQNRGSVCCCDDAL-LLVKDONJSA-N -1 3 367.371 2.892 20 10 FFCDHM CCCNC(=O)CCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000266546127 510651406 /nfs/dbraw/zinc/65/14/06/510651406.db2.gz QPEXURRQVCONAE-UHFFFAOYSA-N -1 3 371.275 2.810 20 10 FFCDHM COc1c([O-])c(CNCc2cccnc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000278309858 510988181 /nfs/dbraw/zinc/98/81/81/510988181.db2.gz DWEJCLMNFJLJTA-UHFFFAOYSA-N -1 3 369.324 2.638 20 10 FFCDHM COc1c([O-])c(CNCc2ccnc(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000278544327 510997376 /nfs/dbraw/zinc/99/73/76/510997376.db2.gz XYSXPFFXCBWSRT-UHFFFAOYSA-N -1 3 372.425 2.984 20 10 FFCDHM CCCNC(=O)c1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278561721 510998395 /nfs/dbraw/zinc/99/83/95/510998395.db2.gz BHBJZLIYRGIQEW-UHFFFAOYSA-N -1 3 373.409 2.739 20 10 FFCDHM COc1cc2c(cc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-])O[C@H](C)C2 ZINC000278948962 511014478 /nfs/dbraw/zinc/01/44/78/511014478.db2.gz ZBDIYVJPDXBJOO-LLVKDONJSA-N -1 3 374.393 2.931 20 10 FFCDHM COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cc(F)ccc1[O-] ZINC000289320769 511098472 /nfs/dbraw/zinc/09/84/72/511098472.db2.gz FQSUBCAXUMDALQ-UHFFFAOYSA-N -1 3 366.414 2.593 20 10 FFCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)c([O-])c1O ZINC000271238354 511133079 /nfs/dbraw/zinc/13/30/79/511133079.db2.gz DDPWVLUAJYYHFP-LBPRGKRZSA-N -1 3 361.419 2.582 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c(C)nnn1CC ZINC000294867992 511203890 /nfs/dbraw/zinc/20/38/90/511203890.db2.gz GRVAIIIBJFRWOW-UHFFFAOYSA-N -1 3 367.247 2.737 20 10 FFCDHM CC[C@H]1C[C@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000273008212 511515551 /nfs/dbraw/zinc/51/55/51/511515551.db2.gz PMMYRLPTFTZAEQ-DOMZBBRYSA-N -1 3 369.845 2.752 20 10 FFCDHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280663689 511554466 /nfs/dbraw/zinc/55/44/66/511554466.db2.gz OQVNLXIPEBXABL-GFCCVEGCSA-N -1 3 364.442 2.863 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN([C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000296272363 511680293 /nfs/dbraw/zinc/68/02/93/511680293.db2.gz DRCAUXREHWIUGH-YYUOZPCZSA-N -1 3 373.902 2.883 20 10 FFCDHM O=S1(=O)C[C@@H](NCc2cc(Br)ccc2[O-])c2ccccc21 ZINC000364058957 511936157 /nfs/dbraw/zinc/93/61/57/511936157.db2.gz XWKLBXIBLHBXTF-CYBMUJFWSA-N -1 3 368.252 2.773 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c([O-])c1O ZINC000281845705 511987608 /nfs/dbraw/zinc/98/76/08/511987608.db2.gz XQCYBSUSOPJISG-INIZCTEOSA-N -1 3 370.405 2.576 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000275090522 512038208 /nfs/dbraw/zinc/03/82/08/512038208.db2.gz GTJZUOSZXFMATP-HNNXBMFYSA-N -1 3 365.332 2.913 20 10 FFCDHM O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000373705797 512465950 /nfs/dbraw/zinc/46/59/50/512465950.db2.gz BBPDAVYWCYRVEC-UONOGXRCSA-N -1 3 354.244 2.725 20 10 FFCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000367530136 512545873 /nfs/dbraw/zinc/54/58/73/512545873.db2.gz AKOPIEHGIQEOIS-HNNXBMFYSA-N -1 3 363.307 2.661 20 10 FFCDHM C[C@]1(Br)C[C@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529391063 517119911 /nfs/dbraw/zinc/11/99/11/517119911.db2.gz XHAKZGPOPSWKTM-CABZTGNLSA-N -1 3 363.049 2.944 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821221099 607305383 /nfs/dbraw/zinc/30/53/83/607305383.db2.gz IFTIGXNZUTYHJH-UHFFFAOYSA-N -1 3 367.413 2.867 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821221099 607305384 /nfs/dbraw/zinc/30/53/84/607305384.db2.gz IFTIGXNZUTYHJH-UHFFFAOYSA-N -1 3 367.413 2.867 20 10 FFCDHM Fc1ccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737656570 598317969 /nfs/dbraw/zinc/31/79/69/598317969.db2.gz OPJVCMBMZNKNEB-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Fc1ccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737656570 598317971 /nfs/dbraw/zinc/31/79/71/598317971.db2.gz OPJVCMBMZNKNEB-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234336 598610640 /nfs/dbraw/zinc/61/06/40/598610640.db2.gz PJVHKOMUNBWMGE-LBPRGKRZSA-N -1 3 350.426 2.803 20 10 FFCDHM CC(=O)CCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735458195 598622668 /nfs/dbraw/zinc/62/26/68/598622668.db2.gz IZHKLWYNFFPBGE-UHFFFAOYSA-N -1 3 367.409 2.800 20 10 FFCDHM Fc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000822782966 599486616 /nfs/dbraw/zinc/48/66/16/599486616.db2.gz NXDDVAMLLPZXFK-UHFFFAOYSA-N -1 3 372.379 2.594 20 10 FFCDHM Fc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000822782966 599486619 /nfs/dbraw/zinc/48/66/19/599486619.db2.gz NXDDVAMLLPZXFK-UHFFFAOYSA-N -1 3 372.379 2.594 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000826208972 607489385 /nfs/dbraw/zinc/48/93/85/607489385.db2.gz IGSNVKSICDRRQC-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000826208972 607489386 /nfs/dbraw/zinc/48/93/86/607489386.db2.gz IGSNVKSICDRRQC-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812367 605599648 /nfs/dbraw/zinc/59/96/48/605599648.db2.gz IYOGZRQXOBKFFP-GDBMZVCRSA-N -1 3 365.449 2.530 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)c1[O-] ZINC000833898532 605989262 /nfs/dbraw/zinc/98/92/62/605989262.db2.gz VJIXWSSGLVXYFV-NSHDSACASA-N -1 3 357.248 2.943 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)c1[O-] ZINC000833898532 605989265 /nfs/dbraw/zinc/98/92/65/605989265.db2.gz VJIXWSSGLVXYFV-NSHDSACASA-N -1 3 357.248 2.943 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@@H](CNC(=O)[O-])C2)c1O ZINC000833898532 605989267 /nfs/dbraw/zinc/98/92/67/605989267.db2.gz VJIXWSSGLVXYFV-NSHDSACASA-N -1 3 357.248 2.943 20 10 FFCDHM COC(=O)CN(CC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000109779798 728528951 /nfs/dbraw/zinc/52/89/51/728528951.db2.gz XJYXREAOXMFENL-UHFFFAOYSA-N -1 3 362.813 2.659 20 10 FFCDHM CCOC(=O)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000179748022 729193430 /nfs/dbraw/zinc/19/34/30/729193430.db2.gz DVGOLFPNOHXIKU-UHFFFAOYSA-N -1 3 357.248 2.819 20 10 FFCDHM O=C(C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)N1CCCC1 ZINC000179819468 729196081 /nfs/dbraw/zinc/19/60/81/729196081.db2.gz GAUVWHDMFINLQE-UHFFFAOYSA-N -1 3 367.833 2.788 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000195318532 729536117 /nfs/dbraw/zinc/53/61/17/729536117.db2.gz UOAXQYBNACFJTF-BETUJISGSA-N -1 3 354.878 2.789 20 10 FFCDHM CCc1noc(C[C@@]2(O)CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000856593738 730346774 /nfs/dbraw/zinc/34/67/74/730346774.db2.gz CIXRVDBEKBMTDK-KRWDZBQOSA-N -1 3 351.834 2.561 20 10 FFCDHM CCN(CC)C(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862219225 730677497 /nfs/dbraw/zinc/67/74/97/730677497.db2.gz DJISUOMIEHCSOL-UHFFFAOYSA-N -1 3 370.291 2.734 20 10 FFCDHM CN(Cc1ncnn1CC(F)F)Cc1c([O-])cccc1Br ZINC000862352030 730690788 /nfs/dbraw/zinc/69/07/88/730690788.db2.gz WVBFBCANARUVMF-UHFFFAOYSA-N -1 3 361.190 2.643 20 10 FFCDHM O=S1(=O)CC[C@]2(C1)CCCN(Cc1c([O-])cccc1Br)C2 ZINC000862387758 730695690 /nfs/dbraw/zinc/69/56/90/730695690.db2.gz PZJUTTPQEALDQV-OAHLLOKOSA-N -1 3 374.300 2.555 20 10 FFCDHM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000872477074 731776309 /nfs/dbraw/zinc/77/63/09/731776309.db2.gz CVTGKMMBUDORLR-AMXDTQDGSA-N -1 3 361.533 2.544 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC000781362911 738621222 /nfs/dbraw/zinc/62/12/22/738621222.db2.gz YEJLFDKHSLXHDZ-LBPRGKRZSA-N -1 3 350.415 2.617 20 10 FFCDHM CC(C)(C)c1nnc(CNCc2cc(Br)cc(F)c2[O-])[nH]1 ZINC000883144728 733341670 /nfs/dbraw/zinc/34/16/70/733341670.db2.gz YOJCPKDBEABVGG-UHFFFAOYSA-N -1 3 357.227 2.999 20 10 FFCDHM COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886601395 733808232 /nfs/dbraw/zinc/80/82/32/733808232.db2.gz ROMOLHFCMNSZMX-ZDUSSCGKSA-N -1 3 367.442 2.802 20 10 FFCDHM O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1cccc(F)c1 ZINC000725850193 734396298 /nfs/dbraw/zinc/39/62/98/734396298.db2.gz PZQLMAFEBIRELZ-UHFFFAOYSA-N -1 3 353.737 2.821 20 10 FFCDHM COC(=O)CN(CCn1nc(C)cc1C)Cc1cc(Cl)ccc1[O-] ZINC000731845416 734700390 /nfs/dbraw/zinc/70/03/90/734700390.db2.gz XKRIEABFRLCSGR-UHFFFAOYSA-N -1 3 351.834 2.534 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756536714 736339594 /nfs/dbraw/zinc/33/95/94/736339594.db2.gz SZNZRMSZQAGPIL-GHMZBOCLSA-N -1 3 370.421 2.990 20 10 FFCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cc2c(cc1Cl)OCCO2 ZINC000758169673 736458265 /nfs/dbraw/zinc/45/82/65/736458265.db2.gz XIPBNBQXNPMWRM-UHFFFAOYSA-N -1 3 359.762 2.757 20 10 FFCDHM Cc1cc(C)cc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000765633409 737139845 /nfs/dbraw/zinc/13/98/45/737139845.db2.gz DRTWKGADBAFHDG-UHFFFAOYSA-N -1 3 362.451 2.653 20 10 FFCDHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773090600 737870544 /nfs/dbraw/zinc/87/05/44/737870544.db2.gz YSLACSZCHDJJST-NSHDSACASA-N -1 3 368.480 2.640 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000787765816 739168376 /nfs/dbraw/zinc/16/83/76/739168376.db2.gz FLUCPTXPGOVYCS-OAHLLOKOSA-N -1 3 366.259 2.823 20 10 FFCDHM CCOC(=O)[C@@H](NCc1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000789582840 739370448 /nfs/dbraw/zinc/37/04/48/739370448.db2.gz ZWGTYJYCTBPWTH-ABAIWWIYSA-N -1 3 372.259 2.603 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000790911589 739512352 /nfs/dbraw/zinc/51/23/52/739512352.db2.gz IACYBAYEYHWMFV-NWDGAFQWSA-N -1 3 350.415 2.568 20 10 FFCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCCN1Cc1ccccn1 ZINC000790986163 739521750 /nfs/dbraw/zinc/52/17/50/739521750.db2.gz IASPFKZQDJZZKA-OAHLLOKOSA-N -1 3 363.820 2.861 20 10 FFCDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1c([O-])ccc(Cl)c1F ZINC000792175403 739646891 /nfs/dbraw/zinc/64/68/91/739646891.db2.gz SPFLSZOKJZWWRK-UHFFFAOYSA-N -1 3 362.829 2.504 20 10 FFCDHM O=C(NCc1ccc([O-])c(F)c1)NCc1cc(Br)ccc1O ZINC000806840945 741088839 /nfs/dbraw/zinc/08/88/39/741088839.db2.gz OACXBMNVTVNLAL-UHFFFAOYSA-N -1 3 369.190 2.999 20 10 FFCDHM [O-]c1c(Br)cccc1CN(CCCO)Cc1ccccn1 ZINC000809746009 741339634 /nfs/dbraw/zinc/33/96/34/741339634.db2.gz JLHGIUQYRHHLAL-UHFFFAOYSA-N -1 3 351.244 2.934 20 10 FFCDHM C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000816796059 742062259 /nfs/dbraw/zinc/06/22/59/742062259.db2.gz VGPRFFABMVECKZ-LBPRGKRZSA-N -1 3 352.431 2.911 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881474 742220369 /nfs/dbraw/zinc/22/03/69/742220369.db2.gz UONFTXXCQGCPKA-VHSXEESVSA-N -1 3 358.232 2.848 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881474 742220371 /nfs/dbraw/zinc/22/03/71/742220371.db2.gz UONFTXXCQGCPKA-VHSXEESVSA-N -1 3 358.232 2.848 20 10 FFCDHM Cc1ccnc(NC(=O)CN(C)Cc2ccc(Br)cc2[O-])c1 ZINC000824656519 743124475 /nfs/dbraw/zinc/12/44/75/743124475.db2.gz KIGGHQCRKZDVQS-UHFFFAOYSA-N -1 3 364.243 2.929 20 10 FFCDHM CCc1nc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)no1 ZINC000824769361 743145247 /nfs/dbraw/zinc/14/52/47/743145247.db2.gz TZJRJLJBYJUGRE-UHFFFAOYSA-N -1 3 350.850 2.617 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124496 743214573 /nfs/dbraw/zinc/21/45/73/743214573.db2.gz RDYJJYMUZHYENU-JOYOIKCWSA-N -1 3 354.166 2.900 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000837146917 746378193 /nfs/dbraw/zinc/37/81/93/746378193.db2.gz ISDCIDSDUGKJLP-CYBMUJFWSA-N -1 3 350.415 2.616 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000837769884 746515018 /nfs/dbraw/zinc/51/50/18/746515018.db2.gz GCVTZHIPALBZEL-CYBMUJFWSA-N -1 3 359.344 2.919 20 10 FFCDHM CCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000838332235 746620669 /nfs/dbraw/zinc/62/06/69/746620669.db2.gz WMLSMGXVCKNYCZ-HNNXBMFYSA-N -1 3 354.472 2.852 20 10 FFCDHM CC1(C)Oc2ccsc2[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])[C@@H]1O ZINC000839171196 746792796 /nfs/dbraw/zinc/79/27/96/746792796.db2.gz AODHKSDOAVRXDC-HIFRSBDPSA-N -1 3 350.396 2.725 20 10 FFCDHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839889403 746954743 /nfs/dbraw/zinc/95/47/43/746954743.db2.gz FFJGYAIRLJCUBS-UONOGXRCSA-N -1 3 354.472 2.708 20 10 FFCDHM Cc1cc([O-])c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(Cl)c1 ZINC000840916949 747224879 /nfs/dbraw/zinc/22/48/79/747224879.db2.gz LXHRPHNGWOMPPA-OAHLLOKOSA-N -1 3 366.889 2.957 20 10 FFCDHM Cn1nccc1[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000842775498 747684381 /nfs/dbraw/zinc/68/43/81/747684381.db2.gz PSZILSJYTHSWDV-OAHLLOKOSA-N -1 3 351.834 2.952 20 10 FFCDHM CC(C)[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CC=CC2 ZINC000844100355 747970020 /nfs/dbraw/zinc/97/00/20/747970020.db2.gz VYOMAYHWOWJYGW-MRXNPFEDSA-N -1 3 364.467 2.581 20 10 FFCDHM CC[C@@H]([NH2+]Cc1nnc(COC)[n-]1)c1cc(Br)ccc1[O-] ZINC000850512898 749378594 /nfs/dbraw/zinc/37/85/94/749378594.db2.gz BUVNWXPAYJKLQO-LLVKDONJSA-N -1 3 355.236 2.660 20 10 FFCDHM COc1cc(N(C)Cc2cc(-c3nnn[n-]3)ccc2F)cc(OC)c1OC ZINC000737054518 944940233 /nfs/dbraw/zinc/94/02/33/944940233.db2.gz RQCCPLDAETULHZ-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM COc1cc(N(C)Cc2cc(-c3nn[n-]n3)ccc2F)cc(OC)c1OC ZINC000737054518 944940242 /nfs/dbraw/zinc/94/02/42/944940242.db2.gz RQCCPLDAETULHZ-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM CN(Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1)C(=O)C(F)(F)F ZINC000192984408 971754833 /nfs/dbraw/zinc/75/48/33/971754833.db2.gz JCGSOLBKTQUNSS-UHFFFAOYSA-N -1 3 368.311 2.871 20 10 FFCDHM COc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1Cn1cccn1 ZINC001594095859 958400707 /nfs/dbraw/zinc/40/07/07/958400707.db2.gz GLGULWOBHLLPMZ-UHFFFAOYSA-N -1 3 351.406 2.928 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC000890817793 960608128 /nfs/dbraw/zinc/60/81/28/960608128.db2.gz JCBQEPQYDOYTMS-BUXKBTBVSA-N -1 3 362.426 2.617 20 10 FFCDHM CC(C)=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001271433609 972991097 /nfs/dbraw/zinc/99/10/97/972991097.db2.gz JQEGBWRBSVNWJI-HXUWFJFHSA-N -1 3 358.438 2.661 20 10 FFCDHM O=C1NC2(C[C@@H]1c1cccnc1)CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142520430 982527140 /nfs/dbraw/zinc/52/71/40/982527140.db2.gz JFVHFAHQGJYUMU-OAHLLOKOSA-N -1 3 373.403 2.704 20 10 FFCDHM CN1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3[O-])cc2)CC1 ZINC001132901320 995198782 /nfs/dbraw/zinc/19/87/82/995198782.db2.gz BTABIJZQRKVGHO-UHFFFAOYSA-N -1 3 359.857 2.727 20 10 FFCDHM COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C(=O)[O-])cc1O ZINC001599532533 997682653 /nfs/dbraw/zinc/68/26/53/997682653.db2.gz RBZXPMLYRRIYPQ-HNNXBMFYSA-N -1 3 367.785 2.684 20 10 FFCDHM COc1ccc([C@H](NCc2cc(Cl)cc(OC)c2O)C(=O)[O-])cc1O ZINC001599532533 997682661 /nfs/dbraw/zinc/68/26/61/997682661.db2.gz RBZXPMLYRRIYPQ-HNNXBMFYSA-N -1 3 367.785 2.684 20 10 FFCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCC(Cc3ccccc3)CC1)cc2=O ZINC000846231779 1000237899 /nfs/dbraw/zinc/23/78/99/1000237899.db2.gz PGGMWYMXHLCTEF-UHFFFAOYSA-N -1 3 366.421 2.588 20 10 FFCDHM CC(=O)Nc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccn1 ZINC001147828805 1000983622 /nfs/dbraw/zinc/98/36/22/1000983622.db2.gz FZPWJVLPQLXWON-UHFFFAOYSA-N -1 3 370.796 2.877 20 10 FFCDHM COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581763 1001174258 /nfs/dbraw/zinc/17/42/58/1001174258.db2.gz VJYUILDKWRDXBL-UHFFFAOYSA-N -1 3 374.374 2.760 20 10 FFCDHM CCOC(=O)c1cc2cc(NC(=O)c3cc(O)c([O-])c(O)c3)ccc2o1 ZINC001148588608 1001176908 /nfs/dbraw/zinc/17/69/08/1001176908.db2.gz WQLLPCAMXDWZCO-UHFFFAOYSA-N -1 3 357.318 2.979 20 10 FFCDHM COCCN(CCCOc1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790772184 1002485589 /nfs/dbraw/zinc/48/55/89/1002485589.db2.gz KAWXLKORVNYWGF-UHFFFAOYSA-N -1 3 363.385 2.795 20 10 FFCDHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cccc(O)c1[O-] ZINC000790932517 1002514816 /nfs/dbraw/zinc/51/48/16/1002514816.db2.gz ZPBUPCFDNBDJNI-YOEHRIQHSA-N -1 3 369.417 2.879 20 10 FFCDHM CCOC(=O)c1ncc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)[n-]1 ZINC001186828826 1003446519 /nfs/dbraw/zinc/44/65/19/1003446519.db2.gz IMESZQIEFBWWFB-UHFFFAOYSA-N -1 3 368.393 2.952 20 10 FFCDHM CCOC(=O)c1nc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)c[n-]1 ZINC001186828826 1003446524 /nfs/dbraw/zinc/44/65/24/1003446524.db2.gz IMESZQIEFBWWFB-UHFFFAOYSA-N -1 3 368.393 2.952 20 10 FFCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000861246263 1009316402 /nfs/dbraw/zinc/31/64/02/1009316402.db2.gz VRKNFXWGXPNVID-QGZVFWFLSA-N -1 3 356.422 2.533 20 10 FFCDHM Cc1cccc([O-])c1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000861947065 1009638006 /nfs/dbraw/zinc/63/80/06/1009638006.db2.gz OXRKHQHKZHIXJS-UHFFFAOYSA-N -1 3 362.376 2.745 20 10 FFCDHM Cc1cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cnc1C ZINC001217055785 1032598928 /nfs/dbraw/zinc/59/89/28/1032598928.db2.gz ACFYCOWWOFKKPO-UHFFFAOYSA-N -1 3 366.421 2.953 20 10 FFCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCCN1C(=O)c1ccccc1 ZINC000928704820 1019080982 /nfs/dbraw/zinc/08/09/82/1019080982.db2.gz DRIHEPWBCIATMH-HXUWFJFHSA-N -1 3 356.397 2.842 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cnn(-c3ccccc3)n2)c1[O-] ZINC000750816961 1022577121 /nfs/dbraw/zinc/57/71/21/1022577121.db2.gz FNJPRUSVAXFYHN-UHFFFAOYSA-N -1 3 354.385 2.947 20 10 FFCDHM O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517431 1030565553 /nfs/dbraw/zinc/56/55/53/1030565553.db2.gz MZAMWJNGJKVKFQ-AWEZNQCLSA-N -1 3 350.409 2.941 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001142517144 1030565958 /nfs/dbraw/zinc/56/59/58/1030565958.db2.gz BOGYNXMZIXCWIL-UHFFFAOYSA-N -1 3 362.424 2.869 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517614 1030566061 /nfs/dbraw/zinc/56/60/61/1030566061.db2.gz UCFBYTKQAIUKIX-UHFFFAOYSA-N -1 3 350.413 2.723 20 10 FFCDHM Cc1cnc2c(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cnn2c1 ZINC001151146210 1031865750 /nfs/dbraw/zinc/86/57/50/1031865750.db2.gz FPTZPHQNGLRFFV-UHFFFAOYSA-N -1 3 367.796 2.875 20 10 FFCDHM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967510 1033864947 /nfs/dbraw/zinc/86/49/47/1033864947.db2.gz NIAMPPODOWONFE-UHNFBRDESA-N -1 3 368.836 2.728 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001277097474 1034517134 /nfs/dbraw/zinc/51/71/34/1034517134.db2.gz HSFCQFRIUCHAJC-BFUOFWGJSA-N -1 3 368.424 2.520 20 10 FFCDHM COC(C[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)OC ZINC001226379270 1034658198 /nfs/dbraw/zinc/65/81/98/1034658198.db2.gz AJIXQRKRNWPHSD-NSHDSACASA-N -1 3 356.374 2.944 20 10 FFCDHM CCOC(=O)C[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380516 1034659335 /nfs/dbraw/zinc/65/93/35/1034659335.db2.gz XMZPKFMTGYUIMA-LLVKDONJSA-N -1 3 354.358 2.888 20 10 FFCDHM CC1(C)OC[C@H](COc2cccc3c2C(=O)c2c([O-])cccc2C3=O)O1 ZINC001226379708 1034659423 /nfs/dbraw/zinc/65/94/23/1034659423.db2.gz HKIBCAWQTSAGNX-NSHDSACASA-N -1 3 354.358 2.698 20 10 FFCDHM CC(=O)N1CCC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC1 ZINC001226380061 1034659878 /nfs/dbraw/zinc/65/98/78/1034659878.db2.gz NBBFBMFXLKLKGG-UHFFFAOYSA-N -1 3 365.385 2.557 20 10 FFCDHM CCOC(=O)[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226383618 1034661081 /nfs/dbraw/zinc/66/10/81/1034661081.db2.gz JFJOFOXYNJYSDT-TXEJJXNPSA-N -1 3 366.369 2.888 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2OCCN(Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC001140057246 1035324636 /nfs/dbraw/zinc/32/46/36/1035324636.db2.gz DFCHORMUMHVNAD-DOTOQJQBSA-N -1 3 366.433 2.742 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@@H](C1)O2 ZINC001140462625 1035484655 /nfs/dbraw/zinc/48/46/55/1035484655.db2.gz JNSRQBBKSAYPRG-GASCZTMLSA-N -1 3 368.861 2.866 20 10 FFCDHM COCc1cnc2n1CCN(Cc1cc(Cl)c(OC)cc1[O-])[C@@H]2C ZINC001232266301 1035538133 /nfs/dbraw/zinc/53/81/33/1035538133.db2.gz WAPSPISCDHIVBB-LLVKDONJSA-N -1 3 351.834 2.974 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001140580555 1035658991 /nfs/dbraw/zinc/65/89/91/1035658991.db2.gz GWKMQLIUCMPVEA-BEFAXECRSA-N -1 3 362.376 2.878 20 10 FFCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001233079610 1036328368 /nfs/dbraw/zinc/32/83/68/1036328368.db2.gz HAHUGRRQWWRNHT-OAHLLOKOSA-N -1 3 362.376 2.813 20 10 FFCDHM CCOC(=O)[C@@H]1CCCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233140946 1036389424 /nfs/dbraw/zinc/38/94/24/1036389424.db2.gz ZEMYSDZIOSNQTB-LBPRGKRZSA-N -1 3 358.232 2.691 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@@H](CO)CC[C@H]2C)c1 ZINC001233306550 1036511883 /nfs/dbraw/zinc/51/18/83/1036511883.db2.gz UZARNTQJIRKIPY-MNOVXSKESA-N -1 3 372.259 2.534 20 10 FFCDHM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4c([O-])ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333215 1036539038 /nfs/dbraw/zinc/53/90/38/1036539038.db2.gz OAGUJQJBNZSMPT-NZVBXONLSA-N -1 3 351.353 2.714 20 10 FFCDHM CCCOC(=O)[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192417 1036542572 /nfs/dbraw/zinc/54/25/72/1036542572.db2.gz MKDNYYFVCNMIFI-NSHDSACASA-N -1 3 354.358 2.888 20 10 FFCDHM CCn1nnc2c1[C@H](COC)CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233453235 1036633298 /nfs/dbraw/zinc/63/32/98/1036633298.db2.gz ZZVAKFHMCCXRDE-LBPRGKRZSA-N -1 3 370.375 2.768 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC3CC4(COC4)C3)c12 ZINC001234748214 1037164343 /nfs/dbraw/zinc/16/43/43/1037164343.db2.gz HELVCPRFIJWHNR-UHFFFAOYSA-N -1 3 356.330 2.621 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC12CC2 ZINC001235075065 1037344829 /nfs/dbraw/zinc/34/48/29/1037344829.db2.gz ISALQBZLPQEGGQ-NSHDSACASA-N -1 3 358.207 2.679 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231446975 1037584632 /nfs/dbraw/zinc/58/46/32/1037584632.db2.gz NCLWFNKMKQYGJY-AWEZNQCLSA-N -1 3 350.415 2.580 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3nccc4ccccc43)CC2)c1 ZINC001231563880 1037687965 /nfs/dbraw/zinc/68/79/65/1037687965.db2.gz FUXBYBYKXPCESL-UHFFFAOYSA-N -1 3 363.417 2.961 20 10 FFCDHM COc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)c(C)c1 ZINC001231566416 1037691525 /nfs/dbraw/zinc/69/15/25/1037691525.db2.gz JFFHYADRIBBCON-UHFFFAOYSA-N -1 3 356.422 2.730 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001231566545 1037692101 /nfs/dbraw/zinc/69/21/01/1037692101.db2.gz OOYDTUUUIDHQEE-QGZVFWFLSA-N -1 3 372.396 2.624 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3cncnc3)CC2)c1 ZINC001236668438 1038181741 /nfs/dbraw/zinc/18/17/41/1038181741.db2.gz DOLSPOBOUSJMRL-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CCC2(CN(Cc3c([O-])cccc3F)C2)C1 ZINC001279421369 1043095038 /nfs/dbraw/zinc/09/50/38/1043095038.db2.gz GCXXNCYBPQKFNG-UHFFFAOYSA-N -1 3 357.429 2.527 20 10 FFCDHM COCCOCN1CCC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001279506564 1043202029 /nfs/dbraw/zinc/20/20/29/1043202029.db2.gz XMCINYWNNLDODB-UHFFFAOYSA-N -1 3 374.403 2.539 20 10 FFCDHM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3cc(Cl)c([O-])cc3O)C2)C1 ZINC001279570509 1043273428 /nfs/dbraw/zinc/27/34/28/1043273428.db2.gz MUFIEWBXNDHCDL-HNNXBMFYSA-N -1 3 374.868 2.918 20 10 FFCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Br)c(C)cc1[O-] ZINC001237681910 1043310251 /nfs/dbraw/zinc/31/02/51/1043310251.db2.gz UJEOLBACDJPLSR-BLLLJJGKSA-N -1 3 354.244 2.991 20 10 FFCDHM O=C(c1ccco1)N1C[C@@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]2C1 ZINC001237800396 1043366928 /nfs/dbraw/zinc/36/69/28/1043366928.db2.gz NUCXIPQSJCELAM-STQMWFEESA-N -1 3 364.804 2.982 20 10 FFCDHM CCCNC(=O)COC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237802142 1043367651 /nfs/dbraw/zinc/36/76/51/1043367651.db2.gz LCJKNFLIKSPCRS-UHFFFAOYSA-N -1 3 358.841 2.692 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c(F)cc1[N+](=O)[O-] ZINC001309655252 1043470615 /nfs/dbraw/zinc/47/06/15/1043470615.db2.gz SGXUSCROHKPNJZ-UHFFFAOYSA-N -1 3 374.777 2.880 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2O)c(F)cc1[N+](=O)[O-] ZINC001309769821 1043517349 /nfs/dbraw/zinc/51/73/49/1043517349.db2.gz ZYKRQUCAFLTJIB-JTQLQIEISA-N -1 3 354.359 2.787 20 10 FFCDHM C[C@@H]1CN(C(=O)[C@@H]2CC23CN(Cc2cc(Cl)ccc2[O-])C3)C[C@H](C)O1 ZINC001279983157 1044033953 /nfs/dbraw/zinc/03/39/53/1044033953.db2.gz FEOJQPILEOOKOZ-ZENOOKHLSA-N -1 3 364.873 2.503 20 10 FFCDHM COC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC001312410194 1044109908 /nfs/dbraw/zinc/10/99/08/1044109908.db2.gz MIJGDILYJGXMPG-HNNXBMFYSA-N -1 3 354.328 2.996 20 10 FFCDHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(C3=S=CC=C3)s2)s1 ZINC001342711764 1051327680 /nfs/dbraw/zinc/32/76/80/1051327680.db2.gz FJSVBLWXLQPISR-UHFFFAOYSA-N -1 3 365.461 2.654 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCc2c([O-])cccc2F)C1 ZINC001303875405 1051463627 /nfs/dbraw/zinc/46/36/27/1051463627.db2.gz IAVRYZMMKWOTTC-NHYWBVRUSA-N -1 3 370.396 2.743 20 10 FFCDHM CS(=O)(=O)N1CCN(Cc2ccc(Cl)cc2[O-])Cc2ccccc21 ZINC001308606226 1052476082 /nfs/dbraw/zinc/47/60/82/1052476082.db2.gz AYICYYGOSRVTGY-UHFFFAOYSA-N -1 3 366.870 2.827 20 10 FFCDHM CCCCOc1cccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001337063937 1054451278 /nfs/dbraw/zinc/45/12/78/1054451278.db2.gz BJVCQRUEYSSPQH-UHFFFAOYSA-N -1 3 360.385 2.965 20 10 FFCDHM CCCc1nc(C)c(NC(=O)C(=O)NCc2c([O-])cccc2F)s1 ZINC001338371151 1055454908 /nfs/dbraw/zinc/45/49/08/1055454908.db2.gz CFGMZMFCTZQLRU-UHFFFAOYSA-N -1 3 351.403 2.504 20 10 FFCDHM [O-]c1c(CNC(=S)NC[C@@H]2CCCO2)cc(Cl)c2cccnc12 ZINC001200036091 1055472729 /nfs/dbraw/zinc/47/27/29/1055472729.db2.gz XXZLKLIDSZOPEF-NSHDSACASA-N -1 3 351.859 2.737 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](OC)C1 ZINC001353726486 1056674248 /nfs/dbraw/zinc/67/42/48/1056674248.db2.gz BRILUDBPQAKFFU-LLVKDONJSA-N -1 3 359.455 2.896 20 10 FFCDHM Cc1ccc(NC(=O)C(=O)NCc2c([O-])cccc2F)cc1OC(C)C ZINC001354550446 1059148994 /nfs/dbraw/zinc/14/89/94/1059148994.db2.gz JDIXAMVFQWNLTA-UHFFFAOYSA-N -1 3 360.385 2.882 20 10 FFCDHM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)Cc1ccccc1O ZINC001521065335 1060352185 /nfs/dbraw/zinc/35/21/85/1060352185.db2.gz SFZAHQBSJUEHFH-UHFFFAOYSA-N -1 3 366.425 2.680 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C[C@H](C)O)C1CC1 ZINC001521588732 1060996139 /nfs/dbraw/zinc/99/61/39/1060996139.db2.gz SQLKKMYZDYEGAI-JTQLQIEISA-N -1 3 359.455 2.630 20 10 FFCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCN1C(=O)c1cscn1 ZINC001462310490 1061580523 /nfs/dbraw/zinc/58/05/23/1061580523.db2.gz KDHXFKUGELPHCA-NSHDSACASA-N -1 3 351.859 2.849 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc([S@@](C)=O)cc1 ZINC001478374585 1061990661 /nfs/dbraw/zinc/99/06/61/1061990661.db2.gz MRXRUSKVSNTHRG-YDGUKXNOSA-N -1 3 350.415 2.829 20 10 FFCDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2cccc(O)c2O)s1 ZINC001471642590 1064743145 /nfs/dbraw/zinc/74/31/45/1064743145.db2.gz WNNLBPTXJYGZEY-UHFFFAOYSA-N -1 3 365.411 2.831 20 10 FFCDHM CC(C)(C)OC(=O)N(CCC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC001471976454 1064875781 /nfs/dbraw/zinc/87/57/81/1064875781.db2.gz ZNJSOOPRLZZZTN-UHFFFAOYSA-N -1 3 352.406 2.937 20 10 FFCDHM COC(=O)c1c(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001574082002 1077892027 /nfs/dbraw/zinc/89/20/27/1077892027.db2.gz SZCNEVXJANLKHE-NEPJUHHUSA-N -1 3 362.401 2.647 20 10 FFCDHM O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cccc(O)c1[O-] ZINC001586924546 1079706132 /nfs/dbraw/zinc/70/61/32/1079706132.db2.gz PTTHCMOYKUGPDC-UHFFFAOYSA-N -1 3 371.784 2.857 20 10 FFCDHM C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589977738 1080916904 /nfs/dbraw/zinc/91/69/04/1080916904.db2.gz HPSLBGMZPFBAMR-FZKQIMNGSA-N -1 3 357.458 2.962 20 10 FFCDHM COc1c([O-])c(CNc2cnccc2-n2cc(C)cn2)ccc1[N+](=O)[O-] ZINC000373205226 512220378 /nfs/dbraw/zinc/22/03/78/512220378.db2.gz QMGRVJYYEMUUCI-UHFFFAOYSA-N -1 3 355.354 2.810 20 10 FFCDHM C[C@H](CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000067177944 506784649 /nfs/dbraw/zinc/78/46/49/506784649.db2.gz YKJZSYGFELQGOL-CYBMUJFWSA-N -1 3 362.451 2.639 20 10 FFCDHM Cn1cc(C[C@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000093870115 508158344 /nfs/dbraw/zinc/15/83/44/508158344.db2.gz VUGXXNUYTSVZEC-LLVKDONJSA-N -1 3 350.806 2.752 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000093908127 508159901 /nfs/dbraw/zinc/15/99/01/508159901.db2.gz PNCNJPOLRUMFIX-DOMZBBRYSA-N -1 3 352.456 2.559 20 10 FFCDHM CC(=O)Nc1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cs1 ZINC000096971053 508216479 /nfs/dbraw/zinc/21/64/79/508216479.db2.gz YVUWYNXWOQMJNU-INIZCTEOSA-N -1 3 361.467 2.988 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000189430412 509572772 /nfs/dbraw/zinc/57/27/72/509572772.db2.gz NYCHWWKRCIBBLL-UHFFFAOYSA-N -1 3 360.435 2.882 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccnc(OC3CCOCC3)c2)c1 ZINC000264963726 509799602 /nfs/dbraw/zinc/79/96/02/509799602.db2.gz OYBYNRZDEWBUSE-UHFFFAOYSA-N -1 3 359.382 2.543 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N3CCCC3=O)CC2)c1[O-] ZINC000177125039 509887472 /nfs/dbraw/zinc/88/74/72/509887472.db2.gz JFPWSTYHUPEBCC-UHFFFAOYSA-N -1 3 350.846 2.835 20 10 FFCDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(O)c1[O-] ZINC000186977815 509984719 /nfs/dbraw/zinc/98/47/19/509984719.db2.gz VBVOZQVXLPLMMU-UHFFFAOYSA-N -1 3 362.376 2.770 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000187174595 510103871 /nfs/dbraw/zinc/10/38/71/510103871.db2.gz LLKLKNMALPCSJB-CQSZACIVSA-N -1 3 366.417 2.854 20 10 FFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000245742802 510122283 /nfs/dbraw/zinc/12/22/83/510122283.db2.gz GJGNZRHSUNOUAN-IJEWVQPXSA-N -1 3 356.260 2.923 20 10 FFCDHM C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187800891 510444891 /nfs/dbraw/zinc/44/48/91/510444891.db2.gz PJZUSPOQENYBDL-LDYMZIIASA-N -1 3 352.303 2.874 20 10 FFCDHM CCCCN(Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000184673261 510453022 /nfs/dbraw/zinc/45/30/22/510453022.db2.gz OOCXRFKWGBSNIF-CQSZACIVSA-N -1 3 361.891 2.843 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@H](CN2CCOCC2)c2ccccc2)c1[O-] ZINC000182185105 510802193 /nfs/dbraw/zinc/80/21/93/510802193.db2.gz CZBCYHFUBOGRRH-HXUWFJFHSA-N -1 3 372.440 2.897 20 10 FFCDHM CC1(C)[C@@H]2OCC[C@H]2[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277447262 510963255 /nfs/dbraw/zinc/96/32/55/510963255.db2.gz RBONQDQGZRPNNU-VBNZEHGJSA-N -1 3 364.829 2.623 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000285626292 510983667 /nfs/dbraw/zinc/98/36/67/510983667.db2.gz KCMSUMUAJAJHMR-OLZOCXBDSA-N -1 3 370.243 2.702 20 10 FFCDHM C[C@H]1C[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000278220325 510985146 /nfs/dbraw/zinc/98/51/46/510985146.db2.gz XBUTVGDMXSVOHR-RYUDHWBXSA-N -1 3 352.818 2.625 20 10 FFCDHM COc1c([O-])c(CNc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000278929725 511014049 /nfs/dbraw/zinc/01/40/49/511014049.db2.gz VWRATJFUTQUHRV-UHFFFAOYSA-N -1 3 373.409 2.753 20 10 FFCDHM C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000282663694 511065284 /nfs/dbraw/zinc/06/52/84/511065284.db2.gz IRSIEKNWKDNVRA-ZDUSSCGKSA-N -1 3 369.433 2.979 20 10 FFCDHM COCCn1cc(CN[C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000282815364 511120771 /nfs/dbraw/zinc/12/07/71/511120771.db2.gz RNCAJWJKZNXLMX-NSHDSACASA-N -1 3 354.248 2.848 20 10 FFCDHM CCC1CCC(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000271208574 511121306 /nfs/dbraw/zinc/12/13/06/511121306.db2.gz COGRBJMYPKGPBB-UHFFFAOYSA-N -1 3 354.472 2.805 20 10 FFCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1O ZINC000290456878 511142305 /nfs/dbraw/zinc/14/23/05/511142305.db2.gz DTPLLNPROZPVCD-UHFFFAOYSA-N -1 3 365.407 2.847 20 10 FFCDHM COc1cc(Cl)cc(CN2CC(=O)N(CCC(F)(F)F)C2)c1[O-] ZINC000295091324 511279415 /nfs/dbraw/zinc/27/94/15/511279415.db2.gz TVTDYYZCCMYASO-UHFFFAOYSA-N -1 3 352.740 2.608 20 10 FFCDHM Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c([O-])c1O ZINC000365261492 511349956 /nfs/dbraw/zinc/34/99/56/511349956.db2.gz LJDLYWMHVYYHOK-MRXNPFEDSA-N -1 3 372.465 2.661 20 10 FFCDHM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c([O-])c1O ZINC000272788287 511506345 /nfs/dbraw/zinc/50/63/45/511506345.db2.gz WLCZDRKDUOCJSI-OAHLLOKOSA-N -1 3 355.390 2.520 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000273354525 511523713 /nfs/dbraw/zinc/52/37/13/511523713.db2.gz CKJMQLUEZVMTKR-LBPRGKRZSA-N -1 3 358.394 2.606 20 10 FFCDHM CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(F)ccc2[O-])cc1 ZINC000280687441 511564265 /nfs/dbraw/zinc/56/42/65/511564265.db2.gz OAWDFKCFCHACGH-LBPRGKRZSA-N -1 3 360.385 2.825 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN([C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000296510651 511773866 /nfs/dbraw/zinc/77/38/66/511773866.db2.gz PMOVRIZMQPSQKF-SHACYNPGSA-N -1 3 353.484 2.538 20 10 FFCDHM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000373705798 512465908 /nfs/dbraw/zinc/46/59/08/512465908.db2.gz BBPDAVYWCYRVEC-ZIAGYGMSSA-N -1 3 354.244 2.725 20 10 FFCDHM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000373705796 512466178 /nfs/dbraw/zinc/46/61/78/512466178.db2.gz BBPDAVYWCYRVEC-KGLIPLIRSA-N -1 3 354.244 2.725 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000370032499 512735079 /nfs/dbraw/zinc/73/50/79/512735079.db2.gz LKNYAGDHBFALDR-ZBEGNZNMSA-N -1 3 372.259 2.543 20 10 FFCDHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000372281910 512794836 /nfs/dbraw/zinc/79/48/36/512794836.db2.gz KRJQBLSZXLXZPD-KBPBESRZSA-N -1 3 357.834 2.597 20 10 FFCDHM CC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000368608453 513024149 /nfs/dbraw/zinc/02/41/49/513024149.db2.gz OVCZBSCNXYRVGS-GOSISDBHSA-N -1 3 358.461 2.919 20 10 FFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823229365 599244613 /nfs/dbraw/zinc/24/46/13/599244613.db2.gz NNXSQUPMSYDGGK-UHFFFAOYSA-N -1 3 364.409 2.773 20 10 FFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823229365 599244614 /nfs/dbraw/zinc/24/46/14/599244614.db2.gz NNXSQUPMSYDGGK-UHFFFAOYSA-N -1 3 364.409 2.773 20 10 FFCDHM Cc1c(NC(=O)NCc2ccc(N(C)C)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822105466 607281972 /nfs/dbraw/zinc/28/19/72/607281972.db2.gz UUUBAYAUCHWNPA-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM Cc1c(NC(=O)NCc2ccc(N(C)C)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822105466 607281973 /nfs/dbraw/zinc/28/19/73/607281973.db2.gz UUUBAYAUCHWNPA-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235016 598610603 /nfs/dbraw/zinc/61/06/03/598610603.db2.gz QCOAUBPAWWUDFS-ABAIWWIYSA-N -1 3 350.426 2.660 20 10 FFCDHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825398922 607641441 /nfs/dbraw/zinc/64/14/41/607641441.db2.gz BFOVKQVYRZFTFB-UHFFFAOYSA-N -1 3 370.413 2.550 20 10 FFCDHM O=C([O-])N1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000831946749 604193516 /nfs/dbraw/zinc/19/35/16/604193516.db2.gz BANWDOREQDKTQT-INIZCTEOSA-N -1 3 367.877 2.742 20 10 FFCDHM CCc1nnc(NCc2ccc(N(C)C)c(F)c2)c(-c2nnn[n-]2)c1CC ZINC000821542829 606925551 /nfs/dbraw/zinc/92/55/51/606925551.db2.gz ZUPCVOLKYVOINQ-UHFFFAOYSA-N -1 3 370.436 2.599 20 10 FFCDHM CCc1nnc(NCc2ccc(N(C)C)c(F)c2)c(-c2nn[n-]n2)c1CC ZINC000821542829 606925552 /nfs/dbraw/zinc/92/55/52/606925552.db2.gz ZUPCVOLKYVOINQ-UHFFFAOYSA-N -1 3 370.436 2.599 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)c1ccccc1 ZINC000080101892 728321919 /nfs/dbraw/zinc/32/19/19/728321919.db2.gz FXRLWMNXJIGCKN-QWHCGFSZSA-N -1 3 362.451 2.686 20 10 FFCDHM COC(=O)CN(Cc1nnsc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000109779967 728528818 /nfs/dbraw/zinc/52/88/18/728528818.db2.gz AJMAIGHMTRRMSL-UHFFFAOYSA-N -1 3 362.238 2.726 20 10 FFCDHM CCCN(Cc1c([O-])cccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000862213710 730676688 /nfs/dbraw/zinc/67/66/88/730676688.db2.gz TUUPEXAZCIJMAQ-LLVKDONJSA-N -1 3 362.289 2.554 20 10 FFCDHM CCCN(Cc1c([O-])cccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000862213711 730676779 /nfs/dbraw/zinc/67/67/79/730676779.db2.gz TUUPEXAZCIJMAQ-NSHDSACASA-N -1 3 362.289 2.554 20 10 FFCDHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c([O-])cccc1Br ZINC000862338220 730689774 /nfs/dbraw/zinc/68/97/74/730689774.db2.gz MYUCPDFFDVPHND-PGUXBMHVSA-N -1 3 354.244 2.928 20 10 FFCDHM CCOC(=O)[C@H](NCc1c([O-])cccc1Br)[C@@H]1CCCOC1 ZINC000862339610 730690188 /nfs/dbraw/zinc/69/01/88/730690188.db2.gz ZNABHPOJYLIYGC-IAQYHMDHSA-N -1 3 372.259 2.603 20 10 FFCDHM C[C@@H]1OCC[C@]12CN(Cc1c([O-])cccc1Br)C[C@@H](C)O2 ZINC000862351095 730690573 /nfs/dbraw/zinc/69/05/73/730690573.db2.gz GMDQTFISNLASAX-WQGACYEGSA-N -1 3 356.260 2.923 20 10 FFCDHM Cc1nccnc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862354398 730690959 /nfs/dbraw/zinc/69/09/59/730690959.db2.gz UZSGMLMWDKNDQK-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2c(Br)cnn2C)c1 ZINC000866431490 731059771 /nfs/dbraw/zinc/05/97/71/731059771.db2.gz UKSOGUACQWIPMV-SECBINFHSA-N -1 3 368.231 2.526 20 10 FFCDHM O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1c([O-])cccc1F ZINC000926298030 738594544 /nfs/dbraw/zinc/59/45/44/738594544.db2.gz KUTYMCWTDSOJKY-RNCFNFMXSA-N -1 3 350.312 2.831 20 10 FFCDHM COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823135 732442003 /nfs/dbraw/zinc/44/20/03/732442003.db2.gz VCRJITZBQONDFQ-SKDRFNHKSA-N -1 3 364.320 2.851 20 10 FFCDHM COc1cccc2c1O[C@@H](c1c([O-])cccc1Br)NC2=O ZINC000877843509 732444809 /nfs/dbraw/zinc/44/48/09/732444809.db2.gz RGLKOCFOGQOEDH-HNNXBMFYSA-N -1 3 350.168 2.984 20 10 FFCDHM O=C1N[C@@H](c2cc(Br)ccc2[O-])N2CCc3ccccc3[C@H]12 ZINC000877856098 732445274 /nfs/dbraw/zinc/44/52/74/732445274.db2.gz OFUFIOZLKSMKQZ-HZPDHXFCSA-N -1 3 359.223 2.883 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)CC(C)C)CC2)c1[O-] ZINC000879759110 732762833 /nfs/dbraw/zinc/76/28/33/732762833.db2.gz BPXYZVALRISCDQ-UHFFFAOYSA-N -1 3 350.434 2.814 20 10 FFCDHM [O-]c1c(F)cc(F)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000883120509 733338136 /nfs/dbraw/zinc/33/81/36/733338136.db2.gz FUZWMYGTFXRGAF-LBPRGKRZSA-N -1 3 350.365 2.771 20 10 FFCDHM CN(C)Cc1csc(CNCc2c([O-])cccc2Br)n1 ZINC000722406336 734384851 /nfs/dbraw/zinc/38/48/51/734384851.db2.gz HXDJKBDBEQKMEW-UHFFFAOYSA-N -1 3 356.289 2.963 20 10 FFCDHM COc1cc[n-]c(=NNC(=S)Nc2cccc(OC(F)(F)F)c2)n1 ZINC000783722950 738829356 /nfs/dbraw/zinc/82/93/56/738829356.db2.gz OYDZGTXZBAQPCB-UHFFFAOYSA-N -1 3 359.333 2.697 20 10 FFCDHM O=C([C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1)N1CCCC1 ZINC000894780426 734915567 /nfs/dbraw/zinc/91/55/67/734915567.db2.gz CVQUSOCETSPVNK-LLVKDONJSA-N -1 3 371.250 2.738 20 10 FFCDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C ZINC000740700743 735081764 /nfs/dbraw/zinc/08/17/64/735081764.db2.gz FHYHWKREINYDSR-UHFFFAOYSA-N -1 3 351.424 2.835 20 10 FFCDHM COc1nn(C)cc1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000903338901 736077218 /nfs/dbraw/zinc/07/72/18/736077218.db2.gz UOEPVOGATBGZQX-QMMMGPOBSA-N -1 3 358.211 2.887 20 10 FFCDHM COc1cc(C(=O)NCCCSc2nccs2)cc(OC)c1[O-] ZINC000754424585 736158708 /nfs/dbraw/zinc/15/87/08/736158708.db2.gz BOMHJRLZRMTCJZ-UHFFFAOYSA-N -1 3 354.453 2.778 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccn2CC(F)(F)F)c1 ZINC000756539471 736339674 /nfs/dbraw/zinc/33/96/74/736339674.db2.gz NRWTTZLWFHUEFN-SNVBAGLBSA-N -1 3 357.332 2.788 20 10 FFCDHM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000757647891 736415501 /nfs/dbraw/zinc/41/55/01/736415501.db2.gz RHHYLKPIYPRKOG-VIFPVBQESA-N -1 3 368.377 2.615 20 10 FFCDHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000762569288 736838388 /nfs/dbraw/zinc/83/83/88/736838388.db2.gz LXBGQPSEOIEVOE-OLZOCXBDSA-N -1 3 372.512 2.510 20 10 FFCDHM Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000919812151 737878480 /nfs/dbraw/zinc/87/84/80/737878480.db2.gz LIAFYRZBFJEFHQ-CYBMUJFWSA-N -1 3 362.451 2.872 20 10 FFCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741737 738120386 /nfs/dbraw/zinc/12/03/86/738120386.db2.gz PZANGJMADPRIBT-BZNIZROVSA-N -1 3 353.825 2.864 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC000928706634 738897809 /nfs/dbraw/zinc/89/78/09/738897809.db2.gz SQGOHLCLHHCPOS-UHFFFAOYSA-N -1 3 363.410 2.645 20 10 FFCDHM COCCN(Cc1ccnn1C)Cc1cc(C)cc(Br)c1[O-] ZINC000787330535 739127782 /nfs/dbraw/zinc/12/77/82/739127782.db2.gz AZMPTVGJQIDGQY-UHFFFAOYSA-N -1 3 368.275 2.845 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1nnc(C2CCOCC2)s1 ZINC000931569362 739289823 /nfs/dbraw/zinc/28/98/23/739289823.db2.gz WAQYIMSDQGEHNJ-UHFFFAOYSA-N -1 3 352.391 2.599 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000790704832 739486888 /nfs/dbraw/zinc/48/68/88/739486888.db2.gz KUCOQBSHJSXYLR-TXEJJXNPSA-N -1 3 350.415 2.568 20 10 FFCDHM CCOC(=O)[C@@]1(COC)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000798963326 740378008 /nfs/dbraw/zinc/37/80/08/740378008.db2.gz CSESWOQVXKJCPA-KRWDZBQOSA-N -1 3 359.825 2.976 20 10 FFCDHM O=C(NCc1cc(Cl)ccc1N1CCOCC1)c1cccc(O)c1[O-] ZINC000799014197 740380873 /nfs/dbraw/zinc/38/08/73/740380873.db2.gz DPQRDJVETZLFBP-UHFFFAOYSA-N -1 3 362.813 2.518 20 10 FFCDHM CC[C@@](NC(=O)c1cccc(O)c1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000804548944 740883369 /nfs/dbraw/zinc/88/33/69/740883369.db2.gz RXULHAZKDSTJGZ-SFHVURJKSA-N -1 3 363.797 2.960 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000811503436 741531036 /nfs/dbraw/zinc/53/10/36/741531036.db2.gz MITXSFPOKQERIL-UHFFFAOYSA-N -1 3 352.203 2.997 20 10 FFCDHM O=C(Nc1nncs1)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816610803 742047216 /nfs/dbraw/zinc/04/72/16/742047216.db2.gz ZFNDRKWBWYZRDV-UHFFFAOYSA-N -1 3 370.837 2.887 20 10 FFCDHM COC(=O)CN(Cc1nn(C)cc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000817276215 742116019 /nfs/dbraw/zinc/11/60/19/742116019.db2.gz VMAZHWMBBXVDCE-UHFFFAOYSA-N -1 3 358.225 2.608 20 10 FFCDHM Cn1ccnc1[C@H](NCc1cccc(Br)c1[O-])C(C)(C)CO ZINC000824672477 743126420 /nfs/dbraw/zinc/12/64/20/743126420.db2.gz CDKRLNRROZRTTH-AWEZNQCLSA-N -1 3 368.275 2.738 20 10 FFCDHM COC(=O)[C@@H]1CSCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000839676455 746889999 /nfs/dbraw/zinc/88/99/99/746889999.db2.gz LBZFNIVRFOLCSA-LBPRGKRZSA-N -1 3 357.859 2.586 20 10 FFCDHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000841568643 747405317 /nfs/dbraw/zinc/40/53/17/747405317.db2.gz DKUHPGZGBJLQAM-LBPRGKRZSA-N -1 3 353.513 2.735 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000843414729 747831709 /nfs/dbraw/zinc/83/17/09/747831709.db2.gz LSBOIABTMOJWOT-CYBMUJFWSA-N -1 3 363.259 2.940 20 10 FFCDHM C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc(Br)cc1[O-] ZINC000848557792 748960158 /nfs/dbraw/zinc/96/01/58/748960158.db2.gz LMJJTFIXNKHRQQ-NOZJJQNGSA-N -1 3 367.247 2.975 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2c([O-])cccc2Cl)C1=O ZINC001275837034 1013059187 /nfs/dbraw/zinc/05/91/87/1013059187.db2.gz AOQBFRMQKXMSIL-KPZWWZAWSA-N -1 3 350.846 2.590 20 10 FFCDHM c1cc(OCCOc2ccc(N3CCCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826517838 948445822 /nfs/dbraw/zinc/44/58/22/948445822.db2.gz QIVNRXYWIJQQSW-UHFFFAOYSA-N -1 3 351.410 2.925 20 10 FFCDHM c1cc(OCCOc2ccc(N3CCCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826517838 948445827 /nfs/dbraw/zinc/44/58/27/948445827.db2.gz QIVNRXYWIJQQSW-UHFFFAOYSA-N -1 3 351.410 2.925 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1[O-] ZINC000177229673 969134676 /nfs/dbraw/zinc/13/46/76/969134676.db2.gz UAADMLUJNGJCJP-UHFFFAOYSA-N -1 3 373.384 2.964 20 10 FFCDHM COc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1Cn1cccn1 ZINC000877648531 1014661145 /nfs/dbraw/zinc/66/11/45/1014661145.db2.gz PHXUBJFGWKVWNK-UHFFFAOYSA-N -1 3 367.453 2.769 20 10 FFCDHM O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000179927798 991380887 /nfs/dbraw/zinc/38/08/87/991380887.db2.gz DPHCIHLWCAKZAZ-UHFFFAOYSA-N -1 3 374.824 2.732 20 10 FFCDHM CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001599079706 996970524 /nfs/dbraw/zinc/97/05/24/996970524.db2.gz WCKHNQQERWZNNZ-FQEVSTJZSA-N -1 3 357.406 2.647 20 10 FFCDHM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001599079706 996970533 /nfs/dbraw/zinc/97/05/33/996970533.db2.gz WCKHNQQERWZNNZ-FQEVSTJZSA-N -1 3 357.406 2.647 20 10 FFCDHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)c(O)c1 ZINC001148585860 1001175298 /nfs/dbraw/zinc/17/52/98/1001175298.db2.gz BIQKVSPICVOVIO-UHFFFAOYSA-N -1 3 361.350 2.717 20 10 FFCDHM CCc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c([O-])c1 ZINC000787023286 1001654576 /nfs/dbraw/zinc/65/45/76/1001654576.db2.gz ZNFKUXJRXCYTRW-UHFFFAOYSA-N -1 3 367.449 2.909 20 10 FFCDHM CCOC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC)c1 ZINC000790550825 1002409489 /nfs/dbraw/zinc/40/94/89/1002409489.db2.gz GSQIACZYLWBVNU-HNNXBMFYSA-N -1 3 359.378 2.531 20 10 FFCDHM O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790895895 1002509807 /nfs/dbraw/zinc/50/98/07/1002509807.db2.gz WVXRBDDTAHSESO-LLVKDONJSA-N -1 3 369.339 2.698 20 10 FFCDHM O=C(NCC(F)(F)F)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001187092329 1003564515 /nfs/dbraw/zinc/56/45/15/1003564515.db2.gz ZWKSGIXMKACLNY-UHFFFAOYSA-N -1 3 364.279 2.851 20 10 FFCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000804845699 1003856345 /nfs/dbraw/zinc/85/63/45/1003856345.db2.gz PRMGHPIKPWJRJP-XUJVJEKNSA-N -1 3 364.442 2.862 20 10 FFCDHM CN(C)c1cncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001193821596 1004591312 /nfs/dbraw/zinc/59/13/12/1004591312.db2.gz AKVJLFHHRUEUMV-UHFFFAOYSA-N -1 3 356.813 2.985 20 10 FFCDHM C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCN1S(C)(=O)=O ZINC000776295068 1005352550 /nfs/dbraw/zinc/35/25/50/1005352550.db2.gz YVIQQOUNTKSMBX-ZDUSSCGKSA-N -1 3 374.462 2.757 20 10 FFCDHM CC(=O)c1cc(F)cc(CNC2(C(=O)OC(C)(C)C)CCOCC2)c1[O-] ZINC000852754027 1006169332 /nfs/dbraw/zinc/16/93/32/1006169332.db2.gz ZKLSISSIAKHGEL-UHFFFAOYSA-N -1 3 367.417 2.714 20 10 FFCDHM Cc1cccc2c1CCC[C@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856301145 1007757013 /nfs/dbraw/zinc/75/70/13/1007757013.db2.gz FTMNOMAGRBIQAV-QGZVFWFLSA-N -1 3 374.462 2.880 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCc2nc[nH]c2C1 ZINC001177185004 1008523583 /nfs/dbraw/zinc/52/35/83/1008523583.db2.gz XIPDCUUQIOISCR-JTQLQIEISA-N -1 3 356.813 2.738 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCc2[nH]cnc2C1 ZINC001177185004 1008523590 /nfs/dbraw/zinc/52/35/90/1008523590.db2.gz XIPDCUUQIOISCR-JTQLQIEISA-N -1 3 356.813 2.738 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2cc(Cl)ccc2[O-])C1=O ZINC001275247745 1012134421 /nfs/dbraw/zinc/13/44/21/1012134421.db2.gz FVOYAEXACXUIIA-KPZWWZAWSA-N -1 3 350.846 2.590 20 10 FFCDHM C[C@H]1CC[C@H](NCC(=O)c2ccc([O-])c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070497 1012237939 /nfs/dbraw/zinc/23/79/39/1012237939.db2.gz XRPGNKRULMOVHG-JSGCOSHPSA-N -1 3 364.442 2.658 20 10 FFCDHM CCOc1cccc(N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)n1 ZINC000750825717 1022593626 /nfs/dbraw/zinc/59/36/26/1022593626.db2.gz JCOZIKPEERDMQC-UHFFFAOYSA-N -1 3 373.428 2.850 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001137834870 1033171732 /nfs/dbraw/zinc/17/17/32/1033171732.db2.gz WSOAQOOQOMTWCC-DFQSSKMNSA-N -1 3 358.413 2.875 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001137835384 1033173238 /nfs/dbraw/zinc/17/32/38/1033173238.db2.gz GGYJQMCZINMBQT-DKSSEZFCSA-N -1 3 358.413 2.985 20 10 FFCDHM COC(=O)C1(CCCCNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC001122188355 1024418232 /nfs/dbraw/zinc/41/82/32/1024418232.db2.gz UKMMFXOFAJCHBF-UHFFFAOYSA-N -1 3 352.406 2.844 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000840556061 1027112701 /nfs/dbraw/zinc/11/27/01/1027112701.db2.gz UVVJKTSNJPOQSP-LBPRGKRZSA-N -1 3 355.417 2.832 20 10 FFCDHM C[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840882477 1029903051 /nfs/dbraw/zinc/90/30/51/1029903051.db2.gz OLUMMLTYMYNONJ-BZNIZROVSA-N -1 3 359.357 2.896 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001203657866 1030810755 /nfs/dbraw/zinc/81/07/55/1030810755.db2.gz HOAJSULLPIRPJO-IBGZPJMESA-N -1 3 374.872 2.707 20 10 FFCDHM CC[C@@H](CC(=O)OC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380731 1034660008 /nfs/dbraw/zinc/66/00/08/1034660008.db2.gz ZYYPKIDDIXAKSN-NSHDSACASA-N -1 3 354.358 2.888 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCc4nccn4C3)cccc21 ZINC001226383273 1034661535 /nfs/dbraw/zinc/66/15/35/1034661535.db2.gz GJYHVHLSGJSCCV-LBPRGKRZSA-N -1 3 360.369 2.758 20 10 FFCDHM CO[C@H](C)CO[C@@H](C)COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385860 1034662974 /nfs/dbraw/zinc/66/29/74/1034662974.db2.gz VGMZXNIRIYMGKR-OLZOCXBDSA-N -1 3 370.401 2.986 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001226432006 1034681891 /nfs/dbraw/zinc/68/18/91/1034681891.db2.gz KPLKENSXIMUMCO-GFCCVEGCSA-N -1 3 367.421 2.730 20 10 FFCDHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3c(F)ccc(F)c3[O-])O2)n1 ZINC001139681925 1035196757 /nfs/dbraw/zinc/19/67/57/1035196757.db2.gz IAHXRCNNYIAUJS-RBSFLKMASA-N -1 3 351.353 2.856 20 10 FFCDHM O=C(C1CCC1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140101591 1035341848 /nfs/dbraw/zinc/34/18/48/1035341848.db2.gz YLTQKOYUEZONAO-UHFFFAOYSA-N -1 3 353.260 2.599 20 10 FFCDHM O=C1N(Cc2ncccn2)CC[C@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277231495 1035670587 /nfs/dbraw/zinc/67/05/87/1035670587.db2.gz CLRIZWXOISMAKG-LJQANCHMSA-N -1 3 372.856 2.603 20 10 FFCDHM CC(C)=CCN1C[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277232118 1035677315 /nfs/dbraw/zinc/67/73/15/1035677315.db2.gz KVFOUDGHBBAPQZ-LJQANCHMSA-N -1 3 364.873 2.815 20 10 FFCDHM COC(=O)[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(F)(F)F ZINC001227937889 1035822404 /nfs/dbraw/zinc/82/24/04/1035822404.db2.gz OUHADUQKEVKUNO-OAHLLOKOSA-N -1 3 370.279 2.812 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCc2cnccc2C1 ZINC001232974969 1036207731 /nfs/dbraw/zinc/20/77/31/1036207731.db2.gz UXIUNFHDZRPOCI-UHFFFAOYSA-N -1 3 366.202 2.950 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@](C)(O)CC2)c1 ZINC001233306613 1036511686 /nfs/dbraw/zinc/51/16/86/1036511686.db2.gz XFSYWIYDSNMRPC-MRXNPFEDSA-N -1 3 372.259 2.678 20 10 FFCDHM COC[C@@H]1CCCN1Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233306383 1036512390 /nfs/dbraw/zinc/51/23/90/1036512390.db2.gz PBJFUBBKWKJMOF-LBPRGKRZSA-N -1 3 358.232 2.552 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001233309011 1036514749 /nfs/dbraw/zinc/51/47/49/1036514749.db2.gz PMQKHHGKPVTTCQ-GAFUQQFSSA-N -1 3 358.207 2.874 20 10 FFCDHM O=C1NC2(C[C@@H]1c1ccncc1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333841 1036540917 /nfs/dbraw/zinc/54/09/17/1036540917.db2.gz JPCSDNNYOVIVIK-CQSZACIVSA-N -1 3 373.403 2.704 20 10 FFCDHM Cc1cc(O[C@@H]2C(=O)OCC2(C)C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542503 1036729002 /nfs/dbraw/zinc/72/90/02/1036729002.db2.gz NTJJCCZCNHGQHB-LJQANCHMSA-N -1 3 366.369 2.806 20 10 FFCDHM CC1=C(Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)C(=O)O[C@@H]1C ZINC001234746736 1037164922 /nfs/dbraw/zinc/16/49/22/1037164922.db2.gz DMRXFTNOZRUPDD-MRVPVSSYSA-N -1 3 370.313 2.661 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@](O)(CF)CC1 ZINC001235295717 1037457234 /nfs/dbraw/zinc/45/72/34/1037457234.db2.gz FEBFCMXOJOEKQS-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001231447573 1037585629 /nfs/dbraw/zinc/58/56/29/1037585629.db2.gz WHZZUPQIMOSNIC-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001231447573 1037585643 /nfs/dbraw/zinc/58/56/43/1037585643.db2.gz WHZZUPQIMOSNIC-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231449239 1037588629 /nfs/dbraw/zinc/58/86/29/1037588629.db2.gz HJYRMXYNRXYTNG-HNNXBMFYSA-N -1 3 364.442 2.922 20 10 FFCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231449239 1037588641 /nfs/dbraw/zinc/58/86/41/1037588641.db2.gz HJYRMXYNRXYTNG-HNNXBMFYSA-N -1 3 364.442 2.922 20 10 FFCDHM CN(C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1)C(=O)OC(C)(C)C ZINC001231455927 1037597324 /nfs/dbraw/zinc/59/73/24/1037597324.db2.gz XTXDWSUIXIRAQY-ZDUSSCGKSA-N -1 3 364.442 2.779 20 10 FFCDHM CN(C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1)C(=O)OC(C)(C)C ZINC001231455927 1037597334 /nfs/dbraw/zinc/59/73/34/1037597334.db2.gz XTXDWSUIXIRAQY-ZDUSSCGKSA-N -1 3 364.442 2.779 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1 ZINC001231566874 1037692436 /nfs/dbraw/zinc/69/24/36/1037692436.db2.gz SEGDPPLZLMKNCO-QGZVFWFLSA-N -1 3 372.396 2.624 20 10 FFCDHM CC(=O)N1CCC[C@@]2(CN(Cc3cc(Cl)c(C)cc3[O-])CCO2)C1 ZINC001231868490 1037964471 /nfs/dbraw/zinc/96/44/71/1037964471.db2.gz CNFLUQBSQRWWFT-GOSISDBHSA-N -1 3 352.862 2.567 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(CC(=O)OC(C)(C)C)CC2)cc1Cl ZINC001231870761 1037967330 /nfs/dbraw/zinc/96/73/30/1037967330.db2.gz RWFJLVYYHGNVMA-UHFFFAOYSA-N -1 3 354.878 2.813 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](Oc3cnccn3)C2)c1 ZINC001236668445 1038180956 /nfs/dbraw/zinc/18/09/56/1038180956.db2.gz BBRGGRMFULHNJX-ZDUSSCGKSA-N -1 3 364.243 2.906 20 10 FFCDHM CCC(=O)NC1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001236666273 1038181173 /nfs/dbraw/zinc/18/11/73/1038181173.db2.gz NSKMQMQVRKWZFD-UHFFFAOYSA-N -1 3 355.276 2.954 20 10 FFCDHM COc1ccc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)c([O-])c1Cl ZINC001236808683 1038282029 /nfs/dbraw/zinc/28/20/29/1038282029.db2.gz ICKNQAIPEINOHD-GFCCVEGCSA-N -1 3 353.781 2.637 20 10 FFCDHM COc1ccnc(O[C@H]2CCN(Cc3ccc(OC)c(Cl)c3[O-])C2)n1 ZINC001236818475 1038289885 /nfs/dbraw/zinc/28/98/85/1038289885.db2.gz NBRHYMMFEZOGKF-LBPRGKRZSA-N -1 3 365.817 2.506 20 10 FFCDHM COC(=O)C1CCN(Cc2c([O-])cc(OC)cc2Br)CC1 ZINC001237066430 1038431404 /nfs/dbraw/zinc/43/14/04/1038431404.db2.gz VNYYYYITOKSQAY-UHFFFAOYSA-N -1 3 358.232 2.548 20 10 FFCDHM O=C(COC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1)NC1CC1 ZINC001237084630 1038439758 /nfs/dbraw/zinc/43/97/58/1038439758.db2.gz MNANUOIFVYNZKW-UHFFFAOYSA-N -1 3 373.280 2.959 20 10 FFCDHM CC(C)(C)c1cc([O-])c(CN2CCN(CC(N)=O)C(C)(C)C2)cc1Cl ZINC001248883747 1040494095 /nfs/dbraw/zinc/49/40/95/1040494095.db2.gz PLNHTAVEGFKKKA-UHFFFAOYSA-N -1 3 367.921 2.725 20 10 FFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ncccc2Br)no1 ZINC001215327506 1041739990 /nfs/dbraw/zinc/73/99/90/1041739990.db2.gz DSWIMKOXZHPGKR-UHFFFAOYSA-N -1 3 350.128 2.678 20 10 FFCDHM C[C@@H]1CC[C@@H](CO)CN1Cc1cccc(I)c1[O-] ZINC001237778530 1043354507 /nfs/dbraw/zinc/35/45/07/1043354507.db2.gz XNJXIZFGBQCACG-GHMZBOCLSA-N -1 3 361.223 2.590 20 10 FFCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([O-])cc(Br)c1 ZINC001296247719 1050041267 /nfs/dbraw/zinc/04/12/67/1050041267.db2.gz WQICJZDWNBIKCR-VIFPVBQESA-N -1 3 366.211 2.927 20 10 FFCDHM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1)C(F)(F)F ZINC001308793472 1052499911 /nfs/dbraw/zinc/49/99/11/1052499911.db2.gz ALAOFLRESHMBAC-JTQLQIEISA-N -1 3 350.768 2.936 20 10 FFCDHM O=C([N-]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1)C(F)(F)F ZINC001308793472 1052499912 /nfs/dbraw/zinc/49/99/12/1052499912.db2.gz ALAOFLRESHMBAC-JTQLQIEISA-N -1 3 350.768 2.936 20 10 FFCDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2F)c1 ZINC001309225310 1052578393 /nfs/dbraw/zinc/57/83/93/1052578393.db2.gz DWVWBYAKEYOUJZ-QMMMGPOBSA-N -1 3 360.794 2.628 20 10 FFCDHM CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)c1cccc(O)c1[O-] ZINC001336868336 1054301692 /nfs/dbraw/zinc/30/16/92/1054301692.db2.gz IOIDGSJYMGEHNO-UHFFFAOYSA-N -1 3 362.426 2.760 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001353850361 1058289949 /nfs/dbraw/zinc/28/99/49/1058289949.db2.gz CCJVBYYODGVQQI-AWEZNQCLSA-N -1 3 372.856 2.989 20 10 FFCDHM O=C(N[C@@H]1COc2cccc(Br)c2C1)c1cccc(O)c1[O-] ZINC001455113293 1059698244 /nfs/dbraw/zinc/69/82/44/1059698244.db2.gz NLDGECRBVZWPKC-VIFPVBQESA-N -1 3 364.195 2.594 20 10 FFCDHM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC001478048980 1061885073 /nfs/dbraw/zinc/88/50/73/1061885073.db2.gz ZJJONNKJLMQTET-UHFFFAOYSA-N -1 3 355.410 2.634 20 10 FFCDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Br)c1 ZINC001471305950 1064634117 /nfs/dbraw/zinc/63/41/17/1064634117.db2.gz AJFCNCAHMZDEAV-ZDUSSCGKSA-N -1 3 366.211 2.978 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001471976369 1064875576 /nfs/dbraw/zinc/87/55/76/1064875576.db2.gz XMZYXNXDZLCBSV-HNNXBMFYSA-N -1 3 366.186 2.914 20 10 FFCDHM C[C@H]1CCCCN1C(=O)CN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001474356654 1065500738 /nfs/dbraw/zinc/50/07/38/1065500738.db2.gz PLVXIQKASWMUJS-HNNXBMFYSA-N -1 3 365.905 2.564 20 10 FFCDHM FC(F)Oc1ccc2c(c1)CCCN2Cc1cc(-c2nnn[n-]2)ccn1 ZINC001581850931 1079005930 /nfs/dbraw/zinc/00/59/30/1079005930.db2.gz CGUAGXJURMAFSV-UHFFFAOYSA-N -1 3 358.352 2.816 20 10 FFCDHM FC(F)Oc1ccc2c(c1)CCCN2Cc1cc(-c2nn[n-]n2)ccn1 ZINC001581850931 1079005936 /nfs/dbraw/zinc/00/59/36/1079005936.db2.gz CGUAGXJURMAFSV-UHFFFAOYSA-N -1 3 358.352 2.816 20 10 FFCDHM CCc1ccccc1N1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001558454639 1076009062 /nfs/dbraw/zinc/00/90/62/1076009062.db2.gz DRIBWEMJYWXYLF-AWEZNQCLSA-N -1 3 356.397 2.763 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1nnc(C(F)(F)F)[n-]1 ZINC001561058340 1076326450 /nfs/dbraw/zinc/32/64/50/1076326450.db2.gz NDQVJHRHNNZCFC-UHFFFAOYSA-N -1 3 369.116 2.721 20 10 FFCDHM CCCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1[O-] ZINC000069009963 507380018 /nfs/dbraw/zinc/38/00/18/507380018.db2.gz VIUCRIKNTQCBAO-UHFFFAOYSA-N -1 3 353.422 2.590 20 10 FFCDHM CCC[C@@]1(C)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000075500388 508111396 /nfs/dbraw/zinc/11/13/96/508111396.db2.gz KLGSYQWEUVRDFW-KRWDZBQOSA-N -1 3 354.472 2.806 20 10 FFCDHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(Br)ccc1[O-])CC2 ZINC000093613084 508149953 /nfs/dbraw/zinc/14/99/53/508149953.db2.gz BDGMETXGKCYEMG-CVEARBPZSA-N -1 3 370.287 2.907 20 10 FFCDHM COc1ccc(N2CCN(C(=O)c3cccc(OC)c3[O-])CC2)cc1F ZINC000134068984 508489171 /nfs/dbraw/zinc/48/91/71/508489171.db2.gz QOFQLOXGTJURQU-UHFFFAOYSA-N -1 3 360.385 2.511 20 10 FFCDHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(Br)cc1[O-] ZINC000186030389 509489155 /nfs/dbraw/zinc/48/91/55/509489155.db2.gz YISOODCKGMBPJI-VHSXEESVSA-N -1 3 350.278 2.629 20 10 FFCDHM C[C@@H](c1ccccc1)N(CC(=O)N1CCNC1=O)Cc1ccccc1[O-] ZINC000176680432 509637943 /nfs/dbraw/zinc/63/79/43/509637943.db2.gz LUGKJVUTHINYOK-HNNXBMFYSA-N -1 3 353.422 2.507 20 10 FFCDHM COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000264691071 509649774 /nfs/dbraw/zinc/64/97/74/509649774.db2.gz HJUWHMDWKZHSBW-CYBMUJFWSA-N -1 3 371.437 2.818 20 10 FFCDHM Cc1cc(Br)cc(CN2CCN(c3cccnn3)CC2)c1[O-] ZINC000179972276 509695023 /nfs/dbraw/zinc/69/50/23/509695023.db2.gz MUMRXQGNXUHVRL-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000193159300 509801527 /nfs/dbraw/zinc/80/15/27/509801527.db2.gz WRSHWEGFGXPBNM-JTQLQIEISA-N -1 3 355.316 2.790 20 10 FFCDHM COc1cc(Cl)cc(CN2CCN(Cc3c(C)noc3C)CC2)c1[O-] ZINC000184681534 510459609 /nfs/dbraw/zinc/45/96/09/510459609.db2.gz OUJXUGFKDJBGGK-UHFFFAOYSA-N -1 3 365.861 2.977 20 10 FFCDHM Cn1cc(-c2cc(CN(Cc3ccccc3[O-])C[C@H]3CCCO3)on2)cn1 ZINC000185032890 510646263 /nfs/dbraw/zinc/64/62/63/510646263.db2.gz TUVQOKFWLKQFBP-QGZVFWFLSA-N -1 3 368.437 2.962 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1nccn1C ZINC000266750668 510764512 /nfs/dbraw/zinc/76/45/12/510764512.db2.gz CCWRHVHPKZZWCX-UHFFFAOYSA-N -1 3 367.247 2.620 20 10 FFCDHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000263684747 510789563 /nfs/dbraw/zinc/78/95/63/510789563.db2.gz LSMFHYFUQKVWGR-CQSZACIVSA-N -1 3 374.462 2.702 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185322546 510806701 /nfs/dbraw/zinc/80/67/01/510806701.db2.gz OFIROCGHLVIYRN-NEPJUHHUSA-N -1 3 352.431 2.851 20 10 FFCDHM COC(=O)[C@@H](CC(F)(F)F)NCc1cc(Br)ccc1[O-] ZINC000276381431 510935131 /nfs/dbraw/zinc/93/51/31/510935131.db2.gz AQZYYIIOONMTHC-SECBINFHSA-N -1 3 356.138 2.738 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1COc2ccccc2C1 ZINC000277403133 510961926 /nfs/dbraw/zinc/96/19/26/510961926.db2.gz QDPCBZFEJLUEGL-HNNXBMFYSA-N -1 3 372.808 2.814 20 10 FFCDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc([O-])ccc1Cl ZINC000277419214 510962137 /nfs/dbraw/zinc/96/21/37/510962137.db2.gz MFOOYZBVUUCZMQ-UHFFFAOYSA-N -1 3 364.804 2.951 20 10 FFCDHM COc1c([O-])c(CN[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278112502 510982376 /nfs/dbraw/zinc/98/23/76/510982376.db2.gz BTAOCNBYBMUOQK-FTJNGKRUSA-N -1 3 364.423 2.897 20 10 FFCDHM COC(=O)c1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278192344 510985559 /nfs/dbraw/zinc/98/55/59/510985559.db2.gz IDPIMFREGFIULQ-UHFFFAOYSA-N -1 3 360.366 2.728 20 10 FFCDHM C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc(F)ccc1[O-] ZINC000278510164 510995885 /nfs/dbraw/zinc/99/58/85/510995885.db2.gz RJWBWNBPKLTAHS-GFCCVEGCSA-N -1 3 356.405 2.877 20 10 FFCDHM CCCc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000285981567 511017518 /nfs/dbraw/zinc/01/75/18/511017518.db2.gz KPBAOHVDZRIXDV-UHFFFAOYSA-N -1 3 362.817 2.700 20 10 FFCDHM C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000282663693 511065957 /nfs/dbraw/zinc/06/59/57/511065957.db2.gz IRSIEKNWKDNVRA-CYBMUJFWSA-N -1 3 369.433 2.979 20 10 FFCDHM COc1c([O-])c(CN[C@@H]2CCN(c3ccc(C)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000364761630 511068205 /nfs/dbraw/zinc/06/82/05/511068205.db2.gz VWLCKUGQZSILEY-OAHLLOKOSA-N -1 3 371.393 2.513 20 10 FFCDHM CC(F)(F)C(=O)[N-]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000288616722 511081507 /nfs/dbraw/zinc/08/15/07/511081507.db2.gz RFKDYYNVTCGGCM-UHFFFAOYSA-N -1 3 352.303 2.813 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1O ZINC000295438505 511405272 /nfs/dbraw/zinc/40/52/72/511405272.db2.gz ZUOOFOMIUUHPHR-CQSZACIVSA-N -1 3 364.442 2.782 20 10 FFCDHM COc1cccc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)[n-]nc21 ZINC000292034055 511438823 /nfs/dbraw/zinc/43/88/23/511438823.db2.gz XBMNZTZKSPRDKO-UHFFFAOYSA-N -1 3 352.394 2.677 20 10 FFCDHM COc1cccc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)n[n-]c21 ZINC000292034055 511438826 /nfs/dbraw/zinc/43/88/26/511438826.db2.gz XBMNZTZKSPRDKO-UHFFFAOYSA-N -1 3 352.394 2.677 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273551292 511531003 /nfs/dbraw/zinc/53/10/03/511531003.db2.gz GBNQVCKTOAETAS-CYBMUJFWSA-N -1 3 368.433 2.922 20 10 FFCDHM Cc1cccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000293630996 512033239 /nfs/dbraw/zinc/03/32/39/512033239.db2.gz JXJUFNZYVIWMSG-UHFFFAOYSA-N -1 3 362.451 2.653 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCOC3(CCOCC3)CC2)c1[O-] ZINC000364236629 512037111 /nfs/dbraw/zinc/03/71/11/512037111.db2.gz MDGIQPRSPNSHOX-UHFFFAOYSA-N -1 3 356.806 2.725 20 10 FFCDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC)cc3O)nc2)n1 ZINC000366503755 512058265 /nfs/dbraw/zinc/05/82/65/512058265.db2.gz GFGYIAZJBKBHNG-UHFFFAOYSA-N -1 3 352.394 2.555 20 10 FFCDHM COc1cc(NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc(OC)c1 ZINC000364397586 512106448 /nfs/dbraw/zinc/10/64/48/512106448.db2.gz MWSMZZRNQNVRBO-UHFFFAOYSA-N -1 3 372.421 2.832 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC23CCCCC3)c1 ZINC000367454993 512506289 /nfs/dbraw/zinc/50/62/89/512506289.db2.gz ZPCBLODADPOYLG-UHFFFAOYSA-N -1 3 352.456 2.703 20 10 FFCDHM O=C(C[C@@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370809914 513107184 /nfs/dbraw/zinc/10/71/84/513107184.db2.gz KVCVNYCZUFBQNT-XJKSGUPXSA-N -1 3 352.862 2.553 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)ccc21 ZINC000440362111 513299815 /nfs/dbraw/zinc/29/98/15/513299815.db2.gz DHYPDHCHUGOFOX-UHFFFAOYSA-N -1 3 370.409 2.666 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000530207288 517631499 /nfs/dbraw/zinc/63/14/99/517631499.db2.gz FNXWABUQNOSQCF-ZAQLIGFBSA-N -1 3 352.818 2.622 20 10 FFCDHM Oc1ccc2c(c1CNc1nc3c(cc1-c1nnn[n-]1)CCC3)CCCC2 ZINC000823732972 599063855 /nfs/dbraw/zinc/06/38/55/599063855.db2.gz QXLIGDYVWGUIDF-UHFFFAOYSA-N -1 3 362.437 2.947 20 10 FFCDHM Oc1ccc2c(c1CNc1nc3c(cc1-c1nn[n-]n1)CCC3)CCCC2 ZINC000823732972 599063857 /nfs/dbraw/zinc/06/38/57/599063857.db2.gz QXLIGDYVWGUIDF-UHFFFAOYSA-N -1 3 362.437 2.947 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736479814 598543164 /nfs/dbraw/zinc/54/31/64/598543164.db2.gz IKSJXBRSTUDZBH-UHFFFAOYSA-N -1 3 366.425 2.694 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736479814 598543165 /nfs/dbraw/zinc/54/31/65/598543165.db2.gz IKSJXBRSTUDZBH-UHFFFAOYSA-N -1 3 366.425 2.694 20 10 FFCDHM C[C@@H](N[C@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471940 604359078 /nfs/dbraw/zinc/35/90/78/604359078.db2.gz DLFLMMFKOKNHFO-SJKOYZFVSA-N -1 3 367.877 2.873 20 10 FFCDHM COc1ccc(N(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000821828085 606923413 /nfs/dbraw/zinc/92/34/13/606923413.db2.gz PQWKAOFZPIQXJU-QGZVFWFLSA-N -1 3 371.416 2.963 20 10 FFCDHM COc1ccc(N(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000821828085 606923415 /nfs/dbraw/zinc/92/34/15/606923415.db2.gz PQWKAOFZPIQXJU-QGZVFWFLSA-N -1 3 371.416 2.963 20 10 FFCDHM Cc1nnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nnn[n-]2)c1C ZINC000826335975 608295996 /nfs/dbraw/zinc/29/59/96/608295996.db2.gz IOPXYFXVKSBQTE-UHFFFAOYSA-N -1 3 368.832 2.616 20 10 FFCDHM Cc1nnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nn[n-]n2)c1C ZINC000826335975 608295998 /nfs/dbraw/zinc/29/59/98/608295998.db2.gz IOPXYFXVKSBQTE-UHFFFAOYSA-N -1 3 368.832 2.616 20 10 FFCDHM CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000825880222 608575155 /nfs/dbraw/zinc/57/51/55/608575155.db2.gz ZHWXBJSKCQOYLA-UHFFFAOYSA-N -1 3 374.807 2.655 20 10 FFCDHM CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000825880222 608575157 /nfs/dbraw/zinc/57/51/57/608575157.db2.gz ZHWXBJSKCQOYLA-UHFFFAOYSA-N -1 3 374.807 2.655 20 10 FFCDHM CCCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC1 ZINC000092433826 728467320 /nfs/dbraw/zinc/46/73/20/728467320.db2.gz WHDLITMPTQQOQZ-HNNXBMFYSA-N -1 3 354.472 2.852 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2nc3ccccc3s2)CC1 ZINC000187055848 729372158 /nfs/dbraw/zinc/37/21/58/729372158.db2.gz LFWYXYBBDWCIOD-UHFFFAOYSA-N -1 3 355.419 2.670 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000189425615 729399131 /nfs/dbraw/zinc/39/91/31/729399131.db2.gz CARIQUXWRXMUBY-UHFFFAOYSA-N -1 3 352.387 2.853 20 10 FFCDHM C[C@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434721 730425681 /nfs/dbraw/zinc/42/56/81/730425681.db2.gz NOOHHDWGCLNIJS-UFBFGSQYSA-N -1 3 374.666 2.926 20 10 FFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000862252752 730682365 /nfs/dbraw/zinc/68/23/65/730682365.db2.gz GRGMOOAUUVZMPT-DIOULYMOSA-N -1 3 356.260 2.923 20 10 FFCDHM COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(Br)ccc1[O-] ZINC000862516421 730706067 /nfs/dbraw/zinc/70/60/67/730706067.db2.gz QYTMTUFHTKRIRT-BXUZGUMPSA-N -1 3 372.259 2.603 20 10 FFCDHM CCOC(=O)c1cc(CNCc2c([O-])cccc2Br)on1 ZINC000865763610 730994620 /nfs/dbraw/zinc/99/46/20/730994620.db2.gz LNOQPEDERHZXHH-UHFFFAOYSA-N -1 3 355.188 2.609 20 10 FFCDHM COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Br)ccc1[O-] ZINC000895591917 735028676 /nfs/dbraw/zinc/02/86/76/735028676.db2.gz QYXWIHKJEXHHGO-CQSZACIVSA-N -1 3 372.259 2.603 20 10 FFCDHM CN(CC(=O)NCc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000769467288 737532820 /nfs/dbraw/zinc/53/28/20/737532820.db2.gz SGLXWNWINKTHFP-UHFFFAOYSA-N -1 3 363.255 2.903 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)C1(COCc2ccccc2)CC1 ZINC000921451543 737986266 /nfs/dbraw/zinc/98/62/66/737986266.db2.gz RRSPWDIJZDEKRX-UHFFFAOYSA-N -1 3 365.426 2.700 20 10 FFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(C)c(C)c1O ZINC000775291188 738079825 /nfs/dbraw/zinc/07/98/25/738079825.db2.gz DNBZVMBPEDNZRK-UHFFFAOYSA-N -1 3 358.419 2.960 20 10 FFCDHM CC(C)(C)OC(=O)NCC1(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC000928706645 738897770 /nfs/dbraw/zinc/89/77/70/738897770.db2.gz SZEFSZNKRULVNR-UHFFFAOYSA-N -1 3 352.406 2.843 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@]3(C)COC(=O)N3)CC2)c1[O-] ZINC000932093521 739385320 /nfs/dbraw/zinc/38/53/20/739385320.db2.gz LRTQMLFDECNAAT-GOSISDBHSA-N -1 3 366.845 2.959 20 10 FFCDHM COc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1OC(F)F ZINC000790622046 739476517 /nfs/dbraw/zinc/47/65/17/739476517.db2.gz AOFJNQUHWNOQOC-UHFFFAOYSA-N -1 3 353.321 2.680 20 10 FFCDHM C[C@@H]1OCC[C@@]12CN(Cc1cc(Br)ccc1[O-])C[C@@H](C)O2 ZINC000790932271 739515453 /nfs/dbraw/zinc/51/54/53/739515453.db2.gz NFIJIWYVKZLOJY-BFQNTYOBSA-N -1 3 356.260 2.923 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCOc2c(Br)cccc2C1 ZINC000792529017 739680595 /nfs/dbraw/zinc/68/05/95/739680595.db2.gz RAJFTZMJHLBGOV-UHFFFAOYSA-N -1 3 364.195 2.895 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000793232579 739755784 /nfs/dbraw/zinc/75/57/84/739755784.db2.gz YUUXIWJIHBVGPC-MLGOLLRUSA-N -1 3 356.260 2.843 20 10 FFCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511307 742037018 /nfs/dbraw/zinc/03/70/18/742037018.db2.gz TZYOZVIPKXVIAR-LLVKDONJSA-N -1 3 354.731 2.780 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824576819 743110653 /nfs/dbraw/zinc/11/06/53/743110653.db2.gz UMYBXVOPXJSQFD-GFCCVEGCSA-N -1 3 357.248 2.736 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccsn1 ZINC000827095672 743505363 /nfs/dbraw/zinc/50/53/63/743505363.db2.gz JYDNGPGXABTMNL-ZDUSSCGKSA-N -1 3 351.859 2.897 20 10 FFCDHM C[C@]1(C2CCCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000831201963 745497592 /nfs/dbraw/zinc/49/75/92/745497592.db2.gz LTZGOHYUHWCJLA-GOSISDBHSA-N -1 3 366.483 2.949 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000837155570 746380745 /nfs/dbraw/zinc/38/07/45/746380745.db2.gz LZZVOZQPETUSOB-FRRDWIJNSA-N -1 3 354.472 2.708 20 10 FFCDHM COC(=O)CN(CCn1cc(Cl)cn1)Cc1cc(Cl)ccc1[O-] ZINC000838895611 746732162 /nfs/dbraw/zinc/73/21/62/746732162.db2.gz POPZUNPQRVMJIJ-UHFFFAOYSA-N -1 3 358.225 2.571 20 10 FFCDHM Cc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000841568642 747405231 /nfs/dbraw/zinc/40/52/31/747405231.db2.gz DKUHPGZGBJLQAM-GFCCVEGCSA-N -1 3 353.513 2.735 20 10 FFCDHM COc1cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c(O)cc1C ZINC000848501741 748942751 /nfs/dbraw/zinc/94/27/51/748942751.db2.gz DXAXXZZNJLXKHH-DGCLKSJQSA-N -1 3 360.376 2.741 20 10 FFCDHM C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cc(Br)ccc1[O-] ZINC000848556862 748960307 /nfs/dbraw/zinc/96/03/07/748960307.db2.gz FICKLCKDIVLPEB-TVQRCGJNSA-N -1 3 367.247 2.975 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000055668561 845336826 /nfs/dbraw/zinc/33/68/26/845336826.db2.gz MQOWURYEHNKHDJ-UHFFFAOYSA-N -1 3 372.443 2.697 20 10 FFCDHM CS[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826225705 947665665 /nfs/dbraw/zinc/66/56/65/947665665.db2.gz ISVPEJZBEUCNGT-GFCCVEGCSA-N -1 3 370.482 2.756 20 10 FFCDHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279106351 960065387 /nfs/dbraw/zinc/06/53/87/960065387.db2.gz CHASHLSAXFAFQK-HIFRSBDPSA-N -1 3 362.424 2.593 20 10 FFCDHM COC(=O)C[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000176134199 965306966 /nfs/dbraw/zinc/30/69/66/965306966.db2.gz LAXFSRIKXLOMTA-CYBMUJFWSA-N -1 3 359.422 2.781 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923916019 975504503 /nfs/dbraw/zinc/50/45/03/975504503.db2.gz GSNCVQOYJJGSSU-HAQNSBGRSA-N -1 3 367.421 2.634 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)CC2(C(=O)[O-])CCCC2)N(C)C)cc1 ZINC000899854754 977365576 /nfs/dbraw/zinc/36/55/76/977365576.db2.gz OFFIPNFXOZFMFB-QGZVFWFLSA-N -1 3 361.486 2.507 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)CC2(C(=O)[O-])CCCC2)N(C)C)cc1 ZINC000899854753 977365632 /nfs/dbraw/zinc/36/56/32/977365632.db2.gz OFFIPNFXOZFMFB-KRWDZBQOSA-N -1 3 361.486 2.507 20 10 FFCDHM CN(C)C(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168521946 989997319 /nfs/dbraw/zinc/99/73/19/989997319.db2.gz MANOUMLSHXCTIH-UHFFFAOYSA-N -1 3 357.801 2.698 20 10 FFCDHM COC(=O)Cc1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168523081 990172976 /nfs/dbraw/zinc/17/29/76/990172976.db2.gz ZBISNZCAOYFZNX-UHFFFAOYSA-N -1 3 358.785 2.711 20 10 FFCDHM [O-]c1c(CNc2ccc(-n3cnnn3)nc2)cc(Cl)c2cccnc12 ZINC001168523291 990258130 /nfs/dbraw/zinc/25/81/30/990258130.db2.gz MXWSJWKUYDKJHQ-UHFFFAOYSA-N -1 3 353.773 2.577 20 10 FFCDHM N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179937295 991376338 /nfs/dbraw/zinc/37/63/38/991376338.db2.gz WASJTNJLGMCYSJ-UHFFFAOYSA-N -1 3 368.368 2.973 20 10 FFCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)[n-]n1 ZINC000180940490 991582676 /nfs/dbraw/zinc/58/26/76/991582676.db2.gz CZMZEKMDSHOPDB-UHFFFAOYSA-N -1 3 353.382 2.641 20 10 FFCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[n-]1 ZINC000180940490 991582687 /nfs/dbraw/zinc/58/26/87/991582687.db2.gz CZMZEKMDSHOPDB-UHFFFAOYSA-N -1 3 353.382 2.641 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccc(OC)cc3C(=O)N2C2CC2)c1 ZINC000730272202 997048466 /nfs/dbraw/zinc/04/84/66/997048466.db2.gz GQROTGMWBNCFPX-SFHVURJKSA-N -1 3 368.389 2.916 20 10 FFCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)c(C)c2)C(=O)[O-])c(OC)c1 ZINC001599531210 997656790 /nfs/dbraw/zinc/65/67/90/997656790.db2.gz IFCGQCRYURWLMX-LJQANCHMSA-N -1 3 358.438 2.994 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H](Oc2cnccn2)C1 ZINC001144308033 998305000 /nfs/dbraw/zinc/30/50/00/998305000.db2.gz HPCVUIILMRMVGN-NSHDSACASA-N -1 3 368.206 2.737 20 10 FFCDHM Cc1ccccc1C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000846289519 1000255397 /nfs/dbraw/zinc/25/53/97/1000255397.db2.gz HLDAFGFOUWQTFT-UHFFFAOYSA-N -1 3 374.462 2.881 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000769736136 1000595698 /nfs/dbraw/zinc/59/56/98/1000595698.db2.gz QQLATKMTKPVUSQ-UHFFFAOYSA-N -1 3 374.462 2.611 20 10 FFCDHM CC1(C)N(C(=O)c2cccc(O)c2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001148218615 1001071615 /nfs/dbraw/zinc/07/16/15/1001071615.db2.gz HXXTUFRBEKUSRS-HXUWFJFHSA-N -1 3 353.374 2.579 20 10 FFCDHM NC(=O)c1ccccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001148533452 1001164166 /nfs/dbraw/zinc/16/41/66/1001164166.db2.gz FAJCQSIIZHCIJA-UHFFFAOYSA-N -1 3 355.781 2.623 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001276192774 1016506277 /nfs/dbraw/zinc/50/62/77/1016506277.db2.gz SCWDUUQTSILJAY-DJJJIMSYSA-N -1 3 368.424 2.520 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790792674 1002492345 /nfs/dbraw/zinc/49/23/45/1002492345.db2.gz GBTOQNFUDUIELZ-OCCSQVGLSA-N -1 3 364.442 2.911 20 10 FFCDHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cccc(O)c1[O-] ZINC000790932514 1002514272 /nfs/dbraw/zinc/51/42/72/1002514272.db2.gz ZPBUPCFDNBDJNI-RHSMWYFYSA-N -1 3 369.417 2.879 20 10 FFCDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203650354 1003507976 /nfs/dbraw/zinc/50/79/76/1003507976.db2.gz QAKCCFAATMNZCD-AWEZNQCLSA-N -1 3 370.291 2.827 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c1[O-] ZINC000815140570 1006526598 /nfs/dbraw/zinc/52/65/98/1006526598.db2.gz BOLARGAKGLVRHT-IBGZPJMESA-N -1 3 370.424 2.667 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C(=O)NC3CC3)C2)c1[O-] ZINC001116211532 1032196058 /nfs/dbraw/zinc/19/60/58/1032196058.db2.gz HRSKZTWGEVIUJO-LBPRGKRZSA-N -1 3 350.846 2.739 20 10 FFCDHM C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000818639273 1007957780 /nfs/dbraw/zinc/95/77/80/1007957780.db2.gz JVLYBCUNERSJGY-WBMJQRKESA-N -1 3 372.396 2.719 20 10 FFCDHM C[C@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1[O-] ZINC000858564873 1008383044 /nfs/dbraw/zinc/38/30/44/1008383044.db2.gz XDGMTEGHGPTCLM-JTQLQIEISA-N -1 3 364.348 2.731 20 10 FFCDHM O=C(N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1)c1ccc(Cl)cc1 ZINC000887745394 1009560633 /nfs/dbraw/zinc/56/06/33/1009560633.db2.gz YEPWHCAJICKIAL-AWEZNQCLSA-N -1 3 374.824 2.786 20 10 FFCDHM O=C(Cn1nc2ccccc2n1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180299935 1009618864 /nfs/dbraw/zinc/61/88/64/1009618864.db2.gz WMEODYQTUMDZBV-UHFFFAOYSA-N -1 3 367.796 2.655 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000928711600 1019086300 /nfs/dbraw/zinc/08/63/00/1019086300.db2.gz JTEOWTFIUBOXAY-AWEZNQCLSA-N -1 3 372.425 2.821 20 10 FFCDHM Cc1ccc(OCC(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000779002844 1022631811 /nfs/dbraw/zinc/63/18/11/1022631811.db2.gz PUVXQUHNYLHBCX-UHFFFAOYSA-N -1 3 358.413 2.563 20 10 FFCDHM COC(=O)C1(C2(O)CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)CCC1 ZINC001120072149 1023229539 /nfs/dbraw/zinc/22/95/39/1023229539.db2.gz RXVVAMFYKWUXTO-UHFFFAOYSA-N -1 3 371.836 2.855 20 10 FFCDHM C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000757650263 1023843175 /nfs/dbraw/zinc/84/31/75/1023843175.db2.gz WAPKPERILBANKO-SDNWHVSQSA-N -1 3 374.462 2.939 20 10 FFCDHM [O-]c1cccc(F)c1CN1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001137841763 1033187647 /nfs/dbraw/zinc/18/76/47/1033187647.db2.gz UDWVDMJPORMCQM-JTQLQIEISA-N -1 3 357.307 2.993 20 10 FFCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000193978598 1024722641 /nfs/dbraw/zinc/72/26/41/1024722641.db2.gz RAENACPLTXHJJR-SFHVURJKSA-N -1 3 370.449 2.985 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001142418355 1030417362 /nfs/dbraw/zinc/41/73/62/1030417362.db2.gz CXDWENGGPZOYLE-CYBMUJFWSA-N -1 3 356.422 2.856 20 10 FFCDHM O=C(NC1CCC1)[C@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517432 1030566667 /nfs/dbraw/zinc/56/66/67/1030566667.db2.gz MZAMWJNGJKVKFQ-CQSZACIVSA-N -1 3 350.409 2.941 20 10 FFCDHM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2cc(Cl)ccc2[O-])C1 ZINC001203664384 1030814065 /nfs/dbraw/zinc/81/40/65/1030814065.db2.gz CLBDWIYDMXIVRA-GXTWGEPZSA-N -1 3 363.845 2.998 20 10 FFCDHM COc1ccc(N2CCN(C(=O)c3ccc(C)cc3[O-])CC2)c(OC)c1 ZINC001150480407 1031724109 /nfs/dbraw/zinc/72/41/09/1031724109.db2.gz QYHUJABPNSTVFG-UHFFFAOYSA-N -1 3 356.422 2.680 20 10 FFCDHM O=C(NCCOc1ccc(C(F)(F)F)cn1)NCc1c([O-])cccc1F ZINC001223889676 1033627895 /nfs/dbraw/zinc/62/78/95/1033627895.db2.gz JBBIIUCAEFLFPE-UHFFFAOYSA-N -1 3 373.306 2.823 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)CCNC(=O)OC(C)(C)C ZINC001139126803 1034956490 /nfs/dbraw/zinc/95/64/90/1034956490.db2.gz QNYHRPWMYFJFGJ-UHFFFAOYSA-N -1 3 362.426 2.764 20 10 FFCDHM Cc1ccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)nc1 ZINC001139129132 1034958882 /nfs/dbraw/zinc/95/88/82/1034958882.db2.gz NUDGPBXFWWEWAW-UHFFFAOYSA-N -1 3 365.433 2.833 20 10 FFCDHM COc1cc(OC[C@@H](C)OC)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227392395 1035532563 /nfs/dbraw/zinc/53/25/63/1035532563.db2.gz IBNWMIOFNLVCNZ-LLVKDONJSA-N -1 3 356.374 2.898 20 10 FFCDHM COc1cc(O[C@@H]2COC[C@H]2F)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227395333 1035533258 /nfs/dbraw/zinc/53/32/58/1035533258.db2.gz OIZFQRVIRGGVMX-CZUORRHYSA-N -1 3 372.348 2.600 20 10 FFCDHM CN(C)C(=O)N1CCCC12CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581100 1035660590 /nfs/dbraw/zinc/66/05/90/1035660590.db2.gz QCOGNMQYSRQKJY-UHFFFAOYSA-N -1 3 353.413 2.782 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@](C)(O)CC2)c1 ZINC001233306612 1036511994 /nfs/dbraw/zinc/51/19/94/1036511994.db2.gz XFSYWIYDSNMRPC-INIZCTEOSA-N -1 3 372.259 2.678 20 10 FFCDHM CN(Cc1c([O-])ccc(F)c1F)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001233336626 1036543653 /nfs/dbraw/zinc/54/36/53/1036543653.db2.gz TWQNEZDROBJRSW-CDMJZVDBSA-N -1 3 354.397 2.968 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC(n2cnnc2)CC1 ZINC001235300828 1037462244 /nfs/dbraw/zinc/46/22/44/1037462244.db2.gz ADPHONBRYDDYHF-UHFFFAOYSA-N -1 3 355.211 2.722 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1=O ZINC001277507857 1037541008 /nfs/dbraw/zinc/54/10/08/1037541008.db2.gz RVMRKIRDDFHMON-ADLMAVQZSA-N -1 3 368.836 2.587 20 10 FFCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452517 1037590784 /nfs/dbraw/zinc/59/07/84/1037590784.db2.gz QCJSIPVPJJFZLC-AWEZNQCLSA-N -1 3 350.415 2.532 20 10 FFCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452517 1037590787 /nfs/dbraw/zinc/59/07/87/1037590787.db2.gz QCJSIPVPJJFZLC-AWEZNQCLSA-N -1 3 350.415 2.532 20 10 FFCDHM O=C([O-])c1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1 ZINC001231451710 1037592445 /nfs/dbraw/zinc/59/24/45/1037592445.db2.gz QVBDULVJYRZBDZ-UHFFFAOYSA-N -1 3 366.421 2.543 20 10 FFCDHM CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453132 1037594323 /nfs/dbraw/zinc/59/43/23/1037594323.db2.gz CFWYPKGEGKEGRH-MRXNPFEDSA-N -1 3 367.442 2.661 20 10 FFCDHM CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453132 1037594331 /nfs/dbraw/zinc/59/43/31/1037594331.db2.gz CFWYPKGEGKEGRH-MRXNPFEDSA-N -1 3 367.442 2.661 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1 ZINC001231452929 1037594788 /nfs/dbraw/zinc/59/47/88/1037594788.db2.gz XKFHOZZXVPOOBH-LLVKDONJSA-N -1 3 371.315 2.872 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1 ZINC001231452929 1037594798 /nfs/dbraw/zinc/59/47/98/1037594798.db2.gz XKFHOZZXVPOOBH-LLVKDONJSA-N -1 3 371.315 2.872 20 10 FFCDHM CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231455516 1037597617 /nfs/dbraw/zinc/59/76/17/1037597617.db2.gz QOWMUKVOMNZGEP-OAHLLOKOSA-N -1 3 364.442 2.922 20 10 FFCDHM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231455516 1037597626 /nfs/dbraw/zinc/59/76/26/1037597626.db2.gz QOWMUKVOMNZGEP-OAHLLOKOSA-N -1 3 364.442 2.922 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1Cl ZINC001231867019 1037962107 /nfs/dbraw/zinc/96/21/07/1037962107.db2.gz GOKZVPSAQDDKMC-AWEZNQCLSA-N -1 3 370.877 2.768 20 10 FFCDHM Cc1cc([O-])c(CN2CCn3c(CNC(=O)C4CC4)cnc3C2)cc1Cl ZINC001231868213 1037965815 /nfs/dbraw/zinc/96/58/15/1037965815.db2.gz SFBYFESDADBKMB-UHFFFAOYSA-N -1 3 374.872 2.593 20 10 FFCDHM COCCOc1ccc(N2CCN(Cc3ccc(F)c([O-])c3)CC2)cc1 ZINC001236709524 1038210085 /nfs/dbraw/zinc/21/00/85/1038210085.db2.gz ZMGNLCNHYAEHTF-UHFFFAOYSA-N -1 3 360.429 2.879 20 10 FFCDHM COc1ccnc(N2CCN(Cc3c([O-])cc(OC)cc3Cl)CC2)c1 ZINC001236806260 1038281227 /nfs/dbraw/zinc/28/12/27/1038281227.db2.gz RVTVUVOKLNRWPG-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM COC(=O)c1cnc2c(c1)CN(Cc1c([O-])cc(OC)cc1Cl)CC2 ZINC001236805966 1038281797 /nfs/dbraw/zinc/28/17/97/1038281797.db2.gz JVVAQDFTOABLRT-UHFFFAOYSA-N -1 3 362.813 2.794 20 10 FFCDHM CCOCCN1CC[C@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278023162 1038332069 /nfs/dbraw/zinc/33/20/69/1038332069.db2.gz MQXFMEFVFIYGCQ-GOSISDBHSA-N -1 3 370.852 2.788 20 10 FFCDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1c([O-])cc(OC)cc1Br ZINC001237064179 1038429815 /nfs/dbraw/zinc/42/98/15/1038429815.db2.gz DUKSNEMNRTZDGZ-HFBDOXOYSA-N -1 3 370.243 2.689 20 10 FFCDHM O=C1COCCN1C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085894 1038439913 /nfs/dbraw/zinc/43/99/13/1038439913.db2.gz KSEVYLDIIVIXCT-UHFFFAOYSA-N -1 3 359.253 2.522 20 10 FFCDHM [O-]c1ccc(F)c(Cl)c1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001237122414 1038448466 /nfs/dbraw/zinc/44/84/66/1038448466.db2.gz UXOWTCYSJYWQSW-HNNXBMFYSA-N -1 3 364.848 2.863 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001276606375 1038624674 /nfs/dbraw/zinc/62/46/74/1038624674.db2.gz YZJZOXZOPGTECZ-FQEVSTJZSA-N -1 3 358.438 2.600 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001276606375 1038624678 /nfs/dbraw/zinc/62/46/78/1038624678.db2.gz YZJZOXZOPGTECZ-FQEVSTJZSA-N -1 3 358.438 2.600 20 10 FFCDHM COC(=O)C1(O)CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1 ZINC001248884962 1040493822 /nfs/dbraw/zinc/49/38/22/1040493822.db2.gz HGFHZEWSSNUMFV-UHFFFAOYSA-N -1 3 355.862 2.843 20 10 FFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cncc(Br)c2)no1 ZINC001215327711 1041740096 /nfs/dbraw/zinc/74/00/96/1041740096.db2.gz PKCLFLWWLCYKBB-UHFFFAOYSA-N -1 3 350.128 2.678 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001279197683 1042941842 /nfs/dbraw/zinc/94/18/42/1042941842.db2.gz XMJUVTBHFVXIGT-UHFFFAOYSA-N -1 3 352.413 2.868 20 10 FFCDHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001279261169 1042971834 /nfs/dbraw/zinc/97/18/34/1042971834.db2.gz LMPDMTAPIBSKSC-CJNGLKHVSA-N -1 3 373.478 2.562 20 10 FFCDHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001279261169 1042971837 /nfs/dbraw/zinc/97/18/37/1042971837.db2.gz LMPDMTAPIBSKSC-CJNGLKHVSA-N -1 3 373.478 2.562 20 10 FFCDHM C[C@H]1CCCN(Cc2cccc(I)c2[O-])[C@H]1CO ZINC001237775171 1043350279 /nfs/dbraw/zinc/35/02/79/1043350279.db2.gz DKLRMDGPOOBBET-GWCFXTLKSA-N -1 3 361.223 2.590 20 10 FFCDHM COC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC001312410195 1044110045 /nfs/dbraw/zinc/11/00/45/1044110045.db2.gz MIJGDILYJGXMPG-OAHLLOKOSA-N -1 3 354.328 2.996 20 10 FFCDHM Cc1ccc(CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C2CC2)cc1C ZINC000738281535 1048676284 /nfs/dbraw/zinc/67/62/84/1048676284.db2.gz FFHWIIXIUGZUTL-UHFFFAOYSA-N -1 3 366.421 2.915 20 10 FFCDHM CCN(C[C@@H]1CCCO1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340094449 1050497737 /nfs/dbraw/zinc/49/77/37/1050497737.db2.gz DJZPQZPZANNOIR-NSHDSACASA-N -1 3 359.455 2.803 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)C[C@@H]1CCOC1 ZINC001340215171 1050622324 /nfs/dbraw/zinc/62/23/24/1050622324.db2.gz JVCSNDCDDSDYJA-NSHDSACASA-N -1 3 359.455 2.753 20 10 FFCDHM Cc1ccc(NC(=O)CSCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001303878585 1051464980 /nfs/dbraw/zinc/46/49/80/1051464980.db2.gz NWQOVEGBHAHRSA-UHFFFAOYSA-N -1 3 362.426 2.828 20 10 FFCDHM Cc1sc(NC(=O)C(=O)NCc2c([O-])cccc2F)nc1C(C)C ZINC001337031183 1054424316 /nfs/dbraw/zinc/42/43/16/1054424316.db2.gz PBAKYBXEWGWZNR-UHFFFAOYSA-N -1 3 351.403 2.675 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001338750887 1055783448 /nfs/dbraw/zinc/78/34/48/1055783448.db2.gz ZZMWILVXSQXDNH-NSHDSACASA-N -1 3 373.482 2.785 20 10 FFCDHM CCN(c1nnc(-c2sc3ncccc3c2[O-])n1C)[C@@H]1CCCOC1 ZINC001351383918 1056236508 /nfs/dbraw/zinc/23/65/08/1056236508.db2.gz RMCDUXZWYMIIJQ-LLVKDONJSA-N -1 3 359.455 2.803 20 10 FFCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cnc(-c2ccccn2)nc1 ZINC001520359463 1059636859 /nfs/dbraw/zinc/63/68/59/1059636859.db2.gz OYJBVJJNWOUUFT-UHFFFAOYSA-N -1 3 352.741 2.981 20 10 FFCDHM O=C([N-]Cc1cccc(O)c1O)C(F)(F)c1ncccc1Br ZINC001455314307 1059754616 /nfs/dbraw/zinc/75/46/16/1059754616.db2.gz FRUCPJITXBPRHU-UHFFFAOYSA-N -1 3 373.153 2.664 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001456093806 1060010831 /nfs/dbraw/zinc/01/08/31/1060010831.db2.gz OHJMGRQQOKSUEU-LLVKDONJSA-N -1 3 362.788 2.854 20 10 FFCDHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000848502460 1060185211 /nfs/dbraw/zinc/18/52/11/1060185211.db2.gz MWKLHUVFNAAYDV-IAQYHMDHSA-N -1 3 367.371 2.972 20 10 FFCDHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000848502460 1060185217 /nfs/dbraw/zinc/18/52/17/1060185217.db2.gz MWKLHUVFNAAYDV-IAQYHMDHSA-N -1 3 367.371 2.972 20 10 FFCDHM O=C(NCc1ncccc1Br)NCc1c([O-])cccc1F ZINC001479576924 1062570318 /nfs/dbraw/zinc/57/03/18/1062570318.db2.gz YBPJODWIQLQWQB-UHFFFAOYSA-N -1 3 354.179 2.688 20 10 FFCDHM CS(=O)(=O)Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001465866507 1063239348 /nfs/dbraw/zinc/23/93/48/1063239348.db2.gz QEXVJPVZKFVNLC-UHFFFAOYSA-N -1 3 370.377 2.537 20 10 FFCDHM O=C([O-])[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001574777741 1078081183 /nfs/dbraw/zinc/08/11/83/1078081183.db2.gz PJHSZLATIUUMBE-UWJYYQICSA-N -1 3 369.417 2.504 20 10 FFCDHM O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001574777741 1078081186 /nfs/dbraw/zinc/08/11/86/1078081186.db2.gz PJHSZLATIUUMBE-UWJYYQICSA-N -1 3 369.417 2.504 20 10 FFCDHM CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001471974443 1064876426 /nfs/dbraw/zinc/87/64/26/1064876426.db2.gz DRUBUCBRBIETOR-UHFFFAOYSA-N -1 3 351.399 2.643 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cnn2c1nccc2-c1cccnc1 ZINC001471975863 1064876444 /nfs/dbraw/zinc/87/64/44/1064876444.db2.gz KLYULCWIGGRWHN-UHFFFAOYSA-N -1 3 363.352 2.566 20 10 FFCDHM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC001556730234 1075769429 /nfs/dbraw/zinc/76/94/29/1075769429.db2.gz JCARRLFWGXVTQE-MLGOLLRUSA-N -1 3 372.396 2.719 20 10 FFCDHM O=C(N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001557170039 1075818434 /nfs/dbraw/zinc/81/84/34/1075818434.db2.gz BSDDYOJEBOMRID-CYBMUJFWSA-N -1 3 371.311 2.850 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1CSc1nc[nH]n1 ZINC001558454741 1076009142 /nfs/dbraw/zinc/00/91/42/1076009142.db2.gz LKXIXMVGSUFRPE-UHFFFAOYSA-N -1 3 358.398 2.872 20 10 FFCDHM CO[C@@H]1C[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968278 1076314419 /nfs/dbraw/zinc/31/44/19/1076314419.db2.gz JAHPEERSHYABJT-HUUCEWRRSA-N -1 3 361.392 2.675 20 10 FFCDHM C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589836942 1080788816 /nfs/dbraw/zinc/78/88/16/1080788816.db2.gz RAGXAOLYIRHOMB-STQMWFEESA-N -1 3 353.426 2.950 20 10 FFCDHM [O-]c1ccccc1CN(Cc1noc(C2CCOCC2)n1)C[C@@H]1CCCO1 ZINC000111233033 508081097 /nfs/dbraw/zinc/08/10/97/508081097.db2.gz LSFYSNYTQWHUCQ-KRWDZBQOSA-N -1 3 373.453 2.850 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000084090510 508265504 /nfs/dbraw/zinc/26/55/04/508265504.db2.gz AKDXZGAAZIDPMI-CVEARBPZSA-N -1 3 357.447 2.522 20 10 FFCDHM O=C(CC1CCOCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269377 508514926 /nfs/dbraw/zinc/51/49/26/508514926.db2.gz ODYYNZKXPQWAAK-QGZVFWFLSA-N -1 3 366.889 2.943 20 10 FFCDHM Cc1cc(Br)cc(CN2CCCN(C(=O)C3CC3)CC2)c1[O-] ZINC000119096241 508724891 /nfs/dbraw/zinc/72/48/91/508724891.db2.gz CTALKMNBAQHWLW-UHFFFAOYSA-N -1 3 367.287 2.907 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cncnc1C ZINC000120987357 509103384 /nfs/dbraw/zinc/10/33/84/509103384.db2.gz SENHCJRGMADZTL-UHFFFAOYSA-N -1 3 350.216 2.915 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000369498291 512439169 /nfs/dbraw/zinc/43/91/69/512439169.db2.gz AWICQSLQQWLUDS-AWEZNQCLSA-N -1 3 373.409 2.742 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)CC(=O)OC ZINC000163031280 509331982 /nfs/dbraw/zinc/33/19/82/509331982.db2.gz NFRBXUQGSYFTLN-JTQLQIEISA-N -1 3 358.232 2.702 20 10 FFCDHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cc(Br)ccc1[O-] ZINC000186029463 509489661 /nfs/dbraw/zinc/48/96/61/509489661.db2.gz KLTHZWPEZMNBHV-ZJUUUORDSA-N -1 3 350.278 2.629 20 10 FFCDHM C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186054951 509501538 /nfs/dbraw/zinc/50/15/38/509501538.db2.gz AJXZYXCQOVMNTH-NOZJJQNGSA-N -1 3 369.252 2.889 20 10 FFCDHM COc1cccc([C@@H](C)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000193021175 509739570 /nfs/dbraw/zinc/73/95/70/509739570.db2.gz XUXVSCQEWJQNLF-CQSZACIVSA-N -1 3 356.422 2.625 20 10 FFCDHM C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1[O-] ZINC000171926980 510456383 /nfs/dbraw/zinc/45/63/83/510456383.db2.gz QQWSPMBUKRREIS-MRXNPFEDSA-N -1 3 369.465 2.688 20 10 FFCDHM CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217914 510552428 /nfs/dbraw/zinc/55/24/28/510552428.db2.gz XRLHOVYJBBDOOK-QWRGUYRKSA-N -1 3 370.421 2.990 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CSCCS1 ZINC000277499883 510964696 /nfs/dbraw/zinc/96/46/96/510964696.db2.gz VKQKHZCHWHKVFN-GFCCVEGCSA-N -1 3 372.899 2.658 20 10 FFCDHM C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000282418089 510968520 /nfs/dbraw/zinc/96/85/20/510968520.db2.gz CQKUJJFFWZDGCH-CQSZACIVSA-N -1 3 351.443 2.839 20 10 FFCDHM C[C@@H]1C[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000278220323 510984694 /nfs/dbraw/zinc/98/46/94/510984694.db2.gz XBUTVGDMXSVOHR-NEPJUHHUSA-N -1 3 352.818 2.625 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000361154710 511002950 /nfs/dbraw/zinc/00/29/50/511002950.db2.gz SJZDAODXGQLEAF-CQSZACIVSA-N -1 3 366.464 2.803 20 10 FFCDHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(O)c3[O-])ccc2NC1=O ZINC000279425146 511079119 /nfs/dbraw/zinc/07/91/19/511079119.db2.gz YRDSEEUDFXUJRJ-MEBBXXQBSA-N -1 3 356.378 2.698 20 10 FFCDHM Cn1ccnc1[C@H](NCc1cc(Br)ccc1[O-])C(C)(C)CO ZINC000295079776 511274216 /nfs/dbraw/zinc/27/42/16/511274216.db2.gz QDZSEVWNAXESML-AWEZNQCLSA-N -1 3 368.275 2.738 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CCN(C)C3=O)CC2)c1[O-] ZINC000365709264 511612894 /nfs/dbraw/zinc/61/28/94/511612894.db2.gz CIULRMVNLOQJAU-UHFFFAOYSA-N -1 3 350.846 2.693 20 10 FFCDHM Cc1cc(Br)cc([C@H](C)N[C@H](C(N)=O)c2ccccn2)c1[O-] ZINC000296633372 511829372 /nfs/dbraw/zinc/82/93/72/511829372.db2.gz BLTLWVRWYYWBHR-HZMBPMFUSA-N -1 3 364.243 2.735 20 10 FFCDHM CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274760505 511933497 /nfs/dbraw/zinc/93/34/97/511933497.db2.gz JZLGBJWKBALNIA-KGLIPLIRSA-N -1 3 354.248 2.663 20 10 FFCDHM CCc1nc(C)c(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])o1 ZINC000293360711 511936183 /nfs/dbraw/zinc/93/61/83/511936183.db2.gz CRHBSHARLXFOHN-UHFFFAOYSA-N -1 3 366.801 2.720 20 10 FFCDHM CCOC(=O)[C@@H](F)C1CN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000293793311 512085807 /nfs/dbraw/zinc/08/58/07/512085807.db2.gz CQGWQFNQUUXHAS-ZDUSSCGKSA-N -1 3 360.223 2.796 20 10 FFCDHM Cc1ccc(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c([O-])c1O ZINC000371664166 512516985 /nfs/dbraw/zinc/51/69/85/512516985.db2.gz GPGDICIKGFUOSX-AWEZNQCLSA-N -1 3 368.393 2.978 20 10 FFCDHM C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000367682945 512614197 /nfs/dbraw/zinc/61/41/97/512614197.db2.gz JAUIWYZBNJKYPJ-JKIFEVAISA-N -1 3 366.889 2.941 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC3(CCOC3=O)CC2)c1[O-] ZINC000378443375 512761814 /nfs/dbraw/zinc/76/18/14/512761814.db2.gz MXKMZJGUFANGIX-UHFFFAOYSA-N -1 3 354.244 2.992 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(=O)[nH]1 ZINC000377066244 513105937 /nfs/dbraw/zinc/10/59/37/513105937.db2.gz HGYLJNNBMODOIE-LBPRGKRZSA-N -1 3 367.858 2.602 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000529678966 517279706 /nfs/dbraw/zinc/27/97/06/517279706.db2.gz ZEMQHYFSJSARRO-KGLIPLIRSA-N -1 3 374.300 2.615 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC[C@H]1CCCOC1 ZINC000530197718 517620660 /nfs/dbraw/zinc/62/06/60/517620660.db2.gz SZXVLJCQAQAOLR-GFCCVEGCSA-N -1 3 352.818 2.627 20 10 FFCDHM CSCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821970172 599628264 /nfs/dbraw/zinc/62/82/64/599628264.db2.gz KDKSKATUXKSITH-UHFFFAOYSA-N -1 3 357.439 2.794 20 10 FFCDHM Fc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826376718 607649048 /nfs/dbraw/zinc/64/90/48/607649048.db2.gz OVZMKOVDOSEZAH-UHFFFAOYSA-N -1 3 363.809 2.541 20 10 FFCDHM Fc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826376718 607649051 /nfs/dbraw/zinc/64/90/51/607649051.db2.gz OVZMKOVDOSEZAH-UHFFFAOYSA-N -1 3 363.809 2.541 20 10 FFCDHM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480396 604316110 /nfs/dbraw/zinc/31/61/10/604316110.db2.gz XINYOODOOQRCDO-CHWSQXEVSA-N -1 3 353.850 2.580 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1O ZINC000833897908 605993029 /nfs/dbraw/zinc/99/30/29/605993029.db2.gz PGAZCMDTQOEEND-MFKMUULPSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000833897908 605993032 /nfs/dbraw/zinc/99/30/32/605993032.db2.gz PGAZCMDTQOEEND-MFKMUULPSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000833897908 605993034 /nfs/dbraw/zinc/99/30/34/605993034.db2.gz PGAZCMDTQOEEND-MFKMUULPSA-N -1 3 357.248 2.941 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821838881 606348007 /nfs/dbraw/zinc/34/80/07/606348007.db2.gz QXYACUUURQNWGJ-SECBINFHSA-N -1 3 372.360 2.603 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821838881 606348008 /nfs/dbraw/zinc/34/80/08/606348008.db2.gz QXYACUUURQNWGJ-SECBINFHSA-N -1 3 372.360 2.603 20 10 FFCDHM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812258 608003986 /nfs/dbraw/zinc/00/39/86/608003986.db2.gz JJXQYRPWDFUIHE-XVNBXDOJSA-N -1 3 358.764 2.730 20 10 FFCDHM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812258 608003987 /nfs/dbraw/zinc/00/39/87/608003987.db2.gz JJXQYRPWDFUIHE-XVNBXDOJSA-N -1 3 358.764 2.730 20 10 FFCDHM COc1cc(N(C)Cc2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000826180373 609174285 /nfs/dbraw/zinc/17/42/85/609174285.db2.gz DYRLAFMTWHGOAJ-UHFFFAOYSA-N -1 3 361.427 2.590 20 10 FFCDHM Cc1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1-c1nnn[n-]1 ZINC000826309973 609527171 /nfs/dbraw/zinc/52/71/71/609527171.db2.gz HYQQECOQIMNSDR-UHFFFAOYSA-N -1 3 358.409 2.740 20 10 FFCDHM Cc1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1-c1nn[n-]n1 ZINC000826309973 609527172 /nfs/dbraw/zinc/52/71/72/609527172.db2.gz HYQQECOQIMNSDR-UHFFFAOYSA-N -1 3 358.409 2.740 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(F)c1F ZINC000153841677 728789759 /nfs/dbraw/zinc/78/97/59/728789759.db2.gz XHIXDYXEEZKNDO-VIFPVBQESA-N -1 3 370.377 2.533 20 10 FFCDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000161180052 728929740 /nfs/dbraw/zinc/92/97/40/728929740.db2.gz CWWKFDDSFIVAPQ-MRVPVSSYSA-N -1 3 361.341 2.858 20 10 FFCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Br ZINC000044286080 727984681 /nfs/dbraw/zinc/98/46/81/727984681.db2.gz ZQBADWROWBIEPW-UHFFFAOYSA-N -1 3 358.213 2.964 20 10 FFCDHM O=S(=O)([N-]Cc1ccccc1O)c1ccc(Br)cc1F ZINC000228425677 729549461 /nfs/dbraw/zinc/54/94/61/729549461.db2.gz BLWFYTFDQGHROY-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872753229 731826870 /nfs/dbraw/zinc/82/68/70/731826870.db2.gz JYFVCGZKNNKNBC-INIZCTEOSA-N -1 3 353.344 2.583 20 10 FFCDHM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872753229 731826874 /nfs/dbraw/zinc/82/68/74/731826874.db2.gz JYFVCGZKNNKNBC-INIZCTEOSA-N -1 3 353.344 2.583 20 10 FFCDHM CC1(C)OC[C@@H]([C@@H]2CN(Cc3c([O-])cccc3Br)CCO2)O1 ZINC000877785162 732430516 /nfs/dbraw/zinc/43/05/16/732430516.db2.gz WXGWIVQNTVXGRE-GJZGRUSLSA-N -1 3 372.259 2.507 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000781896712 738668851 /nfs/dbraw/zinc/66/88/51/738668851.db2.gz MMPVRCNKJZMLFE-CYBMUJFWSA-N -1 3 374.300 2.615 20 10 FFCDHM C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886607098 733808512 /nfs/dbraw/zinc/80/85/12/733808512.db2.gz LDJLWIWESHHBET-CQSZACIVSA-N -1 3 351.443 2.839 20 10 FFCDHM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(OCC(F)F)cc1 ZINC000783798152 738837913 /nfs/dbraw/zinc/83/79/13/738837913.db2.gz AZWZVSMQHWCSAW-UHFFFAOYSA-N -1 3 357.334 2.860 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000783849197 738841619 /nfs/dbraw/zinc/84/16/19/738841619.db2.gz QJMUXTHMIFXWIE-VXGBXAGGSA-N -1 3 350.415 2.664 20 10 FFCDHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000734558767 734902973 /nfs/dbraw/zinc/90/29/73/734902973.db2.gz WVLXZWPFHPNADB-OLZOCXBDSA-N -1 3 354.472 2.710 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928359924 738861907 /nfs/dbraw/zinc/86/19/07/738861907.db2.gz XRTUGJSIQRJIAY-NSHDSACASA-N -1 3 364.199 2.628 20 10 FFCDHM C[C@@](CO)(NCc1cc(Br)cc(F)c1[O-])c1cccc(O)c1 ZINC000895390315 734999586 /nfs/dbraw/zinc/99/95/86/734999586.db2.gz WPXLDSHWSNQDJR-INIZCTEOSA-N -1 3 370.218 2.997 20 10 FFCDHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000757647890 736415517 /nfs/dbraw/zinc/41/55/17/736415517.db2.gz RHHYLKPIYPRKOG-SECBINFHSA-N -1 3 368.377 2.615 20 10 FFCDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1Cl ZINC000758169379 736458360 /nfs/dbraw/zinc/45/83/60/736458360.db2.gz RFVJRRMMNHPCIH-UHFFFAOYSA-N -1 3 359.762 2.772 20 10 FFCDHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccccc1O ZINC000766914475 737274516 /nfs/dbraw/zinc/27/45/16/737274516.db2.gz RNHKQTSXGDEQIG-UHFFFAOYSA-N -1 3 351.200 2.860 20 10 FFCDHM CCc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000773408063 737903667 /nfs/dbraw/zinc/90/36/67/737903667.db2.gz OMVOKYIFWCACLN-CQSZACIVSA-N -1 3 363.845 2.990 20 10 FFCDHM O=C(NCc1cc2c(c(Br)c1)OCO2)c1cccc(O)c1[O-] ZINC000776342043 738184249 /nfs/dbraw/zinc/18/42/49/738184249.db2.gz XCNJTBRAOKOJMA-UHFFFAOYSA-N -1 3 366.167 2.519 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928709280 738898298 /nfs/dbraw/zinc/89/82/98/738898298.db2.gz CLTVFVFVNAOBJT-GFCCVEGCSA-N -1 3 350.390 2.761 20 10 FFCDHM O=C(NCCc1cc(Br)ccc1F)c1cccc(O)c1[O-] ZINC000790570260 739470444 /nfs/dbraw/zinc/47/04/44/739470444.db2.gz ABFCYOGUTUBHBF-UHFFFAOYSA-N -1 3 354.175 2.972 20 10 FFCDHM O=S1(=O)CCc2cc(CNCc3c([O-])ccc(Cl)c3F)ccc21 ZINC000790976458 739520457 /nfs/dbraw/zinc/52/04/57/739520457.db2.gz DDTNMNXISBOSBW-UHFFFAOYSA-N -1 3 355.818 2.804 20 10 FFCDHM CNS(=O)(=O)c1cccc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC000793608421 739799138 /nfs/dbraw/zinc/79/91/38/739799138.db2.gz ICNGZUSVDORTHB-UHFFFAOYSA-N -1 3 366.870 2.512 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Cl ZINC000824555741 743103999 /nfs/dbraw/zinc/10/39/99/743103999.db2.gz IMBNMNCVMBENFL-UHFFFAOYSA-N -1 3 362.817 2.979 20 10 FFCDHM CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000824914316 743177675 /nfs/dbraw/zinc/17/76/75/743177675.db2.gz PEYKGOGOZGBOGE-CYBMUJFWSA-N -1 3 362.289 2.554 20 10 FFCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000825748425 743321622 /nfs/dbraw/zinc/32/16/22/743321622.db2.gz AJSZJYBUBLNYGA-GDBMZVCRSA-N -1 3 356.260 2.925 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000298172758 971726252 /nfs/dbraw/zinc/72/62/52/971726252.db2.gz CZKMGVLHONBRPL-LJQANCHMSA-N -1 3 362.426 2.713 20 10 FFCDHM O=C1N(CC2CCCC2)C[C@@]2(F)CN(Cc3cc(F)ccc3[O-])C[C@@]12F ZINC001276065004 1013393003 /nfs/dbraw/zinc/39/30/03/1013393003.db2.gz YXOVPMGNOMBBHW-RBUKOAKNSA-N -1 3 368.399 2.796 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCOc2cccc(Br)c2C1 ZINC001143547075 977632330 /nfs/dbraw/zinc/63/23/30/977632330.db2.gz DUDSORXLTPZXML-UHFFFAOYSA-N -1 3 364.195 2.895 20 10 FFCDHM O=C(NCc1ccc(C(=O)N2CCCC2)cc1)NCc1c([O-])cccc1F ZINC000913992056 987091752 /nfs/dbraw/zinc/09/17/52/987091752.db2.gz NJKKKELWGZIYGI-UHFFFAOYSA-N -1 3 371.412 2.767 20 10 FFCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000921325680 991049584 /nfs/dbraw/zinc/04/95/84/991049584.db2.gz QQIQHJVNFQECHR-CQSZACIVSA-N -1 3 361.421 2.800 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179900873 991368985 /nfs/dbraw/zinc/36/89/85/991368985.db2.gz NAGZDEDVQZFEKC-UHFFFAOYSA-N -1 3 374.441 2.961 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC[C@@]2(CCCO2)C1 ZINC001237778299 992710309 /nfs/dbraw/zinc/71/03/09/992710309.db2.gz WGUVVIZBSNUKGW-AWEZNQCLSA-N -1 3 359.207 2.752 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211277 994264426 /nfs/dbraw/zinc/26/44/26/994264426.db2.gz XACNJLKXROULIN-PMUMKWKESA-N -1 3 368.433 2.931 20 10 FFCDHM COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599453157 998141244 /nfs/dbraw/zinc/14/12/44/998141244.db2.gz CCFDEDFPTYHTEU-LBPRGKRZSA-N -1 3 361.394 2.837 20 10 FFCDHM CN(C)c1ccc(CN(C(=O)c2cc3c(cc2[O-])OCO3)C2CC2)cc1 ZINC000769671603 1000574707 /nfs/dbraw/zinc/57/47/07/1000574707.db2.gz KXGKKUZSGZFQTE-UHFFFAOYSA-N -1 3 354.406 2.992 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c([O-])c1O ZINC000770490174 1000814497 /nfs/dbraw/zinc/81/44/97/1000814497.db2.gz FSGPTXVZOPDPDV-UHFFFAOYSA-N -1 3 354.362 2.620 20 10 FFCDHM COc1ccc(Br)cc1CCNC(=O)c1cccc(O)c1[O-] ZINC001148219938 1001072170 /nfs/dbraw/zinc/07/21/70/1001072170.db2.gz HBIFKGRBSSVFOI-UHFFFAOYSA-N -1 3 366.211 2.841 20 10 FFCDHM O=C(Nc1ccc(Br)c2c[nH]nc21)c1cc(O)c([O-])c(O)c1 ZINC001148586697 1001175685 /nfs/dbraw/zinc/17/56/85/1001175685.db2.gz URTPWNFDGLGZPY-UHFFFAOYSA-N -1 3 364.155 2.695 20 10 FFCDHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)[NH2+]Cc2cccc(F)c2[O-])n1 ZINC001182653188 1002001720 /nfs/dbraw/zinc/00/17/20/1002001720.db2.gz GOHADPQBCSQSLC-CYBMUJFWSA-N -1 3 350.394 2.703 20 10 FFCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OC[C@@H]2CCOC2)c1 ZINC000790874607 1002505446 /nfs/dbraw/zinc/50/54/46/1002505446.db2.gz SDZABUVVQVJZSW-CQSZACIVSA-N -1 3 357.406 2.752 20 10 FFCDHM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790926285 1002513467 /nfs/dbraw/zinc/51/34/67/1002513467.db2.gz KKKZBNXMIGFTCW-CYBMUJFWSA-N -1 3 364.442 2.959 20 10 FFCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790904002 1002515715 /nfs/dbraw/zinc/51/57/15/1002515715.db2.gz FFZURQGOHFNCFN-OCCSQVGLSA-N -1 3 364.442 2.863 20 10 FFCDHM COCC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774935531 1003075610 /nfs/dbraw/zinc/07/56/10/1003075610.db2.gz OUHRHDNUXKTZSN-UHFFFAOYSA-N -1 3 361.354 2.506 20 10 FFCDHM COc1c([O-])c(CNc2cnn(Cc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000775048609 1003413091 /nfs/dbraw/zinc/41/30/91/1003413091.db2.gz LMSWAZDPSFUPRQ-UHFFFAOYSA-N -1 3 355.354 2.561 20 10 FFCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000776345148 1005380691 /nfs/dbraw/zinc/38/06/91/1005380691.db2.gz NTBBLMVRGSGIAC-CHWSQXEVSA-N -1 3 355.394 2.756 20 10 FFCDHM O=C(NCc1cccc(COC2CCOCC2)c1)c1cccc(O)c1[O-] ZINC000776654167 1006358868 /nfs/dbraw/zinc/35/88/68/1006358868.db2.gz OQXDFXCZCMHAQN-UHFFFAOYSA-N -1 3 357.406 2.723 20 10 FFCDHM CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000855633081 1007471410 /nfs/dbraw/zinc/47/14/10/1007471410.db2.gz VXBCQKNTWOFMFD-UHFFFAOYSA-N -1 3 350.415 2.665 20 10 FFCDHM COc1ccc(CN2CC[C@@H](N[C@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886547721 1008730891 /nfs/dbraw/zinc/73/08/91/1008730891.db2.gz QMJOBQWEJZDMRE-CXAGYDPISA-N -1 3 358.413 2.992 20 10 FFCDHM COC(=O)COc1c(C)cc(C(=O)NCc2c([O-])cccc2F)cc1C ZINC001178412828 1008985716 /nfs/dbraw/zinc/98/57/16/1008985716.db2.gz HEHGCLWPUNSNMZ-UHFFFAOYSA-N -1 3 361.369 2.630 20 10 FFCDHM CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000823623156 1009144611 /nfs/dbraw/zinc/14/46/11/1009144611.db2.gz BTOWRSVWQOZVIE-LJQANCHMSA-N -1 3 370.424 2.797 20 10 FFCDHM O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)c1cccc(O)c1[O-] ZINC001171607648 1011400502 /nfs/dbraw/zinc/40/05/02/1011400502.db2.gz AHMYNRDRZGLXNH-NWANDNLSSA-N -1 3 360.207 2.928 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc2n(n1)CCC2 ZINC000827095186 1017103964 /nfs/dbraw/zinc/10/39/64/1017103964.db2.gz BUUJJFUIVLSYCM-HNNXBMFYSA-N -1 3 374.872 2.583 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000928704502 1019080682 /nfs/dbraw/zinc/08/06/82/1019080682.db2.gz AFXJRRRVBPIHPS-UHFFFAOYSA-N -1 3 356.397 2.700 20 10 FFCDHM CCCC[N@H+](CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000801596028 1019157245 /nfs/dbraw/zinc/15/72/45/1019157245.db2.gz ZNNOCDRICZVWQY-UHFFFAOYSA-N -1 3 370.449 2.960 20 10 FFCDHM CCCC[N@@H+](CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000801596028 1019157253 /nfs/dbraw/zinc/15/72/53/1019157253.db2.gz ZNNOCDRICZVWQY-UHFFFAOYSA-N -1 3 370.449 2.960 20 10 FFCDHM COc1cccc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c1OC ZINC000779002746 1022630668 /nfs/dbraw/zinc/63/06/68/1022630668.db2.gz OFKGZJBPVSFFMU-UHFFFAOYSA-N -1 3 374.412 2.507 20 10 FFCDHM COc1c(OC[C@H]2C[C@@H](O)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218434479 1033154800 /nfs/dbraw/zinc/15/48/00/1033154800.db2.gz KASVBJALLHTRER-TXEJJXNPSA-N -1 3 368.385 2.634 20 10 FFCDHM C[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)CCO1 ZINC001123438996 1023801963 /nfs/dbraw/zinc/80/19/63/1023801963.db2.gz DEMBPWXDSXRSOR-NSHDSACASA-N -1 3 371.466 2.896 20 10 FFCDHM CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(C)c1 ZINC000840950713 1029941001 /nfs/dbraw/zinc/94/10/01/1029941001.db2.gz RFQAUVFIRURZDU-UHFFFAOYSA-N -1 3 359.382 2.979 20 10 FFCDHM Cc1cc([O-])c(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c(Cl)c1 ZINC000840947107 1029942272 /nfs/dbraw/zinc/94/22/72/1029942272.db2.gz ZZECTUHWBKVYQB-LJQANCHMSA-N -1 3 373.884 2.698 20 10 FFCDHM O=C(C[C@H]1[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001142517574 1030566395 /nfs/dbraw/zinc/56/63/95/1030566395.db2.gz SCETYHHYPQGGST-QDMKHBRRSA-N -1 3 362.376 2.648 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203648278 1030806222 /nfs/dbraw/zinc/80/62/22/1030806222.db2.gz HYDPLDRPMHNELO-KGLIPLIRSA-N -1 3 356.850 2.506 20 10 FFCDHM COC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(Cl)ccc1[O-] ZINC001203664419 1030815116 /nfs/dbraw/zinc/81/51/16/1030815116.db2.gz DZLHJUHJWKUWPS-GOSISDBHSA-N -1 3 374.868 2.905 20 10 FFCDHM O=C(NCc1ccc(-n2ccnc2)c(F)c1)NCc1c([O-])cccc1F ZINC001221424906 1034742343 /nfs/dbraw/zinc/74/23/43/1034742343.db2.gz OKDCBNCTCWRSQN-UHFFFAOYSA-N -1 3 358.348 2.856 20 10 FFCDHM O=C(N1CCCC1)C12CC(C1)CN2Cc1c([O-])cccc1Br ZINC001140099561 1035341673 /nfs/dbraw/zinc/34/16/73/1035341673.db2.gz KJQOYIKMBJLFCV-UHFFFAOYSA-N -1 3 365.271 2.742 20 10 FFCDHM CN(C(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1)c1ccccc1 ZINC001140342196 1035445110 /nfs/dbraw/zinc/44/51/10/1035445110.db2.gz WWHAUTWMIDHEDF-UHFFFAOYSA-N -1 3 373.884 2.826 20 10 FFCDHM CCOC(=O)c1cc2n(n1)CCCN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232257309 1035528950 /nfs/dbraw/zinc/52/89/50/1035528950.db2.gz CFZJAGVQCNTJEZ-UHFFFAOYSA-N -1 3 365.817 2.530 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2c1cnn2C ZINC001232257354 1035529543 /nfs/dbraw/zinc/52/95/43/1035529543.db2.gz CPIVUNXZZKHEJJ-LBPRGKRZSA-N -1 3 351.834 2.621 20 10 FFCDHM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CCc2nccn2C1 ZINC001227577715 1035614632 /nfs/dbraw/zinc/61/46/32/1035614632.db2.gz MXIZTCCEYFEWSJ-LBPRGKRZSA-N -1 3 360.369 2.758 20 10 FFCDHM CCOCCN1CC[C@]2(CCCN2Cc2cccc(Cl)c2[O-])C1=O ZINC001277232445 1035679947 /nfs/dbraw/zinc/67/99/47/1035679947.db2.gz QIDGVERCKFFOAN-GOSISDBHSA-N -1 3 352.862 2.649 20 10 FFCDHM CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1cccc(Cl)c1[O-])CC2 ZINC001277232527 1035682690 /nfs/dbraw/zinc/68/26/90/1035682690.db2.gz SNHPJSQJOILWMP-DOMZBBRYSA-N -1 3 364.873 2.741 20 10 FFCDHM CC(C)C(=O)N1CC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227940724 1035821760 /nfs/dbraw/zinc/82/17/60/1035821760.db2.gz NXZXVYUWWAOQMK-UHFFFAOYSA-N -1 3 355.390 2.574 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@](O)(C(F)(F)F)C2)cc1Br ZINC001233134853 1036383528 /nfs/dbraw/zinc/38/35/28/1036383528.db2.gz GGGXOSLQUPIDEH-GFCCVEGCSA-N -1 3 370.165 2.662 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](O)[C@H](C)C2)c1 ZINC001233306465 1036513095 /nfs/dbraw/zinc/51/30/95/1036513095.db2.gz REFDYFHXZXSKPJ-YGRLFVJLSA-N -1 3 372.259 2.534 20 10 FFCDHM COc1ccnc(O[C@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336686 1036543709 /nfs/dbraw/zinc/54/37/09/1036543709.db2.gz VSMMWAJNEQARKT-NSHDSACASA-N -1 3 351.353 2.512 20 10 FFCDHM COc1cc(C)nc(OC2CCN(Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233336548 1036544505 /nfs/dbraw/zinc/54/45/05/1036544505.db2.gz PNDPQKVXMIWCKW-UHFFFAOYSA-N -1 3 365.380 2.821 20 10 FFCDHM CC(=O)N1CCC[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3[O-])CCO2)C1 ZINC001233453539 1036633269 /nfs/dbraw/zinc/63/32/69/1036633269.db2.gz KAEGMIHXJYLBFD-QGZVFWFLSA-N -1 3 372.387 2.624 20 10 FFCDHM CCOC(=O)c1c2c(nn1C)CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233455936 1036636246 /nfs/dbraw/zinc/63/62/46/1036636246.db2.gz FJSRACDCTGLZJA-UHFFFAOYSA-N -1 3 369.343 2.837 20 10 FFCDHM O=C1CCC2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)N1 ZINC001235073460 1037344387 /nfs/dbraw/zinc/34/43/87/1037344387.db2.gz BDDGQWCZTOBKFQ-UHFFFAOYSA-N -1 3 357.223 2.538 20 10 FFCDHM COc1ccc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)nc1 ZINC001231453826 1037594351 /nfs/dbraw/zinc/59/43/51/1037594351.db2.gz PZSHYQPJUBPBJH-UHFFFAOYSA-N -1 3 358.394 2.537 20 10 FFCDHM CCOC(=O)c1ncn2c1CN(Cc1ccc3ccccc3c1[O-])CC2 ZINC001231879896 1037974040 /nfs/dbraw/zinc/97/40/40/1037974040.db2.gz VBWKBUDVJHERPH-UHFFFAOYSA-N -1 3 351.406 2.934 20 10 FFCDHM [O-]c1c(Cl)cccc1CN1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001231910435 1038008128 /nfs/dbraw/zinc/00/81/28/1038008128.db2.gz PRAYSWWIOKOCCX-CGTJXYLNSA-N -1 3 367.873 2.688 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(Cl)c2Cl)N1C1COC1 ZINC001277996414 1038186727 /nfs/dbraw/zinc/18/67/27/1038186727.db2.gz XCHPWZKJBYPKKS-ZIAGYGMSSA-N -1 3 371.264 2.663 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1 ZINC001236807543 1038281257 /nfs/dbraw/zinc/28/12/57/1038281257.db2.gz HJPGYWNLRXDVLL-UHFFFAOYSA-N -1 3 369.252 2.820 20 10 FFCDHM Cc1cc([O-])c(CN2CCN[C@H](C(F)(F)F)C2)cc1Br ZINC001236997347 1038403141 /nfs/dbraw/zinc/40/31/41/1038403141.db2.gz UITLZSXGGQSJQL-LBPRGKRZSA-N -1 3 353.182 2.799 20 10 FFCDHM CCOC(=O)CN(Cc1c([O-])cc(OC)cc1Br)C1CC1 ZINC001237064151 1038429704 /nfs/dbraw/zinc/42/97/04/1038429704.db2.gz DILZPRFWALGQTD-UHFFFAOYSA-N -1 3 358.232 2.691 20 10 FFCDHM CCC(=O)N[C@@H]1CCCN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237063859 1038430251 /nfs/dbraw/zinc/43/02/51/1038430251.db2.gz AGYMSUJVJJBSKC-LLVKDONJSA-N -1 3 371.275 2.654 20 10 FFCDHM COc1cc([O-])c(CN2CCCC3(C2)OCCO3)c(Br)c1 ZINC001237071634 1038435676 /nfs/dbraw/zinc/43/56/76/1038435676.db2.gz VDCLMYMNCGMSMZ-UHFFFAOYSA-N -1 3 358.232 2.502 20 10 FFCDHM CC(C)N1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251429207 1039125403 /nfs/dbraw/zinc/12/54/03/1039125403.db2.gz KWMDLELJXRAJLT-UHFFFAOYSA-N -1 3 367.298 2.850 20 10 FFCDHM CC[C@@H](C)S(=O)(=O)Nc1ccc([O-])c(I)c1 ZINC001260738186 1040761186 /nfs/dbraw/zinc/76/11/86/1040761186.db2.gz JNEYCAFLCBCVTF-SSDOTTSWSA-N -1 3 355.197 2.537 20 10 FFCDHM Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1[O-] ZINC001279197342 1042942071 /nfs/dbraw/zinc/94/20/71/1042942071.db2.gz RSSSYJUKCOALFK-GASCZTMLSA-N -1 3 360.389 2.627 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCN(C2CCC2)CC1 ZINC001237775317 1043351799 /nfs/dbraw/zinc/35/17/99/1043351799.db2.gz FFWOKTTYDSAJAD-UHFFFAOYSA-N -1 3 372.250 2.667 20 10 FFCDHM COCc1cc(Cl)cc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001309879323 1043569153 /nfs/dbraw/zinc/56/91/53/1043569153.db2.gz PANWZGNIHQVRFL-UHFFFAOYSA-N -1 3 359.806 2.810 20 10 FFCDHM O=C([O-])Cc1ccccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000756299542 1043570202 /nfs/dbraw/zinc/57/02/02/1043570202.db2.gz HVDSSZBFPZWTRS-UHFFFAOYSA-N -1 3 358.413 2.579 20 10 FFCDHM CC(C)(C)NC(=O)[C@H]1CCC2(CN(Cc3cc(Cl)ccc3[O-])C2)O1 ZINC001279981955 1044031820 /nfs/dbraw/zinc/03/18/20/1044031820.db2.gz JXSIGBANKBDHKA-OAHLLOKOSA-N -1 3 352.862 2.694 20 10 FFCDHM CCOC[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001340094206 1050498182 /nfs/dbraw/zinc/49/81/82/1050498182.db2.gz DFYLXZYLRSPRAH-LLVKDONJSA-N -1 3 359.455 2.660 20 10 FFCDHM C[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@H](C)O1 ZINC001340096060 1050499222 /nfs/dbraw/zinc/49/92/22/1050499222.db2.gz VKXVAKUFOAODLU-MNOVXSKESA-N -1 3 359.455 2.801 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001340213569 1050620708 /nfs/dbraw/zinc/62/07/08/1050620708.db2.gz CHPXOONRFQRWJR-YPMHNXCESA-N -1 3 371.466 2.896 20 10 FFCDHM Cc1c(Br)c[nH]c(=O)c1C(=O)NCc1c([O-])cccc1F ZINC001303875225 1051463811 /nfs/dbraw/zinc/46/38/11/1051463811.db2.gz CZCSMLWXDMQBCH-UHFFFAOYSA-N -1 3 355.163 2.633 20 10 FFCDHM CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001337065045 1054452972 /nfs/dbraw/zinc/45/29/72/1054452972.db2.gz URYDWIZPMAXBAG-LBPRGKRZSA-N -1 3 360.385 2.964 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC001338372611 1055456569 /nfs/dbraw/zinc/45/65/69/1055456569.db2.gz QJOUXKHAJBNCBF-UHFFFAOYSA-N -1 3 358.369 2.575 20 10 FFCDHM O=C(NCc1cc(OCC(F)F)ccn1)NCc1c([O-])cccc1F ZINC001354170685 1058680480 /nfs/dbraw/zinc/68/04/80/1058680480.db2.gz LWFPYWGRXWGHMS-UHFFFAOYSA-N -1 3 355.316 2.570 20 10 FFCDHM CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001517000025 1060295879 /nfs/dbraw/zinc/29/58/79/1060295879.db2.gz FMGKMXJESNDEIT-UHFFFAOYSA-N -1 3 359.401 2.997 20 10 FFCDHM COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001462421545 1061616875 /nfs/dbraw/zinc/61/68/75/1061616875.db2.gz OXZKSPMZHIKYTD-VHSXEESVSA-N -1 3 353.287 2.844 20 10 FFCDHM O=C(/C=C\c1ccccc1)NCCCNC(=O)NCc1c([O-])cccc1F ZINC001478522738 1062040746 /nfs/dbraw/zinc/04/07/46/1062040746.db2.gz PPNPNKWIXZSVMD-KHPPLWFESA-N -1 3 371.412 2.550 20 10 FFCDHM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474510530 1065540868 /nfs/dbraw/zinc/54/08/68/1065540868.db2.gz KPXQGPYAZZUERB-ZIAGYGMSSA-N -1 3 370.396 2.540 20 10 FFCDHM C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC001556730233 1075768534 /nfs/dbraw/zinc/76/85/34/1075768534.db2.gz JCARRLFWGXVTQE-LRDDRELGSA-N -1 3 372.396 2.719 20 10 FFCDHM C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589836940 1080787879 /nfs/dbraw/zinc/78/78/79/1080787879.db2.gz RAGXAOLYIRHOMB-OLZOCXBDSA-N -1 3 353.426 2.950 20 10 FFCDHM C[C@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589938577 1080883554 /nfs/dbraw/zinc/88/35/54/1080883554.db2.gz LGIOFDDGSLDWCE-JTQLQIEISA-N -1 3 357.443 2.877 20 10 FFCDHM C[C@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589938577 1080883564 /nfs/dbraw/zinc/88/35/64/1080883564.db2.gz LGIOFDDGSLDWCE-JTQLQIEISA-N -1 3 357.443 2.877 20 10 FFCDHM C[C@H]([NH2+]CCCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960884 1080904436 /nfs/dbraw/zinc/90/44/36/1080904436.db2.gz JREWKIGSMNIKPX-AWEZNQCLSA-N -1 3 353.426 2.830 20 10 FFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000092095225 508042271 /nfs/dbraw/zinc/04/22/71/508042271.db2.gz GJGNZRHSUNOUAN-IIAWOOMASA-N -1 3 356.260 2.923 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000131638891 508956507 /nfs/dbraw/zinc/95/65/07/508956507.db2.gz YUBIBMFGTOLQHU-CQSZACIVSA-N -1 3 351.418 2.751 20 10 FFCDHM CC(C)C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000161054208 509065112 /nfs/dbraw/zinc/06/51/12/509065112.db2.gz VQZVFQBOXZXLKD-CYBMUJFWSA-N -1 3 354.472 2.662 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1csnc1C ZINC000182340798 509184897 /nfs/dbraw/zinc/18/48/97/509184897.db2.gz KOEQQMPJWCLTQG-UHFFFAOYSA-N -1 3 354.815 2.626 20 10 FFCDHM CCCn1c(C)nnc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000179402513 509423186 /nfs/dbraw/zinc/42/31/86/509423186.db2.gz PFAQSFWMFICPNW-UHFFFAOYSA-N -1 3 366.849 2.531 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COCCCOC ZINC000181306896 510348336 /nfs/dbraw/zinc/34/83/36/510348336.db2.gz SSHXKYATQHPPMG-UHFFFAOYSA-N -1 3 360.248 2.556 20 10 FFCDHM C[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1[O-] ZINC000187920128 510501044 /nfs/dbraw/zinc/50/10/44/510501044.db2.gz IQNRGSVCCCDDAL-NSHDSACASA-N -1 3 367.371 2.892 20 10 FFCDHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)s1 ZINC000182261150 510837148 /nfs/dbraw/zinc/83/71/48/510837148.db2.gz KHTYUMWXGDRMMH-UHFFFAOYSA-N -1 3 374.462 2.811 20 10 FFCDHM Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])nc(N2CCCC2)n1 ZINC000293863230 510878357 /nfs/dbraw/zinc/87/83/57/510878357.db2.gz XWVHJAFDXWOGMZ-ZDUSSCGKSA-N -1 3 357.414 2.850 20 10 FFCDHM C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863358 510948536 /nfs/dbraw/zinc/94/85/36/510948536.db2.gz CXPAHJXESJQDLV-RTHLEPHNSA-N -1 3 365.302 2.505 20 10 FFCDHM C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863358 510948542 /nfs/dbraw/zinc/94/85/42/510948542.db2.gz CXPAHJXESJQDLV-RTHLEPHNSA-N -1 3 365.302 2.505 20 10 FFCDHM CCCOc1ccc(CN2CCN(C(=O)c3ccccn3)CC2)c([O-])c1 ZINC000271070678 511074859 /nfs/dbraw/zinc/07/48/59/511074859.db2.gz MVAWTRBZSZDAAC-UHFFFAOYSA-N -1 3 355.438 2.534 20 10 FFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000289875080 511118894 /nfs/dbraw/zinc/11/88/94/511118894.db2.gz ROUZNPSUCMEFNK-GXFFZTMASA-N -1 3 362.289 2.552 20 10 FFCDHM COc1ncc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Cl ZINC000294730645 511158487 /nfs/dbraw/zinc/15/84/87/511158487.db2.gz DGSQDPLXXASCOZ-UHFFFAOYSA-N -1 3 353.762 2.656 20 10 FFCDHM Cc1cc(Br)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000279740300 511196305 /nfs/dbraw/zinc/19/63/05/511196305.db2.gz XGLLXFQJVQTQMQ-LRDDRELGSA-N -1 3 356.260 2.843 20 10 FFCDHM COc1cc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc(OC)c1OC ZINC000272810940 511508062 /nfs/dbraw/zinc/50/80/62/511508062.db2.gz NJWPOGXISQQEIJ-LLVKDONJSA-N -1 3 361.394 2.923 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293261985 511899458 /nfs/dbraw/zinc/89/94/58/511899458.db2.gz BZPDFCVEDZFTOU-CQSZACIVSA-N -1 3 370.453 2.728 20 10 FFCDHM C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000367682946 512613883 /nfs/dbraw/zinc/61/38/83/512613883.db2.gz JAUIWYZBNJKYPJ-KEYYUXOJSA-N -1 3 366.889 2.941 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCOC1 ZINC000372043752 512691477 /nfs/dbraw/zinc/69/14/77/512691477.db2.gz YQDYKDGZCKUNCA-XJKSGUPXSA-N -1 3 352.862 2.553 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737271358 599064813 /nfs/dbraw/zinc/06/48/13/599064813.db2.gz TYWSXSYUMVOTJA-UHFFFAOYSA-N -1 3 353.386 2.761 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737271358 599064815 /nfs/dbraw/zinc/06/48/15/599064815.db2.gz TYWSXSYUMVOTJA-UHFFFAOYSA-N -1 3 353.386 2.761 20 10 FFCDHM COc1cc(Br)cc(CNCc2ccc(C(=O)[O-])o2)c1O ZINC000737846189 600523633 /nfs/dbraw/zinc/52/36/33/600523633.db2.gz URORBIBLCKCEFP-UHFFFAOYSA-N -1 3 356.172 2.744 20 10 FFCDHM CC(C)(CNC(=O)[O-])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738751991 602317939 /nfs/dbraw/zinc/31/79/39/602317939.db2.gz HEYWKHMBIBJPNB-UHFFFAOYSA-N -1 3 350.419 2.721 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896947 605655132 /nfs/dbraw/zinc/65/51/32/605655132.db2.gz BRYMMHIUTKPBRL-WDEREUQCSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896947 605655134 /nfs/dbraw/zinc/65/51/34/605655134.db2.gz BRYMMHIUTKPBRL-WDEREUQCSA-N -1 3 357.248 2.941 20 10 FFCDHM O=C(Nc1cccc(N2CCCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823364077 606672108 /nfs/dbraw/zinc/67/21/08/606672108.db2.gz YKFWLMYEPOEFAP-UHFFFAOYSA-N -1 3 370.363 2.997 20 10 FFCDHM O=C(Nc1cccc(N2CCCC2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823364077 606672109 /nfs/dbraw/zinc/67/21/09/606672109.db2.gz YKFWLMYEPOEFAP-UHFFFAOYSA-N -1 3 370.363 2.997 20 10 FFCDHM CCOC(=O)N[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000153994389 728793408 /nfs/dbraw/zinc/79/34/08/728793408.db2.gz LFDCZUAKZVRMJS-LBPRGKRZSA-N -1 3 357.248 2.865 20 10 FFCDHM O=C1N[C@@H](c2cc(Cl)ccc2[O-])Nc2ccc(N3CCOCC3)cc21 ZINC000193506023 729481316 /nfs/dbraw/zinc/48/13/16/729481316.db2.gz UYHXEIAFCVYJDI-KRWDZBQOSA-N -1 3 359.813 2.736 20 10 FFCDHM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc([O-])ccc1Cl ZINC000856213498 730316406 /nfs/dbraw/zinc/31/64/06/730316406.db2.gz OHVTWWRSFBJYOK-UHFFFAOYSA-N -1 3 360.841 2.937 20 10 FFCDHM COC(=O)C[C@H]1CSCCN1Cc1c([O-])cccc1Br ZINC000862247786 730681410 /nfs/dbraw/zinc/68/14/10/730681410.db2.gz CIARSASYFXIJFX-JTQLQIEISA-N -1 3 360.273 2.635 20 10 FFCDHM COC(=O)C[C@@H]1CSCCN1Cc1c([O-])cccc1Br ZINC000862247787 730681421 /nfs/dbraw/zinc/68/14/21/730681421.db2.gz CIARSASYFXIJFX-SNVBAGLBSA-N -1 3 360.273 2.635 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@@H](C2CCC2)C1 ZINC000862391504 730696188 /nfs/dbraw/zinc/69/61/88/730696188.db2.gz DTYGTZJSLOFVGW-CQSZACIVSA-N -1 3 374.300 2.554 20 10 FFCDHM CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1c([O-])cccc1Cl ZINC000862544281 730708423 /nfs/dbraw/zinc/70/84/23/730708423.db2.gz VEINOBZGLFFRFF-UHFFFAOYSA-N -1 3 362.813 2.887 20 10 FFCDHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000780837191 738580848 /nfs/dbraw/zinc/58/08/48/738580848.db2.gz DKGZERXEZLUGQQ-UHFFFAOYSA-N -1 3 359.762 2.772 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3cccnn3)CC2)c1 ZINC000781906606 738670213 /nfs/dbraw/zinc/67/02/13/738670213.db2.gz ZSBPUMKCMYIVGL-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM COCCN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750825682 735818246 /nfs/dbraw/zinc/81/82/46/735818246.db2.gz IUTSLFMITLLDFS-UHFFFAOYSA-N -1 3 355.406 2.524 20 10 FFCDHM C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000756756219 736359085 /nfs/dbraw/zinc/35/90/85/736359085.db2.gz GJFAQRWTJZOPSD-JTQLQIEISA-N -1 3 353.390 2.851 20 10 FFCDHM Cc1ccc(C)c(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000760549478 736649417 /nfs/dbraw/zinc/64/94/17/736649417.db2.gz SWTISCZSTUOZSZ-UHFFFAOYSA-N -1 3 362.451 2.653 20 10 FFCDHM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000800534597 740532387 /nfs/dbraw/zinc/53/23/87/740532387.db2.gz PZRBBNIDAIMXKB-CYBMUJFWSA-N -1 3 362.289 2.554 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)C2CCCCC2)c1 ZINC000769722663 737558102 /nfs/dbraw/zinc/55/81/02/737558102.db2.gz RBSPGCSXLRFOML-UHFFFAOYSA-N -1 3 352.456 2.701 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncs1 ZINC000771056679 737689998 /nfs/dbraw/zinc/68/99/98/737689998.db2.gz GJTYWXYTRWPFCT-ZDUSSCGKSA-N -1 3 351.859 2.897 20 10 FFCDHM CC(C)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000919812166 737878604 /nfs/dbraw/zinc/87/86/04/737878604.db2.gz MRIFOBPNKPLVGA-UHFFFAOYSA-N -1 3 362.451 2.817 20 10 FFCDHM COc1c([O-])c(CNc2ccc([S@](C)=O)c(F)c2)ccc1[N+](=O)[O-] ZINC000774937516 738042423 /nfs/dbraw/zinc/04/24/23/738042423.db2.gz GLNHIZIKFOCBDI-DEOSSOPVSA-N -1 3 354.359 2.798 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(OC)ccc1O ZINC000775686528 738112953 /nfs/dbraw/zinc/11/29/53/738112953.db2.gz IVEIPEWQWBKTNL-UHFFFAOYSA-N -1 3 365.813 2.935 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H](C)NC(=O)OC(C)(C)C ZINC000922677558 738183267 /nfs/dbraw/zinc/18/32/67/738183267.db2.gz ADOFOWCGUDOPHR-GHMZBOCLSA-N -1 3 355.410 2.632 20 10 FFCDHM O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cccc(O)c1[O-] ZINC000776641642 738218255 /nfs/dbraw/zinc/21/82/55/738218255.db2.gz UTXXVEPPTKVRQY-UHFFFAOYSA-N -1 3 358.375 2.546 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN(C)CCN2CCOC(C)(C)C2)c1[O-] ZINC000789329825 739338457 /nfs/dbraw/zinc/33/84/57/739338457.db2.gz BFXOIAGXHPGAHA-UHFFFAOYSA-N -1 3 354.878 2.791 20 10 FFCDHM C[C@@H]1OCC[C@@]12CN(Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930622 739515187 /nfs/dbraw/zinc/51/51/87/739515187.db2.gz BETHSBFCZJFEBG-BFQNTYOBSA-N -1 3 356.260 2.923 20 10 FFCDHM CNS(=O)(=O)c1ccc2c(c1)N(Cc1c([O-])cccc1Cl)CC2 ZINC000792177916 739647231 /nfs/dbraw/zinc/64/72/31/739647231.db2.gz XJABKIFOBVDFOP-UHFFFAOYSA-N -1 3 352.843 2.516 20 10 FFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000793360669 739773283 /nfs/dbraw/zinc/77/32/83/739773283.db2.gz CKFBSNHOZZYODG-ZBFHGGJFSA-N -1 3 356.260 2.925 20 10 FFCDHM CN(C)C(=O)O[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000824615191 743117507 /nfs/dbraw/zinc/11/75/07/743117507.db2.gz BSBMAHSQQLKBKB-ZDUSSCGKSA-N -1 3 357.248 2.817 20 10 FFCDHM COCCN(CC(=O)OC(C)(C)C)Cc1ccc(Br)cc1[O-] ZINC000824649293 743122366 /nfs/dbraw/zinc/12/23/66/743122366.db2.gz CRJMSLAGYHMUHW-UHFFFAOYSA-N -1 3 374.275 2.945 20 10 FFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@H]2CCCC[C@@H]21 ZINC000824807934 743152485 /nfs/dbraw/zinc/15/24/85/743152485.db2.gz IPULJVRDQBFRTI-ZFWWWQNUSA-N -1 3 374.300 2.696 20 10 FFCDHM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825774578 743325147 /nfs/dbraw/zinc/32/51/47/743325147.db2.gz YRLAJUVMWGZLGC-ZDUSSCGKSA-N -1 3 362.289 2.554 20 10 FFCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000825900747 743340621 /nfs/dbraw/zinc/34/06/21/743340621.db2.gz PWQBUTZUULSKKC-MFKMUULPSA-N -1 3 362.289 2.552 20 10 FFCDHM Fc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826375125 743383741 /nfs/dbraw/zinc/38/37/41/743383741.db2.gz APUJYTWGJJZABZ-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Fc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826375125 743383749 /nfs/dbraw/zinc/38/37/49/743383749.db2.gz APUJYTWGJJZABZ-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM CC(C)c1nc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000838644883 746683079 /nfs/dbraw/zinc/68/30/79/746683079.db2.gz SVKWJWDACINWCF-UHFFFAOYSA-N -1 3 358.229 2.940 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000839579148 746860808 /nfs/dbraw/zinc/86/08/08/746860808.db2.gz SYVRVSGIUNAGGX-QGZVFWFLSA-N -1 3 363.845 2.917 20 10 FFCDHM COC(=O)CN(Cc1cc2n(n1)CCCC2)Cc1cc(Cl)ccc1[O-] ZINC000844306746 748001557 /nfs/dbraw/zinc/00/15/57/748001557.db2.gz LKXXYMDJIMUVJD-UHFFFAOYSA-N -1 3 363.845 2.754 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000055639049 845334664 /nfs/dbraw/zinc/33/46/64/845334664.db2.gz PDAVZHLFUKQJIP-UHFFFAOYSA-N -1 3 372.443 2.697 20 10 FFCDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC(C)(F)CC2)c1 ZINC000872690703 1013249022 /nfs/dbraw/zinc/24/90/22/1013249022.db2.gz UNJBFNCSXNDOQN-UHFFFAOYSA-N -1 3 364.461 2.751 20 10 FFCDHM O=C1N(CC2CCOCC2)CC[C@]12CCCN2Cc1cccc(F)c1[O-] ZINC001276086731 1013427046 /nfs/dbraw/zinc/42/70/46/1013427046.db2.gz SYRBTBZELJBOCC-HXUWFJFHSA-N -1 3 362.445 2.525 20 10 FFCDHM CC(C)=CCN1CCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271434219 972996425 /nfs/dbraw/zinc/99/64/25/972996425.db2.gz UBDJCCXHXSXGNF-UHFFFAOYSA-N -1 3 358.438 2.519 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000928709746 974303365 /nfs/dbraw/zinc/30/33/65/974303365.db2.gz FJGQWUWTDGDLLD-GFCCVEGCSA-N -1 3 360.360 2.730 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923916505 975555616 /nfs/dbraw/zinc/55/56/16/975555616.db2.gz GSNCVQOYJJGSSU-TXEJJXNPSA-N -1 3 367.421 2.634 20 10 FFCDHM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])cc(C)n1 ZINC001116794130 987063009 /nfs/dbraw/zinc/06/30/09/987063009.db2.gz YAYYIGNVHQTNRJ-UHFFFAOYSA-N -1 3 350.216 2.910 20 10 FFCDHM Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)c(N2CCCC2)n1 ZINC000921873642 987287429 /nfs/dbraw/zinc/28/74/29/987287429.db2.gz KBZMPYSVGGDVMI-UHFFFAOYSA-N -1 3 358.417 2.834 20 10 FFCDHM COc1ccc(CNC(=O)NCc2c([O-])cccc2F)c(OC)c1OC ZINC000914251526 987394201 /nfs/dbraw/zinc/39/42/01/987394201.db2.gz AYBVKZVSFMMCFG-UHFFFAOYSA-N -1 3 364.373 2.557 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001137839079 990545261 /nfs/dbraw/zinc/54/52/61/990545261.db2.gz QLYYIFHCHQTGPD-UHFFFAOYSA-N -1 3 356.323 2.662 20 10 FFCDHM COc1ccccc1N1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921425634 991083136 /nfs/dbraw/zinc/08/31/36/991083136.db2.gz LGACUPMQKFRJFC-CYBMUJFWSA-N -1 3 359.401 2.618 20 10 FFCDHM [O-]c1c(CNc2ccc(N3CCOCC3)nn2)cc(Cl)c2cccnc12 ZINC001168527072 993149879 /nfs/dbraw/zinc/14/98/79/993149879.db2.gz CDJAPTFKUXSVLT-UHFFFAOYSA-N -1 3 371.828 2.833 20 10 FFCDHM COC(=O)c1sc2[n-]c(CN(C)c3ccc(OC)cc3)nc(=O)c2c1C ZINC000844352715 997821243 /nfs/dbraw/zinc/82/12/43/997821243.db2.gz DOUVQXAGIZMKTM-UHFFFAOYSA-N -1 3 373.434 2.725 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H](O)c1ccc(O)cc1 ZINC001144608928 998678454 /nfs/dbraw/zinc/67/84/54/998678454.db2.gz ZVGIKGHGNIKAPL-QGZVFWFLSA-N -1 3 358.781 2.649 20 10 FFCDHM O=C(NCc1ccc(OCC2CCOCC2)cc1)c1cccc(O)c1[O-] ZINC001148224093 1001075391 /nfs/dbraw/zinc/07/53/91/1001075391.db2.gz BPGSFSNIAASJFC-UHFFFAOYSA-N -1 3 357.406 2.833 20 10 FFCDHM COC(=O)c1sc2c(c1NC(=O)c1cc(O)c([O-])c(O)c1)CCCC2 ZINC001148582551 1001174045 /nfs/dbraw/zinc/17/40/45/1001174045.db2.gz KTQXEMRZHVGVHJ-UHFFFAOYSA-N -1 3 363.391 2.783 20 10 FFCDHM COc1c([O-])c(CNc2cc(N3CCNC3=O)ccc2C)ccc1[N+](=O)[O-] ZINC000787312244 1001684313 /nfs/dbraw/zinc/68/43/13/1001684313.db2.gz WKVNWSKEPDSFSG-UHFFFAOYSA-N -1 3 372.381 2.759 20 10 FFCDHM COCC1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCOCC1 ZINC001182436489 1001850650 /nfs/dbraw/zinc/85/06/50/1001850650.db2.gz WBQHUUGWGOUGPV-UHFFFAOYSA-N -1 3 364.829 2.653 20 10 FFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790619460 1002448789 /nfs/dbraw/zinc/44/87/89/1002448789.db2.gz FFOYDDFXSQOCFA-STQMWFEESA-N -1 3 364.442 2.863 20 10 FFCDHM CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OCc1ccccc1 ZINC000790712550 1002468086 /nfs/dbraw/zinc/46/80/86/1002468086.db2.gz WXGKEPWNLMWYSI-INIZCTEOSA-N -1 3 357.406 2.986 20 10 FFCDHM O=C(c1cc2occc2s1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790767156 1002473716 /nfs/dbraw/zinc/47/37/16/1002473716.db2.gz FQRQSCRZOYPQMF-UHFFFAOYSA-N -1 3 372.402 2.504 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790792656 1002491783 /nfs/dbraw/zinc/49/17/83/1002491783.db2.gz GBTOQNFUDUIELZ-GXTWGEPZSA-N -1 3 364.442 2.911 20 10 FFCDHM COc1c([O-])c(CN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000774813237 1002792797 /nfs/dbraw/zinc/79/27/97/1002792797.db2.gz DERNYDICVOUBPD-UHFFFAOYSA-N -1 3 357.410 2.627 20 10 FFCDHM COc1c([O-])c(CN2CCO[C@@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774903978 1003005747 /nfs/dbraw/zinc/00/57/47/1003005747.db2.gz OQXUELBZPLOIGF-FQEVSTJZSA-N -1 3 370.405 2.983 20 10 FFCDHM COc1c([O-])c(CNCc2nc3cc(F)ccc3n2C)ccc1[N+](=O)[O-] ZINC000775026235 1003337882 /nfs/dbraw/zinc/33/78/82/1003337882.db2.gz ZURNDNYDYYYCCT-UHFFFAOYSA-N -1 3 360.345 2.625 20 10 FFCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)c1 ZINC001193350673 1004459468 /nfs/dbraw/zinc/45/94/68/1004459468.db2.gz QVQAMKQGGNXWNI-UHFFFAOYSA-N -1 3 358.778 2.944 20 10 FFCDHM COc1ccnc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1O ZINC001193543180 1004501901 /nfs/dbraw/zinc/50/19/01/1004501901.db2.gz PGVAUBFJZGZLAO-UHFFFAOYSA-N -1 3 359.769 2.633 20 10 FFCDHM CN(C)c1cccnc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001198238614 1004547242 /nfs/dbraw/zinc/54/72/42/1004547242.db2.gz XMHWESMXRNIYOO-UHFFFAOYSA-N -1 3 356.813 2.985 20 10 FFCDHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000856331381 1007775378 /nfs/dbraw/zinc/77/53/78/1007775378.db2.gz HIODCFCAXFTJPF-HZPDHXFCSA-N -1 3 354.406 2.569 20 10 FFCDHM COC(=O)CN(Cc1ccc(C)c(OC)n1)Cc1cc(Cl)ccc1[O-] ZINC001180262466 1009618200 /nfs/dbraw/zinc/61/82/00/1009618200.db2.gz VYXTYOIOPFXDAZ-UHFFFAOYSA-N -1 3 364.829 2.933 20 10 FFCDHM COc1cc(CNCc2nc3c(c(=O)[n-]2)COCC3)c(O)c(C(C)(C)C)c1 ZINC000865866096 1010877543 /nfs/dbraw/zinc/87/75/43/1010877543.db2.gz GVCOBPNBBITHJN-UHFFFAOYSA-N -1 3 373.453 2.556 20 10 FFCDHM CC(C)(C)OC(=O)NC1CC(CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923981288 1017083179 /nfs/dbraw/zinc/08/31/79/1017083179.db2.gz GSNCVQOYJJGSSU-UHFFFAOYSA-N -1 3 367.421 2.634 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000928709694 1019083174 /nfs/dbraw/zinc/08/31/74/1019083174.db2.gz LEMUBTAWFPXBCJ-UHFFFAOYSA-N -1 3 373.384 2.972 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000928712309 1019086656 /nfs/dbraw/zinc/08/66/56/1019086656.db2.gz QRFGZQXHPYCZBV-LJQANCHMSA-N -1 3 356.397 2.901 20 10 FFCDHM O=C1c2cccc(O[C@@H]3CCNCC3(F)F)c2C(=O)c2cccc([O-])c21 ZINC001218004770 1032943706 /nfs/dbraw/zinc/94/37/06/1032943706.db2.gz CAJYWTUWTUTKGA-CQSZACIVSA-N -1 3 359.328 2.544 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N3CCOCC3)cn2)c1 ZINC000756802029 1023756017 /nfs/dbraw/zinc/75/60/17/1023756017.db2.gz OYRCUMIDEPEEBW-ZDUSSCGKSA-N -1 3 357.410 2.584 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N3CCOCC3)nc2C)c1 ZINC000757620318 1023838845 /nfs/dbraw/zinc/83/88/45/1023838845.db2.gz COGLSZSUZLWHSZ-CYBMUJFWSA-N -1 3 371.437 2.892 20 10 FFCDHM O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cccc(O)c1[O-] ZINC000193138616 1024398638 /nfs/dbraw/zinc/39/86/38/1024398638.db2.gz NOUXTQSSXJLVIZ-UHFFFAOYSA-N -1 3 364.283 2.950 20 10 FFCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n2nccc2n1 ZINC001153987709 1028096607 /nfs/dbraw/zinc/09/66/07/1028096607.db2.gz QYDIJOUCQNEFKW-UHFFFAOYSA-N -1 3 367.796 2.875 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c([O-])c1O ZINC000780893083 1028854969 /nfs/dbraw/zinc/85/49/69/1028854969.db2.gz NDAXDAKILMBJAJ-CHWSQXEVSA-N -1 3 357.410 2.667 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001203657391 1030810534 /nfs/dbraw/zinc/81/05/34/1030810534.db2.gz DGVYWGKCSGFICM-CQSZACIVSA-N -1 3 357.845 2.771 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cn2cccnc2n1 ZINC001150839160 1031791891 /nfs/dbraw/zinc/79/18/91/1031791891.db2.gz GSKBUZQDSNNHBC-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001138127409 1033808656 /nfs/dbraw/zinc/80/86/56/1033808656.db2.gz ZYWYJHDAOHUDDF-ZTFGCOKTSA-N -1 3 358.413 2.985 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001140464910 1035485182 /nfs/dbraw/zinc/48/51/82/1035485182.db2.gz DPNFNOUJIQCODM-AWEZNQCLSA-N -1 3 357.845 2.771 20 10 FFCDHM O=C1CO[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)CN1C1CCCC1 ZINC001277231899 1035673866 /nfs/dbraw/zinc/67/38/66/1035673866.db2.gz HNOPEWZXKCGMRC-IBGZPJMESA-N -1 3 364.873 2.792 20 10 FFCDHM CCOC(=O)C1CCN(Cc2cc(Br)c(OC)cc2[O-])CC1 ZINC001233137409 1036384124 /nfs/dbraw/zinc/38/41/24/1036384124.db2.gz MEWPDAVUSGDFOV-UHFFFAOYSA-N -1 3 372.259 2.938 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)C[C@]2(C)CO)cc1Br ZINC001233135356 1036385377 /nfs/dbraw/zinc/38/53/77/1036385377.db2.gz QWDUXUOFMAQARP-CYBMUJFWSA-N -1 3 366.202 2.755 20 10 FFCDHM COCC1CCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])CC1 ZINC001233305746 1036513116 /nfs/dbraw/zinc/51/31/16/1036513116.db2.gz RMYSYGCCRBHUHS-UHFFFAOYSA-N -1 3 372.259 2.800 20 10 FFCDHM O=C1c2cccc(O[C@@H]3CCc4nccn4C3)c2C(=O)c2cccc([O-])c21 ZINC001229192387 1036543617 /nfs/dbraw/zinc/54/36/17/1036543617.db2.gz LCNFKXIOWJLVBP-GFCCVEGCSA-N -1 3 360.369 2.758 20 10 FFCDHM COC(=O)[C@@H]1CC[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229192336 1036543785 /nfs/dbraw/zinc/54/37/85/1036543785.db2.gz KTESCQKAWDCCQL-NEPJUHHUSA-N -1 3 366.369 2.888 20 10 FFCDHM COC[C@H]1Cn2nccc2CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418201 1036611308 /nfs/dbraw/zinc/61/13/08/1036611308.db2.gz XMMHPIDAHWMBLU-GFCCVEGCSA-N -1 3 355.360 2.886 20 10 FFCDHM COC(=O)[C@H]1C[C@H](Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001229540840 1036729370 /nfs/dbraw/zinc/72/93/70/1036729370.db2.gz DICXHPHFOJSCMN-HAQNSBGRSA-N -1 3 366.369 2.806 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCOC[C@H]3F)c12 ZINC001234754191 1037168745 /nfs/dbraw/zinc/16/87/45/1037168745.db2.gz VMBPKQXALKHQGE-MFKMUULPSA-N -1 3 362.309 2.569 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])CC[C@H]21 ZINC001235306449 1037464163 /nfs/dbraw/zinc/46/41/63/1037464163.db2.gz FQIPEKKVOABUNY-QMTHXVAHSA-N -1 3 371.250 2.737 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1 ZINC001231564719 1037687795 /nfs/dbraw/zinc/68/77/95/1037687795.db2.gz ZSWKDVYVGKAQFN-UHFFFAOYSA-N -1 3 365.389 2.741 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1 ZINC001231564719 1037687805 /nfs/dbraw/zinc/68/78/05/1037687805.db2.gz ZSWKDVYVGKAQFN-UHFFFAOYSA-N -1 3 365.389 2.741 20 10 FFCDHM CC1(C)[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001231567344 1037691368 /nfs/dbraw/zinc/69/13/68/1037691368.db2.gz YSVPGAHGZOPKKR-NRFANRHFSA-N -1 3 367.401 2.932 20 10 FFCDHM CC1(C)[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001231567344 1037691374 /nfs/dbraw/zinc/69/13/74/1037691374.db2.gz YSVPGAHGZOPKKR-NRFANRHFSA-N -1 3 367.401 2.932 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C2)cc1Cl ZINC001231869738 1037964965 /nfs/dbraw/zinc/96/49/65/1037964965.db2.gz XKUDXIWHALRIQT-KGLIPLIRSA-N -1 3 370.877 2.814 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc(Cl)c2[O-])CC12COC2 ZINC001231913232 1038011700 /nfs/dbraw/zinc/01/17/00/1038011700.db2.gz IYMVGUDQQLSFMS-AWEZNQCLSA-N -1 3 368.861 2.771 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)C1CCOCC1 ZINC001231913549 1038012174 /nfs/dbraw/zinc/01/21/74/1038012174.db2.gz MDZHJEAXUCSMDY-OAHLLOKOSA-N -1 3 352.862 2.553 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3nccnc3Cl)CC2)c(Cl)c1 ZINC001236797205 1038277094 /nfs/dbraw/zinc/27/70/94/1038277094.db2.gz DGMAWIIHAOASEG-UHFFFAOYSA-N -1 3 369.252 2.820 20 10 FFCDHM COc1cc([O-])c(CN(C)CC(=O)OC(C)(C)C)c(Br)c1 ZINC001237061708 1038428733 /nfs/dbraw/zinc/42/87/33/1038428733.db2.gz HAIDKMXAFVLCRJ-UHFFFAOYSA-N -1 3 360.248 2.937 20 10 FFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001237080170 1038439101 /nfs/dbraw/zinc/43/91/01/1038439101.db2.gz KVCVLDJGYFFCEU-BETUJISGSA-N -1 3 357.281 2.994 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(Cc3cccnc3)c2)c1 ZINC001254729177 1040914511 /nfs/dbraw/zinc/91/45/11/1040914511.db2.gz DNTNAHHCGASAKV-CYBMUJFWSA-N -1 3 352.394 2.992 20 10 FFCDHM COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2c([O-])cccc2F)CCC1 ZINC001279421425 1043094865 /nfs/dbraw/zinc/09/48/65/1043094865.db2.gz IFEQDDPZVKHXEI-GASCZTMLSA-N -1 3 362.445 2.666 20 10 FFCDHM COc1cc([O-])c(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)cc1Cl ZINC001279571661 1043274662 /nfs/dbraw/zinc/27/46/62/1043274662.db2.gz MLSQWVHRRYAFIC-UHFFFAOYSA-N -1 3 367.877 2.680 20 10 FFCDHM COc1ncnc2c1CCN(Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237679049 1043307263 /nfs/dbraw/zinc/30/72/63/1043307263.db2.gz MRAGTXPUNQUSFW-UHFFFAOYSA-N -1 3 364.243 2.820 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCC[C@@]2(CCO2)C1 ZINC001237780561 1043354550 /nfs/dbraw/zinc/35/45/50/1043354550.db2.gz PICBVMANKLAUMC-CQSZACIVSA-N -1 3 359.207 2.752 20 10 FFCDHM COc1ccnc(O[C@@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237944817 1043449023 /nfs/dbraw/zinc/44/90/23/1043449023.db2.gz WMZFKHRKKKUEIJ-LLVKDONJSA-N -1 3 353.781 2.637 20 10 FFCDHM CN1CCO[C@@]2(CCCN(Cc3c([O-])cc(Br)cc3F)C2)C1 ZINC001279685286 1043465531 /nfs/dbraw/zinc/46/55/31/1043465531.db2.gz UXADIHMTLXTMDW-INIZCTEOSA-N -1 3 373.266 2.590 20 10 FFCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1N1CCNC1=O ZINC001310645781 1043718216 /nfs/dbraw/zinc/71/82/16/1043718216.db2.gz XAKGVSCJAOAUFD-UHFFFAOYSA-N -1 3 358.373 2.691 20 10 FFCDHM O=C(NC1CCC(F)CC1)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F ZINC001280008088 1044081193 /nfs/dbraw/zinc/08/11/93/1044081193.db2.gz JPTHKARQIXWYOM-OILHFSCHSA-N -1 3 350.409 2.893 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001325250860 1046437787 /nfs/dbraw/zinc/43/77/87/1046437787.db2.gz XVGAJHKQVMZWQM-AWEZNQCLSA-N -1 3 356.470 2.545 20 10 FFCDHM CO[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC[C@H]1C ZINC001340095650 1050499465 /nfs/dbraw/zinc/49/94/65/1050499465.db2.gz NDUIPDRVXPUECE-PWSUYJOCSA-N -1 3 359.455 2.659 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301561123 1050922702 /nfs/dbraw/zinc/92/27/02/1050922702.db2.gz HHALXYCCRQYSDX-INIZCTEOSA-N -1 3 352.438 2.644 20 10 FFCDHM CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC001303749746 1051439742 /nfs/dbraw/zinc/43/97/42/1051439742.db2.gz GLEYFJGCDOYGON-UHFFFAOYSA-N -1 3 359.382 2.770 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H](c1ccccc1)N1CCSCC1 ZINC001303877744 1051465696 /nfs/dbraw/zinc/46/56/96/1051465696.db2.gz FTAZHIUVMXHHEB-GOSISDBHSA-N -1 3 360.454 2.938 20 10 FFCDHM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1[O-])CC2 ZINC001308688805 1052487065 /nfs/dbraw/zinc/48/70/65/1052487065.db2.gz QYXUNKYCTOFJCQ-UHFFFAOYSA-N -1 3 366.870 2.859 20 10 FFCDHM CC1(C)CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC001451529775 1059123878 /nfs/dbraw/zinc/12/38/78/1059123878.db2.gz WCZPRCATKSRFHA-LBPRGKRZSA-N -1 3 354.472 2.710 20 10 FFCDHM CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1C1CC1 ZINC001354551451 1059149044 /nfs/dbraw/zinc/14/90/44/1059149044.db2.gz QOKLCBNFCPNIMB-NSHDSACASA-N -1 3 374.416 2.831 20 10 FFCDHM CCOC(=O)[C@@]1(F)CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC12CCC2 ZINC001460406454 1060987612 /nfs/dbraw/zinc/98/76/12/1060987612.db2.gz UUHBIAMQMUXBQV-IBGZPJMESA-N -1 3 367.392 2.991 20 10 FFCDHM COc1ccc(CNC(=O)c2c[nH]nc2NCc2cccc(F)c2[O-])cc1 ZINC001462670633 1061719111 /nfs/dbraw/zinc/71/91/11/1061719111.db2.gz VRFDAAJJUVMTSD-UHFFFAOYSA-N -1 3 370.384 2.805 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCCC3)C2)c1 ZINC001522828189 1062300284 /nfs/dbraw/zinc/30/02/84/1062300284.db2.gz YPXFWTOWPKIHGM-CQSZACIVSA-N -1 3 366.483 2.806 20 10 FFCDHM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001471754477 1064781280 /nfs/dbraw/zinc/78/12/80/1064781280.db2.gz IUXYMNJSDBSUHW-LLVKDONJSA-N -1 3 366.414 2.702 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001471975683 1064876157 /nfs/dbraw/zinc/87/61/57/1064876157.db2.gz CSBFBVOLZBYRDH-AWEZNQCLSA-N -1 3 352.406 2.937 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001558454526 1076009094 /nfs/dbraw/zinc/00/90/94/1076009094.db2.gz IIBCWACIBGXSQR-INIZCTEOSA-N -1 3 361.394 2.869 20 10 FFCDHM CO[C@@H]1C[C@H]2CN(Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968279 1076314924 /nfs/dbraw/zinc/31/49/24/1076314924.db2.gz JAHPEERSHYABJT-LSDHHAIUSA-N -1 3 361.392 2.675 20 10 FFCDHM CN(C)[C@H](CNC(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001564086437 1076604655 /nfs/dbraw/zinc/60/46/55/1076604655.db2.gz YSFFYDWRQPVZCE-OAHLLOKOSA-N -1 3 367.371 2.912 20 10 FFCDHM CC(=O)Nc1ccc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])cn1 ZINC001589191485 1080406545 /nfs/dbraw/zinc/40/65/45/1080406545.db2.gz LTZGLWIOUCUMHG-UHFFFAOYSA-N -1 3 370.384 2.659 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000055189951 506695860 /nfs/dbraw/zinc/69/58/60/506695860.db2.gz SNWLYMCQMLWMAA-UHFFFAOYSA-N -1 3 374.462 2.784 20 10 FFCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000055248465 506708558 /nfs/dbraw/zinc/70/85/58/506708558.db2.gz DFVDLNFSJNZCNS-UHFFFAOYSA-N -1 3 353.422 2.881 20 10 FFCDHM CN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1[O-] ZINC000111235062 508080755 /nfs/dbraw/zinc/08/07/55/508080755.db2.gz JIQNPZBFFNEPHQ-LJQANCHMSA-N -1 3 358.413 2.563 20 10 FFCDHM CC(C)C[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092599717 508086139 /nfs/dbraw/zinc/08/61/39/508086139.db2.gz OZYZFOHLRWTLAD-CQSZACIVSA-N -1 3 354.472 2.805 20 10 FFCDHM O=C1CCCN1C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093087548 508121139 /nfs/dbraw/zinc/12/11/39/508121139.db2.gz UNMRHHHYLXMYIV-UHFFFAOYSA-N -1 3 353.260 2.742 20 10 FFCDHM COc1cc(Br)cc(CN2CCC[C@@H]2c2nncn2C)c1[O-] ZINC000093809679 508156263 /nfs/dbraw/zinc/15/62/63/508156263.db2.gz KRKUVGITYYJJQS-GFCCVEGCSA-N -1 3 367.247 2.629 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000084090515 508265350 /nfs/dbraw/zinc/26/53/50/508265350.db2.gz AKDXZGAAZIDPMI-HOTGVXAUSA-N -1 3 357.447 2.522 20 10 FFCDHM Cc1cc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)on1 ZINC000122330044 508518197 /nfs/dbraw/zinc/51/81/97/508518197.db2.gz OHLUKTNFACLRCE-UHFFFAOYSA-N -1 3 366.259 2.769 20 10 FFCDHM COc1cc(Br)cc(CN2CCOC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000377704771 512409229 /nfs/dbraw/zinc/40/92/29/512409229.db2.gz WRTDAZUTDBLGKF-KBPBESRZSA-N -1 3 372.259 2.543 20 10 FFCDHM COc1cc(Br)cc(CN2CCOC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000377704773 512409818 /nfs/dbraw/zinc/40/98/18/512409818.db2.gz WRTDAZUTDBLGKF-UONOGXRCSA-N -1 3 372.259 2.543 20 10 FFCDHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)ccc21 ZINC000136489760 508697321 /nfs/dbraw/zinc/69/73/21/508697321.db2.gz WAYYYRXWCLQVJI-UHFFFAOYSA-N -1 3 360.435 2.801 20 10 FFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000373640044 512438695 /nfs/dbraw/zinc/43/86/95/512438695.db2.gz PXVBMRGXFYRUTN-MLGOLLRUSA-N -1 3 356.260 2.925 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)n1cccn1 ZINC000268472577 509954313 /nfs/dbraw/zinc/95/43/13/509954313.db2.gz GUDKBHKYFKOVDF-LLVKDONJSA-N -1 3 352.232 2.961 20 10 FFCDHM C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191215354 510552366 /nfs/dbraw/zinc/55/23/66/510552366.db2.gz UEVLPBQHDRBSRC-NSHDSACASA-N -1 3 370.421 2.772 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COc1cccnc1 ZINC000266550488 510652997 /nfs/dbraw/zinc/65/29/97/510652997.db2.gz RXHMWLAACMDRET-UHFFFAOYSA-N -1 3 365.227 2.977 20 10 FFCDHM Cc1nn(C)cc1[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277333838 510960516 /nfs/dbraw/zinc/96/05/16/510960516.db2.gz MRKYJTVTPMNWEA-LLVKDONJSA-N -1 3 362.817 2.613 20 10 FFCDHM COc1c([O-])c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278112503 510982313 /nfs/dbraw/zinc/98/23/13/510982313.db2.gz BTAOCNBYBMUOQK-JPQMIFPKSA-N -1 3 364.423 2.897 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[C@H]1C(=O)OC ZINC000285626288 510983003 /nfs/dbraw/zinc/98/30/03/510983003.db2.gz KCMSUMUAJAJHMR-CHWSQXEVSA-N -1 3 370.243 2.702 20 10 FFCDHM COc1c([O-])c(CNc2cccc(N3CCCNC3=O)c2)ccc1[N+](=O)[O-] ZINC000278829299 511008603 /nfs/dbraw/zinc/00/86/03/511008603.db2.gz IOOLAWKSWKDXMQ-UHFFFAOYSA-N -1 3 372.381 2.841 20 10 FFCDHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cccc(O)c3[O-])ccc2NC1=O ZINC000279425137 511078890 /nfs/dbraw/zinc/07/88/90/511078890.db2.gz YRDSEEUDFXUJRJ-BONVTDFDSA-N -1 3 356.378 2.698 20 10 FFCDHM CCn1nccc1C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000279436144 511081932 /nfs/dbraw/zinc/08/19/32/511081932.db2.gz OPUGKSKJIZXNPA-UHFFFAOYSA-N -1 3 360.414 2.905 20 10 FFCDHM COc1c([O-])c(CN[C@@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000290449573 511142467 /nfs/dbraw/zinc/14/24/67/511142467.db2.gz MGEQRXJDTWMODE-HNNXBMFYSA-N -1 3 363.389 2.841 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CSCC(C)=O ZINC000279856896 511242400 /nfs/dbraw/zinc/24/24/00/511242400.db2.gz MJTOKMGNTALSEF-UHFFFAOYSA-N -1 3 360.273 2.825 20 10 FFCDHM Cc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280144111 511352427 /nfs/dbraw/zinc/35/24/27/511352427.db2.gz DGFOZHSYQWCDSW-BLLLJJGKSA-N -1 3 356.260 2.843 20 10 FFCDHM Cc1cccc(CC2(O)CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000280246633 511390679 /nfs/dbraw/zinc/39/06/79/511390679.db2.gz NIVIDCLBINUPGH-UHFFFAOYSA-N -1 3 355.434 2.924 20 10 FFCDHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272716612 511505672 /nfs/dbraw/zinc/50/56/72/511505672.db2.gz GCAHSTJALCXPTR-UHFFFAOYSA-N -1 3 358.394 2.759 20 10 FFCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c([O-])c1O ZINC000272788281 511506914 /nfs/dbraw/zinc/50/69/14/511506914.db2.gz WLCZDRKDUOCJSI-HNNXBMFYSA-N -1 3 355.390 2.520 20 10 FFCDHM CC[C@@H]1C[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000273008221 511515409 /nfs/dbraw/zinc/51/54/09/511515409.db2.gz PMMYRLPTFTZAEQ-SWLSCSKDSA-N -1 3 369.845 2.752 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367249 511522994 /nfs/dbraw/zinc/52/29/94/511522994.db2.gz FHUUHHHAVJSTAY-UONOGXRCSA-N -1 3 356.422 2.534 20 10 FFCDHM C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000273427541 511526175 /nfs/dbraw/zinc/52/61/75/511526175.db2.gz UQCNGAILAYOIIX-AWEZNQCLSA-N -1 3 358.413 2.855 20 10 FFCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273484374 511528879 /nfs/dbraw/zinc/52/88/79/511528879.db2.gz MZAZLOCDKNUHHP-GFCCVEGCSA-N -1 3 364.423 2.945 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000296272359 511679688 /nfs/dbraw/zinc/67/96/88/511679688.db2.gz DRCAUXREHWIUGH-MCFWBGNESA-N -1 3 373.902 2.883 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])c1cc(C)nc2ncnn21 ZINC000301700760 511699790 /nfs/dbraw/zinc/69/97/90/511699790.db2.gz DIUCVSANSSULFZ-UHFFFAOYSA-N -1 3 362.231 2.927 20 10 FFCDHM O=S1(=O)CCCN1c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000274071743 511711285 /nfs/dbraw/zinc/71/12/85/511711285.db2.gz PHSIIABNLDZACJ-UHFFFAOYSA-N -1 3 366.870 2.875 20 10 FFCDHM CCC1(CC)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1 ZINC000274409112 511825349 /nfs/dbraw/zinc/82/53/49/511825349.db2.gz LXEMPCOMTGPUPE-UHFFFAOYSA-N -1 3 372.512 2.512 20 10 FFCDHM Cc1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000366403076 512001914 /nfs/dbraw/zinc/00/19/14/512001914.db2.gz SSTHQWYYWWLNPV-HNNXBMFYSA-N -1 3 363.845 2.665 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000374012758 512620880 /nfs/dbraw/zinc/62/08/80/512620880.db2.gz FZORDWLJABVZGE-WTOJCKNJSA-N -1 3 351.418 2.892 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccc(=O)[nH]1 ZINC000370293583 512863318 /nfs/dbraw/zinc/86/33/18/512863318.db2.gz HDRHBZMECZIMSM-AWEZNQCLSA-N -1 3 361.829 2.541 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000374909244 513066644 /nfs/dbraw/zinc/06/66/44/513066644.db2.gz JHSHXQNCWMFQRQ-LBPRGKRZSA-N -1 3 370.833 2.971 20 10 FFCDHM Cc1cc(C(=O)OCc2ccon2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184337 599660328 /nfs/dbraw/zinc/66/03/28/599660328.db2.gz SCNJHFXSGSGBEV-UHFFFAOYSA-N -1 3 364.365 2.619 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000739780109 603397717 /nfs/dbraw/zinc/39/77/17/603397717.db2.gz MXWQCESGOSIMDZ-SJCJKPOMSA-N -1 3 372.421 2.810 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000739780109 603397722 /nfs/dbraw/zinc/39/77/22/603397722.db2.gz MXWQCESGOSIMDZ-SJCJKPOMSA-N -1 3 372.421 2.810 20 10 FFCDHM O[C@H](COc1ccc(N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504791 607876884 /nfs/dbraw/zinc/87/68/84/607876884.db2.gz DKUBMPMCNTYDLT-GOSISDBHSA-N -1 3 351.410 2.579 20 10 FFCDHM O[C@H](COc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504791 607876885 /nfs/dbraw/zinc/87/68/85/607876885.db2.gz DKUBMPMCNTYDLT-GOSISDBHSA-N -1 3 351.410 2.579 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000070823737 728205834 /nfs/dbraw/zinc/20/58/34/728205834.db2.gz OMCGEWHLRUEOFV-UHFFFAOYSA-N -1 3 370.814 2.517 20 10 FFCDHM CCN(Cc1cccc(Br)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000093414063 728475961 /nfs/dbraw/zinc/47/59/61/728475961.db2.gz GTAPOPJHVRGWAL-LLVKDONJSA-N -1 3 364.305 2.800 20 10 FFCDHM Cc1ccc(S(=O)(=O)NCCN(C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000093685803 728477400 /nfs/dbraw/zinc/47/74/00/728477400.db2.gz SWFDHFIVPIOOCI-UHFFFAOYSA-N -1 3 368.886 2.764 20 10 FFCDHM Cc1cc(C(F)(F)F)nn1CCNC(=O)NCc1c([O-])cccc1F ZINC000924385153 738408304 /nfs/dbraw/zinc/40/83/04/738408304.db2.gz XZTJADCCXHITFM-UHFFFAOYSA-N -1 3 360.311 2.554 20 10 FFCDHM COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1ccc(Br)cc1[O-] ZINC000862515730 730705765 /nfs/dbraw/zinc/70/57/65/730705765.db2.gz BDXAEFNTTSLURJ-BXUZGUMPSA-N -1 3 372.259 2.603 20 10 FFCDHM COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Br)ccc1[O-] ZINC000862516423 730706061 /nfs/dbraw/zinc/70/60/61/730706061.db2.gz QYTMTUFHTKRIRT-RISCZKNCSA-N -1 3 372.259 2.603 20 10 FFCDHM CCOC(=O)c1cc(CNCc2cccc(Br)c2[O-])on1 ZINC000865764588 730994865 /nfs/dbraw/zinc/99/48/65/730994865.db2.gz GZVCDOKILHJQII-UHFFFAOYSA-N -1 3 355.188 2.609 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(F)CCOCC1 ZINC000866763907 731096715 /nfs/dbraw/zinc/09/67/15/731096715.db2.gz JMAUPBVIZKUZGK-HNNXBMFYSA-N -1 3 370.852 2.645 20 10 FFCDHM O=C1N[C@H](c2cc(Br)ccc2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877866070 732446313 /nfs/dbraw/zinc/44/63/13/732446313.db2.gz DHDFHOGBNMVKAN-HOCLYGCPSA-N -1 3 359.223 2.710 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000781896704 738668880 /nfs/dbraw/zinc/66/88/80/738668880.db2.gz MLBMIVDSNXGXDJ-CQSZACIVSA-N -1 3 353.260 2.706 20 10 FFCDHM CC[C@@H]1c2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000890612202 734323735 /nfs/dbraw/zinc/32/37/35/734323735.db2.gz JMEMDEGTULSVIV-MRXNPFEDSA-N -1 3 360.435 2.871 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895847370 735063808 /nfs/dbraw/zinc/06/38/08/735063808.db2.gz URIZJTWGBGBRDV-GFCCVEGCSA-N -1 3 354.166 2.901 20 10 FFCDHM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1c([O-])ccc2ccncc21 ZINC000740862989 735092522 /nfs/dbraw/zinc/09/25/22/735092522.db2.gz JSEIBEPTZVDJBX-UHFFFAOYSA-N -1 3 356.447 2.976 20 10 FFCDHM CCCc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000901595236 735800722 /nfs/dbraw/zinc/80/07/22/735800722.db2.gz LPGAQQXYZGKEAP-UHFFFAOYSA-N -1 3 368.480 2.811 20 10 FFCDHM C[C@@H](NCc1nnnn1-c1ccccc1)c1cc(Br)ccc1[O-] ZINC000756492046 736335961 /nfs/dbraw/zinc/33/59/61/736335961.db2.gz ZCNINIHBWVWVSX-LLVKDONJSA-N -1 3 374.242 2.981 20 10 FFCDHM CC(C)(C)OCc1cc(CNC(=O)NCc2c([O-])cccc2F)no1 ZINC000922069524 738086371 /nfs/dbraw/zinc/08/63/71/738086371.db2.gz AQJVXDJCEYJTRP-UHFFFAOYSA-N -1 3 351.378 2.834 20 10 FFCDHM COc1ccc(OCCS(=O)(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000776749131 738229549 /nfs/dbraw/zinc/22/95/49/738229549.db2.gz ZYIJIYIQJVATOZ-UHFFFAOYSA-N -1 3 357.815 2.875 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000793429302 739780699 /nfs/dbraw/zinc/78/06/99/739780699.db2.gz OZGUPPJKWFDCOR-UHFFFAOYSA-N -1 3 367.398 2.990 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC2CCOCC2)c1[O-] ZINC000934641528 739817702 /nfs/dbraw/zinc/81/77/02/739817702.db2.gz NNRABLODYLCKPX-KRWDZBQOSA-N -1 3 351.418 2.751 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCCC23CCCC3)c1 ZINC000794659560 739916567 /nfs/dbraw/zinc/91/65/67/739916567.db2.gz UDNNFVSKGGFKHD-INIZCTEOSA-N -1 3 366.483 2.997 20 10 FFCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC2(CCOCC2)O1 ZINC000825730933 743320163 /nfs/dbraw/zinc/32/01/63/743320163.db2.gz ADOUGWADTJHOBM-LBPRGKRZSA-N -1 3 356.260 2.925 20 10 FFCDHM CCC(=O)C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000827095201 743504824 /nfs/dbraw/zinc/50/48/24/743504824.db2.gz CCEPKWSJYVEMJQ-OAHLLOKOSA-N -1 3 364.873 2.886 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1[O-] ZINC000841892077 747482527 /nfs/dbraw/zinc/48/25/27/747482527.db2.gz DAZDKJSHIGWVNA-ZBFHGGJFSA-N -1 3 368.861 2.866 20 10 FFCDHM COc1cc(C)cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1O ZINC000848502043 748942604 /nfs/dbraw/zinc/94/26/04/748942604.db2.gz OQFUQLXBQOWXQK-DGCLKSJQSA-N -1 3 360.376 2.741 20 10 FFCDHM C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(Br)ccc1[O-] ZINC000848556863 748959992 /nfs/dbraw/zinc/95/99/92/748959992.db2.gz FICKLCKDIVLPEB-ZANVPECISA-N -1 3 367.247 2.975 20 10 FFCDHM C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc(Br)cc1[O-] ZINC000848557796 748960206 /nfs/dbraw/zinc/96/02/06/748960206.db2.gz LMJJTFIXNKHRQQ-TVQRCGJNSA-N -1 3 367.247 2.975 20 10 FFCDHM COCCN(Cc1cccc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848922702 749034586 /nfs/dbraw/zinc/03/45/86/749034586.db2.gz YLHNQRRXTULXPC-LLVKDONJSA-N -1 3 372.181 2.526 20 10 FFCDHM COCCN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)c(OC)c1 ZINC000821690322 945817605 /nfs/dbraw/zinc/81/76/05/945817605.db2.gz FTSRZFUTAWBOHN-UHFFFAOYSA-N -1 3 369.425 2.537 20 10 FFCDHM COCCN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)c(OC)c1 ZINC000821690322 945817620 /nfs/dbraw/zinc/81/76/20/945817620.db2.gz FTSRZFUTAWBOHN-UHFFFAOYSA-N -1 3 369.425 2.537 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275892372 1013153489 /nfs/dbraw/zinc/15/34/89/1013153489.db2.gz BQIILYXOVWAEKC-XIKOKIGWSA-N -1 3 350.846 2.590 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC000890817794 960607153 /nfs/dbraw/zinc/60/71/53/960607153.db2.gz JCBQEPQYDOYTMS-CWTRNNRKSA-N -1 3 362.426 2.617 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000177282001 969159238 /nfs/dbraw/zinc/15/92/38/969159238.db2.gz CAXOUEMRQDPMJN-GOSISDBHSA-N -1 3 356.397 2.971 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000898740323 976658845 /nfs/dbraw/zinc/65/88/45/976658845.db2.gz QYHCUQWQXBJGKS-CQSZACIVSA-N -1 3 372.856 2.989 20 10 FFCDHM CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1cc(F)c(F)cc1[O-] ZINC001142534248 982622647 /nfs/dbraw/zinc/62/26/47/982622647.db2.gz BIVYFOOWXRTMIO-HOCLYGCPSA-N -1 3 372.412 2.737 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c2)CC1 ZINC001596442423 984136686 /nfs/dbraw/zinc/13/66/86/984136686.db2.gz TUVSJPQWLRWNPK-UHFFFAOYSA-N -1 3 371.412 2.918 20 10 FFCDHM [O-]c1cc(I)ccc1CN1Cc2cccnc2C1 ZINC001232974414 986349399 /nfs/dbraw/zinc/34/93/99/986349399.db2.gz NGTMICULLBQEDS-UHFFFAOYSA-N -1 3 352.175 2.908 20 10 FFCDHM COc1ccc(C2=NO[C@H](CNC(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC000922370295 988510588 /nfs/dbraw/zinc/51/05/88/988510588.db2.gz JDCGQNWQZDZIAP-AWEZNQCLSA-N -1 3 373.384 2.532 20 10 FFCDHM Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c([O-])c1 ZINC000919970440 990773559 /nfs/dbraw/zinc/77/35/59/990773559.db2.gz BXCRNXFGRSLENF-UHFFFAOYSA-N -1 3 358.413 2.731 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001148581152 1001174465 /nfs/dbraw/zinc/17/44/65/1001174465.db2.gz MMOAMVWBLQCPPR-GOSISDBHSA-N -1 3 350.374 2.850 20 10 FFCDHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148587033 1001175864 /nfs/dbraw/zinc/17/58/64/1001175864.db2.gz AUXCJKINXSMIKY-UHFFFAOYSA-N -1 3 357.284 2.974 20 10 FFCDHM O=C(Nc1ccc(OC[C@H]2CCCO2)c(F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148588103 1001176314 /nfs/dbraw/zinc/17/63/14/1001176314.db2.gz OAZGDMYLICPDGI-GFCCVEGCSA-N -1 3 363.341 2.753 20 10 FFCDHM CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590238 1001176760 /nfs/dbraw/zinc/17/67/60/1001176760.db2.gz FNQIECMUQAIYKT-LBPRGKRZSA-N -1 3 353.415 2.680 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ncnn2-c2ccccc2)c1 ZINC000786940023 1001651023 /nfs/dbraw/zinc/65/10/23/1001651023.db2.gz PSBCXBSJFWCMDF-CYBMUJFWSA-N -1 3 352.394 2.610 20 10 FFCDHM COc1ccccc1[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCCC1 ZINC000789944264 1002236762 /nfs/dbraw/zinc/23/67/62/1002236762.db2.gz OYHNPCNZEDKHJC-HNNXBMFYSA-N -1 3 374.412 2.812 20 10 FFCDHM COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000774823839 1002795076 /nfs/dbraw/zinc/79/50/76/1002795076.db2.gz WVQTXEQPJLVQOI-UHFFFAOYSA-N -1 3 362.382 2.958 20 10 FFCDHM COc1c([O-])c(CN2CCO[C@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774903979 1003006218 /nfs/dbraw/zinc/00/62/18/1003006218.db2.gz OQXUELBZPLOIGF-HXUWFJFHSA-N -1 3 370.405 2.983 20 10 FFCDHM O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000792600821 1003088895 /nfs/dbraw/zinc/08/88/95/1003088895.db2.gz NCVCSTPZEGXIPL-INIZCTEOSA-N -1 3 355.390 2.836 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)CCN(C)C3=O)ccc1[N+](=O)[O-] ZINC000827044001 1016846826 /nfs/dbraw/zinc/84/68/26/1016846826.db2.gz FIPCUNIGYAWJHA-UHFFFAOYSA-N -1 3 357.366 2.549 20 10 FFCDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001197114082 1004089703 /nfs/dbraw/zinc/08/97/03/1004089703.db2.gz APAORYQTCZKPPK-BQYQJAHWSA-N -1 3 361.419 2.996 20 10 FFCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn(C)c1=O ZINC001195124021 1004897405 /nfs/dbraw/zinc/89/74/05/1004897405.db2.gz MVSGGRFXINSGBD-UHFFFAOYSA-N -1 3 357.797 2.531 20 10 FFCDHM O=S(=O)([N-]Cc1ccccc1O)c1ncccc1OCc1ccccc1 ZINC001201897831 1005280440 /nfs/dbraw/zinc/28/04/40/1005280440.db2.gz GFSAMUCUEHXSLJ-UHFFFAOYSA-N -1 3 370.430 2.845 20 10 FFCDHM CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[O-] ZINC000816825968 1007220696 /nfs/dbraw/zinc/22/06/96/1007220696.db2.gz RWTHJWBAERHQEW-UHFFFAOYSA-N -1 3 368.433 2.704 20 10 FFCDHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC001136630424 1008767105 /nfs/dbraw/zinc/76/71/05/1008767105.db2.gz QEUGPJPZHQAANZ-KRWDZBQOSA-N -1 3 369.417 2.877 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(c2cnccn2)CC1 ZINC001178028157 1008850944 /nfs/dbraw/zinc/85/09/44/1008850944.db2.gz IPPPLLWZDRMNNL-UHFFFAOYSA-N -1 3 354.797 2.732 20 10 FFCDHM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001178413862 1008984643 /nfs/dbraw/zinc/98/46/43/1008984643.db2.gz ZKRHDOLKUHBIKA-CQSZACIVSA-N -1 3 352.406 2.793 20 10 FFCDHM C[C@](O)(CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001179815050 1009460412 /nfs/dbraw/zinc/46/04/12/1009460412.db2.gz NHNMPGGNHANSML-AWEZNQCLSA-N -1 3 362.735 2.913 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000862788975 1009974333 /nfs/dbraw/zinc/97/43/33/1009974333.db2.gz FVURZMSMJVXIFE-HXUWFJFHSA-N -1 3 353.374 2.738 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])c2)CC1 ZINC000774084496 1010463744 /nfs/dbraw/zinc/46/37/44/1010463744.db2.gz LPEZVQAMMGPGKF-UHFFFAOYSA-N -1 3 370.409 2.695 20 10 FFCDHM CCN(CC)c1ccc(CNCc2nc3c(c(=O)[n-]2)COCC3)cc1F ZINC000865866507 1010877265 /nfs/dbraw/zinc/87/72/65/1010877265.db2.gz NFGCEWSYLCQDOB-UHFFFAOYSA-N -1 3 360.433 2.530 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000928704859 1019082379 /nfs/dbraw/zinc/08/23/79/1019082379.db2.gz FWZVEAPGZRYYFE-CYBMUJFWSA-N -1 3 363.433 2.512 20 10 FFCDHM CCCCN1C(=O)COCC12CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001276764954 1032905796 /nfs/dbraw/zinc/90/57/96/1032905796.db2.gz KNFAUJQJVLREKL-UHFFFAOYSA-N -1 3 372.387 2.624 20 10 FFCDHM CCN(Cc1ccccc1F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001116446773 1021221891 /nfs/dbraw/zinc/22/18/91/1021221891.db2.gz HQMFXNSKEPEUCH-UHFFFAOYSA-N -1 3 366.414 2.565 20 10 FFCDHM CCC[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CCO1 ZINC001121460867 1023791281 /nfs/dbraw/zinc/79/12/81/1023791281.db2.gz PPJJGBIKXBTQNL-NSHDSACASA-N -1 3 359.455 2.803 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001121556555 1023846832 /nfs/dbraw/zinc/84/68/32/1023846832.db2.gz FKQNOJWPYHDJRQ-QWRGUYRKSA-N -1 3 373.507 2.987 20 10 FFCDHM [O-]c1cccc(F)c1CN1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001137834639 1033169043 /nfs/dbraw/zinc/16/90/43/1033169043.db2.gz NWRZIVIBKYEUNA-OAHLLOKOSA-N -1 3 368.412 2.834 20 10 FFCDHM CCC1(c2ccccc2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000838188658 1026249535 /nfs/dbraw/zinc/24/95/35/1026249535.db2.gz CUEJOBRSGWSQRX-UHFFFAOYSA-N -1 3 374.462 2.568 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1[nH]nc2cccnc21 ZINC001153169167 1027790620 /nfs/dbraw/zinc/79/06/20/1027790620.db2.gz MDBZFILBZMFLGG-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM Nc1n[nH]c2cccc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])c12 ZINC001156747971 1029331323 /nfs/dbraw/zinc/33/13/23/1029331323.db2.gz QTPCHFDQLBDZIT-UHFFFAOYSA-N -1 3 367.796 2.982 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001142512779 1030563051 /nfs/dbraw/zinc/56/30/51/1030563051.db2.gz KNPUCDPYKNUBAZ-WDSOQIARSA-N -1 3 362.376 2.876 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001142517578 1030567342 /nfs/dbraw/zinc/56/73/42/1030567342.db2.gz SHTXCCVALPKWIA-LIRRHRJNSA-N -1 3 362.376 2.878 20 10 FFCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3c([O-])cccc3OC)C2)cc1 ZINC001142798058 1030894217 /nfs/dbraw/zinc/89/42/17/1030894217.db2.gz LMWGPYVEEHCKJR-AWEZNQCLSA-N -1 3 356.422 2.666 20 10 FFCDHM CC[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(F)cc1[O-] ZINC000796971043 1030970617 /nfs/dbraw/zinc/97/06/17/1030970617.db2.gz GILUBBFIFKVEOW-SFHVURJKSA-N -1 3 357.429 2.938 20 10 FFCDHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001205389078 1031705904 /nfs/dbraw/zinc/70/59/04/1031705904.db2.gz RWQYVYVKBYTQRB-NSHDSACASA-N -1 3 350.369 2.732 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cccc(F)c3[O-])CCO[C@@H]2C1 ZINC001138123812 1033799889 /nfs/dbraw/zinc/79/98/89/1033799889.db2.gz NBRMJWSNIZAFKD-GOEBONIOSA-N -1 3 366.433 2.599 20 10 FFCDHM Cc1cc(CC(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1ccccc1 ZINC000830895156 1033849825 /nfs/dbraw/zinc/84/98/25/1033849825.db2.gz YNFUNVNOQGSDRY-UHFFFAOYSA-N -1 3 362.433 2.717 20 10 FFCDHM C[C@]1(c2cccc(NC(=O)NCc3c([O-])cccc3F)c2)COC(=O)N1 ZINC001219966986 1033914516 /nfs/dbraw/zinc/91/45/16/1033914516.db2.gz YMNDKSSFOFPQSG-GOSISDBHSA-N -1 3 359.357 2.808 20 10 FFCDHM COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000834608139 1035416647 /nfs/dbraw/zinc/41/66/47/1035416647.db2.gz GWHADOSBDZUXHJ-ZDUSSCGKSA-N -1 3 370.405 2.597 20 10 FFCDHM CN(C)c1ccc(/C=C\CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000835024652 1035488943 /nfs/dbraw/zinc/48/89/43/1035488943.db2.gz AEIFLBLFYPICIA-ARJAWSKDSA-N -1 3 365.477 2.929 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2cnn(C)c21 ZINC001232260335 1035531450 /nfs/dbraw/zinc/53/14/50/1035531450.db2.gz VSHUNWSCPMEDQT-ZDUSSCGKSA-N -1 3 351.834 2.621 20 10 FFCDHM O=C(NCc1ccco1)C12CC(C1)CN2Cc1cc(Cl)c([O-])cc1O ZINC001232262049 1035533085 /nfs/dbraw/zinc/53/30/85/1035533085.db2.gz YMQQOXOWJVEMDO-UHFFFAOYSA-N -1 3 362.813 2.625 20 10 FFCDHM COc1cc([O-])c(CN2CC3CC2(C(=O)N2CCCC2)C3)cc1Cl ZINC001232266635 1035538477 /nfs/dbraw/zinc/53/84/77/1035538477.db2.gz YZIBULYQQANPNV-UHFFFAOYSA-N -1 3 350.846 2.641 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581267 1035661507 /nfs/dbraw/zinc/66/15/07/1035661507.db2.gz SWCCFJAHSXFPRX-UHFFFAOYSA-N -1 3 350.413 2.723 20 10 FFCDHM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(Cl)c1[O-] ZINC001277231232 1035666599 /nfs/dbraw/zinc/66/65/99/1035666599.db2.gz AASPXCHFMRYSOG-HFBAOOFYSA-N -1 3 350.846 2.588 20 10 FFCDHM O=C1N(CCn2ccnc2)CC[C@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277232433 1035680015 /nfs/dbraw/zinc/68/00/15/1035680015.db2.gz PUDDTJOEAXPXLN-LJQANCHMSA-N -1 3 374.872 2.509 20 10 FFCDHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c(F)c1[O-] ZINC001233077392 1036328421 /nfs/dbraw/zinc/32/84/21/1036328421.db2.gz ONXVXDDBIFDVRG-KGLIPLIRSA-N -1 3 365.405 2.616 20 10 FFCDHM Cc1cc(O[C@H]2CCOC[C@H]2F)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543021 1036733643 /nfs/dbraw/zinc/73/36/43/1036733643.db2.gz UDICYFLVIJHDPN-HIFRSBDPSA-N -1 3 356.349 2.982 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@]23CCN(CC(F)F)C3=O)c(Cl)c1 ZINC001277833252 1036932011 /nfs/dbraw/zinc/93/20/11/1036932011.db2.gz FPNFMZBSGHHJID-QGZVFWFLSA-N -1 3 374.815 2.886 20 10 FFCDHM COC[C@H]1c2nnn(C)c2CCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234987748 1037281138 /nfs/dbraw/zinc/28/11/38/1037281138.db2.gz JTWDUSAAULGBRR-IBGZPJMESA-N -1 3 364.449 2.934 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3cc(F)cc(Br)c3[O-])CC[C@@H]21 ZINC001235306447 1037464527 /nfs/dbraw/zinc/46/45/27/1037464527.db2.gz FQIPEKKVOABUNY-HZMBPMFUSA-N -1 3 371.250 2.737 20 10 FFCDHM COc1ccc(CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H](C)O)cc1 ZINC001231447501 1037585515 /nfs/dbraw/zinc/58/55/15/1037585515.db2.gz VRBQIMQUJCSXRJ-AWEZNQCLSA-N -1 3 359.422 2.525 20 10 FFCDHM COc1ccc(CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H](C)O)cc1 ZINC001231447501 1037585521 /nfs/dbraw/zinc/58/55/21/1037585521.db2.gz VRBQIMQUJCSXRJ-AWEZNQCLSA-N -1 3 359.422 2.525 20 10 FFCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445966 1037585891 /nfs/dbraw/zinc/58/58/91/1037585891.db2.gz DHAAJSNCXKRYIS-ZDUSSCGKSA-N -1 3 364.442 2.779 20 10 FFCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445966 1037585901 /nfs/dbraw/zinc/58/59/01/1037585901.db2.gz DHAAJSNCXKRYIS-ZDUSSCGKSA-N -1 3 364.442 2.779 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231450768 1037588519 /nfs/dbraw/zinc/58/85/19/1037588519.db2.gz TZIJDTVPKNRIRF-DZGCQCFKSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231450768 1037588529 /nfs/dbraw/zinc/58/85/29/1037588529.db2.gz TZIJDTVPKNRIRF-DZGCQCFKSA-N -1 3 362.426 2.532 20 10 FFCDHM C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455692 1037597890 /nfs/dbraw/zinc/59/78/90/1037597890.db2.gz UCFGMAYHQQITBX-IUODEOHRSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455692 1037597897 /nfs/dbraw/zinc/59/78/97/1037597897.db2.gz UCFGMAYHQQITBX-IUODEOHRSA-N -1 3 364.442 2.968 20 10 FFCDHM CCOC(=O)c1c2c(nn1C)CN(Cc1cc3ccccc3cc1[O-])C2 ZINC001236834672 1038297354 /nfs/dbraw/zinc/29/73/54/1038297354.db2.gz DDRIKWZWRXWYKQ-UHFFFAOYSA-N -1 3 351.406 2.971 20 10 FFCDHM CC(C)CN1C[C@@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278025665 1038344759 /nfs/dbraw/zinc/34/47/59/1038344759.db2.gz WNTWAJBBFVFDKB-SFHVURJKSA-N -1 3 370.852 2.644 20 10 FFCDHM COc1cc([O-])c(CN2C[C@H](CO)CC(F)(F)C2)c(Br)c1 ZINC001237061396 1038428273 /nfs/dbraw/zinc/42/82/73/1038428273.db2.gz GABGKEXNQCKIQO-SECBINFHSA-N -1 3 366.202 2.613 20 10 FFCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cc(OC)cc1Br ZINC001237064765 1038431667 /nfs/dbraw/zinc/43/16/67/1038431667.db2.gz ISNJBJCVQSYPKA-MGPLVRAMSA-N -1 3 370.243 2.691 20 10 FFCDHM CCCCN1CCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)C1=O ZINC001276605594 1038620658 /nfs/dbraw/zinc/62/06/58/1038620658.db2.gz LZIHOYMANCRVAQ-UHFFFAOYSA-N -1 3 360.454 2.705 20 10 FFCDHM CN(CC1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251409423 1039114582 /nfs/dbraw/zinc/11/45/82/1039114582.db2.gz TZCWIMBRAMTHJI-UHFFFAOYSA-N -1 3 367.298 2.661 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001278490905 1039879034 /nfs/dbraw/zinc/87/90/34/1039879034.db2.gz LPYFRPLNYCFXHR-GASCZTMLSA-N -1 3 359.857 2.792 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2O)c(F)cc1[N+](=O)[O-] ZINC001213415888 1040529950 /nfs/dbraw/zinc/52/99/50/1040529950.db2.gz ZYKRQUCAFLTJIB-SNVBAGLBSA-N -1 3 354.359 2.787 20 10 FFCDHM Cc1cc(CN2CCN(C(=O)C3CCC3)CC2)c([O-])cc1Br ZINC001250133956 1041126663 /nfs/dbraw/zinc/12/66/63/1041126663.db2.gz RYNAFDVDORBUQT-UHFFFAOYSA-N -1 3 367.287 2.907 20 10 FFCDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Br)ccc1[O-] ZINC001278565918 1041191657 /nfs/dbraw/zinc/19/16/57/1041191657.db2.gz VZOIZNJNLKIGBM-OKILXGFUSA-N -1 3 368.275 2.531 20 10 FFCDHM [O-]c1c(O)cc(-c2nc(-c3ccncc3Br)no2)cc1O ZINC001215328882 1041741030 /nfs/dbraw/zinc/74/10/30/1041741030.db2.gz UMDJMIITGPSEDT-UHFFFAOYSA-N -1 3 350.128 2.678 20 10 FFCDHM CN1CCO[C@@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)C1 ZINC001279332681 1043007076 /nfs/dbraw/zinc/00/70/76/1043007076.db2.gz XXIFXFJIFCAMPE-INIZCTEOSA-N -1 3 373.266 2.590 20 10 FFCDHM [O-]c1c(F)cccc1CN1C[C@@H]2OCCN(CCCC(F)(F)F)[C@H]2C1 ZINC001279525333 1043224420 /nfs/dbraw/zinc/22/44/20/1043224420.db2.gz NXAIXASXLDIXIH-GJZGRUSLSA-N -1 3 362.367 2.759 20 10 FFCDHM CC(C)(C)NC(=O)[C@H]1CC12CN(Cc1c([O-])cccc1Br)C2 ZINC001280312933 1044589388 /nfs/dbraw/zinc/58/93/88/1044589388.db2.gz IZSZFRQHEZWJTN-GFCCVEGCSA-N -1 3 367.287 2.891 20 10 FFCDHM CCN(CC)c1ccc(CN(C)C(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001317860079 1045154162 /nfs/dbraw/zinc/15/41/62/1045154162.db2.gz NRFNMTHWKTZUKM-UHFFFAOYSA-N -1 3 356.470 2.928 20 10 FFCDHM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001329382860 1048696103 /nfs/dbraw/zinc/69/61/03/1048696103.db2.gz ITBPGTZGKMYCSK-ZDUSSCGKSA-N -1 3 361.398 2.759 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001340357805 1050753265 /nfs/dbraw/zinc/75/32/65/1050753265.db2.gz RZMRQNUMOHETPA-YPMHNXCESA-N -1 3 371.466 2.896 20 10 FFCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)nnn1Cc1ccc(F)cc1 ZINC001303875928 1051463869 /nfs/dbraw/zinc/46/38/69/1051463869.db2.gz QUFIIPUEPDSCTB-UHFFFAOYSA-N -1 3 358.348 2.549 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2ccc(OCC(N)=O)cc2)c1 ZINC001308213742 1052431733 /nfs/dbraw/zinc/43/17/33/1052431733.db2.gz QDJKKAKHFMMTGG-UHFFFAOYSA-N -1 3 365.227 2.939 20 10 FFCDHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC001542940034 1071343554 /nfs/dbraw/zinc/34/35/54/1071343554.db2.gz GMEIFSTWESLHEG-QGZVFWFLSA-N -1 3 352.438 2.644 20 10 FFCDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472697596 1059104217 /nfs/dbraw/zinc/10/42/17/1059104217.db2.gz MDEBTIPSWGPUFR-OAHLLOKOSA-N -1 3 366.377 2.750 20 10 FFCDHM CC1(C)CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC001451529760 1059124419 /nfs/dbraw/zinc/12/44/19/1059124419.db2.gz WCZPRCATKSRFHA-GFCCVEGCSA-N -1 3 354.472 2.710 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1cccc(COCC2CC2)c1 ZINC001354551152 1059148953 /nfs/dbraw/zinc/14/89/53/1059148953.db2.gz QEKJGJRDIOFGFS-UHFFFAOYSA-N -1 3 372.396 2.713 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001456093811 1060009783 /nfs/dbraw/zinc/00/97/83/1060009783.db2.gz OHJMGRQQOKSUEU-NSHDSACASA-N -1 3 362.788 2.854 20 10 FFCDHM O=C(CNCc1cc(Cl)cc(F)c1[O-])Nc1ccc2c(c1)OCCO2 ZINC001461677741 1061375924 /nfs/dbraw/zinc/37/59/24/1061375924.db2.gz VRSBIHRRPOEYRM-UHFFFAOYSA-N -1 3 366.776 2.684 20 10 FFCDHM COC(=O)CN(Cc1cn2ccnc2s1)Cc1cc(Cl)ccc1[O-] ZINC001461974578 1061466093 /nfs/dbraw/zinc/46/60/93/1061466093.db2.gz MVKVQQBPUJRWKE-UHFFFAOYSA-N -1 3 365.842 2.930 20 10 FFCDHM COc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001464527412 1062666154 /nfs/dbraw/zinc/66/61/54/1062666154.db2.gz HZPJVWHMXNIKQD-AWEZNQCLSA-N -1 3 356.422 2.728 20 10 FFCDHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC001465206281 1063007144 /nfs/dbraw/zinc/00/71/44/1063007144.db2.gz CXSDNOHHHPEMJM-GOSISDBHSA-N -1 3 352.431 2.767 20 10 FFCDHM Cc1cc(NCc2ccc(N(C)C)cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581034259 1078908521 /nfs/dbraw/zinc/90/85/21/1078908521.db2.gz WEZCJSKHWXMCFX-UHFFFAOYSA-N -1 3 353.386 2.761 20 10 FFCDHM Cc1cc(NCc2ccc(N(C)C)cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581034259 1078908525 /nfs/dbraw/zinc/90/85/25/1078908525.db2.gz WEZCJSKHWXMCFX-UHFFFAOYSA-N -1 3 353.386 2.761 20 10 FFCDHM Cc1ncccc1C=CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001581556861 1078979140 /nfs/dbraw/zinc/97/91/40/1078979140.db2.gz BMRXJXVOLIIUAV-YVMONPNESA-N -1 3 354.801 2.900 20 10 FFCDHM Cc1ncccc1C=CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001581556861 1078979145 /nfs/dbraw/zinc/97/91/45/1078979145.db2.gz BMRXJXVOLIIUAV-YVMONPNESA-N -1 3 354.801 2.900 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001560929111 1076311096 /nfs/dbraw/zinc/31/10/96/1076311096.db2.gz NBVDWYNAXNNETB-AZUAARDMSA-N -1 3 360.404 2.756 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001567465682 1077030211 /nfs/dbraw/zinc/03/02/11/1077030211.db2.gz XSVTXKWBNOHTMD-CQSZACIVSA-N -1 3 355.312 2.663 20 10 FFCDHM C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963338 1080906444 /nfs/dbraw/zinc/90/64/44/1080906444.db2.gz WHKQUMLNWXHJRX-OUJBWJOFSA-N -1 3 371.363 2.723 20 10 FFCDHM Cc1ccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c([O-])c1O ZINC000373296711 512261750 /nfs/dbraw/zinc/26/17/50/512261750.db2.gz OUFZQRUMPMUYMH-UHFFFAOYSA-N -1 3 360.454 2.661 20 10 FFCDHM O=c1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)nc2sccn21 ZINC000070976268 507673457 /nfs/dbraw/zinc/67/34/57/507673457.db2.gz WVKDIBJCVOZBDH-MRXNPFEDSA-N -1 3 371.462 2.643 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373511876 512370655 /nfs/dbraw/zinc/37/06/55/512370655.db2.gz DGUWDBKZVRLMDW-FQEVSTJZSA-N -1 3 354.381 2.830 20 10 FFCDHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091981993 508029541 /nfs/dbraw/zinc/02/95/41/508029541.db2.gz KFOHIFJWBFSJJD-IUODEOHRSA-N -1 3 354.472 2.805 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CNC(=O)C(C)(C)C ZINC000075416926 508106624 /nfs/dbraw/zinc/10/66/24/508106624.db2.gz QOEHJJHWEVENSZ-UHFFFAOYSA-N -1 3 371.275 2.666 20 10 FFCDHM CCCOc1ccc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c([O-])c1 ZINC000093646992 508150495 /nfs/dbraw/zinc/15/04/95/508150495.db2.gz WGUFSHJIPXPNKC-WMZOPIPTSA-N -1 3 355.500 2.969 20 10 FFCDHM Cc1cc(Br)cc(CN2CCn3c(nnc3C3CC3)C2)c1[O-] ZINC000371424049 512393744 /nfs/dbraw/zinc/39/37/44/512393744.db2.gz FSUOEUAMNZVNJL-UHFFFAOYSA-N -1 3 363.259 2.948 20 10 FFCDHM O=Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[nH]1 ZINC000153990087 508693897 /nfs/dbraw/zinc/69/38/97/508693897.db2.gz PKNUTBSYHDSGCV-CQSZACIVSA-N -1 3 361.829 2.581 20 10 FFCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2C[C@H]1C ZINC000136487152 508697667 /nfs/dbraw/zinc/69/76/67/508697667.db2.gz ZZGOITKOLSZSCC-GFCCVEGCSA-N -1 3 360.435 2.799 20 10 FFCDHM O=C(Nc1nncs1)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000377715604 512416256 /nfs/dbraw/zinc/41/62/56/512416256.db2.gz KWTLMGFLRIAGJX-UHFFFAOYSA-N -1 3 352.847 2.748 20 10 FFCDHM CCS[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267360106 509466558 /nfs/dbraw/zinc/46/65/58/509466558.db2.gz PKKCBCXUKOQJRY-WCQYABFASA-N -1 3 372.512 2.558 20 10 FFCDHM CCO[C@@H]1C[C@@](NCc2cc(F)cc(C(C)=O)c2[O-])(C(=O)OC)C1(C)C ZINC000275529657 510902339 /nfs/dbraw/zinc/90/23/39/510902339.db2.gz KJJJUIYRKXVJMU-DNVCBOLYSA-N -1 3 367.417 2.570 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1ccnc1C ZINC000297332316 510906311 /nfs/dbraw/zinc/90/63/11/510906311.db2.gz GQCHUGMQPYOGEE-UHFFFAOYSA-N -1 3 352.232 2.708 20 10 FFCDHM C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998718 510951994 /nfs/dbraw/zinc/95/19/94/510951994.db2.gz YXIZGGINQUBULF-LRDDRELGSA-N -1 3 361.392 2.907 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[C@@H]1C(=O)OC ZINC000285626300 510982969 /nfs/dbraw/zinc/98/29/69/510982969.db2.gz KCMSUMUAJAJHMR-STQMWFEESA-N -1 3 370.243 2.702 20 10 FFCDHM Cn1cc([C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2CO)cn1 ZINC000278659158 511003608 /nfs/dbraw/zinc/00/36/08/511003608.db2.gz KITZEIGETACNBQ-JSGCOSHPSA-N -1 3 356.253 2.640 20 10 FFCDHM CC(C)Cn1cc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cn1 ZINC000285882219 511016409 /nfs/dbraw/zinc/01/64/09/511016409.db2.gz DFFCHAZSGIQTIW-UHFFFAOYSA-N -1 3 362.817 2.867 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](O)c1ccccn1 ZINC000279495547 511104086 /nfs/dbraw/zinc/10/40/86/511104086.db2.gz SBNBCYRXNZPBAW-OAHLLOKOSA-N -1 3 365.227 2.632 20 10 FFCDHM COc1c([O-])c(CN[C@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000290449587 511142259 /nfs/dbraw/zinc/14/22/59/511142259.db2.gz MGEQRXJDTWMODE-OAHLLOKOSA-N -1 3 363.389 2.841 20 10 FFCDHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2)CC1 ZINC000271924665 511372780 /nfs/dbraw/zinc/37/27/80/511372780.db2.gz VDKPWBZKKLGCIB-UHFFFAOYSA-N -1 3 361.419 2.706 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000283730664 511479345 /nfs/dbraw/zinc/47/93/45/511479345.db2.gz NZZPJYPYYMFJIC-INIZCTEOSA-N -1 3 365.437 2.525 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c([O-])c1O ZINC000272784949 511506668 /nfs/dbraw/zinc/50/66/68/511506668.db2.gz VXJOXHPCRUYETA-UHFFFAOYSA-N -1 3 369.421 2.748 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000273483200 511528862 /nfs/dbraw/zinc/52/88/62/511528862.db2.gz MMFZADTZXUQYGW-LLVKDONJSA-N -1 3 355.394 2.542 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000273536058 511530684 /nfs/dbraw/zinc/53/06/84/511530684.db2.gz XKJKFECOKREHBI-MEBBXXQBSA-N -1 3 351.349 2.841 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000296272358 511680532 /nfs/dbraw/zinc/68/05/32/511680532.db2.gz DRCAUXREHWIUGH-FNODVLLQSA-N -1 3 373.902 2.883 20 10 FFCDHM CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000365843360 511681681 /nfs/dbraw/zinc/68/16/81/511681681.db2.gz ZZHXZRMAUPWSRS-UHFFFAOYSA-N -1 3 364.833 2.720 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccc(CO)c1 ZINC000366000158 511776873 /nfs/dbraw/zinc/77/68/73/511776873.db2.gz JYYLPTZPRHHOPK-SFHVURJKSA-N -1 3 374.868 2.932 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293261975 511898896 /nfs/dbraw/zinc/89/88/96/511898896.db2.gz BZPDFCVEDZFTOU-AWEZNQCLSA-N -1 3 370.453 2.728 20 10 FFCDHM COc1cc(Cl)cc(CN2CCCN(C(=O)c3ccco3)CC2)c1[O-] ZINC000368706540 513068617 /nfs/dbraw/zinc/06/86/17/513068617.db2.gz GDZUADSZLFEYFX-UHFFFAOYSA-N -1 3 364.829 2.995 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821838945 607283171 /nfs/dbraw/zinc/28/31/71/607283171.db2.gz RIFXYKZAPNKHGU-NSHDSACASA-N -1 3 368.397 2.772 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821838945 607283172 /nfs/dbraw/zinc/28/31/72/607283172.db2.gz RIFXYKZAPNKHGU-NSHDSACASA-N -1 3 368.397 2.772 20 10 FFCDHM CCOCCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736617071 599285963 /nfs/dbraw/zinc/28/59/63/599285963.db2.gz XQGHEVRBCYNZMD-UHFFFAOYSA-N -1 3 369.425 2.858 20 10 FFCDHM CN(Cc1ccccc1O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736828219 598278129 /nfs/dbraw/zinc/27/81/29/598278129.db2.gz JGUWTWMCIJLMNB-UHFFFAOYSA-N -1 3 369.429 2.793 20 10 FFCDHM CN(Cc1ccccc1O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736828219 598278131 /nfs/dbraw/zinc/27/81/31/598278131.db2.gz JGUWTWMCIJLMNB-UHFFFAOYSA-N -1 3 369.429 2.793 20 10 FFCDHM COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737100285 598353132 /nfs/dbraw/zinc/35/31/32/598353132.db2.gz VSNWWROTVHBHIS-UHFFFAOYSA-N -1 3 350.426 2.956 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737106236 598782439 /nfs/dbraw/zinc/78/24/39/598782439.db2.gz QLAUXPHZIBSURP-SECBINFHSA-N -1 3 372.360 2.603 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737106236 598782440 /nfs/dbraw/zinc/78/24/40/598782440.db2.gz QLAUXPHZIBSURP-SECBINFHSA-N -1 3 372.360 2.603 20 10 FFCDHM Cc1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822399146 607404677 /nfs/dbraw/zinc/40/46/77/607404677.db2.gz ANIIZFMTJWGGFU-UTCJRWHESA-N -1 3 354.801 2.900 20 10 FFCDHM Cc1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822399146 607404679 /nfs/dbraw/zinc/40/46/79/607404679.db2.gz ANIIZFMTJWGGFU-UTCJRWHESA-N -1 3 354.801 2.900 20 10 FFCDHM O=C([O-])c1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c[nH]1 ZINC000833296684 601833584 /nfs/dbraw/zinc/83/35/84/601833584.db2.gz PQQCOKLUDSYWSV-OAHLLOKOSA-N -1 3 363.845 2.826 20 10 FFCDHM C[C@@H](c1ccccc1)[N@H+](CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1[O-] ZINC000833549235 605077585 /nfs/dbraw/zinc/07/75/85/605077585.db2.gz PQPGBJLDZJBRMK-INIZCTEOSA-N -1 3 370.449 2.889 20 10 FFCDHM C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1[O-] ZINC000833549235 605077592 /nfs/dbraw/zinc/07/75/92/605077592.db2.gz PQPGBJLDZJBRMK-INIZCTEOSA-N -1 3 370.449 2.889 20 10 FFCDHM Cc1cc(C(=O)N2CCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168899 606438774 /nfs/dbraw/zinc/43/87/74/606438774.db2.gz VEMZWKKJXLDEIR-GFCCVEGCSA-N -1 3 350.426 2.899 20 10 FFCDHM [O-]c1c(Cl)cccc1CN1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510879 608590432 /nfs/dbraw/zinc/59/04/32/608590432.db2.gz PGAFFEJGBJZBFR-INIZCTEOSA-N -1 3 371.828 2.799 20 10 FFCDHM COc1ccc(N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000826208932 609173822 /nfs/dbraw/zinc/17/38/22/609173822.db2.gz GLPIWLMTMIRKJB-UHFFFAOYSA-N -1 3 369.816 2.813 20 10 FFCDHM COc1ccc(N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000826208932 609173824 /nfs/dbraw/zinc/17/38/24/609173824.db2.gz GLPIWLMTMIRKJB-UHFFFAOYSA-N -1 3 369.816 2.813 20 10 FFCDHM COCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cs1 ZINC000744402732 735353041 /nfs/dbraw/zinc/35/30/41/735353041.db2.gz RQZUEMMUOKQMIJ-UHFFFAOYSA-N -1 3 370.858 2.824 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccccc1F ZINC000111238321 728535456 /nfs/dbraw/zinc/53/54/56/728535456.db2.gz DCPSGBPBNBOIHS-QGZVFWFLSA-N -1 3 367.804 2.893 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)cc1 ZINC000111238368 728535468 /nfs/dbraw/zinc/53/54/68/728535468.db2.gz GTYBLFQAYYFRTP-KRWDZBQOSA-N -1 3 367.804 2.893 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccccc1F ZINC000111238319 728535473 /nfs/dbraw/zinc/53/54/73/728535473.db2.gz DCPSGBPBNBOIHS-KRWDZBQOSA-N -1 3 367.804 2.893 20 10 FFCDHM [O-]c1cccc(Br)c1CN[C@]1(CO)CCOc2ccccc21 ZINC000858161568 730418253 /nfs/dbraw/zinc/41/82/53/730418253.db2.gz BHBZOEYEJKKXQA-KRWDZBQOSA-N -1 3 364.239 2.915 20 10 FFCDHM O=C(C1CC1)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862334545 730689589 /nfs/dbraw/zinc/68/95/89/730689589.db2.gz PRGSZYSUSSGHBG-UHFFFAOYSA-N -1 3 353.260 2.599 20 10 FFCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)S1(=O)=O ZINC000862366465 730692258 /nfs/dbraw/zinc/69/22/58/730692258.db2.gz ITYGSXLNQWBOAB-MNOVXSKESA-N -1 3 362.289 2.552 20 10 FFCDHM COc1c([O-])c(CNc2ccc(C)c(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000775055292 738057507 /nfs/dbraw/zinc/05/75/07/738057507.db2.gz BMSKKFLJQMUVGH-UHFFFAOYSA-N -1 3 366.395 2.633 20 10 FFCDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781908411 738671025 /nfs/dbraw/zinc/67/10/25/738671025.db2.gz ISKNRTDUTLDHEG-LLVKDONJSA-N -1 3 364.305 2.718 20 10 FFCDHM [O-]c1c(F)cc(F)cc1CNCc1cc(F)ccc1N1CCOCC1 ZINC000883016557 733321106 /nfs/dbraw/zinc/32/11/06/733321106.db2.gz DJYVUABJMTXIOO-UHFFFAOYSA-N -1 3 352.356 2.936 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000893995361 734783960 /nfs/dbraw/zinc/78/39/60/734783960.db2.gz VLGTVFVHIUCVQI-SNVBAGLBSA-N -1 3 360.223 2.879 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928359923 738861936 /nfs/dbraw/zinc/86/19/36/738861936.db2.gz XRTUGJSIQRJIAY-LLVKDONJSA-N -1 3 364.199 2.628 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cccnc1Cl ZINC000738354371 735028778 /nfs/dbraw/zinc/02/87/78/735028778.db2.gz FSXIZZXBCAWULL-UHFFFAOYSA-N -1 3 351.859 2.814 20 10 FFCDHM CC[C@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000739962699 735063910 /nfs/dbraw/zinc/06/39/10/735063910.db2.gz OFRJBAZJNGFDPC-XJKSGUPXSA-N -1 3 374.934 2.976 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)NCc2cccs2)c1[O-] ZINC000750820772 735817860 /nfs/dbraw/zinc/81/78/60/735817860.db2.gz SHKQCTQFQBZJIO-UHFFFAOYSA-N -1 3 350.415 2.544 20 10 FFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1O ZINC000775291458 738079864 /nfs/dbraw/zinc/07/98/64/738079864.db2.gz HJKHGEYOLDLXCM-UHFFFAOYSA-N -1 3 365.407 2.610 20 10 FFCDHM [O-]c1c(Br)cccc1CNC1(c2ncccn2)CCOCC1 ZINC000923009523 738230218 /nfs/dbraw/zinc/23/02/18/738230218.db2.gz KQYLIIXTTPOVFW-UHFFFAOYSA-N -1 3 364.243 2.740 20 10 FFCDHM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1c([O-])cccc1F ZINC000928705818 738897743 /nfs/dbraw/zinc/89/77/43/738897743.db2.gz NPERBUUZFNSOTP-UHFFFAOYSA-N -1 3 359.323 2.766 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000928710840 738898279 /nfs/dbraw/zinc/89/82/79/738898279.db2.gz WTDGUPKPQBMYSV-SECBINFHSA-N -1 3 357.307 2.940 20 10 FFCDHM CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710868 738898606 /nfs/dbraw/zinc/89/86/06/738898606.db2.gz WXBMFBJGNFNVAP-UHFFFAOYSA-N -1 3 352.406 2.795 20 10 FFCDHM CCC1(CC)CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCS1(=O)=O ZINC000778489698 738387959 /nfs/dbraw/zinc/38/79/59/738387959.db2.gz ZZZOJPDPBJUWGC-UHFFFAOYSA-N -1 3 357.447 2.523 20 10 FFCDHM COc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1OC(F)F ZINC000790532692 739466457 /nfs/dbraw/zinc/46/64/57/739466457.db2.gz ODOXKGZRSOTUST-UHFFFAOYSA-N -1 3 353.321 2.980 20 10 FFCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1ccc(OC)c(O)c1 ZINC000792180601 739647729 /nfs/dbraw/zinc/64/77/29/739647729.db2.gz LYABXFZWZWPOEA-MRXNPFEDSA-N -1 3 351.786 2.764 20 10 FFCDHM COC(=O)C1(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000793417429 739779299 /nfs/dbraw/zinc/77/92/99/739779299.db2.gz VWLMFAIZJFAIAC-UHFFFAOYSA-N -1 3 361.847 2.911 20 10 FFCDHM O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccoc1 ZINC000795851123 740071065 /nfs/dbraw/zinc/07/10/65/740071065.db2.gz ASPCVORWTHKHDR-AWEZNQCLSA-N -1 3 370.858 2.582 20 10 FFCDHM COc1cc(NCc2c([O-])cccc2Cl)ccc1S(=O)(=O)N(C)C ZINC000802646263 740714537 /nfs/dbraw/zinc/71/45/37/740714537.db2.gz FBLRZFCDKXLRGP-UHFFFAOYSA-N -1 3 370.858 2.917 20 10 FFCDHM CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000824627674 743118764 /nfs/dbraw/zinc/11/87/64/743118764.db2.gz SAPOUDLCLFOLHQ-AWEZNQCLSA-N -1 3 355.276 2.988 20 10 FFCDHM Cc1nccc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000825513352 743284769 /nfs/dbraw/zinc/28/47/69/743284769.db2.gz HVFCPNVZYAJMTK-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCCOC2)O1 ZINC000825752407 743322868 /nfs/dbraw/zinc/32/28/68/743322868.db2.gz ACXJIEGHAKLIAV-MLGOLLRUSA-N -1 3 356.260 2.925 20 10 FFCDHM COc1c([O-])c(CN[C@@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000843429615 747835894 /nfs/dbraw/zinc/83/58/94/747835894.db2.gz IAFCYDQKRQGRIB-AWEZNQCLSA-N -1 3 350.346 2.661 20 10 FFCDHM C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(Br)cc1[O-] ZINC000848557797 748960172 /nfs/dbraw/zinc/96/01/72/748960172.db2.gz LMJJTFIXNKHRQQ-ZANVPECISA-N -1 3 367.247 2.975 20 10 FFCDHM CC[C@H]([NH2+]Cc1nnc(COC)[n-]1)c1cc(Br)ccc1[O-] ZINC000850512900 749378657 /nfs/dbraw/zinc/37/86/57/749378657.db2.gz BUVNWXPAYJKLQO-NSHDSACASA-N -1 3 355.236 2.660 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N3CCOC3=O)CC2)c1[O-] ZINC000852722854 749932711 /nfs/dbraw/zinc/93/27/11/749932711.db2.gz IYPSQLQJFJPULX-UHFFFAOYSA-N -1 3 352.818 2.665 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 ZINC000853027750 749987789 /nfs/dbraw/zinc/98/77/89/749987789.db2.gz FZNCQCAQPKBNEX-UHFFFAOYSA-N -1 3 360.435 2.618 20 10 FFCDHM O=C1COCC2(CN(Cc3c([O-])cccc3Cl)C2)N1CC1CCCC1 ZINC001275841643 1013072132 /nfs/dbraw/zinc/07/21/32/1013072132.db2.gz ABBROZAFGPYVBU-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(Cl)cc1[O-] ZINC001275892862 1013149798 /nfs/dbraw/zinc/14/97/98/1013149798.db2.gz LIQWLEKJDOBHNH-ORAYPTAESA-N -1 3 364.873 2.980 20 10 FFCDHM COc1ccc(CNCc2ccccc2C(=O)[O-])cc1Cn1cccn1 ZINC001594095804 958398794 /nfs/dbraw/zinc/39/87/94/958398794.db2.gz AUYUNZLMQFUJHO-UHFFFAOYSA-N -1 3 351.406 2.928 20 10 FFCDHM COC(C)(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cccc1F ZINC001276038383 1013350270 /nfs/dbraw/zinc/35/02/70/1013350270.db2.gz VECUVUFHZHTQAH-FQEVSTJZSA-N -1 3 364.461 2.913 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)C3CCCCC3)CC2)c1[O-] ZINC000177269017 969152812 /nfs/dbraw/zinc/15/28/12/969152812.db2.gz DYAQGONPVMOQLR-UHFFFAOYSA-N -1 3 362.445 2.958 20 10 FFCDHM CC(C)(C)NC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271159411 970685700 /nfs/dbraw/zinc/68/57/00/970685700.db2.gz WBVSWJJVNZFDSJ-VLIAUNLRSA-N -1 3 360.454 2.645 20 10 FFCDHM COC(=O)c1ccccc1N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527580 982581341 /nfs/dbraw/zinc/58/13/41/982581341.db2.gz ZUGOEGDSHGDTQY-UHFFFAOYSA-N -1 3 362.376 2.779 20 10 FFCDHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cccc(O)c1[O-] ZINC000760660098 984323639 /nfs/dbraw/zinc/32/36/39/984323639.db2.gz PTULDGIJWXESLJ-XLIONFOSSA-N -1 3 359.397 2.741 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000171864497 985423420 /nfs/dbraw/zinc/42/34/20/985423420.db2.gz GDWCTBCXEIRBHY-UHFFFAOYSA-N -1 3 350.422 2.699 20 10 FFCDHM CN(C)c1cc(F)c(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cc1F ZINC001598305498 991260265 /nfs/dbraw/zinc/26/02/65/991260265.db2.gz IBFXZAHTNVXEMR-IBGZPJMESA-N -1 3 368.424 2.613 20 10 FFCDHM CN(C)c1ccc(/C=C/CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)cc1 ZINC001598314459 991297864 /nfs/dbraw/zinc/29/78/64/991297864.db2.gz TYQVYDBVYMLEPA-HWKANZROSA-N -1 3 358.482 2.848 20 10 FFCDHM C[C@@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)N1[C@H](C)CC[C@H]1C ZINC001594300724 999161381 /nfs/dbraw/zinc/16/13/81/999161381.db2.gz WHMCQAPWKBAUCH-UPJWGTAASA-N -1 3 368.861 2.720 20 10 FFCDHM CC(=O)N[C@H](CC(C)C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144697233 1000198631 /nfs/dbraw/zinc/19/86/31/1000198631.db2.gz VWMQOOFYRWWCJZ-OAHLLOKOSA-N -1 3 363.845 2.761 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001148583123 1001175324 /nfs/dbraw/zinc/17/53/24/1001175324.db2.gz UKBZQFKTOLYTTO-KKSFZXQISA-N -1 3 369.417 2.982 20 10 FFCDHM COc1ccccc1CC1(CNC(=O)c2cc(O)c([O-])c(O)c2)CCC1 ZINC001148591027 1001176916 /nfs/dbraw/zinc/17/69/16/1001176916.db2.gz RIMHTRCFVDJBOF-UHFFFAOYSA-N -1 3 357.406 2.955 20 10 FFCDHM C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(F)cc(F)c1[O-] ZINC000788608557 1001824980 /nfs/dbraw/zinc/82/49/80/1001824980.db2.gz JVZOLZNKHANOOW-NSHDSACASA-N -1 3 361.392 2.687 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H](O)Cc1ccc(O)cc1 ZINC001183904643 1002424535 /nfs/dbraw/zinc/42/45/35/1002424535.db2.gz WWZAIHNUBHZLRA-MRXNPFEDSA-N -1 3 372.808 2.519 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000790927929 1002512974 /nfs/dbraw/zinc/51/29/74/1002512974.db2.gz NBNDMZZQXITOKC-UHFFFAOYSA-N -1 3 353.353 2.621 20 10 FFCDHM CC(C)(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OCc1ccccc1 ZINC000790917088 1002518811 /nfs/dbraw/zinc/51/88/11/1002518811.db2.gz QRNGDWXPFXBCEU-QGZVFWFLSA-N -1 3 357.406 2.986 20 10 FFCDHM COc1c([O-])c(CN2CCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000774821794 1002810233 /nfs/dbraw/zinc/81/02/33/1002810233.db2.gz UIEGROVNFXAIFP-UHFFFAOYSA-N -1 3 361.373 2.770 20 10 FFCDHM O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(O)c([O-])c1Cl ZINC001193236862 1004413003 /nfs/dbraw/zinc/41/30/03/1004413003.db2.gz RZMYBDPEZPDERX-UHFFFAOYSA-N -1 3 368.861 2.516 20 10 FFCDHM COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C(C)=O)c([O-])c3)C2)cc1 ZINC000855225408 1007190435 /nfs/dbraw/zinc/19/04/35/1007190435.db2.gz MUPRSIRSUUOTQV-OAHLLOKOSA-N -1 3 354.406 2.612 20 10 FFCDHM C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1[O-] ZINC000858564874 1008383361 /nfs/dbraw/zinc/38/33/61/1008383361.db2.gz XDGMTEGHGPTCLM-SNVBAGLBSA-N -1 3 364.348 2.731 20 10 FFCDHM CCOC(CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])OCC ZINC001181795629 1010248597 /nfs/dbraw/zinc/24/85/97/1010248597.db2.gz PRQIUKCRHJRWBJ-UHFFFAOYSA-N -1 3 352.818 2.999 20 10 FFCDHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(O)c(O)c3)cc2)cc(=O)[n-]1 ZINC000749022364 1017937261 /nfs/dbraw/zinc/93/72/61/1017937261.db2.gz QNYLJTHDMKWWIU-UHFFFAOYSA-N -1 3 366.377 2.891 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CCC[NH2+]CC3)c1C2=O ZINC001217995668 1032940185 /nfs/dbraw/zinc/94/01/85/1032940185.db2.gz RLQAHIPBERGHSV-CYBMUJFWSA-N -1 3 367.401 2.703 20 10 FFCDHM O=C(c1ccccc1)N1CCO[C@@H]2CN(Cc3c([O-])cccc3F)C[C@@H]2C1 ZINC001137835606 1033174464 /nfs/dbraw/zinc/17/44/64/1033174464.db2.gz KWBBYKTYOKNWPW-OXQOHEQNSA-N -1 3 370.424 2.504 20 10 FFCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000779645355 1024345930 /nfs/dbraw/zinc/34/59/30/1024345930.db2.gz XFQOZKWQPCDZJT-CHWSQXEVSA-N -1 3 364.442 2.863 20 10 FFCDHM O=C1NCC[C@@]12CCCN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141369368 1026050428 /nfs/dbraw/zinc/05/04/28/1026050428.db2.gz QLAHKHBKRBNBHU-OAHLLOKOSA-N -1 3 373.678 2.910 20 10 FFCDHM COCCN(Cc1c(C)nn(C)c1C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000839124395 1026595614 /nfs/dbraw/zinc/59/56/14/1026595614.db2.gz XIIVJJAUKCLECP-UHFFFAOYSA-N -1 3 363.433 2.733 20 10 FFCDHM O=C(NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1)N1CCCCC1 ZINC001142530203 1030579357 /nfs/dbraw/zinc/57/93/57/1030579357.db2.gz AHRKDYGSQKMPND-UHFFFAOYSA-N -1 3 353.413 2.830 20 10 FFCDHM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC001203659389 1030814803 /nfs/dbraw/zinc/81/48/03/1030814803.db2.gz ULEYTVAXBFBEPP-XGWLTEMNSA-N -1 3 352.862 2.550 20 10 FFCDHM CCOc1ccccc1CN1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000799762539 1031871789 /nfs/dbraw/zinc/87/17/89/1031871789.db2.gz DJPHGBJODKZSFE-OAHLLOKOSA-N -1 3 370.449 2.843 20 10 FFCDHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276947899 1033722943 /nfs/dbraw/zinc/72/29/43/1033722943.db2.gz CTIRFYRKOIFQMU-KRWDZBQOSA-N -1 3 360.351 2.893 20 10 FFCDHM O=C(NCc1cccc(Cn2ccnc2)c1)NCc1c([O-])cccc1F ZINC001220507598 1034228751 /nfs/dbraw/zinc/22/87/51/1034228751.db2.gz ASTKTCFTPGJTAU-UHFFFAOYSA-N -1 3 354.385 2.776 20 10 FFCDHM CCOC(=O)[C@@H](CC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380291 1034659855 /nfs/dbraw/zinc/65/98/55/1034659855.db2.gz QTAWCVNVJHKUBN-CQSZACIVSA-N -1 3 354.358 2.888 20 10 FFCDHM CCOC(=O)C1CC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226379801 1034660173 /nfs/dbraw/zinc/66/01/73/1034660173.db2.gz JFJOFOXYNJYSDT-UHFFFAOYSA-N -1 3 366.369 2.888 20 10 FFCDHM COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(F)ccc1[O-] ZINC001140058202 1035325735 /nfs/dbraw/zinc/32/57/35/1035325735.db2.gz UDQROSSTGNXLEK-HNNXBMFYSA-N -1 3 354.422 2.599 20 10 FFCDHM COCc1noc2c1CN(Cc1c([O-])cccc1Br)CC2 ZINC001140099604 1035342206 /nfs/dbraw/zinc/34/22/06/1035342206.db2.gz MMAVTDGOANRVRG-UHFFFAOYSA-N -1 3 353.216 2.847 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001140465090 1035485719 /nfs/dbraw/zinc/48/57/19/1035485719.db2.gz HZNMJWPBOYSSPO-UHFFFAOYSA-N -1 3 357.845 2.893 20 10 FFCDHM O=C(Cc1ccccc1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262423 1035534242 /nfs/dbraw/zinc/53/42/42/1035534242.db2.gz GWKLOBUUFHRBSS-UHFFFAOYSA-N -1 3 360.841 2.638 20 10 FFCDHM COc1cc([O-])c(CN2CCCN(C(=O)c3ccco3)CC2)cc1Cl ZINC001232269723 1035541622 /nfs/dbraw/zinc/54/16/22/1035541622.db2.gz IWYJCHTWXAHKOY-UHFFFAOYSA-N -1 3 364.829 2.995 20 10 FFCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]2C1 ZINC001140581132 1035661115 /nfs/dbraw/zinc/66/11/15/1035661115.db2.gz QTJAPUPZCDNPJU-BETUJISGSA-N -1 3 364.417 2.936 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001140580815 1035662268 /nfs/dbraw/zinc/66/22/68/1035662268.db2.gz GWKMQLIUCMPVEA-KXBFYZLASA-N -1 3 362.376 2.878 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277232703 1035681909 /nfs/dbraw/zinc/68/19/09/1035681909.db2.gz XNKQDVKOEHETRS-ACJLOTCBSA-N -1 3 352.862 2.647 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@]23CCN(CC(F)F)C3=O)cc1Cl ZINC001277666325 1035694015 /nfs/dbraw/zinc/69/40/15/1035694015.db2.gz OWDVUSZRNWVOHV-KRWDZBQOSA-N -1 3 374.815 2.886 20 10 FFCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC(C)(O)C3)c2)nc1C ZINC001232452694 1035696587 /nfs/dbraw/zinc/69/65/87/1035696587.db2.gz ZGPOUOUAKQWZHC-UHFFFAOYSA-N -1 3 362.451 2.567 20 10 FFCDHM CC(=O)N1CCC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CC1 ZINC001227937204 1035821501 /nfs/dbraw/zinc/82/15/01/1035821501.db2.gz FLPKAODXJHXBGD-UHFFFAOYSA-N -1 3 355.390 2.719 20 10 FFCDHM COC(=O)[C@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(F)(F)F ZINC001227937888 1035822975 /nfs/dbraw/zinc/82/29/75/1035822975.db2.gz OUHADUQKEVKUNO-HNNXBMFYSA-N -1 3 370.279 2.812 20 10 FFCDHM [O-]c1cc(I)ccc1CN1C[C@@H](F)C[C@H]1CF ZINC001232974356 1036206317 /nfs/dbraw/zinc/20/63/17/1036206317.db2.gz LKVSCTAOAADGJF-ONGXEEELSA-N -1 3 353.150 2.879 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](OC)C[C@@H]2C)c1 ZINC001233309483 1036515291 /nfs/dbraw/zinc/51/52/91/1036515291.db2.gz LKANGEKDXBPXPU-GXFFZTMASA-N -1 3 372.259 2.941 20 10 FFCDHM CC1=C[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC(=O)O1 ZINC001229186580 1036537546 /nfs/dbraw/zinc/53/75/46/1036537546.db2.gz MDFMKBGLJAVSFQ-LLVKDONJSA-N -1 3 350.326 2.766 20 10 FFCDHM Cc1cc(OC(=O)CCC[C@H](C)O)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229540169 1036729704 /nfs/dbraw/zinc/72/97/04/1036729704.db2.gz BYMPXWZXXPQXTH-LBPRGKRZSA-N -1 3 368.385 2.933 20 10 FFCDHM O=C1N(C2COC2)CC[C@]12CCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277830333 1036910037 /nfs/dbraw/zinc/91/00/37/1036910037.db2.gz PXYQMFUJMLCTIM-QGZVFWFLSA-N -1 3 371.264 2.665 20 10 FFCDHM CC1=C[C@@H](Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)CC(=O)O1 ZINC001234748577 1037164323 /nfs/dbraw/zinc/16/43/23/1037164323.db2.gz KSWLQACYZQISGK-SNVBAGLBSA-N -1 3 370.313 2.661 20 10 FFCDHM COC(=O)[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC12CC2 ZINC001235075057 1037345877 /nfs/dbraw/zinc/34/58/77/1037345877.db2.gz ISALQBZLPQEGGQ-LLVKDONJSA-N -1 3 358.207 2.679 20 10 FFCDHM Cc1noc([C@H]2CCN(Cc3cc(F)cc(Br)c3[O-])C2)n1 ZINC001235305607 1037464504 /nfs/dbraw/zinc/46/45/04/1037464504.db2.gz OUIQDVGHBIVZCB-VIFPVBQESA-N -1 3 356.195 2.975 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(C(=O)[O-])cc1O)[C@@H]2C ZINC001231449759 1037587464 /nfs/dbraw/zinc/58/74/64/1037587464.db2.gz KJRWXCPEHJMMRF-CQSZACIVSA-N -1 3 372.469 2.704 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451889 1037592278 /nfs/dbraw/zinc/59/22/78/1037592278.db2.gz YEBXUWSWUIJNQR-GOEBONIOSA-N -1 3 373.478 2.643 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451889 1037592290 /nfs/dbraw/zinc/59/22/90/1037592290.db2.gz YEBXUWSWUIJNQR-GOEBONIOSA-N -1 3 373.478 2.643 20 10 FFCDHM CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231562893 1037687394 /nfs/dbraw/zinc/68/73/94/1037687394.db2.gz AMUKPQKIPGJJGL-QGZVFWFLSA-N -1 3 363.454 2.746 20 10 FFCDHM CCOC(=O)c1c2c(nn1C)CN(Cc1c([O-])ccc3ccccc31)C2 ZINC001231590862 1037708531 /nfs/dbraw/zinc/70/85/31/1037708531.db2.gz IWMDTJPUAUDOKW-UHFFFAOYSA-N -1 3 351.406 2.971 20 10 FFCDHM Cc1cc([O-])c(C[NH+]2CCC([N-]C(=O)C(F)(F)F)CC2)cc1Cl ZINC001231870744 1037967409 /nfs/dbraw/zinc/96/74/09/1037967409.db2.gz RHKMLKWMPBQJEB-UHFFFAOYSA-N -1 3 350.768 2.997 20 10 FFCDHM CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2[O-])O1 ZINC001236793767 1038275164 /nfs/dbraw/zinc/27/51/64/1038275164.db2.gz PUYKCWDOTCWXPQ-BMFZPTHFSA-N -1 3 373.280 2.955 20 10 FFCDHM COc1cnc(O[C@@H]2CCN(Cc3ccc(OC)c(Cl)c3[O-])C2)nc1 ZINC001236810282 1038286507 /nfs/dbraw/zinc/28/65/07/1038286507.db2.gz RJDBLFXVCJDYRW-GFCCVEGCSA-N -1 3 365.817 2.506 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)C[C@@]2(C)CO)c(Br)c1 ZINC001237061764 1038430535 /nfs/dbraw/zinc/43/05/35/1038430535.db2.gz HDGMSMZLRFDVOZ-ZDUSSCGKSA-N -1 3 366.202 2.755 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)C[C@]2(C)CO)c(Br)c1 ZINC001237061761 1038430548 /nfs/dbraw/zinc/43/05/48/1038430548.db2.gz HDGMSMZLRFDVOZ-CYBMUJFWSA-N -1 3 366.202 2.755 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC001251150109 1038969280 /nfs/dbraw/zinc/96/92/80/1038969280.db2.gz XEMVUSNICIUZGX-STQMWFEESA-N -1 3 371.412 2.697 20 10 FFCDHM COc1ccc(OCCCS(=O)(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC001259648152 1040134299 /nfs/dbraw/zinc/13/42/99/1040134299.db2.gz FQXMMOHLYCQCGV-UHFFFAOYSA-N -1 3 355.387 2.751 20 10 FFCDHM COc1cc([O-])c(CN2CC3(CCC3)C2)cc1I ZINC001248462238 1040287359 /nfs/dbraw/zinc/28/73/59/1040287359.db2.gz RNQZYQDIFNHUAN-UHFFFAOYSA-N -1 3 359.207 2.991 20 10 FFCDHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2c([O-])cc(F)cc2F)n(C)n1 ZINC001278606387 1041398880 /nfs/dbraw/zinc/39/88/80/1041398880.db2.gz YVOLCZOIYSNBPO-ROUUACIJSA-N -1 3 362.424 2.561 20 10 FFCDHM Cc1cc(C)n(-c2ccc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)cn2)n1 ZINC001215328953 1041741274 /nfs/dbraw/zinc/74/12/74/1041741274.db2.gz VZONGTSUMOSRGY-UHFFFAOYSA-N -1 3 365.349 2.718 20 10 FFCDHM Cc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])[C@@H]2C1 ZINC001279261350 1042971739 /nfs/dbraw/zinc/97/17/39/1042971739.db2.gz OWVBCRDBKDGOML-GOEBONIOSA-N -1 3 373.478 2.562 20 10 FFCDHM Cc1ncsc1CN1C[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])[C@@H]2C1 ZINC001279261350 1042971740 /nfs/dbraw/zinc/97/17/40/1042971740.db2.gz OWVBCRDBKDGOML-GOEBONIOSA-N -1 3 373.478 2.562 20 10 FFCDHM Cc1cc([O-])c(CN2CCN3CC(F)(F)C[C@H]3C2)cc1Br ZINC001237682271 1043309664 /nfs/dbraw/zinc/30/96/64/1043309664.db2.gz PIBYPNDQFFUNSV-LBPRGKRZSA-N -1 3 361.230 2.988 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001237777957 1043350331 /nfs/dbraw/zinc/35/03/31/1043350331.db2.gz QPUMDJPDHIEQJT-RISCZKNCSA-N -1 3 373.234 2.998 20 10 FFCDHM CC(=O)C1CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237781186 1043354123 /nfs/dbraw/zinc/35/41/23/1043354123.db2.gz TVIQYFFEKWRCMV-UHFFFAOYSA-N -1 3 359.207 2.798 20 10 FFCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)cc(S(C)(=O)=O)c1 ZINC001311146025 1043819137 /nfs/dbraw/zinc/81/91/37/1043819137.db2.gz IOTRBCRMUAWRKT-UHFFFAOYSA-N -1 3 352.387 2.565 20 10 FFCDHM O=C([C@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2)N1CC(F)(C2CC2)C1 ZINC001279983078 1044033676 /nfs/dbraw/zinc/03/36/76/1044033676.db2.gz DQQXEDGSRORCOU-OAHLLOKOSA-N -1 3 364.848 2.828 20 10 FFCDHM CCNC(=O)N1CCc2ccc(NC(=O)NCc3c([O-])cccc3F)cc21 ZINC001333408202 1048887535 /nfs/dbraw/zinc/88/75/35/1048887535.db2.gz DSNCAAUWDROTPE-UHFFFAOYSA-N -1 3 372.400 2.945 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CCCCCO ZINC001341731817 1050350048 /nfs/dbraw/zinc/35/00/48/1050350048.db2.gz GYPMZQSVSVCRGV-UHFFFAOYSA-N -1 3 361.471 2.879 20 10 FFCDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC001350309941 1055717143 /nfs/dbraw/zinc/71/71/43/1055717143.db2.gz OJRKBBWQUUHSMP-LBPRGKRZSA-N -1 3 350.325 2.660 20 10 FFCDHM COC(=O)C(C)(C)c1csc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001466640104 1063502656 /nfs/dbraw/zinc/50/26/56/1063502656.db2.gz UQCZZWAQKXMQIO-UHFFFAOYSA-N -1 3 367.402 2.760 20 10 FFCDHM CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001474486849 1065533000 /nfs/dbraw/zinc/53/30/00/1065533000.db2.gz XOCYCFQQJWWGIT-UHFFFAOYSA-N -1 3 364.833 2.720 20 10 FFCDHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001474731422 1065592934 /nfs/dbraw/zinc/59/29/34/1065592934.db2.gz IRYHDAYEXFJIRY-GOSISDBHSA-N -1 3 372.412 2.522 20 10 FFCDHM COC(=O)c1cnc(SCc2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC001579492217 1078636344 /nfs/dbraw/zinc/63/63/44/1078636344.db2.gz YQJRBPVOBXLYFI-UHFFFAOYSA-N -1 3 351.388 2.541 20 10 FFCDHM COC(=O)c1cnc(SCc2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC001579492217 1078636348 /nfs/dbraw/zinc/63/63/48/1078636348.db2.gz YQJRBPVOBXLYFI-UHFFFAOYSA-N -1 3 351.388 2.541 20 10 FFCDHM O=C(NCc1nc2ccc(Br)cc2o1)c1cccc(O)c1[O-] ZINC001557259109 1075829349 /nfs/dbraw/zinc/82/93/49/1075829349.db2.gz IJVWTKCPBDKVFV-UHFFFAOYSA-N -1 3 363.167 2.932 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2cccc(Br)c2)c1 ZINC001560395860 1076270617 /nfs/dbraw/zinc/27/06/17/1076270617.db2.gz CUPVEABJRRSTEJ-AWEZNQCLSA-N -1 3 367.199 2.886 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955869 1080902050 /nfs/dbraw/zinc/90/20/50/1080902050.db2.gz NDYKXJQSJJUGDK-MGPLVRAMSA-N -1 3 366.381 2.819 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955869 1080902059 /nfs/dbraw/zinc/90/20/59/1080902059.db2.gz NDYKXJQSJJUGDK-MGPLVRAMSA-N -1 3 366.381 2.819 20 10 FFCDHM C[C@H]([NH2+]CCCn1cnc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960891 1080904173 /nfs/dbraw/zinc/90/41/73/1080904173.db2.gz JWODTMGMGHQJKQ-ZDUSSCGKSA-N -1 3 363.425 2.663 20 10 FFCDHM C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589970447 1080911871 /nfs/dbraw/zinc/91/18/71/1080911871.db2.gz RSHSCYSKABLBTI-LBPRGKRZSA-N -1 3 368.441 2.995 20 10 FFCDHM CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1[O-] ZINC000109769509 507986651 /nfs/dbraw/zinc/98/66/51/507986651.db2.gz TWVWJCODCWWMFZ-UHFFFAOYSA-N -1 3 373.478 2.502 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)c3cccc(OC)c3[O-])CC2)cc1 ZINC000098128053 508236938 /nfs/dbraw/zinc/23/69/38/508236938.db2.gz OMZMLIMKOWAGDG-UHFFFAOYSA-N -1 3 356.422 2.762 20 10 FFCDHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000115721049 508430742 /nfs/dbraw/zinc/43/07/42/508430742.db2.gz IUNSLCILHRXJHD-DZGCQCFKSA-N -1 3 374.462 2.782 20 10 FFCDHM Nc1nccc([C@@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000377704110 512409639 /nfs/dbraw/zinc/40/96/39/512409639.db2.gz VWUVPHLJPRUXES-SNVBAGLBSA-N -1 3 363.805 2.536 20 10 FFCDHM Cc1cc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)no1 ZINC000120574989 509024745 /nfs/dbraw/zinc/02/47/45/509024745.db2.gz UUPRBILIFIFFQN-UHFFFAOYSA-N -1 3 366.259 2.769 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1C ZINC000263872091 509197913 /nfs/dbraw/zinc/19/79/13/509197913.db2.gz ZVSKQPPBKJQPEM-UHFFFAOYSA-N -1 3 368.480 2.866 20 10 FFCDHM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)nc1 ZINC000267554008 509539377 /nfs/dbraw/zinc/53/93/77/509539377.db2.gz DPXAPCBXTBNQJO-CQSZACIVSA-N -1 3 369.421 2.601 20 10 FFCDHM O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192989900 509727799 /nfs/dbraw/zinc/72/77/99/509727799.db2.gz CAWQFUJSQRRTDH-UHFFFAOYSA-N -1 3 374.824 2.740 20 10 FFCDHM C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187668834 510377753 /nfs/dbraw/zinc/37/77/53/510377753.db2.gz XKWQMXKNCAMCAR-CYBMUJFWSA-N -1 3 362.424 2.668 20 10 FFCDHM CC1(C)CCN(Cc2cc(Br)ccc2[O-])CCS1(=O)=O ZINC000195204143 510715416 /nfs/dbraw/zinc/71/54/16/510715416.db2.gz UPVCIQCAKKCCQQ-UHFFFAOYSA-N -1 3 362.289 2.554 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1nccn1C(F)F ZINC000277692326 510968496 /nfs/dbraw/zinc/96/84/96/510968496.db2.gz GZLUBDCWUUTEJR-UHFFFAOYSA-N -1 3 370.743 2.602 20 10 FFCDHM CN1CCN(c2cc(CNCc3cc(Cl)c(F)cc3[O-])ccn2)CC1 ZINC000294156003 510974165 /nfs/dbraw/zinc/97/41/65/510974165.db2.gz IIIUWHMBAHMGES-UHFFFAOYSA-N -1 3 364.852 2.621 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000278128033 510982234 /nfs/dbraw/zinc/98/22/34/510982234.db2.gz NSOFYPRHYLUMMR-FMKPAKJESA-N -1 3 364.829 2.767 20 10 FFCDHM COc1c([O-])c(CN[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278292213 510987942 /nfs/dbraw/zinc/98/79/42/510987942.db2.gz BTAOCNBYBMUOQK-NDHGSNPTSA-N -1 3 364.423 2.897 20 10 FFCDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000278697544 511004614 /nfs/dbraw/zinc/00/46/14/511004614.db2.gz RFHZMTLTLYHHSH-UHFFFAOYSA-N -1 3 358.413 2.674 20 10 FFCDHM C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162550 511042880 /nfs/dbraw/zinc/04/28/80/511042880.db2.gz BTTXNPXRCZGNKU-KGLIPLIRSA-N -1 3 373.409 2.962 20 10 FFCDHM CC[C@H](N[C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726583 511056889 /nfs/dbraw/zinc/05/68/89/511056889.db2.gz OXTAIHLPHVEURG-GJZGRUSLSA-N -1 3 362.861 2.934 20 10 FFCDHM CC[C@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726585 511057036 /nfs/dbraw/zinc/05/70/36/511057036.db2.gz OXTAIHLPHVEURG-LSDHHAIUSA-N -1 3 362.861 2.934 20 10 FFCDHM COc1c([O-])c(CN(CCN(C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000289420910 511100719 /nfs/dbraw/zinc/10/07/19/511100719.db2.gz JEJUDFREAHUGKU-UHFFFAOYSA-N -1 3 365.455 2.934 20 10 FFCDHM O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294640932 511129330 /nfs/dbraw/zinc/12/93/30/511129330.db2.gz KFJGYVMAUWZDPX-MRVPVSSYSA-N -1 3 354.731 2.685 20 10 FFCDHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000290579739 511146355 /nfs/dbraw/zinc/14/63/55/511146355.db2.gz VQQYNKUKCBQABU-UHFFFAOYSA-N -1 3 363.435 2.834 20 10 FFCDHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000271303086 511155792 /nfs/dbraw/zinc/15/57/92/511155792.db2.gz SWCDMMMTPQALII-UHFFFAOYSA-N -1 3 358.394 2.759 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000294867046 511202558 /nfs/dbraw/zinc/20/25/58/511202558.db2.gz UKOPCHXVGLAMGE-XMMPIXPASA-N -1 3 373.902 2.630 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000273354523 511522719 /nfs/dbraw/zinc/52/27/19/511522719.db2.gz CKJMQLUEZVMTKR-GFCCVEGCSA-N -1 3 358.394 2.606 20 10 FFCDHM C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273608697 511550751 /nfs/dbraw/zinc/55/07/51/511550751.db2.gz VBUGLCMXRKSQFG-LBPRGKRZSA-N -1 3 364.423 2.696 20 10 FFCDHM O=C([N-]CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1)C(F)(F)F ZINC000281113602 511724199 /nfs/dbraw/zinc/72/41/99/511724199.db2.gz BLLBYHAOVLARPJ-UHFFFAOYSA-N -1 3 350.768 2.936 20 10 FFCDHM Cc1cc(Br)cc([C@@H](C)N[C@H](C(N)=O)c2ccccn2)c1[O-] ZINC000296633376 511829620 /nfs/dbraw/zinc/82/96/20/511829620.db2.gz BLTLWVRWYYWBHR-YGRLFVJLSA-N -1 3 364.243 2.735 20 10 FFCDHM COCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc21 ZINC000275254715 512088392 /nfs/dbraw/zinc/08/83/92/512088392.db2.gz WRFPVHXOYIZPPB-UHFFFAOYSA-N -1 3 370.405 2.584 20 10 FFCDHM COc1c([O-])c(CN2CC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000375729874 512476420 /nfs/dbraw/zinc/47/64/20/512476420.db2.gz IHPZYKLPRPNPQL-LJQANCHMSA-N -1 3 356.378 2.940 20 10 FFCDHM COc1c([O-])c(CN2CC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000375729873 512476451 /nfs/dbraw/zinc/47/64/51/512476451.db2.gz IHPZYKLPRPNPQL-IBGZPJMESA-N -1 3 356.378 2.940 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c([O-])c1O ZINC000371664167 512517166 /nfs/dbraw/zinc/51/71/66/512517166.db2.gz GPGDICIKGFUOSX-CQSZACIVSA-N -1 3 368.393 2.978 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000375999673 512609400 /nfs/dbraw/zinc/60/94/00/512609400.db2.gz LKURYGSONZKEBX-AWEZNQCLSA-N -1 3 352.390 2.663 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000374439188 512834081 /nfs/dbraw/zinc/83/40/81/512834081.db2.gz JKUQZXHNFSIABO-ZDUSSCGKSA-N -1 3 356.403 2.921 20 10 FFCDHM CS(=O)(=O)c1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)co1 ZINC000528420600 516424209 /nfs/dbraw/zinc/42/42/09/516424209.db2.gz WSFFMXGVUBBMOW-INIZCTEOSA-N -1 3 365.451 2.570 20 10 FFCDHM C[C@H]1C[C@@H](NC(c2nccn2C)c2nccn2C)c2c1c(F)ccc2[O-] ZINC000527947535 518007209 /nfs/dbraw/zinc/00/72/09/518007209.db2.gz QKJQPZOSEXOYGM-WCQYABFASA-N -1 3 355.417 2.926 20 10 FFCDHM Fc1ccccc1NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737671168 598318697 /nfs/dbraw/zinc/31/86/97/598318697.db2.gz ZVNSIVBWWRLOQM-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Fc1ccccc1NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737671168 598318698 /nfs/dbraw/zinc/31/86/98/598318698.db2.gz ZVNSIVBWWRLOQM-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Clc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1-c1nnn[n-]1 ZINC000737563059 598656875 /nfs/dbraw/zinc/65/68/75/598656875.db2.gz DVNRCFDHBDTIOS-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM Clc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1-c1nn[n-]n1 ZINC000737563059 598656877 /nfs/dbraw/zinc/65/68/77/598656877.db2.gz DVNRCFDHBDTIOS-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1O ZINC000833897911 605993100 /nfs/dbraw/zinc/99/31/00/605993100.db2.gz PGAZCMDTQOEEND-ZWNOBZJWSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000833897911 605993101 /nfs/dbraw/zinc/99/31/01/605993101.db2.gz PGAZCMDTQOEEND-ZWNOBZJWSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000833897911 605993103 /nfs/dbraw/zinc/99/31/03/605993103.db2.gz PGAZCMDTQOEEND-ZWNOBZJWSA-N -1 3 357.248 2.941 20 10 FFCDHM CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000821589225 606345933 /nfs/dbraw/zinc/34/59/33/606345933.db2.gz DGCRGNSUBOSXMJ-UHFFFAOYSA-N -1 3 373.367 2.533 20 10 FFCDHM CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000821589225 606345935 /nfs/dbraw/zinc/34/59/35/606345935.db2.gz DGCRGNSUBOSXMJ-UHFFFAOYSA-N -1 3 373.367 2.533 20 10 FFCDHM CCN(CC(=O)Nc1ccon1)Cc1cc(Br)ccc1[O-] ZINC000743871072 735323335 /nfs/dbraw/zinc/32/33/35/735323335.db2.gz OVXSSNAGUVHVPK-UHFFFAOYSA-N -1 3 354.204 2.603 20 10 FFCDHM O=C1CCCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093088096 728473941 /nfs/dbraw/zinc/47/39/41/728473941.db2.gz SHRATYCUODGOFS-UHFFFAOYSA-N -1 3 353.260 2.742 20 10 FFCDHM C[C@H]1CN=C(N2CCN(Cc3cc(Br)ccc3[O-])CC2)S1 ZINC000093662813 728476725 /nfs/dbraw/zinc/47/67/25/728476725.db2.gz GGZIWTKISWLTHB-NSHDSACASA-N -1 3 370.316 2.764 20 10 FFCDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)cc1 ZINC000093905356 728478210 /nfs/dbraw/zinc/47/82/10/728478210.db2.gz FWBWJZUOFAAEGS-MRXNPFEDSA-N -1 3 362.451 2.953 20 10 FFCDHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000170903077 728991469 /nfs/dbraw/zinc/99/14/69/728991469.db2.gz JPGDSMWYKJPGEU-CHWSQXEVSA-N -1 3 354.472 2.708 20 10 FFCDHM CCc1noc(C[C@]2(O)CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000856594082 730346488 /nfs/dbraw/zinc/34/64/88/730346488.db2.gz DOXKYFFUUQJMCM-QGZVFWFLSA-N -1 3 369.824 2.700 20 10 FFCDHM O=S1(=O)Cc2ccccc2[C@@H](NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000857057810 730376549 /nfs/dbraw/zinc/37/65/49/730376549.db2.gz DZJLVVCVKRZKRE-HNNXBMFYSA-N -1 3 355.818 2.944 20 10 FFCDHM Cn1nccc1[C@@H](O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000857063431 730377004 /nfs/dbraw/zinc/37/70/04/730377004.db2.gz SLUZLTVGXCFZLM-KRWDZBQOSA-N -1 3 353.825 2.864 20 10 FFCDHM CCOC(=O)[C@H](NCc1c([O-])cccc1Br)C1CCOCC1 ZINC000862338610 730690250 /nfs/dbraw/zinc/69/02/50/730690250.db2.gz FJOGURCTWUMNJL-OAHLLOKOSA-N -1 3 372.259 2.603 20 10 FFCDHM CC1(C)CN(Cc2c([O-])cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862350929 730690426 /nfs/dbraw/zinc/69/04/26/730690426.db2.gz JNIPMGUGPBOZJL-MRXNPFEDSA-N -1 3 356.260 2.925 20 10 FFCDHM CC1CCN(c2ccc(C[N-]S(=O)(=O)c3c[nH]c(=O)s3)cc2)CC1 ZINC000866752867 731095892 /nfs/dbraw/zinc/09/58/92/731095892.db2.gz DIOKRGOKXHZIGA-UHFFFAOYSA-N -1 3 367.496 2.564 20 10 FFCDHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000872477081 731776628 /nfs/dbraw/zinc/77/66/28/731776628.db2.gz CVTGKMMBUDORLR-VERVWZFWSA-N -1 3 361.533 2.544 20 10 FFCDHM COc1cccc2c1O[C@H](c1c([O-])cccc1Br)NC2=O ZINC000877843510 732444902 /nfs/dbraw/zinc/44/49/02/732444902.db2.gz RGLKOCFOGQOEDH-OAHLLOKOSA-N -1 3 350.168 2.984 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926404578 738611579 /nfs/dbraw/zinc/61/15/79/738611579.db2.gz ZJJHYQIIFNNAAP-RNCFNFMXSA-N -1 3 350.312 2.831 20 10 FFCDHM CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000781783646 738658875 /nfs/dbraw/zinc/65/88/75/738658875.db2.gz GYQVXHUQTQFSAC-UHFFFAOYSA-N -1 3 350.415 2.617 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000781907065 738670535 /nfs/dbraw/zinc/67/05/35/738670535.db2.gz CUDYAWFRZJHRDZ-QWRGUYRKSA-N -1 3 364.305 2.717 20 10 FFCDHM COC(=O)C[C@H]1CSCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781913396 738672187 /nfs/dbraw/zinc/67/21/87/738672187.db2.gz TYDYQKINHZCVRT-LBPRGKRZSA-N -1 3 374.300 2.944 20 10 FFCDHM CSCc1nnc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])[n-]1 ZINC000886757309 733826767 /nfs/dbraw/zinc/82/67/67/733826767.db2.gz CEVKVDVFCBBKDO-MRVPVSSYSA-N -1 3 357.277 2.987 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000783849193 738841656 /nfs/dbraw/zinc/84/16/56/738841656.db2.gz QJMUXTHMIFXWIE-RYUDHWBXSA-N -1 3 350.415 2.664 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928705597 738897630 /nfs/dbraw/zinc/89/76/30/738897630.db2.gz KDQSFJQQSMHRMQ-GFCCVEGCSA-N -1 3 352.406 2.795 20 10 FFCDHM COC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000749296672 735711483 /nfs/dbraw/zinc/71/14/83/735711483.db2.gz HSGMZSBQCLPYAO-UHFFFAOYSA-N -1 3 372.849 2.545 20 10 FFCDHM O=S(=O)([N-]Cc1ccccc1O)c1cc(F)ccc1Br ZINC000751149069 735849090 /nfs/dbraw/zinc/84/90/90/735849090.db2.gz LUDWEZVVJAGIEF-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768816421 737461681 /nfs/dbraw/zinc/46/16/81/737461681.db2.gz LNRSZWXEQGAPRB-UHFFFAOYSA-N -1 3 369.468 2.981 20 10 FFCDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769688177 737553771 /nfs/dbraw/zinc/55/37/71/737553771.db2.gz GAFKUWRHHKPZOR-IVMMDQJWSA-N -1 3 368.499 2.954 20 10 FFCDHM CC(C)CC(CC(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769764491 737563798 /nfs/dbraw/zinc/56/37/98/737563798.db2.gz DBNRLQVEUXXJTQ-UHFFFAOYSA-N -1 3 356.488 2.954 20 10 FFCDHM CCc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000773408062 737903583 /nfs/dbraw/zinc/90/35/83/737903583.db2.gz OMVOKYIFWCACLN-AWEZNQCLSA-N -1 3 363.845 2.990 20 10 FFCDHM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NCc1c([O-])cccc1F ZINC000921841342 738053198 /nfs/dbraw/zinc/05/31/98/738053198.db2.gz SSCBSAGIHUIJJS-NSHDSACASA-N -1 3 355.410 2.634 20 10 FFCDHM CC[C@@H](NCc1nnnn1C1CC1)c1cc(Br)ccc1[O-] ZINC000775528363 738099391 /nfs/dbraw/zinc/09/93/91/738099391.db2.gz XPJSHJSCPKHCTE-GFCCVEGCSA-N -1 3 352.236 2.717 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776340876 738184273 /nfs/dbraw/zinc/18/42/73/738184273.db2.gz CDQQHJYXCYMUGV-UHFFFAOYSA-N -1 3 350.396 2.502 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1nnc(CC(F)(F)F)s1 ZINC000930425058 739105557 /nfs/dbraw/zinc/10/55/57/739105557.db2.gz ASHVYHWWVKTXSH-UHFFFAOYSA-N -1 3 350.297 2.809 20 10 FFCDHM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790665509 739483579 /nfs/dbraw/zinc/48/35/79/739483579.db2.gz DXTFSEDRPPVCFM-UHFFFAOYSA-N -1 3 350.415 2.569 20 10 FFCDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790899110 739510698 /nfs/dbraw/zinc/51/06/98/739510698.db2.gz IPYJYXJZNMYGFT-NWDGAFQWSA-N -1 3 350.415 2.616 20 10 FFCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CC2(CCOCC2)O1 ZINC000790929757 739515088 /nfs/dbraw/zinc/51/50/88/739515088.db2.gz BFILJJFVMUQXGX-LBPRGKRZSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)CN(Cc1cnn(C)c1Cl)Cc1cc(Cl)ccc1[O-] ZINC000816506649 742036527 /nfs/dbraw/zinc/03/65/27/742036527.db2.gz JJHTVXNFJBJRKN-UHFFFAOYSA-N -1 3 358.225 2.608 20 10 FFCDHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC000817494888 742154878 /nfs/dbraw/zinc/15/48/78/742154878.db2.gz FGSKELKTHJPMBC-VIFPVBQESA-N -1 3 362.407 2.790 20 10 FFCDHM O=C(NCCc1cnc(SC2CCCC2)nc1)c1cccc(O)c1[O-] ZINC000819057463 742331786 /nfs/dbraw/zinc/33/17/86/742331786.db2.gz SQYCDUYOMZJJKZ-UHFFFAOYSA-N -1 3 359.451 2.895 20 10 FFCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824571879 743109779 /nfs/dbraw/zinc/10/97/79/743109779.db2.gz PTBJXCXIFWPPFI-JTQLQIEISA-N -1 3 362.829 2.502 20 10 FFCDHM CO[C@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824913352 743177578 /nfs/dbraw/zinc/17/75/78/743177578.db2.gz PQUOGXUGQAUORQ-SECBINFHSA-N -1 3 356.220 2.877 20 10 FFCDHM COCCN(Cc1ccnn1C)Cc1ccc(Br)cc1[O-] ZINC000825726691 743319394 /nfs/dbraw/zinc/31/93/94/743319394.db2.gz VWFLHZIDQSHKHM-UHFFFAOYSA-N -1 3 354.248 2.537 20 10 FFCDHM C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000834882545 745918573 /nfs/dbraw/zinc/91/85/73/745918573.db2.gz ROHDUQQPRJCJPV-NSHDSACASA-N -1 3 370.421 2.772 20 10 FFCDHM Cc1ncccc1NC(=O)[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000835070281 745944574 /nfs/dbraw/zinc/94/45/74/745944574.db2.gz HXMBTSXICLCURZ-JTQLQIEISA-N -1 3 364.789 2.774 20 10 FFCDHM CC(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1C(C)C ZINC000836890964 746326163 /nfs/dbraw/zinc/32/61/63/746326163.db2.gz UNTYFJZGZWMDCE-GOEBONIOSA-N -1 3 354.472 2.516 20 10 FFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])CCC12CCC2 ZINC000840969135 747246448 /nfs/dbraw/zinc/24/64/48/747246448.db2.gz ASAHMWGMJGIELZ-UHFFFAOYSA-N -1 3 374.300 2.698 20 10 FFCDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000848452536 748929437 /nfs/dbraw/zinc/92/94/37/748929437.db2.gz UHZVKRUCGDAOQO-UHFFFAOYSA-N -1 3 363.435 2.943 20 10 FFCDHM CCc1cccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1O ZINC000848891823 749029838 /nfs/dbraw/zinc/02/98/38/749029838.db2.gz BOZXHKLJAOPQIK-UHFFFAOYSA-N -1 3 350.440 2.947 20 10 FFCDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1Cn1cccn1 ZINC000871874578 1013096578 /nfs/dbraw/zinc/09/65/78/1013096578.db2.gz SEKNZLHMOCAYNU-SFHVURJKSA-N -1 3 366.421 2.641 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001279219732 962510751 /nfs/dbraw/zinc/51/07/51/962510751.db2.gz ISFZFMXUPBCXCA-UHFFFAOYSA-N -1 3 362.271 2.801 20 10 FFCDHM CCn1ccnc1CN1CCC2(CN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001279107474 962524039 /nfs/dbraw/zinc/52/40/39/962524039.db2.gz MSHSSAKYVHOASN-UHFFFAOYSA-N -1 3 362.424 2.595 20 10 FFCDHM COC(=O)C[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000176134216 965307520 /nfs/dbraw/zinc/30/75/20/965307520.db2.gz LAXFSRIKXLOMTA-ZDUSSCGKSA-N -1 3 359.422 2.781 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c([O-])c1O ZINC000179403055 968720863 /nfs/dbraw/zinc/72/08/63/968720863.db2.gz ZVYOLSHWMXBXSB-UHFFFAOYSA-N -1 3 351.366 2.647 20 10 FFCDHM CC[C@H](C)N1CC2(CCC1=O)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001271434221 972995577 /nfs/dbraw/zinc/99/55/77/972995577.db2.gz UBFMZTYCYJLHNN-AWEZNQCLSA-N -1 3 360.454 2.741 20 10 FFCDHM CCC(CC)(CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-] ZINC000899854681 977365979 /nfs/dbraw/zinc/36/59/79/977365979.db2.gz MQGZKLCVLDKOHT-KRWDZBQOSA-N -1 3 363.502 2.753 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921936515 987369488 /nfs/dbraw/zinc/36/94/88/987369488.db2.gz ZYMUWBRQHHSPIV-GFCCVEGCSA-N -1 3 367.421 2.588 20 10 FFCDHM CCC(CC)C(=O)N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000914262971 987402842 /nfs/dbraw/zinc/40/28/42/987402842.db2.gz HIXPJNLXMOMFSM-UHFFFAOYSA-N -1 3 365.449 2.758 20 10 FFCDHM NC(=O)c1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1[N+](=O)[O-] ZINC001168522008 990005428 /nfs/dbraw/zinc/00/54/28/990005428.db2.gz NHVLLBFONYEQMZ-UHFFFAOYSA-N -1 3 373.756 2.608 20 10 FFCDHM Cc1ccc(Cn2cccc(NC(=O)c3cccc(O)c3[O-])c2=O)cc1 ZINC000187202836 991260592 /nfs/dbraw/zinc/26/05/92/991260592.db2.gz DBOIMQDRNGYQLO-UHFFFAOYSA-N -1 3 350.374 2.869 20 10 FFCDHM C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250158 994484750 /nfs/dbraw/zinc/48/47/50/994484750.db2.gz ROUUCGPFYRIDIB-CQSZACIVSA-N -1 3 354.450 2.840 20 10 FFCDHM O=C1CCCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)N1 ZINC001144300803 998295296 /nfs/dbraw/zinc/29/52/96/998295296.db2.gz DZTVFCPTXFALGL-UHFFFAOYSA-N -1 3 371.250 2.929 20 10 FFCDHM CN(C)C(=O)NC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144308426 998306873 /nfs/dbraw/zinc/30/68/73/998306873.db2.gz YNJPYXRQQXRIBC-UHFFFAOYSA-N -1 3 374.254 2.529 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CC2CCC1CC2 ZINC001144575842 998662457 /nfs/dbraw/zinc/66/24/57/998662457.db2.gz TVQHOGZSQUIKRJ-XZNOPERXSA-N -1 3 366.483 2.708 20 10 FFCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)nn1 ZINC000767796297 1000146323 /nfs/dbraw/zinc/14/63/23/1000146323.db2.gz ROKZEHGMXIGUGZ-MRXNPFEDSA-N -1 3 374.872 2.847 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000846018804 1000194531 /nfs/dbraw/zinc/19/45/31/1000194531.db2.gz PMMAYFGGZBQITM-UHFFFAOYSA-N -1 3 356.376 2.869 20 10 FFCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCC(c3ccccc3)CC1)cc2=O ZINC000846234909 1000239098 /nfs/dbraw/zinc/23/90/98/1000239098.db2.gz ZFEZTAPUDCPACL-UHFFFAOYSA-N -1 3 352.394 2.513 20 10 FFCDHM CCOC(=O)CCc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1F ZINC001148586089 1001175275 /nfs/dbraw/zinc/17/52/75/1001175275.db2.gz IFOHZHLYHOEJIL-UHFFFAOYSA-N -1 3 363.341 2.691 20 10 FFCDHM Cn1c2ccccc2nc1C1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148584098 1001175760 /nfs/dbraw/zinc/17/57/60/1001175760.db2.gz NZSUXJCWLWJPDW-UHFFFAOYSA-N -1 3 367.405 2.710 20 10 FFCDHM O=C(Nc1ccc2c(Br)n[nH]c2c1)c1cc(O)c([O-])c(O)c1 ZINC001148588652 1001176513 /nfs/dbraw/zinc/17/65/13/1001176513.db2.gz YKDDMDBCFHPFHE-UHFFFAOYSA-N -1 3 364.155 2.695 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000774649932 1002301002 /nfs/dbraw/zinc/30/10/02/1002301002.db2.gz NOSKIFUOTDBKGL-HNNXBMFYSA-N -1 3 373.453 2.666 20 10 FFCDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1-c1ccc2c(c1)OCCO2 ZINC000790897522 1002510205 /nfs/dbraw/zinc/51/02/05/1002510205.db2.gz NWJMRPLMKAUZHS-UHFFFAOYSA-N -1 3 367.361 2.820 20 10 FFCDHM COc1c([O-])c(CNc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000774914196 1003024157 /nfs/dbraw/zinc/02/41/57/1003024157.db2.gz MCAVDQJOOCKZIB-UHFFFAOYSA-N -1 3 359.382 2.758 20 10 FFCDHM COc1ccc(NC(C)=O)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774916335 1003032354 /nfs/dbraw/zinc/03/23/54/1003032354.db2.gz ZGJQPEAZMOSOTK-UHFFFAOYSA-N -1 3 361.354 2.888 20 10 FFCDHM CCOC(=O)[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCS1 ZINC001203649770 1003477422 /nfs/dbraw/zinc/47/74/22/1003477422.db2.gz FXGWECGLRHKDJB-ZDUSSCGKSA-N -1 3 360.273 2.635 20 10 FFCDHM CCn1c(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])nc2ccccc21 ZINC000775063328 1003479145 /nfs/dbraw/zinc/47/91/45/1003479145.db2.gz QYLGFWQZIBUURK-UHFFFAOYSA-N -1 3 356.382 2.968 20 10 FFCDHM Cc1ncc(NS(=O)(=O)c2ccc(N=Nc3ccccc3)cc2)c(=O)[n-]1 ZINC001197196664 1004116467 /nfs/dbraw/zinc/11/64/67/1004116467.db2.gz ABCNWEXCKCFYTM-BZROSYFNSA-N -1 3 369.406 2.778 20 10 FFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000817283626 1007507661 /nfs/dbraw/zinc/50/76/61/1007507661.db2.gz BHJYKVWIGQNEMA-LBPRGKRZSA-N -1 3 356.378 2.936 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875493 1008233556 /nfs/dbraw/zinc/23/35/56/1008233556.db2.gz QHLVJUPNRQAGGL-XIKOKIGWSA-N -1 3 354.406 2.543 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCc2nc[nH]c2C1 ZINC001177185005 1008523382 /nfs/dbraw/zinc/52/33/82/1008523382.db2.gz XIPDCUUQIOISCR-SNVBAGLBSA-N -1 3 356.813 2.738 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCc2[nH]cnc2C1 ZINC001177185005 1008523391 /nfs/dbraw/zinc/52/33/91/1008523391.db2.gz XIPDCUUQIOISCR-SNVBAGLBSA-N -1 3 356.813 2.738 20 10 FFCDHM CN(C)c1ccc(C=CC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC001180128297 1009570928 /nfs/dbraw/zinc/57/09/28/1009570928.db2.gz IHFAOZOECHJUBK-DHZHZOJOSA-N -1 3 350.378 2.759 20 10 FFCDHM CN(C)c1cc(F)c(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000864505174 1010488716 /nfs/dbraw/zinc/48/87/16/1010488716.db2.gz CCZNZAKPPOVHBN-KRWDZBQOSA-N -1 3 368.355 2.792 20 10 FFCDHM Cc1nn(C)c2nc(C)c(CC(=O)NCc3c([O-])cccc3F)c(C)c12 ZINC000928712832 1019086480 /nfs/dbraw/zinc/08/64/80/1019086480.db2.gz ZHWWKJQSWFSNJE-UHFFFAOYSA-N -1 3 356.401 2.597 20 10 FFCDHM CC1(C)CC(=O)c2cc(C(=O)NCc3c([O-])cccc3F)c(=O)[nH]c2C1 ZINC000928712076 1019086524 /nfs/dbraw/zinc/08/65/24/1019086524.db2.gz OJHUCXAHIJCWIM-UHFFFAOYSA-N -1 3 358.369 2.717 20 10 FFCDHM CCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c([O-])c1 ZINC000188066618 1023004526 /nfs/dbraw/zinc/00/45/26/1023004526.db2.gz DXRPMAFRBXKJOE-UHFFFAOYSA-N -1 3 372.440 2.985 20 10 FFCDHM C[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@@H](C2CC2)O1 ZINC001121460956 1023791131 /nfs/dbraw/zinc/79/11/31/1023791131.db2.gz RHQXKAVLZGKINP-MFKMUULPSA-N -1 3 371.466 2.801 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000839916946 1026865724 /nfs/dbraw/zinc/86/57/24/1026865724.db2.gz XIUKZGZCLWRNRM-AWEZNQCLSA-N -1 3 370.497 2.853 20 10 FFCDHM COCCOC(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780905900 1028859727 /nfs/dbraw/zinc/85/97/27/1028859727.db2.gz DSBLRWWSYCBVBZ-UHFFFAOYSA-N -1 3 360.366 2.853 20 10 FFCDHM O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1c([O-])cccc1F ZINC001156170917 1029073876 /nfs/dbraw/zinc/07/38/76/1029073876.db2.gz WADKYDSUBINVBG-UHFFFAOYSA-N -1 3 360.360 2.656 20 10 FFCDHM Cc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1C(=O)[O-] ZINC000841823288 1030488574 /nfs/dbraw/zinc/48/85/74/1030488574.db2.gz WQWYKAMNQGYOOD-UHFFFAOYSA-N -1 3 358.413 2.959 20 10 FFCDHM COC[C@H]1CN(Cc2cc(Br)ccc2[O-])Cc2cn(C)nc21 ZINC001203639882 1030802477 /nfs/dbraw/zinc/80/24/77/1030802477.db2.gz LMHURKICSQXNPJ-CYBMUJFWSA-N -1 3 366.259 2.634 20 10 FFCDHM COCCNC(=O)c1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000797037553 1030984243 /nfs/dbraw/zinc/98/42/43/1030984243.db2.gz UTHWTBBPQHRARR-ZDUSSCGKSA-N -1 3 372.421 2.728 20 10 FFCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)nnn1Cc1ccccc1F ZINC001205146642 1031552032 /nfs/dbraw/zinc/55/20/32/1031552032.db2.gz DJBHFNGVYYLRLF-UHFFFAOYSA-N -1 3 373.363 2.940 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001139126257 1034956724 /nfs/dbraw/zinc/95/67/24/1034956724.db2.gz CTVGLVSDGMKULL-DIFFPNOSSA-N -1 3 371.355 2.942 20 10 FFCDHM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001139682256 1035197038 /nfs/dbraw/zinc/19/70/38/1035197038.db2.gz UMIXKYPJGUZQQR-SCLBCKFNSA-N -1 3 364.392 2.596 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140462950 1035484587 /nfs/dbraw/zinc/48/45/87/1035484587.db2.gz POFBRUOGKHPUSK-AWEZNQCLSA-N -1 3 356.850 2.771 20 10 FFCDHM O=C(C1CCCCC1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262280 1035533519 /nfs/dbraw/zinc/53/35/19/1035533519.db2.gz AOKVXIGYYWUKQS-UHFFFAOYSA-N -1 3 352.862 2.976 20 10 FFCDHM COc1cc([O-])c(CN2CCc3onc(Cn4ccnc4)c3C2)cc1Cl ZINC001232267888 1035538854 /nfs/dbraw/zinc/53/88/54/1035538854.db2.gz KSNYIAGQVUWUMV-UHFFFAOYSA-N -1 3 374.828 2.845 20 10 FFCDHM COc1cc([O-])c(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1Cl ZINC001232269273 1035541252 /nfs/dbraw/zinc/54/12/52/1035541252.db2.gz UNQVAAGBDVYRJI-UHFFFAOYSA-N -1 3 374.868 2.941 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])cc(F)cc2F)N1Cc1cccnc1 ZINC001140580760 1035662387 /nfs/dbraw/zinc/66/23/87/1035662387.db2.gz KABOCOXHAIMZJY-QZTJIDSGSA-N -1 3 373.403 2.831 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001233309060 1036515180 /nfs/dbraw/zinc/51/51/80/1036515180.db2.gz RBZAXMVKJVEXGB-CNDDSTCGSA-N -1 3 358.207 2.589 20 10 FFCDHM CCOC(=O)C1CC(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229186021 1036537699 /nfs/dbraw/zinc/53/76/99/1036537699.db2.gz FPSCCEJKHLFUCJ-UHFFFAOYSA-N -1 3 366.369 2.888 20 10 FFCDHM O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333910 1036540463 /nfs/dbraw/zinc/54/04/63/1036540463.db2.gz MAVOLPLZEAEWLX-YWZLYKJASA-N -1 3 373.403 2.594 20 10 FFCDHM CCN(CC)C[C@@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229198008 1036548309 /nfs/dbraw/zinc/54/83/09/1036548309.db2.gz SYXWXNJLNNHTKB-GFCCVEGCSA-N -1 3 369.417 2.982 20 10 FFCDHM CC(C)OCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233452804 1036634452 /nfs/dbraw/zinc/63/44/52/1036634452.db2.gz KVORWOJBYKVTFU-UHFFFAOYSA-N -1 3 370.375 2.943 20 10 FFCDHM CNC(=O)[C@@H]1CC12CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001276517865 1037285607 /nfs/dbraw/zinc/28/56/07/1037285607.db2.gz JQRMNEZVPSOJQR-NSHDSACASA-N -1 3 371.250 2.642 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1=O ZINC001277507863 1037540696 /nfs/dbraw/zinc/54/06/96/1037540696.db2.gz RVMRKIRDDFHMON-VOJFVSQTSA-N -1 3 368.836 2.587 20 10 FFCDHM O=C1C[C@]2(CN1C1COC1)CCCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277510648 1037553201 /nfs/dbraw/zinc/55/32/01/1037553201.db2.gz PUAWZCGYTGDVSM-SFHVURJKSA-N -1 3 368.836 2.541 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449995 1037589801 /nfs/dbraw/zinc/58/98/01/1037589801.db2.gz OZJVXWSXWXJIME-LSDHHAIUSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449995 1037589818 /nfs/dbraw/zinc/58/98/18/1037589818.db2.gz OZJVXWSXWXJIME-LSDHHAIUSA-N -1 3 362.426 2.532 20 10 FFCDHM COc1cc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)ccn1 ZINC001231453233 1037594436 /nfs/dbraw/zinc/59/44/36/1037594436.db2.gz IZINXRZXHPANSA-UHFFFAOYSA-N -1 3 358.394 2.537 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(C(=O)[O-])ccc1O)[C@H]2C ZINC001231564405 1037687712 /nfs/dbraw/zinc/68/77/12/1037687712.db2.gz UKPQOKPVBWQDPB-AWEZNQCLSA-N -1 3 372.469 2.704 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001231562801 1037687744 /nfs/dbraw/zinc/68/77/44/1037687744.db2.gz DWHGHFFHBYQESA-LSDHHAIUSA-N -1 3 358.419 2.532 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3cccc(OC)n3)CC2)c(Cl)c1 ZINC001236808542 1038281398 /nfs/dbraw/zinc/28/13/98/1038281398.db2.gz OHYHOJAEWPMQPM-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM CCS(=O)(=O)N1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1 ZINC001248885149 1040493672 /nfs/dbraw/zinc/49/36/72/1040493672.db2.gz LIOXHXMBMTXFKG-UHFFFAOYSA-N -1 3 374.934 2.810 20 10 FFCDHM CC[C@H](C)S(=O)(=O)Nc1ccc([O-])c(I)c1 ZINC001260738187 1040760255 /nfs/dbraw/zinc/76/02/55/1040760255.db2.gz JNEYCAFLCBCVTF-ZETCQYMHSA-N -1 3 355.197 2.537 20 10 FFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250134150 1041126137 /nfs/dbraw/zinc/12/61/37/1041126137.db2.gz WUJYCFSPPHBYQU-ZDUSSCGKSA-N -1 3 374.300 2.944 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001278554399 1041131572 /nfs/dbraw/zinc/13/15/72/1041131572.db2.gz TWSCNZZTVITVOQ-UHFFFAOYSA-N -1 3 359.857 2.793 20 10 FFCDHM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)C1CCOCC1 ZINC001237621236 1043276466 /nfs/dbraw/zinc/27/64/66/1043276466.db2.gz YAMJJZUYORHJJV-UHFFFAOYSA-N -1 3 370.852 2.692 20 10 FFCDHM CCOC(=O)N1CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237682286 1043308743 /nfs/dbraw/zinc/30/87/43/1043308743.db2.gz PVAMKBXMRHIUSX-UHFFFAOYSA-N -1 3 357.248 2.737 20 10 FFCDHM COC[C@H]1CCCCN1Cc1cccc(I)c1[O-] ZINC001237776754 1043350800 /nfs/dbraw/zinc/35/08/00/1043350800.db2.gz LBIJELHRFIVKKL-GFCCVEGCSA-N -1 3 361.223 2.998 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCC[C@@H](CCO)C1 ZINC001237781442 1043352750 /nfs/dbraw/zinc/35/27/50/1043352750.db2.gz WSFPYXBYJUQDCX-NSHDSACASA-N -1 3 361.223 2.591 20 10 FFCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccccn1 ZINC001237939263 1043446029 /nfs/dbraw/zinc/44/60/29/1043446029.db2.gz AHQOGIZHGIXMIC-UHFFFAOYSA-N -1 3 363.820 2.974 20 10 FFCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)N1CCCC1 ZINC001237940531 1043446533 /nfs/dbraw/zinc/44/65/33/1043446533.db2.gz MBPITPVWHKZREC-UHFFFAOYSA-N -1 3 355.841 2.955 20 10 FFCDHM NC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001280110575 1044225589 /nfs/dbraw/zinc/22/55/89/1044225589.db2.gz ZBNPJEGHLCXVGB-NSHDSACASA-N -1 3 373.678 2.896 20 10 FFCDHM O=C([O-])c1cnn2c1[nH]c(CN(Cc1ccc(F)cc1)CC1CC1)cc2=O ZINC000738701620 1048694368 /nfs/dbraw/zinc/69/43/68/1048694368.db2.gz DQJMZAVMUQXDCL-UHFFFAOYSA-N -1 3 370.384 2.684 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001340209228 1050616536 /nfs/dbraw/zinc/61/65/36/1050616536.db2.gz JYILPKHUHFMOKP-DGCLKSJQSA-N -1 3 371.466 2.803 20 10 FFCDHM [O-]c1cccc(F)c1CNc1ncnc2c1nnn2Cc1ccccc1 ZINC001307214715 1052270084 /nfs/dbraw/zinc/27/00/84/1052270084.db2.gz QMDBMNUCLPOVFH-UHFFFAOYSA-N -1 3 350.357 2.726 20 10 FFCDHM CSC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1 ZINC001455859723 1059941980 /nfs/dbraw/zinc/94/19/80/1059941980.db2.gz IBXFMPGYYKMMDR-UHFFFAOYSA-N -1 3 372.512 2.559 20 10 FFCDHM COC(=O)[C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC001462611345 1061691212 /nfs/dbraw/zinc/69/12/12/1061691212.db2.gz KBCRNTOQJRWVLD-CQSZACIVSA-N -1 3 372.377 2.661 20 10 FFCDHM COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])n1C ZINC001522826184 1062301559 /nfs/dbraw/zinc/30/15/59/1062301559.db2.gz MZGPPWNEHSEIFG-CQSZACIVSA-N -1 3 358.394 2.590 20 10 FFCDHM CC(C)S(=O)(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001471974826 1064875593 /nfs/dbraw/zinc/87/55/93/1064875593.db2.gz LHIUVWJZEPPJFB-UHFFFAOYSA-N -1 3 351.399 2.643 20 10 FFCDHM COc1c([O-])c(CNc2ccc(C(=O)N(C)OC)cc2)ccc1[N+](=O)[O-] ZINC001560911222 1076308767 /nfs/dbraw/zinc/30/87/67/1076308767.db2.gz VZDSGFVDJPJRKI-UHFFFAOYSA-N -1 3 361.354 2.555 20 10 FFCDHM CCS(=O)(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001562060859 1076473601 /nfs/dbraw/zinc/47/36/01/1076473601.db2.gz CTXCJPHHUDDALZ-UHFFFAOYSA-N -1 3 352.387 2.647 20 10 FFCDHM CN(C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001564086436 1076604124 /nfs/dbraw/zinc/60/41/24/1076604124.db2.gz YSFFYDWRQPVZCE-HNNXBMFYSA-N -1 3 367.371 2.912 20 10 FFCDHM CN(C)C(=O)Nc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001564641452 1076650512 /nfs/dbraw/zinc/65/05/12/1076650512.db2.gz VKNLKDWDEPTWDL-UHFFFAOYSA-N -1 3 360.389 2.624 20 10 FFCDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589937089 1080882349 /nfs/dbraw/zinc/88/23/49/1080882349.db2.gz NAMRCWCXQJLAJS-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589937089 1080882354 /nfs/dbraw/zinc/88/23/54/1080882354.db2.gz NAMRCWCXQJLAJS-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589958463 1080903410 /nfs/dbraw/zinc/90/34/10/1080903410.db2.gz YTVCBVQILMKTKL-TZMCWYRMSA-N -1 3 368.416 2.641 20 10 FFCDHM C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960890 1080904507 /nfs/dbraw/zinc/90/45/07/1080904507.db2.gz JWODTMGMGHQJKQ-CYBMUJFWSA-N -1 3 363.425 2.663 20 10 FFCDHM Cc1nnccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370988755 512166448 /nfs/dbraw/zinc/16/64/48/512166448.db2.gz WMPNURLIVGEVAM-OAHLLOKOSA-N -1 3 360.845 2.538 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(C(=O)N3CCCCC3)CC2)c1[O-] ZINC000079388040 507956995 /nfs/dbraw/zinc/95/69/95/507956995.db2.gz DRACDHSPXBZGPF-UHFFFAOYSA-N -1 3 362.445 2.958 20 10 FFCDHM COc1cc(Br)cc(CN2CCC[C@H]2c2nncn2C)c1[O-] ZINC000093809678 508155845 /nfs/dbraw/zinc/15/58/45/508155845.db2.gz KRKUVGITYYJJQS-LBPRGKRZSA-N -1 3 367.247 2.629 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367211171 512387690 /nfs/dbraw/zinc/38/76/90/512387690.db2.gz CHGJRVZQCUZZPD-LBPRGKRZSA-N -1 3 360.845 2.830 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCC(=O)OC ZINC000131316167 508914517 /nfs/dbraw/zinc/91/45/17/508914517.db2.gz SZMNUJIHMFWICP-UHFFFAOYSA-N -1 3 358.232 2.847 20 10 FFCDHM CN(C)C(=O)c1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)[nH]1 ZINC000160176202 508950026 /nfs/dbraw/zinc/95/00/26/508950026.db2.gz YDPVLQHAMUUMIJ-KRWDZBQOSA-N -1 3 357.454 2.603 20 10 FFCDHM CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccccc3[O-])nc(N)c21 ZINC000161801477 509154864 /nfs/dbraw/zinc/15/48/64/509154864.db2.gz ALCURMGUNWYMKB-UHFFFAOYSA-N -1 3 370.409 2.628 20 10 FFCDHM CC[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)N1CCOCC1 ZINC000185665548 509295219 /nfs/dbraw/zinc/29/52/19/509295219.db2.gz CIOQUONJXVQKET-GWCFXTLKSA-N -1 3 361.269 2.987 20 10 FFCDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000265753757 510210727 /nfs/dbraw/zinc/21/07/27/510210727.db2.gz KBFWQLXKLGYQFR-UHFFFAOYSA-N -1 3 351.424 2.917 20 10 FFCDHM C[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1[O-] ZINC000187689186 510388880 /nfs/dbraw/zinc/38/88/80/510388880.db2.gz QIDRHKLYEAQLOO-LLVKDONJSA-N -1 3 350.365 2.847 20 10 FFCDHM CN1CCN(c2ncccc2CNCc2c([O-])ccc(Cl)c2F)CC1 ZINC000190883865 510392189 /nfs/dbraw/zinc/39/21/89/510392189.db2.gz XPLNKCMSFYCMRV-UHFFFAOYSA-N -1 3 364.852 2.621 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1CCSC1=O ZINC000266569918 510665138 /nfs/dbraw/zinc/66/51/38/510665138.db2.gz XOOTVIYMCLLGLN-UHFFFAOYSA-N -1 3 373.272 2.672 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c1[O-] ZINC000175637071 510705038 /nfs/dbraw/zinc/70/50/38/510705038.db2.gz RYURDTPKIYIBFI-UHFFFAOYSA-N -1 3 361.417 2.657 20 10 FFCDHM COc1ccc(N2CCN(C(=O)c3ccc([O-])c(OC)c3)CC2)cc1F ZINC000276943868 510950765 /nfs/dbraw/zinc/95/07/65/510950765.db2.gz PUNOODKGHZSOGG-UHFFFAOYSA-N -1 3 360.385 2.511 20 10 FFCDHM Cc1cc(C[C@H](C)NC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000277330156 510960658 /nfs/dbraw/zinc/96/06/58/510960658.db2.gz FAKBUXWBBLEOEF-VIFPVBQESA-N -1 3 367.247 2.617 20 10 FFCDHM CO[C@@H]1[C@@H](C)[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277920158 510976238 /nfs/dbraw/zinc/97/62/38/510976238.db2.gz JGGORXNYQPYIAR-AMKSKSKJSA-N -1 3 366.845 2.869 20 10 FFCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000289875079 511118453 /nfs/dbraw/zinc/11/84/53/511118453.db2.gz ROUZNPSUCMEFNK-GWCFXTLKSA-N -1 3 362.289 2.552 20 10 FFCDHM COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000271264736 511142302 /nfs/dbraw/zinc/14/23/02/511142302.db2.gz KEVWVWJWPWZEGA-RUZDIDTESA-N -1 3 363.435 2.554 20 10 FFCDHM O=C([N-]C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)C(F)(F)F ZINC000291696015 511302331 /nfs/dbraw/zinc/30/23/31/511302331.db2.gz YNAHCVULDVPSDU-SNVBAGLBSA-N -1 3 350.768 2.936 20 10 FFCDHM O=C([N-]C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)C(F)(F)F ZINC000291696015 511302335 /nfs/dbraw/zinc/30/23/35/511302335.db2.gz YNAHCVULDVPSDU-SNVBAGLBSA-N -1 3 350.768 2.936 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])C[C@@](C)(F)C1 ZINC000295356858 511375180 /nfs/dbraw/zinc/37/51/80/511375180.db2.gz IYUGPQFZHHRPNK-GOSISDBHSA-N -1 3 368.405 2.519 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC000273299406 511522038 /nfs/dbraw/zinc/52/20/38/511522038.db2.gz BAIJCTUCUIVCBY-CYBMUJFWSA-N -1 3 356.422 2.731 20 10 FFCDHM C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273416945 511524373 /nfs/dbraw/zinc/52/43/73/511524373.db2.gz QZCQIYOBHCRTLO-CYBMUJFWSA-N -1 3 364.423 2.566 20 10 FFCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280692097 511566057 /nfs/dbraw/zinc/56/60/57/511566057.db2.gz RHMZLXWSZWCLHY-GFCCVEGCSA-N -1 3 350.415 2.569 20 10 FFCDHM COc1c([O-])c(CN2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000365829172 511672740 /nfs/dbraw/zinc/67/27/40/511672740.db2.gz WQXFNCWBEGDWPM-UHFFFAOYSA-N -1 3 371.393 2.826 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1nc(C)no1 ZINC000296742163 511878983 /nfs/dbraw/zinc/87/89/83/511878983.db2.gz HQUMPZWPQMLBSX-UHFFFAOYSA-N -1 3 355.192 2.900 20 10 FFCDHM C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378429813 512755706 /nfs/dbraw/zinc/75/57/06/512755706.db2.gz TWLLJQOCNHBUBM-MAZHCROVSA-N -1 3 352.862 2.551 20 10 FFCDHM CC[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883859 513031980 /nfs/dbraw/zinc/03/19/80/513031980.db2.gz DLRRXQFJVRKTFW-JKSUJKDBSA-N -1 3 352.862 2.866 20 10 FFCDHM COc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1O ZINC000737131906 599051736 /nfs/dbraw/zinc/05/17/36/599051736.db2.gz HVWDPPACMJIDGW-UHFFFAOYSA-N -1 3 366.303 2.607 20 10 FFCDHM COc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1O ZINC000737131906 599051738 /nfs/dbraw/zinc/05/17/38/599051738.db2.gz HVWDPPACMJIDGW-UHFFFAOYSA-N -1 3 366.303 2.607 20 10 FFCDHM COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737098979 598506181 /nfs/dbraw/zinc/50/61/81/598506181.db2.gz JHNLQVZIBJRUIB-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737098979 598506184 /nfs/dbraw/zinc/50/61/84/598506184.db2.gz JHNLQVZIBJRUIB-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM Cc1cc(C(=O)N2CCCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235321 598609571 /nfs/dbraw/zinc/60/95/71/598609571.db2.gz UWCFUJLNNLPVGT-UHFFFAOYSA-N -1 3 350.426 2.900 20 10 FFCDHM CCC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736304959 598622564 /nfs/dbraw/zinc/62/25/64/598622564.db2.gz SGDDDTUMCWVAAT-ZDUSSCGKSA-N -1 3 367.409 2.799 20 10 FFCDHM CSC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737176688 599391192 /nfs/dbraw/zinc/39/11/92/599391192.db2.gz PGEUFRKNJLKXJO-NSHDSACASA-N -1 3 370.482 2.756 20 10 FFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCSc1nccs1 ZINC000826248451 607690080 /nfs/dbraw/zinc/69/00/80/607690080.db2.gz JQOAHYMYNWKPQN-UHFFFAOYSA-N -1 3 360.468 2.544 20 10 FFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCSc1nccs1 ZINC000826248451 607690082 /nfs/dbraw/zinc/69/00/82/607690082.db2.gz JQOAHYMYNWKPQN-UHFFFAOYSA-N -1 3 360.468 2.544 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1[O-] ZINC000833897411 605996320 /nfs/dbraw/zinc/99/63/20/605996320.db2.gz KEBLQMWGUXJOOI-QWRGUYRKSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1[O-] ZINC000833897411 605996323 /nfs/dbraw/zinc/99/63/23/605996323.db2.gz KEBLQMWGUXJOOI-QWRGUYRKSA-N -1 3 357.248 2.941 20 10 FFCDHM COc1ccc(N(C)CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1F ZINC000821828305 606881892 /nfs/dbraw/zinc/88/18/92/606881892.db2.gz SDGOIZFIWBQAPB-UHFFFAOYSA-N -1 3 373.388 2.538 20 10 FFCDHM COc1ccc(N(C)CCOc2ccc(-c3nn[n-]n3)cc2OC)cc1F ZINC000821828305 606881893 /nfs/dbraw/zinc/88/18/93/606881893.db2.gz SDGOIZFIWBQAPB-UHFFFAOYSA-N -1 3 373.388 2.538 20 10 FFCDHM Cc1ncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000822466780 606965552 /nfs/dbraw/zinc/96/55/52/606965552.db2.gz AFYZPRIZJDPGQD-GQCTYLIASA-N -1 3 360.830 2.961 20 10 FFCDHM Cc1ncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000822466780 606965553 /nfs/dbraw/zinc/96/55/53/606965553.db2.gz AFYZPRIZJDPGQD-GQCTYLIASA-N -1 3 360.830 2.961 20 10 FFCDHM CN(C)c1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821589275 607200056 /nfs/dbraw/zinc/20/00/56/607200056.db2.gz GNSIWGOKLDTTBG-UHFFFAOYSA-N -1 3 371.832 2.908 20 10 FFCDHM CN(C)c1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821589275 607200057 /nfs/dbraw/zinc/20/00/57/607200057.db2.gz GNSIWGOKLDTTBG-UHFFFAOYSA-N -1 3 371.832 2.908 20 10 FFCDHM Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000826511337 608376626 /nfs/dbraw/zinc/37/66/26/608376626.db2.gz LNSHTAIXGIGALG-UHFFFAOYSA-N -1 3 370.775 2.947 20 10 FFCDHM Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000826511337 608376628 /nfs/dbraw/zinc/37/66/28/608376628.db2.gz LNSHTAIXGIGALG-UHFFFAOYSA-N -1 3 370.775 2.947 20 10 FFCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCCC[C@H]1C ZINC000094098867 728479621 /nfs/dbraw/zinc/47/96/21/728479621.db2.gz JJIKYDQHRYLAQH-DOMZBBRYSA-N -1 3 354.472 2.805 20 10 FFCDHM Cc1cc(CN2CCN(Cc3c([O-])cccc3Br)CC2)on1 ZINC000862217039 730676987 /nfs/dbraw/zinc/67/69/87/730676987.db2.gz SUVLJLRSOYSJFH-UHFFFAOYSA-N -1 3 366.259 2.769 20 10 FFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1c([O-])cccc1Br ZINC000862216111 730677052 /nfs/dbraw/zinc/67/70/52/730677052.db2.gz RQMCTOSBRAWUSB-LBPRGKRZSA-N -1 3 360.273 2.635 20 10 FFCDHM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862337084 730689829 /nfs/dbraw/zinc/68/98/29/730689829.db2.gz QITNBMGLTFYUQA-RISCZKNCSA-N -1 3 354.244 2.725 20 10 FFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862352119 730690823 /nfs/dbraw/zinc/69/08/23/730690823.db2.gz ZRBRAZSJJVEACM-MLGOLLRUSA-N -1 3 356.260 2.925 20 10 FFCDHM CS(=O)(=O)N1CCN(Cc2cc(Cl)ccc2[O-])Cc2ccccc21 ZINC000770378346 737620297 /nfs/dbraw/zinc/62/02/97/737620297.db2.gz DKOWRQANDLUJKN-UHFFFAOYSA-N -1 3 366.870 2.827 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCn3cnc(C(F)(F)F)c3C2)c1[O-] ZINC000880269308 732877314 /nfs/dbraw/zinc/87/73/14/732877314.db2.gz DMTKAESBFYGCDQ-UHFFFAOYSA-N -1 3 357.307 2.965 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000781907900 738670882 /nfs/dbraw/zinc/67/08/82/738670882.db2.gz HFWSMUBGSVIIKZ-LBPRGKRZSA-N -1 3 354.166 2.962 20 10 FFCDHM CC[C@H]1c2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000890612201 734323889 /nfs/dbraw/zinc/32/38/89/734323889.db2.gz JMEMDEGTULSVIV-INIZCTEOSA-N -1 3 360.435 2.871 20 10 FFCDHM COC(=O)CN(Cc1ccoc1C(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000732202832 734723474 /nfs/dbraw/zinc/72/34/74/734723474.db2.gz GHIDLHMGGIVCNZ-UHFFFAOYSA-N -1 3 367.785 2.600 20 10 FFCDHM O=C1CC[C@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CC[C@H]2N1 ZINC000895258129 734982208 /nfs/dbraw/zinc/98/22/08/734982208.db2.gz BPENHWJONXLBNX-TVQRCGJNSA-N -1 3 373.678 2.909 20 10 FFCDHM CC[C@H](C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000739962692 735063767 /nfs/dbraw/zinc/06/37/67/735063767.db2.gz OFRJBAZJNGFDPC-BBRMVZONSA-N -1 3 374.934 2.976 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(F)cn1 ZINC000752597057 736000676 /nfs/dbraw/zinc/00/06/76/736000676.db2.gz UAHSXGVYNIWOKP-OAHLLOKOSA-N -1 3 363.820 2.974 20 10 FFCDHM COc1nn(C)cc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000903337353 736077249 /nfs/dbraw/zinc/07/72/49/736077249.db2.gz IQENFPJHXQTDQK-MRVPVSSYSA-N -1 3 358.211 2.887 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342137 736077764 /nfs/dbraw/zinc/07/77/64/736077764.db2.gz XGZBCWAVZLBOKX-VIFPVBQESA-N -1 3 357.332 2.782 20 10 FFCDHM CS(=O)(=O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000800534598 740532430 /nfs/dbraw/zinc/53/24/30/740532430.db2.gz PZRBBNIDAIMXKB-ZDUSSCGKSA-N -1 3 362.289 2.554 20 10 FFCDHM COC(=O)CN(Cc1ccnc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000762925156 736882787 /nfs/dbraw/zinc/88/27/87/736882787.db2.gz CTLVVYIRJLHLNO-UHFFFAOYSA-N -1 3 350.802 2.624 20 10 FFCDHM O=C(Cc1n[nH]c2c1CCCC2)NCc1cccc(Br)c1[O-] ZINC000765766197 737156497 /nfs/dbraw/zinc/15/64/97/737156497.db2.gz VQSFJOVLBTUCAF-UHFFFAOYSA-N -1 3 364.243 2.616 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cccs2)C2CC2)c1 ZINC000769655382 737550879 /nfs/dbraw/zinc/55/08/79/737550879.db2.gz ZOMURXTXLGQBDA-OAHLLOKOSA-N -1 3 366.464 2.706 20 10 FFCDHM CCc1ocnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771061002 737690873 /nfs/dbraw/zinc/69/08/73/737690873.db2.gz ZZCCLMDEPGUENL-CQSZACIVSA-N -1 3 363.845 2.990 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1c(F)cccc1F ZINC000919812223 737878382 /nfs/dbraw/zinc/87/83/82/737878382.db2.gz RKTRNUOYPZWYPO-SECBINFHSA-N -1 3 370.377 2.533 20 10 FFCDHM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928710896 738898482 /nfs/dbraw/zinc/89/84/82/738898482.db2.gz XFWPDSFALHHDNQ-CYBMUJFWSA-N -1 3 372.462 2.794 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3COC(=O)N3)CC2)c1[O-] ZINC000932780281 739516512 /nfs/dbraw/zinc/51/65/12/739516512.db2.gz PQFIPPUBBDNLKO-OAHLLOKOSA-N -1 3 352.818 2.569 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2COC(=O)N(C)C)c1[O-] ZINC000796551665 740153148 /nfs/dbraw/zinc/15/31/48/740153148.db2.gz ZCGKAHVAIFDTQH-OAHLLOKOSA-N -1 3 352.406 2.787 20 10 FFCDHM COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(Br)cc1[O-] ZINC000824938127 743181988 /nfs/dbraw/zinc/18/19/88/743181988.db2.gz GASJIHHOOAPDMT-ZDUSSCGKSA-N -1 3 360.248 2.553 20 10 FFCDHM CC1(C)CCN(Cc2ccc(Br)cc2[O-])CCS1(=O)=O ZINC000825715686 743317151 /nfs/dbraw/zinc/31/71/51/743317151.db2.gz DDCBGPDZGYATOI-UHFFFAOYSA-N -1 3 362.289 2.554 20 10 FFCDHM CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825774577 743325296 /nfs/dbraw/zinc/32/52/96/743325296.db2.gz YRLAJUVMWGZLGC-CYBMUJFWSA-N -1 3 362.289 2.554 20 10 FFCDHM CN(CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000835078610 745946866 /nfs/dbraw/zinc/94/68/66/745946866.db2.gz UUFXAHATGHNKOF-UHFFFAOYSA-N -1 3 359.810 2.910 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1(C)C ZINC000837157657 746381354 /nfs/dbraw/zinc/38/13/54/746381354.db2.gz ICQWREMJEVDBDF-UHFFFAOYSA-N -1 3 350.415 2.569 20 10 FFCDHM CCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000838332237 746620662 /nfs/dbraw/zinc/62/06/62/746620662.db2.gz WMLSMGXVCKNYCZ-OAHLLOKOSA-N -1 3 354.472 2.852 20 10 FFCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000840916150 747223777 /nfs/dbraw/zinc/22/37/77/747223777.db2.gz XULIFSRHOIZHPS-UHFFFAOYSA-N -1 3 351.424 2.965 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)cc1F ZINC001116014105 1032063963 /nfs/dbraw/zinc/06/39/63/1032063963.db2.gz DCVAYPCZTYHUAU-UHFFFAOYSA-N -1 3 360.433 2.725 20 10 FFCDHM O=C1N(Cc2ncccn2)CC[C@@]12CCCN2Cc1ccc(Cl)cc1[O-] ZINC001275895531 1013154988 /nfs/dbraw/zinc/15/49/88/1013154988.db2.gz KYSBPKAIZCZMAD-IBGZPJMESA-N -1 3 372.856 2.603 20 10 FFCDHM COC(C)(C)CN1CC[C@@]2(CCCN2Cc2cccc(F)c2[O-])C1=O ZINC001276086504 1013433676 /nfs/dbraw/zinc/43/36/76/1013433676.db2.gz RUQRJTRHYQBQFB-IBGZPJMESA-N -1 3 350.434 2.523 20 10 FFCDHM O=C(N1CC=CC1)[C@@]12C[C@@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001279983504 964141042 /nfs/dbraw/zinc/14/10/42/964141042.db2.gz WTPUJJRJOWLVIN-SUMWQHHRSA-N -1 3 363.255 2.518 20 10 FFCDHM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(Cc2ccccn2)CC1 ZINC000891805634 965122219 /nfs/dbraw/zinc/12/22/19/965122219.db2.gz NQMVBXMCTIDXIV-UHFFFAOYSA-N -1 3 374.872 2.904 20 10 FFCDHM O=C(N1CC=CC1)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1Br ZINC001280313087 967394818 /nfs/dbraw/zinc/39/48/18/967394818.db2.gz PPOSHCPHPCZQTE-PXAZEXFGSA-N -1 3 363.255 2.518 20 10 FFCDHM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cc(F)c(F)cc2[O-])[nH]1 ZINC001279109298 970063979 /nfs/dbraw/zinc/06/39/79/970063979.db2.gz ZYGWKLQKBVDVBN-GASCZTMLSA-N -1 3 361.392 2.620 20 10 FFCDHM CC(C)(C)NC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271159413 970685998 /nfs/dbraw/zinc/68/59/98/970685998.db2.gz WBVSWJJVNZFDSJ-XOBRGWDASA-N -1 3 360.454 2.645 20 10 FFCDHM CC(C)CN1CC2(CCC1=O)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001271433169 972989711 /nfs/dbraw/zinc/98/97/11/972989711.db2.gz AWPSGNIIESHFIX-UHFFFAOYSA-N -1 3 360.454 2.599 20 10 FFCDHM CCCCN1CC[C@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271434991 972999012 /nfs/dbraw/zinc/99/90/12/972999012.db2.gz ZMFLDDCSJQSCMS-HXUWFJFHSA-N -1 3 360.454 2.743 20 10 FFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001152044948 1032091549 /nfs/dbraw/zinc/09/15/49/1032091549.db2.gz SCERUVBVIDIMSW-LBPRGKRZSA-N -1 3 364.442 2.863 20 10 FFCDHM C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271300 994602892 /nfs/dbraw/zinc/60/28/92/994602892.db2.gz HAYOYQKCXBPQSR-NSHDSACASA-N -1 3 362.813 2.824 20 10 FFCDHM COc1c([O-])c(CN2CCC(=O)N(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000809786178 994612638 /nfs/dbraw/zinc/61/26/38/994612638.db2.gz SHJKXYKBOMAOCL-UHFFFAOYSA-N -1 3 357.366 2.682 20 10 FFCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000844033859 997613675 /nfs/dbraw/zinc/61/36/75/997613675.db2.gz FTUCCNRLONJPKA-UPJWGTAASA-N -1 3 364.442 2.956 20 10 FFCDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1cc(Cl)ccc1O ZINC000846472837 1000323169 /nfs/dbraw/zinc/32/31/69/1000323169.db2.gz NAWJXBXAECZBNM-UHFFFAOYSA-N -1 3 372.812 2.840 20 10 FFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCCc2ccccc21 ZINC000769651011 1000569567 /nfs/dbraw/zinc/56/95/67/1000569567.db2.gz GUJRMTKRRPOXJD-KRWDZBQOSA-N -1 3 374.462 2.913 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001148582574 1001174141 /nfs/dbraw/zinc/17/41/41/1001174141.db2.gz LPDXPNWRYPCNIH-UHFFFAOYSA-N -1 3 371.364 2.703 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001148581153 1001174307 /nfs/dbraw/zinc/17/43/07/1001174307.db2.gz MMOAMVWBLQCPPR-SFHVURJKSA-N -1 3 350.374 2.850 20 10 FFCDHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([N+](=O)[O-])c(OC)c1[O-])N2 ZINC000772180107 1001311859 /nfs/dbraw/zinc/31/18/59/1001311859.db2.gz XJVNTJGIMKBCJK-INIZCTEOSA-N -1 3 359.338 2.514 20 10 FFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790619457 1002448942 /nfs/dbraw/zinc/44/89/42/1002448942.db2.gz FFOYDDFXSQOCFA-OLZOCXBDSA-N -1 3 364.442 2.863 20 10 FFCDHM CC(C)(C)OC(=O)NC1CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203635621 1003238002 /nfs/dbraw/zinc/23/80/02/1003238002.db2.gz BGXGHKCCCNUKPA-UHFFFAOYSA-N -1 3 357.248 2.864 20 10 FFCDHM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000794176912 1003576151 /nfs/dbraw/zinc/57/61/51/1003576151.db2.gz CEIMMYUPBCKRDI-UHFFFAOYSA-N -1 3 362.426 2.785 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(Cl)cn1 ZINC001196254317 1003716177 /nfs/dbraw/zinc/71/61/77/1003716177.db2.gz BRGHVPRMFINZHO-UHFFFAOYSA-N -1 3 351.859 2.814 20 10 FFCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000804845697 1003856524 /nfs/dbraw/zinc/85/65/24/1003856524.db2.gz PRMGHPIKPWJRJP-TYNCELHUSA-N -1 3 364.442 2.862 20 10 FFCDHM Cc1ncc(NS(=O)(=O)c2ccc(N=Nc3ccccc3)cc2)c(=O)[n-]1 ZINC001197196665 1004116128 /nfs/dbraw/zinc/11/61/28/1004116128.db2.gz ABCNWEXCKCFYTM-FVGNFYTDSA-N -1 3 369.406 2.778 20 10 FFCDHM NC(=O)c1csc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001197971194 1004436446 /nfs/dbraw/zinc/43/64/46/1004436446.db2.gz SYGLAULJRIWDGA-UHFFFAOYSA-N -1 3 361.810 2.684 20 10 FFCDHM CCOC(=O)[C@H](C)NC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001199849730 1005040028 /nfs/dbraw/zinc/04/00/28/1005040028.db2.gz KIKGFRLFKANVAB-VIFPVBQESA-N -1 3 367.858 2.510 20 10 FFCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(O)cc1 ZINC001195818458 1005053005 /nfs/dbraw/zinc/05/30/05/1005053005.db2.gz LICCJNSJEJXXKI-UHFFFAOYSA-N -1 3 364.810 2.778 20 10 FFCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2F)C[C@@H](C)O1 ZINC000776341400 1005377404 /nfs/dbraw/zinc/37/74/04/1005377404.db2.gz QGGHYPCEVHXZLE-CHWSQXEVSA-N -1 3 374.412 2.781 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC23CCCCC3)c1 ZINC000855204035 1007174868 /nfs/dbraw/zinc/17/48/68/1007174868.db2.gz TXDBNPJKMYVRSZ-INIZCTEOSA-N -1 3 366.483 2.997 20 10 FFCDHM Cc1ccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)nc1 ZINC001217055819 1032599586 /nfs/dbraw/zinc/59/95/86/1032599586.db2.gz BGXLKWDSPIAMEB-UHFFFAOYSA-N -1 3 352.394 2.645 20 10 FFCDHM O=C1COCC2(CN(Cc3cc(Cl)ccc3[O-])C2)N1CC1CCCC1 ZINC001275253518 1012150711 /nfs/dbraw/zinc/15/07/11/1012150711.db2.gz BULMHGFXOMEZPN-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C(C)(C)C1 ZINC000801514314 1019061917 /nfs/dbraw/zinc/06/19/17/1019061917.db2.gz YPJBQEPSURKFAL-AWEZNQCLSA-N -1 3 364.442 2.863 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707344 1019084548 /nfs/dbraw/zinc/08/45/48/1019084548.db2.gz CWCDCJDDUIKYKB-ORAYPTAESA-N -1 3 364.417 2.795 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000928712224 1019085735 /nfs/dbraw/zinc/08/57/35/1019085735.db2.gz OWHKBERRTFCBPT-OAHLLOKOSA-N -1 3 356.397 2.700 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN1c1ncnc2sccc21 ZINC000928711601 1019087028 /nfs/dbraw/zinc/08/70/28/1019087028.db2.gz JTEOWTFIUBOXAY-CQSZACIVSA-N -1 3 372.425 2.821 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CCC[NH2+]CC3)c1C2=O ZINC001217995669 1032940078 /nfs/dbraw/zinc/94/00/78/1032940078.db2.gz RLQAHIPBERGHSV-ZDUSSCGKSA-N -1 3 367.401 2.703 20 10 FFCDHM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1 ZINC001116864082 1021460469 /nfs/dbraw/zinc/46/04/69/1021460469.db2.gz YDYHATHBCPXLLG-UHFFFAOYSA-N -1 3 367.361 2.713 20 10 FFCDHM Cc1cc(O[C@@H]2CNCC(F)(F)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218273762 1033078706 /nfs/dbraw/zinc/07/87/06/1033078706.db2.gz BXTUBZPJUKIDBD-NSHDSACASA-N -1 3 373.355 2.852 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC3CCC(O)CC3)c12 ZINC001218370272 1033126946 /nfs/dbraw/zinc/12/69/46/1033126946.db2.gz SFDMGCUKGFWBRS-UHFFFAOYSA-N -1 3 358.346 2.745 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[n-]2)c1 ZINC000756741065 1023751865 /nfs/dbraw/zinc/75/18/65/1023751865.db2.gz AZGJJHYKCNBPHS-LLVKDONJSA-N -1 3 370.384 2.954 20 10 FFCDHM CCc1noc(-c2ccc(CCNC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC000193014789 1024348994 /nfs/dbraw/zinc/34/89/94/1024348994.db2.gz JYHGHPTYUVTNQQ-UHFFFAOYSA-N -1 3 353.378 2.683 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nnn(CC)c21 ZINC001203655889 1030809052 /nfs/dbraw/zinc/80/90/52/1030809052.db2.gz DCRUFLMFKSNNIG-ZDUSSCGKSA-N -1 3 350.850 2.793 20 10 FFCDHM NC(=O)[C@@H]1c2ccccc2CCN1Cc1c([O-])cccc1Br ZINC001204730683 1031419385 /nfs/dbraw/zinc/41/93/85/1031419385.db2.gz VHLRUFULXDNWEZ-INIZCTEOSA-N -1 3 361.239 2.739 20 10 FFCDHM NC(=O)[C@H](NCc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC001205262468 1031634911 /nfs/dbraw/zinc/63/49/11/1031634911.db2.gz URLJDNPYKXEFCW-CQSZACIVSA-N -1 3 353.191 2.610 20 10 FFCDHM COCCOc1cccc(N2CCN(Cc3cccc(F)c3[O-])CC2)c1 ZINC001138129405 1033816088 /nfs/dbraw/zinc/81/60/88/1033816088.db2.gz BGMYQAPWEKTBJW-UHFFFAOYSA-N -1 3 360.429 2.879 20 10 FFCDHM COC[C@H](C)OC[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386076 1034662761 /nfs/dbraw/zinc/66/27/61/1034662761.db2.gz WVZKBLSLGKXJMX-QWHCGFSZSA-N -1 3 370.401 2.986 20 10 FFCDHM CO[C@H](C)CO[C@H](C)COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385859 1034662882 /nfs/dbraw/zinc/66/28/82/1034662882.db2.gz VGMZXNIRIYMGKR-CHWSQXEVSA-N -1 3 370.401 2.986 20 10 FFCDHM COC[C@H]1Cn2ccnc2CN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232265933 1035537279 /nfs/dbraw/zinc/53/72/79/1035537279.db2.gz CBXKGNIDETZCFT-GFCCVEGCSA-N -1 3 351.834 2.529 20 10 FFCDHM COc1cc([O-])c(CN2CCn3cc(Cn4cccn4)nc3C2)cc1Cl ZINC001232266289 1035537536 /nfs/dbraw/zinc/53/75/36/1035537536.db2.gz VSFFOKVYADZRMT-UHFFFAOYSA-N -1 3 373.844 2.511 20 10 FFCDHM COc1ccc(N2CCN(Cc3cc(Cl)c(OC)cc3[O-])CC2)nc1 ZINC001232271122 1035540073 /nfs/dbraw/zinc/54/00/73/1035540073.db2.gz NQCHOXNLAOFCNG-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1cc(Cl)c([O-])cc1O ZINC001277665726 1035692556 /nfs/dbraw/zinc/69/25/56/1035692556.db2.gz PHFIIFIQSSYSRY-MRXNPFEDSA-N -1 3 360.788 2.583 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3c([O-])cc(Br)cc3F)CC[C@@H]21 ZINC001233033945 1036274120 /nfs/dbraw/zinc/27/41/20/1036274120.db2.gz YWDAKUXNRVSMOU-YGRLFVJLSA-N -1 3 371.250 2.737 20 10 FFCDHM CCC(=O)N[C@@H]1CCCN(Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233142973 1036394296 /nfs/dbraw/zinc/39/42/96/1036394296.db2.gz TXFKUTUMBCBNKF-GFCCVEGCSA-N -1 3 371.275 2.654 20 10 FFCDHM COCC(COC)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543027 1036732321 /nfs/dbraw/zinc/73/23/21/1036732321.db2.gz UMEDTPNTWMLPLN-UHFFFAOYSA-N -1 3 356.374 2.516 20 10 FFCDHM Cc1cc(O[C@H]2CN3CCC2CC3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543152 1036733318 /nfs/dbraw/zinc/73/33/18/1036733318.db2.gz WDEMHGWJWFZILT-SFHVURJKSA-N -1 3 363.413 2.949 20 10 FFCDHM Cc1noc([C@@H]2CCN(Cc3cc(F)cc(Br)c3[O-])C2)n1 ZINC001235305605 1037464223 /nfs/dbraw/zinc/46/42/23/1037464223.db2.gz OUIQDVGHBIVZCB-SECBINFHSA-N -1 3 356.195 2.975 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447879 1037584382 /nfs/dbraw/zinc/58/43/82/1037584382.db2.gz XQORGXBPENLLRY-IBGZPJMESA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447879 1037584395 /nfs/dbraw/zinc/58/43/95/1037584395.db2.gz XQORGXBPENLLRY-IBGZPJMESA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449992 1037588326 /nfs/dbraw/zinc/58/83/26/1037588326.db2.gz OZJVXWSXWXJIME-GJZGRUSLSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449992 1037588334 /nfs/dbraw/zinc/58/83/34/1037588334.db2.gz OZJVXWSXWXJIME-GJZGRUSLSA-N -1 3 362.426 2.532 20 10 FFCDHM CN(C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC001231452904 1037595500 /nfs/dbraw/zinc/59/55/00/1037595500.db2.gz HMBKRKXTDRORKJ-OAHLLOKOSA-N -1 3 364.442 2.922 20 10 FFCDHM CN(C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC001231452904 1037595516 /nfs/dbraw/zinc/59/55/16/1037595516.db2.gz HMBKRKXTDRORKJ-OAHLLOKOSA-N -1 3 364.442 2.922 20 10 FFCDHM COc1cc(CN(C)Cc2cc(C(=O)[O-])ccc2O)cc(OC)c1OC ZINC001231565351 1037689868 /nfs/dbraw/zinc/68/98/68/1037689868.db2.gz UCGDAXYXPVOIIV-UHFFFAOYSA-N -1 3 361.394 2.748 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc3ccccc3c2[O-])[C@H](CO)C1 ZINC001231878232 1037972377 /nfs/dbraw/zinc/97/23/77/1037972377.db2.gz HEWHQUKRIDBDNR-KRWDZBQOSA-N -1 3 372.465 2.959 20 10 FFCDHM CC(=O)N1CCC2(CN(Cc3cc(C)cc(Br)c3[O-])C2)C1 ZINC001236664132 1038179604 /nfs/dbraw/zinc/17/96/04/1038179604.db2.gz CNULTCMXQVGKKO-UHFFFAOYSA-N -1 3 353.260 2.517 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3ncccc3F)CC2)c(Cl)c1 ZINC001236806205 1038280871 /nfs/dbraw/zinc/28/08/71/1038280871.db2.gz QGISRZHKYHCNSI-UHFFFAOYSA-N -1 3 351.809 2.911 20 10 FFCDHM COc1cc([O-])c(CN2CCc3ncncc3C2)c(Br)c1 ZINC001237073580 1038436047 /nfs/dbraw/zinc/43/60/47/1038436047.db2.gz SUBUDYAJFXAKLO-UHFFFAOYSA-N -1 3 350.216 2.512 20 10 FFCDHM Cc1noc(C)c1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001258732509 1039495073 /nfs/dbraw/zinc/49/50/73/1039495073.db2.gz YJNCKYDNOZIKFN-UHFFFAOYSA-N -1 3 367.814 2.677 20 10 FFCDHM CCn1ccnc1CN1C[C@@H]2CCN(Cc3c(F)ccc(F)c3[O-])[C@@H]2C1 ZINC001278686302 1039772717 /nfs/dbraw/zinc/77/27/17/1039772717.db2.gz CRCLABAIHVLGIR-SUMWQHHRSA-N -1 3 362.424 2.593 20 10 FFCDHM CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001278687529 1039783747 /nfs/dbraw/zinc/78/37/47/1039783747.db2.gz NQIPWJHWCPVAGG-IRXDYDNUSA-N -1 3 362.424 2.736 20 10 FFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)ccc1O ZINC001259430828 1039997589 /nfs/dbraw/zinc/99/75/89/1039997589.db2.gz GYBIDNBGEGNLOY-UHFFFAOYSA-N -1 3 373.333 2.581 20 10 FFCDHM CCn1ccnc1CN1C[C@@H]2CCN(Cc3c([O-])cc(F)cc3F)[C@@H]2C1 ZINC001278606071 1041394932 /nfs/dbraw/zinc/39/49/32/1041394932.db2.gz QXMUSAFXKIKDRW-SUMWQHHRSA-N -1 3 362.424 2.593 20 10 FFCDHM CC[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@@H](C)O1 ZINC001262926731 1041967515 /nfs/dbraw/zinc/96/75/15/1041967515.db2.gz MIPRDKLOKYTFQW-MNOVXSKESA-N -1 3 359.455 2.801 20 10 FFCDHM COC1(CC(=O)N2CCC3(CN(Cc4cccc(F)c4[O-])C3)C2)CCC1 ZINC001279524985 1043224202 /nfs/dbraw/zinc/22/42/02/1043224202.db2.gz AORKUUIEFTVWBR-UHFFFAOYSA-N -1 3 362.445 2.525 20 10 FFCDHM CC(C)O[C@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237781796 1043354011 /nfs/dbraw/zinc/35/40/11/1043354011.db2.gz ASTMYWRKYXJGFD-LBPRGKRZSA-N -1 3 361.223 2.996 20 10 FFCDHM CCOC1CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237780920 1043353819 /nfs/dbraw/zinc/35/38/19/1043353819.db2.gz ZEPMACYUAVAZMH-UHFFFAOYSA-N -1 3 361.223 2.998 20 10 FFCDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000756364647 1043598557 /nfs/dbraw/zinc/59/85/57/1043598557.db2.gz OXGABCJWPAZISP-SFHVURJKSA-N -1 3 362.376 2.717 20 10 FFCDHM CC(C)(C)NC(=O)[C@H]1CC12CN(Cc1cc(Br)ccc1[O-])C2 ZINC001279983326 1044034489 /nfs/dbraw/zinc/03/44/89/1044034489.db2.gz UIQXWHUEBMGLMN-CYBMUJFWSA-N -1 3 367.287 2.891 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1C[C@H](O)CC2(CCOCC2)C1 ZINC001332025542 1048216269 /nfs/dbraw/zinc/21/62/69/1048216269.db2.gz QDLBPMNKMOZBRX-CYBMUJFWSA-N -1 3 374.250 2.657 20 10 FFCDHM O=C(Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1)c1ccco1 ZINC001290805705 1048400582 /nfs/dbraw/zinc/40/05/82/1048400582.db2.gz CDFIHHVJMMIFBW-UHFFFAOYSA-N -1 3 352.346 2.873 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCO[C@@H](C)C1 ZINC001340213608 1050621246 /nfs/dbraw/zinc/62/12/46/1050621246.db2.gz CPEUGZSOYUGBBS-NSHDSACASA-N -1 3 359.455 2.896 20 10 FFCDHM CC(=O)NC[C@@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001308892950 1052514054 /nfs/dbraw/zinc/51/40/54/1052514054.db2.gz PZTDQVILXJCFEQ-AWEZNQCLSA-N -1 3 355.276 2.954 20 10 FFCDHM Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001348856217 1054964806 /nfs/dbraw/zinc/96/48/06/1054964806.db2.gz UNIFCDJFYGQSTA-UHFFFAOYSA-N -1 3 374.416 2.567 20 10 FFCDHM O=C(NC1CC1)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001338235853 1055346164 /nfs/dbraw/zinc/34/61/64/1055346164.db2.gz VHJXOVCPFDOBSG-SNVBAGLBSA-N -1 3 371.250 2.784 20 10 FFCDHM CO[C@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001520625010 1059887813 /nfs/dbraw/zinc/88/78/13/1059887813.db2.gz HMUMNAXVJHGFPR-LBPRGKRZSA-N -1 3 371.466 2.896 20 10 FFCDHM O=C(NCCOc1ncccc1C(F)(F)F)NCc1c([O-])cccc1F ZINC001469454799 1064149984 /nfs/dbraw/zinc/14/99/84/1064149984.db2.gz TYOGGJLHPOGOAM-UHFFFAOYSA-N -1 3 373.306 2.823 20 10 FFCDHM Cn1nc(C(F)(F)F)c2cc(C(=O)NCc3c([O-])cccc3F)cnc21 ZINC001471976337 1064876593 /nfs/dbraw/zinc/87/65/93/1064876593.db2.gz WYISBRUOEJKNFH-UHFFFAOYSA-N -1 3 368.290 2.762 20 10 FFCDHM O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1c([O-])cccc1F ZINC001471975165 1064876635 /nfs/dbraw/zinc/87/66/35/1064876635.db2.gz RKGFGSRFTBDCHU-UHFFFAOYSA-N -1 3 364.760 2.799 20 10 FFCDHM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474510528 1065539906 /nfs/dbraw/zinc/53/99/06/1065539906.db2.gz KPXQGPYAZZUERB-KGLIPLIRSA-N -1 3 370.396 2.540 20 10 FFCDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCc1c(O)ccc2ccccc21 ZINC001582059943 1079023147 /nfs/dbraw/zinc/02/31/47/1079023147.db2.gz OHCZWMSCIQCWLP-UHFFFAOYSA-N -1 3 373.416 2.975 20 10 FFCDHM CO[C@H]1C[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968276 1076314538 /nfs/dbraw/zinc/31/45/38/1076314538.db2.gz JAHPEERSHYABJT-CABCVRRESA-N -1 3 361.392 2.675 20 10 FFCDHM C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590006562 1080932518 /nfs/dbraw/zinc/93/25/18/1080932518.db2.gz AAGSNXYOSPJSJH-LXSSAFMLSA-N -1 3 352.350 2.596 20 10 FFCDHM C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590006562 1080932527 /nfs/dbraw/zinc/93/25/27/1080932527.db2.gz AAGSNXYOSPJSJH-LXSSAFMLSA-N -1 3 352.350 2.596 20 10 FFCDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042322 1080967666 /nfs/dbraw/zinc/96/76/66/1080967666.db2.gz GKAIQATUFYYYBJ-CRALRDPISA-N -1 3 365.393 2.511 20 10 FFCDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042322 1080967673 /nfs/dbraw/zinc/96/76/73/1080967673.db2.gz GKAIQATUFYYYBJ-CRALRDPISA-N -1 3 365.393 2.511 20 10 FFCDHM CCC(=O)N1CCCN(Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000092186879 508048531 /nfs/dbraw/zinc/04/85/31/508048531.db2.gz RQALJGCPKZRRLO-UHFFFAOYSA-N -1 3 371.275 2.608 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125787839 509029567 /nfs/dbraw/zinc/02/95/67/509029567.db2.gz ZHQRNVACAKVROQ-MLGOLLRUSA-N -1 3 350.846 2.739 20 10 FFCDHM O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1ccc([O-])c(F)c1 ZINC000156227940 509147348 /nfs/dbraw/zinc/14/73/48/509147348.db2.gz KFLBQTKPWYSSDB-XBXARRHUSA-N -1 3 356.397 2.698 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c([O-])c1O ZINC000179452560 509450846 /nfs/dbraw/zinc/45/08/46/509450846.db2.gz WADDGETVFNNEEG-UHFFFAOYSA-N -1 3 360.435 2.502 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1[O-] ZINC000177250550 509959727 /nfs/dbraw/zinc/95/97/27/509959727.db2.gz WTZRQESWFDVTKR-QGZVFWFLSA-N -1 3 360.385 2.608 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)NCc2ccco2)c1[O-] ZINC000177250562 509960043 /nfs/dbraw/zinc/96/00/43/509960043.db2.gz WTZRQESWFDVTKR-KRWDZBQOSA-N -1 3 360.385 2.608 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000181804984 510603258 /nfs/dbraw/zinc/60/32/58/510603258.db2.gz MALYUNXLBPHFOR-KRWDZBQOSA-N -1 3 365.426 2.609 20 10 FFCDHM Cn1cc(-c2cc(CN(Cc3ccccc3[O-])C[C@@H]3CCCO3)on2)cn1 ZINC000185032868 510645195 /nfs/dbraw/zinc/64/51/95/510645195.db2.gz TUVQOKFWLKQFBP-KRWDZBQOSA-N -1 3 368.437 2.962 20 10 FFCDHM C[C@H]1CN(Cc2ccccc2NC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000188212149 510650588 /nfs/dbraw/zinc/65/05/88/510650588.db2.gz WIEYTHIKHOTYJC-KBPBESRZSA-N -1 3 356.422 2.959 20 10 FFCDHM Cc1ccc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c([O-])c1O ZINC000181930237 510666358 /nfs/dbraw/zinc/66/63/58/510666358.db2.gz XAXOQJBUIDQBEY-UHFFFAOYSA-N -1 3 366.421 2.537 20 10 FFCDHM CCO[C@@H]1C[C@](NCc2cc(F)cc(C(C)=O)c2[O-])(C(=O)OC)C1(C)C ZINC000275529654 510903219 /nfs/dbraw/zinc/90/32/19/510903219.db2.gz KJJJUIYRKXVJMU-BEFAXECRSA-N -1 3 367.417 2.570 20 10 FFCDHM CC[C@H](N[C@H](C(N)=O)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000297428715 510942265 /nfs/dbraw/zinc/94/22/65/510942265.db2.gz VDBLPHQDMBGLBN-WFASDCNBSA-N -1 3 364.243 2.817 20 10 FFCDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)cc1OC ZINC000277522309 510965042 /nfs/dbraw/zinc/96/50/42/510965042.db2.gz YUTVSDRMFAJBIA-MRXNPFEDSA-N -1 3 357.406 2.944 20 10 FFCDHM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CN1C1CC1 ZINC000277613659 510967062 /nfs/dbraw/zinc/96/70/62/510967062.db2.gz VWCLQSQGPXVKTG-PWSUYJOCSA-N -1 3 368.275 2.579 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C3CCOCC3)C[C@@H]2C)c1[O-] ZINC000278677818 511003020 /nfs/dbraw/zinc/00/30/20/511003020.db2.gz OOVJMGCJWOSRIL-ZDUSSCGKSA-N -1 3 366.889 2.933 20 10 FFCDHM CN(Cc1ncnn1CC(F)F)Cc1cc(Br)ccc1[O-] ZINC000279079232 511018352 /nfs/dbraw/zinc/01/83/52/511018352.db2.gz RUDALEITXAWZPP-UHFFFAOYSA-N -1 3 361.190 2.643 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000287597846 511053033 /nfs/dbraw/zinc/05/30/33/511053033.db2.gz YPNKOMPONOLWHT-ZDUSSCGKSA-N -1 3 350.846 2.693 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000288535229 511079353 /nfs/dbraw/zinc/07/93/53/511079353.db2.gz KLPOQWCQFSRATL-WBMJQRKESA-N -1 3 350.758 2.538 20 10 FFCDHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271399592 511191086 /nfs/dbraw/zinc/19/10/86/511191086.db2.gz NJDSMVSHFRDMMS-IUODEOHRSA-N -1 3 354.472 2.805 20 10 FFCDHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000365143513 511282920 /nfs/dbraw/zinc/28/29/20/511282920.db2.gz ZHWVLINGHRQUHE-LBPRGKRZSA-N -1 3 362.407 2.708 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1[O-] ZINC000295790244 511515690 /nfs/dbraw/zinc/51/56/90/511515690.db2.gz ZMEWEYZAEKUAAV-UONOGXRCSA-N -1 3 356.397 2.515 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000273479986 511528014 /nfs/dbraw/zinc/52/80/14/511528014.db2.gz LUKZJUDPRPKBJQ-LLVKDONJSA-N -1 3 356.378 2.707 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000273610869 511550513 /nfs/dbraw/zinc/55/05/13/511550513.db2.gz VTJZLKZODUXHLJ-RDTXWAMCSA-N -1 3 370.449 2.529 20 10 FFCDHM COc1cccc2c1OCC[C@H]2NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365829618 511674499 /nfs/dbraw/zinc/67/44/99/511674499.db2.gz XYKQJWMQCIZKMO-CYBMUJFWSA-N -1 3 360.366 2.931 20 10 FFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCOC[C@H]1c1ncon1 ZINC000371804764 512581586 /nfs/dbraw/zinc/58/15/86/512581586.db2.gz ZSMIHOSAMKEZFV-SFHVURJKSA-N -1 3 367.405 2.928 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC[C@@H]1CCCOC1 ZINC000530197719 517620356 /nfs/dbraw/zinc/62/03/56/517620356.db2.gz SZXVLJCQAQAOLR-LBPRGKRZSA-N -1 3 352.818 2.627 20 10 FFCDHM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)o1 ZINC000527585284 517773175 /nfs/dbraw/zinc/77/31/75/517773175.db2.gz ZEIPDMJOFAOYMF-UHFFFAOYSA-N -1 3 372.421 2.651 20 10 FFCDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc(N2CC=CC2)cc1 ZINC000738357661 598973678 /nfs/dbraw/zinc/97/36/78/598973678.db2.gz HUWIKBKDKQOALC-UHFFFAOYSA-N -1 3 363.381 2.763 20 10 FFCDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CC=CC2)cc1 ZINC000738357661 598973679 /nfs/dbraw/zinc/97/36/79/598973679.db2.gz HUWIKBKDKQOALC-UHFFFAOYSA-N -1 3 363.381 2.763 20 10 FFCDHM Cc1cc(C(=O)OCc2ccno2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240417 598621442 /nfs/dbraw/zinc/62/14/42/598621442.db2.gz FXOVNVNQQROYRY-UHFFFAOYSA-N -1 3 364.365 2.619 20 10 FFCDHM CCCC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736410934 599605614 /nfs/dbraw/zinc/60/56/14/599605614.db2.gz MMIVARAHOMQATA-UHFFFAOYSA-N -1 3 367.409 2.800 20 10 FFCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830830538 601616319 /nfs/dbraw/zinc/61/63/19/601616319.db2.gz GVCGYPNJIBLQAW-UHFFFAOYSA-N -1 3 358.413 2.993 20 10 FFCDHM COc1ccc(-c2nnn[n-]2)cc1CN(C)c1ccc(OC)c(OC)c1 ZINC000826181665 607519577 /nfs/dbraw/zinc/51/95/77/607519577.db2.gz JTPPJYONFGQTLR-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1ccc(-c2nn[n-]n2)cc1CN(C)c1ccc(OC)c(OC)c1 ZINC000826181665 607519579 /nfs/dbraw/zinc/51/95/79/607519579.db2.gz JTPPJYONFGQTLR-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM O=C([O-])N(CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000740490755 602057150 /nfs/dbraw/zinc/05/71/50/602057150.db2.gz ZHYZSYRQXLRXFM-UHFFFAOYSA-N -1 3 362.430 2.817 20 10 FFCDHM COc1ccc(N(C)Cc2cn3ccccc3c2-c2nnn[n-]2)c(OC)c1 ZINC000826208948 607753812 /nfs/dbraw/zinc/75/38/12/607753812.db2.gz GXCURCYIQKTBPQ-UHFFFAOYSA-N -1 3 364.409 2.773 20 10 FFCDHM COc1ccc(N(C)Cc2cn3ccccc3c2-c2nn[n-]n2)c(OC)c1 ZINC000826208948 607753813 /nfs/dbraw/zinc/75/38/13/607753813.db2.gz GXCURCYIQKTBPQ-UHFFFAOYSA-N -1 3 364.409 2.773 20 10 FFCDHM CN(CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC000825923591 607927218 /nfs/dbraw/zinc/92/72/18/607927218.db2.gz NPMFPYGJRUEDIS-UHFFFAOYSA-N -1 3 353.382 2.501 20 10 FFCDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000825352608 607974948 /nfs/dbraw/zinc/97/49/48/607974948.db2.gz NZFUZDLAVNSREG-UHFFFAOYSA-N -1 3 366.381 2.713 20 10 FFCDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000825352608 607974949 /nfs/dbraw/zinc/97/49/49/607974949.db2.gz NZFUZDLAVNSREG-UHFFFAOYSA-N -1 3 366.381 2.713 20 10 FFCDHM CN(Cc1ccccc1O)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000825981109 608015900 /nfs/dbraw/zinc/01/59/00/608015900.db2.gz OZVCLALKQSDNJB-UHFFFAOYSA-N -1 3 350.304 2.623 20 10 FFCDHM CN(Cc1ccccc1O)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000825981109 608015901 /nfs/dbraw/zinc/01/59/01/608015901.db2.gz OZVCLALKQSDNJB-UHFFFAOYSA-N -1 3 350.304 2.623 20 10 FFCDHM COc1ccc2c(c1)CCCN2Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826213041 608355591 /nfs/dbraw/zinc/35/55/91/608355591.db2.gz JLOWXYVVSSICMX-UHFFFAOYSA-N -1 3 351.410 2.837 20 10 FFCDHM COc1ccc2c(c1)CCCN2Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826213041 608355593 /nfs/dbraw/zinc/35/55/93/608355593.db2.gz JLOWXYVVSSICMX-UHFFFAOYSA-N -1 3 351.410 2.837 20 10 FFCDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000161180820 728929502 /nfs/dbraw/zinc/92/95/02/728929502.db2.gz KKBRSBLJMNDVJW-MRVPVSSYSA-N -1 3 361.341 2.858 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000092614471 728469418 /nfs/dbraw/zinc/46/94/18/728469418.db2.gz ZGLFLFOQNDPEQX-UHFFFAOYSA-N -1 3 356.804 2.955 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN(CCO)CCOCC(F)(F)F)c1[O-] ZINC000177168068 729130048 /nfs/dbraw/zinc/13/00/48/729130048.db2.gz NCYJYEIJHRSQTO-UHFFFAOYSA-N -1 3 369.767 2.621 20 10 FFCDHM O=S1(=O)Cc2ccccc2[C@H](NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000857057813 730376506 /nfs/dbraw/zinc/37/65/06/730376506.db2.gz DZJLVVCVKRZKRE-OAHLLOKOSA-N -1 3 355.818 2.944 20 10 FFCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CC2(CCOCC2)O1 ZINC000862351862 730690783 /nfs/dbraw/zinc/69/07/83/730690783.db2.gz UCCLTTUMQIZEAZ-LBPRGKRZSA-N -1 3 356.260 2.925 20 10 FFCDHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876545101 732255518 /nfs/dbraw/zinc/25/55/18/732255518.db2.gz AFHZVOXNWCOMNU-SNVBAGLBSA-N -1 3 356.394 2.511 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926404580 738611264 /nfs/dbraw/zinc/61/12/64/738611264.db2.gz ZJJHYQIIFNNAAP-ZANVPECISA-N -1 3 350.312 2.831 20 10 FFCDHM [O-]c1c(F)cc(F)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000883120508 733338190 /nfs/dbraw/zinc/33/81/90/733338190.db2.gz FUZWMYGTFXRGAF-GFCCVEGCSA-N -1 3 350.365 2.771 20 10 FFCDHM CC[C@@H](CO)Nc1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000893514721 734712704 /nfs/dbraw/zinc/71/27/04/734712704.db2.gz DQGNGLGNJNPWBE-NSHDSACASA-N -1 3 367.247 2.740 20 10 FFCDHM Cc1occc1C(=O)NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893996178 734783862 /nfs/dbraw/zinc/78/38/62/734783862.db2.gz UOYFQALSVWFJPY-UHFFFAOYSA-N -1 3 350.365 2.966 20 10 FFCDHM O=C([C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1)N1CCCC1 ZINC000894780427 734915610 /nfs/dbraw/zinc/91/56/10/734915610.db2.gz CVQUSOCETSPVNK-NSHDSACASA-N -1 3 371.250 2.738 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(Cn2cnnc2)CC1 ZINC000895137764 734967719 /nfs/dbraw/zinc/96/77/19/734967719.db2.gz WZCDVJJYZBYHKI-UHFFFAOYSA-N -1 3 369.238 2.798 20 10 FFCDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758168529 736458001 /nfs/dbraw/zinc/45/80/01/736458001.db2.gz BMHVQWNOJWSVNF-UHFFFAOYSA-N -1 3 357.334 2.648 20 10 FFCDHM CN(C)c1ccncc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765731243 737150244 /nfs/dbraw/zinc/15/02/44/737150244.db2.gz IMTYAYSKMVKUMR-UHFFFAOYSA-N -1 3 350.216 2.546 20 10 FFCDHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769765555 737564423 /nfs/dbraw/zinc/56/44/23/737564423.db2.gz CDZQGWIYNJKULO-IUODEOHRSA-N -1 3 354.472 2.852 20 10 FFCDHM CCCCC[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770030810 737590345 /nfs/dbraw/zinc/59/03/45/737590345.db2.gz SQBRFEHAAKAEAE-AWEZNQCLSA-N -1 3 354.472 2.949 20 10 FFCDHM O=S(=O)(CCCOCc1ccccc1)NCc1c([O-])cccc1F ZINC000921452753 737986734 /nfs/dbraw/zinc/98/67/34/737986734.db2.gz YNGSQHLMKXCMTC-UHFFFAOYSA-N -1 3 353.415 2.558 20 10 FFCDHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(Br)c1[O-] ZINC000776015146 738152124 /nfs/dbraw/zinc/15/21/24/738152124.db2.gz UNSXTMKEMNQYIZ-OLZOCXBDSA-N -1 3 372.259 2.697 20 10 FFCDHM CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710151 738898361 /nfs/dbraw/zinc/89/83/61/738898361.db2.gz OWVFRJMWKHJVHO-UHFFFAOYSA-N -1 3 352.406 2.841 20 10 FFCDHM Cc1cc(Br)cc(C)c1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000929740183 739016702 /nfs/dbraw/zinc/01/67/02/739016702.db2.gz ITAUVDAKSROLLC-NSHDSACASA-N -1 3 367.247 2.699 20 10 FFCDHM O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cccc(O)c1[O-] ZINC000800661262 740541124 /nfs/dbraw/zinc/54/11/24/740541124.db2.gz QWHQWACTBPKYTD-NSHDSACASA-N -1 3 368.158 2.863 20 10 FFCDHM CN(C)Cc1cnc(CNCc2cccc(Br)c2[O-])s1 ZINC000809654842 741328559 /nfs/dbraw/zinc/32/85/59/741328559.db2.gz RCHLJAKEJKLJGL-UHFFFAOYSA-N -1 3 356.289 2.963 20 10 FFCDHM CCOC(=O)C1(COC)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816596773 742045914 /nfs/dbraw/zinc/04/59/14/742045914.db2.gz PWVWVYWLUIMBBC-UHFFFAOYSA-N -1 3 359.825 2.976 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000825278855 743239696 /nfs/dbraw/zinc/23/96/96/743239696.db2.gz JTMXTWSXXUDWOB-CYBMUJFWSA-N -1 3 370.291 2.699 20 10 FFCDHM COC(=O)[C@@H](CC(F)(F)F)NCc1ccc(Br)cc1[O-] ZINC000825671857 743308922 /nfs/dbraw/zinc/30/89/22/743308922.db2.gz QVJUYIUYJMKVAZ-SECBINFHSA-N -1 3 356.138 2.738 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CC(O)(c2ccc(Br)cc2)C1 ZINC000827757677 744972167 /nfs/dbraw/zinc/97/21/67/744972167.db2.gz IAJRWNPAVLZULT-UHFFFAOYSA-N -1 3 352.203 2.997 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1c([O-])cccc1F)C(F)F ZINC000830180125 745319028 /nfs/dbraw/zinc/31/90/28/745319028.db2.gz IDIRWSCKYXBVMU-LLVKDONJSA-N -1 3 362.348 2.696 20 10 FFCDHM CN(C(=O)c1cccc(O)c1[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000836874938 746322742 /nfs/dbraw/zinc/32/27/42/746322742.db2.gz ZYNYTZGOBPVFPL-UHFFFAOYSA-N -1 3 350.415 2.617 20 10 FFCDHM Cc1ccc(CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C(C)C)s1 ZINC000846241366 748438186 /nfs/dbraw/zinc/43/81/86/748438186.db2.gz HGDUXUYDSGOGSK-UHFFFAOYSA-N -1 3 360.439 2.914 20 10 FFCDHM COc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000737054669 944939738 /nfs/dbraw/zinc/93/97/38/944939738.db2.gz UHAPMHXEHOJRJK-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM COc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000737054669 944939740 /nfs/dbraw/zinc/93/97/40/944939740.db2.gz UHAPMHXEHOJRJK-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM O=C1N(Cc2cnoc2)CC[C@@]12CCCN2Cc1ccc(Cl)cc1[O-] ZINC001275896327 1013158246 /nfs/dbraw/zinc/15/82/46/1013158246.db2.gz XQZCIZAIXIAHOB-SFHVURJKSA-N -1 3 361.829 2.801 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)c1[O-] ZINC000177266526 961315513 /nfs/dbraw/zinc/31/55/13/961315513.db2.gz LGZBDMIQMVDAPB-UHFFFAOYSA-N -1 3 374.412 2.902 20 10 FFCDHM CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780887315 967996660 /nfs/dbraw/zinc/99/66/60/967996660.db2.gz FYGCLOAJJZVGQV-UHFFFAOYSA-N -1 3 372.421 2.906 20 10 FFCDHM CC(C)(C)NC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271159409 970685865 /nfs/dbraw/zinc/68/58/65/970685865.db2.gz WBVSWJJVNZFDSJ-VBKZILBWSA-N -1 3 360.454 2.645 20 10 FFCDHM CCN1CCN(c2ccc(CNC(=O)c3ccc(C)cc3[O-])cc2F)CC1 ZINC000303332049 974095514 /nfs/dbraw/zinc/09/55/14/974095514.db2.gz UNJBCDHVVQGBGH-UHFFFAOYSA-N -1 3 371.456 2.912 20 10 FFCDHM COc1c([O-])c(CN2Cc3cccnc3N3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000877713960 1014694558 /nfs/dbraw/zinc/69/45/58/1014694558.db2.gz OTHUOLYVTYYVQP-OAHLLOKOSA-N -1 3 370.409 2.689 20 10 FFCDHM CCN(CC)c1ccc(CN(C)Cc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000877922892 1014767506 /nfs/dbraw/zinc/76/75/06/1014767506.db2.gz WPKRENVUTOTQCS-UHFFFAOYSA-N -1 3 356.470 2.733 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)CC1 ZINC000911553298 982270920 /nfs/dbraw/zinc/27/09/20/982270920.db2.gz TVDAEUXVMWESJW-UHFFFAOYSA-N -1 3 353.422 2.779 20 10 FFCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001595747624 982415155 /nfs/dbraw/zinc/41/51/55/982415155.db2.gz HAUXXOVIMNGRTC-OAHLLOKOSA-N -1 3 362.470 2.706 20 10 FFCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001595747624 982415158 /nfs/dbraw/zinc/41/51/58/982415158.db2.gz HAUXXOVIMNGRTC-OAHLLOKOSA-N -1 3 362.470 2.706 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000913960542 987068438 /nfs/dbraw/zinc/06/84/38/987068438.db2.gz GVAIRAOWUZUGDL-UHFFFAOYSA-N -1 3 371.412 2.635 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000914081116 987172808 /nfs/dbraw/zinc/17/28/08/987172808.db2.gz PVBBYZIHKUGWRY-QGZVFWFLSA-N -1 3 371.412 2.694 20 10 FFCDHM COc1nc(NCc2cc(Cl)c3cccnc3c2[O-])nc2nc[nH]c21 ZINC001168522983 990157984 /nfs/dbraw/zinc/15/79/84/990157984.db2.gz XNFHDGYQZOFQEA-UHFFFAOYSA-N -1 3 356.773 2.881 20 10 FFCDHM COc1cc(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407498 997351153 /nfs/dbraw/zinc/35/11/53/997351153.db2.gz MIFCBZLGYMAUQO-IBGZPJMESA-N -1 3 362.426 2.504 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3cc(Br)c(F)cc3[O-])CC[C@@H]21 ZINC001144308014 998305396 /nfs/dbraw/zinc/30/53/96/998305396.db2.gz GXPLWRJNWRGWBL-HZMBPMFUSA-N -1 3 371.250 2.737 20 10 FFCDHM O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001148214047 1001069130 /nfs/dbraw/zinc/06/91/30/1001069130.db2.gz NQQIDIAFWUVEFZ-OAHLLOKOSA-N -1 3 372.465 2.647 20 10 FFCDHM COC(=O)CCN(C(=O)c1cccc(O)c1[O-])c1cc(Cl)ccc1N ZINC001148219850 1001071540 /nfs/dbraw/zinc/07/15/40/1001071540.db2.gz BLRGITGXSMQMMT-UHFFFAOYSA-N -1 3 364.785 2.543 20 10 FFCDHM CN(C(=O)c1cccc(O)c1[O-])C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001148219233 1001071622 /nfs/dbraw/zinc/07/16/22/1001071622.db2.gz XQYKPYZBIOOSIU-UHFFFAOYSA-N -1 3 364.442 2.959 20 10 FFCDHM COc1c([O-])c(CNc2cccc(N3CCNC3=O)c2C)ccc1[N+](=O)[O-] ZINC000787310892 1001684297 /nfs/dbraw/zinc/68/42/97/1001684297.db2.gz AFRDFYOLFCVMCN-UHFFFAOYSA-N -1 3 372.381 2.759 20 10 FFCDHM NC(=O)c1cccc2c1CCN(Cc1c([O-])cccc1Br)C2 ZINC001183065980 1002151108 /nfs/dbraw/zinc/15/11/08/1002151108.db2.gz UHPJOHVOWMUMQG-UHFFFAOYSA-N -1 3 361.239 2.812 20 10 FFCDHM COc1c([O-])c(CNC2(C(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000775090642 1003589534 /nfs/dbraw/zinc/58/95/34/1003589534.db2.gz UEBLESCNQTUENK-UHFFFAOYSA-N -1 3 357.366 2.570 20 10 FFCDHM NC(=O)[C@H](NCc1c([O-])cccc1Br)c1ccc(F)cc1 ZINC001201902299 1005281094 /nfs/dbraw/zinc/28/10/94/1005281094.db2.gz WFDWJAFGPQQQPK-CQSZACIVSA-N -1 3 353.191 2.610 20 10 FFCDHM CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001178409771 1008983533 /nfs/dbraw/zinc/98/35/33/1008983533.db2.gz IKDYHIRMKJOMLX-GOSISDBHSA-N -1 3 373.428 2.672 20 10 FFCDHM CSc1cccc(N2C[C@H](C(=O)NCc3c([O-])cccc3F)CC2=O)c1 ZINC001178409630 1008983592 /nfs/dbraw/zinc/98/35/92/1008983592.db2.gz HGTAXUBTNOOCRP-GFCCVEGCSA-N -1 3 374.437 2.923 20 10 FFCDHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001275230280 1012111846 /nfs/dbraw/zinc/11/18/46/1012111846.db2.gz YDFPIAUIMVJVNY-KRWDZBQOSA-N -1 3 360.351 2.893 20 10 FFCDHM Cc1cc2nc(C)c(CCC(=O)NCc3c([O-])cccc3F)c(C)n2n1 ZINC000928710479 1019082813 /nfs/dbraw/zinc/08/28/13/1019082813.db2.gz SYYMNVNHBNEGIG-UHFFFAOYSA-N -1 3 356.401 2.748 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000930050719 1019841239 /nfs/dbraw/zinc/84/12/39/1019841239.db2.gz ZVZJYBBLRNRKQU-UHFFFAOYSA-N -1 3 363.364 2.829 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CNCC(F)(F)C3)cccc21 ZINC001218274611 1033079560 /nfs/dbraw/zinc/07/95/60/1033079560.db2.gz XQBJJJFACUFKDQ-SNVBAGLBSA-N -1 3 359.328 2.544 20 10 FFCDHM Cc1ccc(NC(=O)C(=O)NCc2c([O-])cccc2F)cc1N1CCCC1 ZINC001120974234 1023551921 /nfs/dbraw/zinc/55/19/21/1023551921.db2.gz QRAWTBYRGIZESP-UHFFFAOYSA-N -1 3 371.412 2.695 20 10 FFCDHM CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NCc3c([O-])cccc3F)cc2O1 ZINC001121064184 1023590601 /nfs/dbraw/zinc/59/06/01/1023590601.db2.gz ACYOREYYZILCPF-IBGZPJMESA-N -1 3 374.368 2.684 20 10 FFCDHM COC(=O)c1ccc(CN2CCN(Cc3c([O-])cccc3F)CC2)cc1 ZINC001137837627 1033179636 /nfs/dbraw/zinc/17/96/36/1033179636.db2.gz OFEOGGJDMPFXMB-UHFFFAOYSA-N -1 3 358.413 2.636 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(-n2c3[n-]c(=O)sc3c(=O)nc2N)cc1 ZINC001163042221 1028770510 /nfs/dbraw/zinc/77/05/10/1028770510.db2.gz PJKCTGXRIXPWOM-UHFFFAOYSA-N -1 3 353.407 2.780 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001138127408 1033808395 /nfs/dbraw/zinc/80/83/95/1033808395.db2.gz ZYWYJHDAOHUDDF-JCGIZDLHSA-N -1 3 358.413 2.985 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001138129490 1033816262 /nfs/dbraw/zinc/81/62/62/1033816262.db2.gz GUNPUSFMWYLNRC-UHFFFAOYSA-N -1 3 356.323 2.662 20 10 FFCDHM COCCCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277099365 1034529903 /nfs/dbraw/zinc/52/99/03/1034529903.db2.gz ZVEZKKNXRGOOMU-LJQANCHMSA-N -1 3 368.424 2.664 20 10 FFCDHM CCN(CC)c1ccnc([C@@H]2COCCN2Cc2cc(F)ccc2[O-])n1 ZINC001140055863 1035325324 /nfs/dbraw/zinc/32/53/24/1035325324.db2.gz YNAUWFOEZFUGEA-INIZCTEOSA-N -1 3 360.433 2.741 20 10 FFCDHM COC[C@H]1CN(Cc2c([O-])cccc2Br)Cc2ncn(C)c21 ZINC001140099706 1035342004 /nfs/dbraw/zinc/34/20/04/1035342004.db2.gz QQTZKASHJVNFRR-LLVKDONJSA-N -1 3 366.259 2.634 20 10 FFCDHM O=C(NCc1cn2c(n1)CN(Cc1c([O-])cccc1Cl)CC2)C1CCC1 ZINC001140339538 1035443614 /nfs/dbraw/zinc/44/36/14/1035443614.db2.gz WPVYXXQCROXXGA-UHFFFAOYSA-N -1 3 374.872 2.674 20 10 FFCDHM COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140462481 1035484463 /nfs/dbraw/zinc/48/44/63/1035484463.db2.gz HFLFLGIZODLPCU-INIZCTEOSA-N -1 3 362.861 2.793 20 10 FFCDHM O=C(Cc1ccsc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464666 1035485651 /nfs/dbraw/zinc/48/56/51/1035485651.db2.gz ZGQJUODUVIGYQX-UHFFFAOYSA-N -1 3 350.871 2.994 20 10 FFCDHM COC[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2cn(C)nc21 ZINC001232267676 1035537985 /nfs/dbraw/zinc/53/79/85/1035537985.db2.gz HVWKSXAICGYUIY-CYBMUJFWSA-N -1 3 351.834 2.534 20 10 FFCDHM O=C(c1ccccc1)N1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]2C1 ZINC001140581406 1035661317 /nfs/dbraw/zinc/66/13/17/1035661317.db2.gz RQSNKVKNJFAAKA-GASCZTMLSA-N -1 3 358.388 2.874 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1[C@H]2C[C@H]3C(=O)O[C@@H]1[C@H]3C2 ZINC001227938133 1035821888 /nfs/dbraw/zinc/82/18/88/1035821888.db2.gz QOJSIVLIBNZNKR-BVDDYWJCSA-N -1 3 366.369 2.658 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCc2nccn2C1 ZINC001227940316 1035822300 /nfs/dbraw/zinc/82/23/00/1035822300.db2.gz JQWBAHFWROFTSH-AWEZNQCLSA-N -1 3 350.374 2.919 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC(c2cccnc2)C1 ZINC001232980840 1036214542 /nfs/dbraw/zinc/21/45/42/1036214542.db2.gz XNPFSOFBJNQGCE-UHFFFAOYSA-N -1 3 366.202 2.991 20 10 FFCDHM COc1cc([O-])c(CN2CC3(C2)CC(F)(F)CO3)cc1Br ZINC001233141181 1036388079 /nfs/dbraw/zinc/38/80/79/1036388079.db2.gz FWPCWSMDTTWOEW-UHFFFAOYSA-N -1 3 364.186 2.773 20 10 FFCDHM COC(=O)[C@H](C(C)C)N(C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233142719 1036395961 /nfs/dbraw/zinc/39/59/61/1036395961.db2.gz VTDUJPQMBUETJJ-AWEZNQCLSA-N -1 3 360.248 2.793 20 10 FFCDHM CCOC(=O)C[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229185927 1036538058 /nfs/dbraw/zinc/53/80/58/1036538058.db2.gz DMRSPVGUMYRXTK-LLVKDONJSA-N -1 3 354.358 2.888 20 10 FFCDHM COC(C[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)OC ZINC001229191497 1036540735 /nfs/dbraw/zinc/54/07/35/1036540735.db2.gz BBKDWYDQXWDGDU-LLVKDONJSA-N -1 3 356.374 2.944 20 10 FFCDHM CC(C)N1CC[C@@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229196991 1036547508 /nfs/dbraw/zinc/54/75/08/1036547508.db2.gz LBRVJYRHSMETAF-GFCCVEGCSA-N -1 3 367.401 2.735 20 10 FFCDHM CCNC(=O)CO[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419212 1036613837 /nfs/dbraw/zinc/61/38/37/1036613837.db2.gz NTTCIQBXRAETHN-CYBMUJFWSA-N -1 3 360.376 2.528 20 10 FFCDHM CCN(C)C(=O)CO[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419582 1036614197 /nfs/dbraw/zinc/61/41/97/1036614197.db2.gz FEJJBROUDLPUAP-AWEZNQCLSA-N -1 3 374.403 2.870 20 10 FFCDHM COC[C@H](C)Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O ZINC001234127898 1036932131 /nfs/dbraw/zinc/93/21/31/1036932131.db2.gz WIUGJRIWYYCPTE-NSHDSACASA-N -1 3 356.374 2.898 20 10 FFCDHM CC1(C)OC[C@H](COc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)O1 ZINC001234748105 1037164711 /nfs/dbraw/zinc/16/47/11/1037164711.db2.gz FFQNXIJLDULNSA-JTQLQIEISA-N -1 3 374.345 2.593 20 10 FFCDHM C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1cncnc1 ZINC001234748944 1037166252 /nfs/dbraw/zinc/16/62/52/1037166252.db2.gz OEMMIANTQFVXRP-VIFPVBQESA-N -1 3 366.329 2.993 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@](O)(CF)CC1 ZINC001235056789 1037330613 /nfs/dbraw/zinc/33/06/13/1037330613.db2.gz FWIWABXEBPRVCO-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCCC[C@@](O)(CF)C1 ZINC001235057052 1037330945 /nfs/dbraw/zinc/33/09/45/1037330945.db2.gz LJASIOGYMSKJFW-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM O=C1CCC[C@@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)N1 ZINC001235062821 1037333731 /nfs/dbraw/zinc/33/37/31/1037333731.db2.gz YZTDNXIOQIMKGN-INIZCTEOSA-N -1 3 371.250 2.929 20 10 FFCDHM CN(C)C(=O)[C@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235302361 1037462368 /nfs/dbraw/zinc/46/23/68/1037462368.db2.gz PKNACSFTLDCIFU-JTQLQIEISA-N -1 3 359.239 2.594 20 10 FFCDHM CCOc1ccccc1N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231447458 1037586084 /nfs/dbraw/zinc/58/60/84/1037586084.db2.gz URVNGPHFTSQVRU-UHFFFAOYSA-N -1 3 356.422 2.811 20 10 FFCDHM O=C([O-])c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(O)c1 ZINC001231449307 1037587879 /nfs/dbraw/zinc/58/78/79/1037587879.db2.gz IUOXZOCDDJEGAY-UHFFFAOYSA-N -1 3 367.405 2.983 20 10 FFCDHM CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452097 1037591180 /nfs/dbraw/zinc/59/11/80/1037591180.db2.gz AIXMGBBZSCYJQU-UHFFFAOYSA-N -1 3 352.431 2.826 20 10 FFCDHM CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452097 1037591191 /nfs/dbraw/zinc/59/11/91/1037591191.db2.gz AIXMGBBZSCYJQU-UHFFFAOYSA-N -1 3 352.431 2.826 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451890 1037592721 /nfs/dbraw/zinc/59/27/21/1037592721.db2.gz YEBXUWSWUIJNQR-HOCLYGCPSA-N -1 3 373.478 2.643 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451890 1037592735 /nfs/dbraw/zinc/59/27/35/1037592735.db2.gz YEBXUWSWUIJNQR-HOCLYGCPSA-N -1 3 373.478 2.643 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001231562398 1037683850 /nfs/dbraw/zinc/68/38/50/1037683850.db2.gz BIMCQFDWYHWZCF-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001231562398 1037683857 /nfs/dbraw/zinc/68/38/57/1037683857.db2.gz BIMCQFDWYHWZCF-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC12COC2 ZINC001231913233 1038010259 /nfs/dbraw/zinc/01/02/59/1038010259.db2.gz IYMVGUDQQLSFMS-CQSZACIVSA-N -1 3 368.861 2.771 20 10 FFCDHM CCOC[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2c1cnn2C ZINC001236794506 1038274512 /nfs/dbraw/zinc/27/45/12/1038274512.db2.gz AILOPVGSJKDCJQ-GFCCVEGCSA-N -1 3 365.861 2.924 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001278565993 1041191729 /nfs/dbraw/zinc/19/17/29/1041191729.db2.gz XTQFUEVXTCWREC-UHFFFAOYSA-N -1 3 359.857 2.651 20 10 FFCDHM Cc1ncsc1CN1CC2(C1)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279488316 1043173332 /nfs/dbraw/zinc/17/33/32/1043173332.db2.gz HRRGVTKGXYCFNB-UHFFFAOYSA-N -1 3 351.422 2.753 20 10 FFCDHM Cc1ncsc1CN1CCC12CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001279573787 1043280432 /nfs/dbraw/zinc/28/04/32/1043280432.db2.gz ZRIOWENWXSEEGE-UHFFFAOYSA-N -1 3 365.886 2.976 20 10 FFCDHM Cc1noc(C[C@H]2C[C@H]3CN(Cc4cc(F)c(Cl)cc4[O-])C[C@H]3O2)n1 ZINC001237936529 1043444591 /nfs/dbraw/zinc/44/45/91/1043444591.db2.gz JBPPSWRBCQAEFR-HWWQOWPSSA-N -1 3 367.808 2.708 20 10 FFCDHM CCN(C)C(=O)CO[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237944432 1043448908 /nfs/dbraw/zinc/44/89/08/1043448908.db2.gz UBDPNBWLQKWUKB-ZDUSSCGKSA-N -1 3 358.841 2.644 20 10 FFCDHM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001310414162 1043683715 /nfs/dbraw/zinc/68/37/15/1043683715.db2.gz MTMSLDJJCQTTHZ-UHFFFAOYSA-N -1 3 370.377 2.537 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCN3CCC[C@H]3C2)c1[O-] ZINC001318459272 1045305411 /nfs/dbraw/zinc/30/54/11/1045305411.db2.gz NPIKHWDUGGFCRD-KRWDZBQOSA-N -1 3 366.461 2.999 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCCN3CCC[C@H]3C2)c1[O-] ZINC001318459272 1045305416 /nfs/dbraw/zinc/30/54/16/1045305416.db2.gz NPIKHWDUGGFCRD-KRWDZBQOSA-N -1 3 366.461 2.999 20 10 FFCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([O-])cc(Br)c1 ZINC001296247718 1050041138 /nfs/dbraw/zinc/04/11/38/1050041138.db2.gz WQICJZDWNBIKCR-SECBINFHSA-N -1 3 366.211 2.927 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCc2c([O-])cccc2F)C1 ZINC001303875406 1051464212 /nfs/dbraw/zinc/46/42/12/1051464212.db2.gz IAVRYZMMKWOTTC-XHDPSFHLSA-N -1 3 370.396 2.743 20 10 FFCDHM COC(=O)c1cc2cccnc2c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001304059359 1051518884 /nfs/dbraw/zinc/51/88/84/1051518884.db2.gz BPPDYFQCHLKHLV-UHFFFAOYSA-N -1 3 352.346 2.993 20 10 FFCDHM CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC001308535991 1052465768 /nfs/dbraw/zinc/46/57/68/1052465768.db2.gz ZGLRMHUKSMIXAH-TZMCWYRMSA-N -1 3 374.840 2.909 20 10 FFCDHM O=C([N-]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1)C(F)(F)F ZINC001308793473 1052499710 /nfs/dbraw/zinc/49/97/10/1052499710.db2.gz ALAOFLRESHMBAC-SNVBAGLBSA-N -1 3 350.768 2.936 20 10 FFCDHM O=C([N-]C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1)C(F)(F)F ZINC001308793473 1052499713 /nfs/dbraw/zinc/49/97/13/1052499713.db2.gz ALAOFLRESHMBAC-SNVBAGLBSA-N -1 3 350.768 2.936 20 10 FFCDHM CCOc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC001344114556 1052604802 /nfs/dbraw/zinc/60/48/02/1052604802.db2.gz ZOHBRXRPNBZFFP-UHFFFAOYSA-N -1 3 358.413 2.821 20 10 FFCDHM Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001337063933 1054451313 /nfs/dbraw/zinc/45/13/13/1054451313.db2.gz BGTJRQVJZWEORC-UHFFFAOYSA-N -1 3 371.412 2.695 20 10 FFCDHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)c1cccc(O)c1[O-] ZINC001454561524 1059564507 /nfs/dbraw/zinc/56/45/07/1059564507.db2.gz DNTLKYXLXCEVPV-LLVKDONJSA-N -1 3 350.777 2.899 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001521589016 1060995310 /nfs/dbraw/zinc/99/53/10/1060995310.db2.gz WTYZGYAQIAZXJK-AOOOYVTPSA-N -1 3 363.393 2.982 20 10 FFCDHM Cc1cc(CCNc2cc(-c3nnn[n-]3)cnn2)c(C)n1-c1ccccc1 ZINC001580923369 1078892391 /nfs/dbraw/zinc/89/23/91/1078892391.db2.gz PMWOMRFDHUQHJJ-UHFFFAOYSA-N -1 3 360.425 2.719 20 10 FFCDHM Cc1cc(CCNc2cc(-c3nn[n-]n3)cnn2)c(C)n1-c1ccccc1 ZINC001580923369 1078892399 /nfs/dbraw/zinc/89/23/99/1078892399.db2.gz PMWOMRFDHUQHJJ-UHFFFAOYSA-N -1 3 360.425 2.719 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1c([O-])cccc1F ZINC001558457169 1076009717 /nfs/dbraw/zinc/00/97/17/1076009717.db2.gz JBSDNSCQGGSJEK-GOSISDBHSA-N -1 3 352.406 2.937 20 10 FFCDHM C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960052 1080904279 /nfs/dbraw/zinc/90/42/79/1080904279.db2.gz ZNDOCSMRDBGWOD-ZMZPIMSZSA-N -1 3 373.844 2.784 20 10 FFCDHM C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962600 1080906278 /nfs/dbraw/zinc/90/62/78/1080906278.db2.gz HRMNHKHMAMOYHL-HUUCEWRRSA-N -1 3 364.453 2.749 20 10 FFCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1c1ccccc1 ZINC000091984397 508029600 /nfs/dbraw/zinc/02/96/00/508029600.db2.gz FQLHLUFLFDFRFT-SJCJKPOMSA-N -1 3 360.435 2.597 20 10 FFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000093913430 508160798 /nfs/dbraw/zinc/16/07/98/508160798.db2.gz UOIRLVFPVQKECG-INIZCTEOSA-N -1 3 360.435 2.523 20 10 FFCDHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c(C)n1-c1ccccn1 ZINC000119564176 508819867 /nfs/dbraw/zinc/81/98/67/508819867.db2.gz NFZRZUBUTVOROP-UHFFFAOYSA-N -1 3 361.409 2.865 20 10 FFCDHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c(C)n1-c1ccccn1 ZINC000119564176 508819870 /nfs/dbraw/zinc/81/98/70/508819870.db2.gz NFZRZUBUTVOROP-UHFFFAOYSA-N -1 3 361.409 2.865 20 10 FFCDHM CN(C)C(=O)c1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)[nH]1 ZINC000160176297 508949836 /nfs/dbraw/zinc/94/98/36/508949836.db2.gz YDPVLQHAMUUMIJ-QGZVFWFLSA-N -1 3 357.454 2.603 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1O ZINC000179393732 509419581 /nfs/dbraw/zinc/41/95/81/509419581.db2.gz GNOLFVBUDICJID-ZDUSSCGKSA-N -1 3 352.394 2.820 20 10 FFCDHM C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186054965 509500534 /nfs/dbraw/zinc/50/05/34/509500534.db2.gz AJXZYXCQOVMNTH-ZANVPECISA-N -1 3 369.252 2.889 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC(NC(=O)C3CC3)CC2)c1[O-] ZINC000179662189 509561311 /nfs/dbraw/zinc/56/13/11/509561311.db2.gz XPRPBAVIRNVJBH-UHFFFAOYSA-N -1 3 367.287 2.954 20 10 FFCDHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000176530236 509566280 /nfs/dbraw/zinc/56/62/80/509566280.db2.gz ZXVUUTFPSZBBML-CJNGLKHVSA-N -1 3 374.462 2.782 20 10 FFCDHM COc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cc1OC ZINC000179908182 509669509 /nfs/dbraw/zinc/66/95/09/509669509.db2.gz XJWKZFRWRVZSBJ-UHFFFAOYSA-N -1 3 374.412 2.507 20 10 FFCDHM [O-]c1ccccc1CN(Cc1nnc2n1CCCCC2)C[C@@H]1CCCO1 ZINC000264760831 509688654 /nfs/dbraw/zinc/68/86/54/509688654.db2.gz YWRJNXRBPSWDNJ-KRWDZBQOSA-N -1 3 356.470 2.891 20 10 FFCDHM [O-]c1ccc(F)cc1CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000180142221 509774907 /nfs/dbraw/zinc/77/49/07/509774907.db2.gz UXCNGJCNNSQFMT-UHFFFAOYSA-N -1 3 355.413 2.771 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC1CCOCC1 ZINC000174153404 509973235 /nfs/dbraw/zinc/97/32/35/509973235.db2.gz KIEMQEAZKHVYNY-UHFFFAOYSA-N -1 3 357.248 2.865 20 10 FFCDHM C[C@@H](NCc1nnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000183852022 510006565 /nfs/dbraw/zinc/00/65/65/510006565.db2.gz LFUXTTAJTXHLRN-SNVBAGLBSA-N -1 3 351.248 2.933 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCCC(=O)N1 ZINC000194324733 510313611 /nfs/dbraw/zinc/31/36/11/510313611.db2.gz RAQQAUCEMUNVEL-CYBMUJFWSA-N -1 3 369.259 2.562 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1(C)COC1 ZINC000174886285 510367658 /nfs/dbraw/zinc/36/76/58/510367658.db2.gz BOMQLERWCIDORI-UHFFFAOYSA-N -1 3 357.248 2.723 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000263830636 510851339 /nfs/dbraw/zinc/85/13/39/510851339.db2.gz ATMLSXRGCPOZGW-UHFFFAOYSA-N -1 3 368.480 2.948 20 10 FFCDHM Cc1c([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cnn1C ZINC000277257407 510958209 /nfs/dbraw/zinc/95/82/09/510958209.db2.gz ILICNORUBBLQST-LLVKDONJSA-N -1 3 362.817 2.613 20 10 FFCDHM COCCn1cc(CN[C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000282435404 510976798 /nfs/dbraw/zinc/97/67/98/510976798.db2.gz DLXKNDCUMMKVHA-LLVKDONJSA-N -1 3 354.248 2.848 20 10 FFCDHM COc1ccc2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])CCO2 ZINC000278507303 510995037 /nfs/dbraw/zinc/99/50/37/510995037.db2.gz PCOQFOALHAKYFS-AWEZNQCLSA-N -1 3 360.366 2.931 20 10 FFCDHM CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000278777560 511006329 /nfs/dbraw/zinc/00/63/29/511006329.db2.gz VIISOVHKECKEBV-CYBMUJFWSA-N -1 3 362.289 2.554 20 10 FFCDHM CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000286000324 511017969 /nfs/dbraw/zinc/01/79/69/511017969.db2.gz IQGDPKGQNPHCJM-INIZCTEOSA-N -1 3 352.431 2.680 20 10 FFCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000289192271 511095558 /nfs/dbraw/zinc/09/55/58/511095558.db2.gz WSVVNRIIQBRZDD-LBPRGKRZSA-N -1 3 356.426 2.947 20 10 FFCDHM Cc1ncc2n1CC[C@@H](C(=O)NCc1cccc(Br)c1[O-])C2 ZINC000290477927 511143358 /nfs/dbraw/zinc/14/33/58/511143358.db2.gz QSNLTJHUMINLSD-LLVKDONJSA-N -1 3 364.243 2.538 20 10 FFCDHM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000362376894 511182169 /nfs/dbraw/zinc/18/21/69/511182169.db2.gz SQOIGVRXXCYLJP-SFHVURJKSA-N -1 3 370.840 2.675 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1[O-] ZINC000365504112 511491547 /nfs/dbraw/zinc/49/15/47/511491547.db2.gz ASBQLEDEHLRQJP-UHFFFAOYSA-N -1 3 362.361 2.676 20 10 FFCDHM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272862219 511511381 /nfs/dbraw/zinc/51/13/81/511511381.db2.gz UXYXJFKZXJVARU-OAHLLOKOSA-N -1 3 372.446 2.868 20 10 FFCDHM C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464394 511527848 /nfs/dbraw/zinc/52/78/48/511527848.db2.gz IOVBNAYGSIFJDL-CXAGYDPISA-N -1 3 355.394 2.752 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000273483272 511529216 /nfs/dbraw/zinc/52/92/16/511529216.db2.gz MOOQCTJYZYERCG-ZDUSSCGKSA-N -1 3 372.421 2.819 20 10 FFCDHM COc1c([O-])c(CN[C@@H](c2cccnc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000293529285 511998589 /nfs/dbraw/zinc/99/85/89/511998589.db2.gz BQQGELFIZPIXDQ-KRWDZBQOSA-N -1 3 361.398 2.553 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000274966713 512001302 /nfs/dbraw/zinc/00/13/02/512001302.db2.gz JWNGGOYCWYRRFK-GFCCVEGCSA-N -1 3 350.415 2.617 20 10 FFCDHM O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cccc(O)c1[O-] ZINC000274997699 512011010 /nfs/dbraw/zinc/01/10/10/512011010.db2.gz NOBAGBUFHDDVSM-UHFFFAOYSA-N -1 3 355.394 2.656 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@H]21 ZINC000293680595 512049099 /nfs/dbraw/zinc/04/90/99/512049099.db2.gz LJJAVFRCYUYNOV-GXTWGEPZSA-N -1 3 362.426 2.569 20 10 FFCDHM CCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(OC)c(OC)c1 ZINC000825434819 607516937 /nfs/dbraw/zinc/51/69/37/607516937.db2.gz GHAKOXLGPZTTCD-UHFFFAOYSA-N -1 3 369.425 2.919 20 10 FFCDHM CCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(OC)c(OC)c1 ZINC000825434819 607516939 /nfs/dbraw/zinc/51/69/39/607516939.db2.gz GHAKOXLGPZTTCD-UHFFFAOYSA-N -1 3 369.425 2.919 20 10 FFCDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812369 605599700 /nfs/dbraw/zinc/59/97/00/605599700.db2.gz IYOGZRQXOBKFFP-HOCLYGCPSA-N -1 3 365.449 2.530 20 10 FFCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823254623 606556519 /nfs/dbraw/zinc/55/65/19/606556519.db2.gz ZSQLWNCKWRGIID-UHFFFAOYSA-N -1 3 368.466 2.849 20 10 FFCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823254623 606556520 /nfs/dbraw/zinc/55/65/20/606556520.db2.gz ZSQLWNCKWRGIID-UHFFFAOYSA-N -1 3 368.466 2.849 20 10 FFCDHM O=C(C=Cc1ccc(Cl)nc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399614 607996403 /nfs/dbraw/zinc/99/64/03/607996403.db2.gz ALYNJIULKMAGFD-KXFIGUGUSA-N -1 3 352.785 2.518 20 10 FFCDHM O=C(C=Cc1ccc(Cl)nc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399614 607996404 /nfs/dbraw/zinc/99/64/04/607996404.db2.gz ALYNJIULKMAGFD-KXFIGUGUSA-N -1 3 352.785 2.518 20 10 FFCDHM CN(C)c1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1F ZINC000825879743 608280020 /nfs/dbraw/zinc/28/00/20/608280020.db2.gz QMOURSKAJQCALS-UHFFFAOYSA-N -1 3 367.432 2.958 20 10 FFCDHM CN(C)c1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1F ZINC000825879743 608280022 /nfs/dbraw/zinc/28/00/22/608280022.db2.gz QMOURSKAJQCALS-UHFFFAOYSA-N -1 3 367.432 2.958 20 10 FFCDHM CCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367324 608345079 /nfs/dbraw/zinc/34/50/79/608345079.db2.gz NIHRSKWPTXFZFQ-VMPITWQZSA-N -1 3 354.801 2.981 20 10 FFCDHM CCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367324 608345081 /nfs/dbraw/zinc/34/50/81/608345081.db2.gz NIHRSKWPTXFZFQ-VMPITWQZSA-N -1 3 354.801 2.981 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000826209241 608374818 /nfs/dbraw/zinc/37/48/18/608374818.db2.gz SNDJQTKDKRCTEB-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2OC)c(OC)c1 ZINC000826209241 608374820 /nfs/dbraw/zinc/37/48/20/608374820.db2.gz SNDJQTKDKRCTEB-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826499059 608508434 /nfs/dbraw/zinc/50/84/34/608508434.db2.gz UIWGFNANKXQMBD-INIZCTEOSA-N -1 3 366.381 2.648 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826499059 608508435 /nfs/dbraw/zinc/50/84/35/608508435.db2.gz UIWGFNANKXQMBD-INIZCTEOSA-N -1 3 366.381 2.648 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826499060 608508564 /nfs/dbraw/zinc/50/85/64/608508564.db2.gz UIWGFNANKXQMBD-MRXNPFEDSA-N -1 3 366.381 2.648 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826499060 608508565 /nfs/dbraw/zinc/50/85/65/608508565.db2.gz UIWGFNANKXQMBD-MRXNPFEDSA-N -1 3 366.381 2.648 20 10 FFCDHM Cc1cccc([C@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000157210223 728868194 /nfs/dbraw/zinc/86/81/94/728868194.db2.gz AVHUJUMEHCMSLG-CYBMUJFWSA-N -1 3 362.451 2.606 20 10 FFCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267019 735467917 /nfs/dbraw/zinc/46/79/17/735467917.db2.gz IJJAZCHZIVRYKC-LBPRGKRZSA-N -1 3 350.415 2.569 20 10 FFCDHM O=C(CN1CCN(Cc2cc(Cl)ccc2[O-])CC1)Nc1ccccc1 ZINC000124708553 728673393 /nfs/dbraw/zinc/67/33/93/728673393.db2.gz GBBWNIVZFPPENO-UHFFFAOYSA-N -1 3 359.857 2.802 20 10 FFCDHM O=C1[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCCCC1 ZINC000131555384 728722529 /nfs/dbraw/zinc/72/25/29/728722529.db2.gz VVHDMHYAANDOOE-AWEZNQCLSA-N -1 3 367.833 2.977 20 10 FFCDHM COc1ccccc1[C@H](CO)NCc1c([O-])cccc1Br ZINC000858139626 730417516 /nfs/dbraw/zinc/41/75/16/730417516.db2.gz XHJABMLJZQJYGQ-AWEZNQCLSA-N -1 3 352.228 2.987 20 10 FFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000862252754 730682403 /nfs/dbraw/zinc/68/24/03/730682403.db2.gz GRGMOOAUUVZMPT-DJSGYFEHSA-N -1 3 356.260 2.923 20 10 FFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@]2(CCCOC2)O1 ZINC000862352592 730690836 /nfs/dbraw/zinc/69/08/36/730690836.db2.gz FIYMMCRYFJEINZ-MLGOLLRUSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Br)ccc1[O-] ZINC000862516422 730706103 /nfs/dbraw/zinc/70/61/03/730706103.db2.gz QYTMTUFHTKRIRT-FZMZJTMJSA-N -1 3 372.259 2.603 20 10 FFCDHM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000781920047 738673040 /nfs/dbraw/zinc/67/30/40/738673040.db2.gz ICFGMQNIAKKWAL-CQSZACIVSA-N -1 3 372.918 2.872 20 10 FFCDHM C[S@@](=O)(=NS(=O)(=O)[N-]c1ccc(O)cc1F)C1CCCCC1 ZINC000882712782 733276979 /nfs/dbraw/zinc/27/69/79/733276979.db2.gz LXOVQKAAKQTKOO-NRFANRHFSA-N -1 3 350.437 2.619 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000783849180 738841540 /nfs/dbraw/zinc/84/15/40/738841540.db2.gz QJMUXTHMIFXWIE-NEPJUHHUSA-N -1 3 350.415 2.664 20 10 FFCDHM CN(C)C(=O)CC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894433677 734857900 /nfs/dbraw/zinc/85/79/00/734857900.db2.gz YDRPYKPSRXHOMG-UHFFFAOYSA-N -1 3 373.266 2.984 20 10 FFCDHM CC[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000739962694 735063859 /nfs/dbraw/zinc/06/38/59/735063859.db2.gz OFRJBAZJNGFDPC-CZUORRHYSA-N -1 3 374.934 2.976 20 10 FFCDHM CC(C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751360656 735866051 /nfs/dbraw/zinc/86/60/51/735866051.db2.gz OCIUGNMCQWFZHG-HNNXBMFYSA-N -1 3 360.907 2.585 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)CC1CCCC1 ZINC000789348140 739340782 /nfs/dbraw/zinc/34/07/82/739340782.db2.gz LJONLXLBYSNWMY-MRXNPFEDSA-N -1 3 355.862 2.962 20 10 FFCDHM C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000756756221 736359104 /nfs/dbraw/zinc/35/91/04/736359104.db2.gz GJFAQRWTJZOPSD-SNVBAGLBSA-N -1 3 353.390 2.851 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N(CCO)Cc1cc(Br)cs1 ZINC000757648365 736415862 /nfs/dbraw/zinc/41/58/62/736415862.db2.gz DIQLPTBJLVIOHT-UHFFFAOYSA-N -1 3 372.240 2.557 20 10 FFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@@H]2CCCC[C@H]21 ZINC000769411792 737525718 /nfs/dbraw/zinc/52/57/18/737525718.db2.gz KYKVNUVDSKRPBB-UKRRQHHQSA-N -1 3 374.300 2.696 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nccs1 ZINC000770628963 737647026 /nfs/dbraw/zinc/64/70/26/737647026.db2.gz IAGRZOWYRXYIQA-CYBMUJFWSA-N -1 3 351.859 2.897 20 10 FFCDHM C[C@@]1(CNC(=O)NCc2c([O-])cccc2F)OCCc2sccc21 ZINC000922530316 738161710 /nfs/dbraw/zinc/16/17/10/738161710.db2.gz FOLGRBYBFGPFSY-KRWDZBQOSA-N -1 3 350.415 2.880 20 10 FFCDHM [O-]c1cccc(Br)c1CNCc1nc2c(s1)COCC2 ZINC000922960611 738225080 /nfs/dbraw/zinc/22/50/80/738225080.db2.gz RIQTXYNAJHFWMI-UHFFFAOYSA-N -1 3 355.257 2.974 20 10 FFCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000928708225 738898317 /nfs/dbraw/zinc/89/83/17/738898317.db2.gz JDFYWBRYRGEERG-NSHDSACASA-N -1 3 352.406 2.651 20 10 FFCDHM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cccc(O)c1[O-] ZINC000790597249 739473192 /nfs/dbraw/zinc/47/31/92/739473192.db2.gz AETXASLRZQWZOQ-UHFFFAOYSA-N -1 3 358.419 2.539 20 10 FFCDHM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)C(F)(F)F ZINC000811514749 741532808 /nfs/dbraw/zinc/53/28/08/741532808.db2.gz POKDPWNLUYHVNF-JTQLQIEISA-N -1 3 350.768 2.936 20 10 FFCDHM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)C(F)(F)F ZINC000811514749 741532810 /nfs/dbraw/zinc/53/28/10/741532810.db2.gz POKDPWNLUYHVNF-JTQLQIEISA-N -1 3 350.768 2.936 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(Br)cc1[O-] ZINC000825650895 743306467 /nfs/dbraw/zinc/30/64/67/743306467.db2.gz AMRRVONPBRHLIS-ZBINZKHDSA-N -1 3 354.244 2.928 20 10 FFCDHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839889401 746954739 /nfs/dbraw/zinc/95/47/39/746954739.db2.gz FFJGYAIRLJCUBS-KBPBESRZSA-N -1 3 354.472 2.708 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](Nc3ncccn3)C2)c1 ZINC000843414731 747831413 /nfs/dbraw/zinc/83/14/13/747831413.db2.gz LSBOIABTMOJWOT-ZDUSSCGKSA-N -1 3 363.259 2.940 20 10 FFCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843433318 747836959 /nfs/dbraw/zinc/83/69/59/747836959.db2.gz XLAFYBSWGPNKKT-CYBMUJFWSA-N -1 3 354.731 2.685 20 10 FFCDHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2)cc1 ZINC000849415497 749141948 /nfs/dbraw/zinc/14/19/48/749141948.db2.gz ASVPFBHDEBFFGD-LLVKDONJSA-N -1 3 372.899 2.967 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1C ZINC000055668571 845336572 /nfs/dbraw/zinc/33/65/72/845336572.db2.gz LKHGMOWYLWPQNB-UHFFFAOYSA-N -1 3 368.480 2.866 20 10 FFCDHM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cccc1Cl ZINC001275837808 1013061556 /nfs/dbraw/zinc/06/15/56/1013061556.db2.gz NNAXVYQYEURYFD-ORAYPTAESA-N -1 3 364.873 2.980 20 10 FFCDHM CC(C)OC(=O)C1(C(=O)OC(C)C)CC(NCc2c([O-])cccc2F)C1 ZINC000896636959 971646678 /nfs/dbraw/zinc/64/66/78/971646678.db2.gz JRDWKMILXLUKGQ-UHFFFAOYSA-N -1 3 367.417 2.673 20 10 FFCDHM O=C(COc1ccccc1CNCc1c([O-])cccc1F)NCC1CC1 ZINC000896640294 971647474 /nfs/dbraw/zinc/64/74/74/971647474.db2.gz JFEIQZCDXXLOJT-UHFFFAOYSA-N -1 3 358.413 2.726 20 10 FFCDHM CC(C)(C)C(=O)CN1CC[C@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001276031224 1013297845 /nfs/dbraw/zinc/29/78/45/1013297845.db2.gz FZPCOSGKMVDVFU-HXUWFJFHSA-N -1 3 362.445 2.713 20 10 FFCDHM CC(C)(C)C(=O)CN1CC[C@@]2(CCCN2Cc2cccc(F)c2[O-])C1=O ZINC001276087251 1013436474 /nfs/dbraw/zinc/43/64/74/1013436474.db2.gz ZJDAOEZYYAWCMR-FQEVSTJZSA-N -1 3 362.445 2.713 20 10 FFCDHM CC[C@@H](C)N1CC2(CCC1=O)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001271434223 972995674 /nfs/dbraw/zinc/99/56/74/972995674.db2.gz UBFMZTYCYJLHNN-CQSZACIVSA-N -1 3 360.454 2.741 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000898704807 976629006 /nfs/dbraw/zinc/62/90/06/976629006.db2.gz KVGPHEPUZKYNGW-HAQNSBGRSA-N -1 3 367.421 2.634 20 10 FFCDHM O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cccc(O)c1[O-] ZINC000185830179 984037150 /nfs/dbraw/zinc/03/71/50/984037150.db2.gz KBSOAXCNTHEDNA-UHFFFAOYSA-N -1 3 354.337 2.699 20 10 FFCDHM COc1cc(CNC(=O)NCc2c([O-])cccc2F)cc(OC)c1OC ZINC000913929444 987038146 /nfs/dbraw/zinc/03/81/46/987038146.db2.gz UTVFIMFDRMCGMU-UHFFFAOYSA-N -1 3 364.373 2.557 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(N2CCNC2=O)cc1 ZINC000923030036 990803684 /nfs/dbraw/zinc/80/36/84/990803684.db2.gz KIRXHPXBDNCFKF-GFCCVEGCSA-N -1 3 372.400 2.621 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCCC[C@](O)(CF)C1 ZINC001144299150 998284946 /nfs/dbraw/zinc/28/49/46/998284946.db2.gz QKMVXWTVLAZUPT-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM Cc1noc([C@@H]2CCN(Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144306523 998301898 /nfs/dbraw/zinc/30/18/98/998301898.db2.gz FOHYRAIGVXYIJL-SECBINFHSA-N -1 3 356.195 2.975 20 10 FFCDHM Cc1cccc([C@@H]2CCCN2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1 ZINC000846237155 1000239847 /nfs/dbraw/zinc/23/98/47/1000239847.db2.gz BGGYDRGHYARYJU-INIZCTEOSA-N -1 3 352.394 2.779 20 10 FFCDHM Cn1nc(Br)c2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC001148219417 1001071211 /nfs/dbraw/zinc/07/12/11/1001071211.db2.gz ZEJBCEKWKBATIS-UHFFFAOYSA-N -1 3 362.183 2.999 20 10 FFCDHM O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)c1cccc(O)c1[O-] ZINC001148219857 1001072366 /nfs/dbraw/zinc/07/23/66/1001072366.db2.gz CATAYMXQAIISOE-UHFFFAOYSA-N -1 3 357.753 2.549 20 10 FFCDHM COc1ccc(-c2ccccn2)nc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581128 1001174576 /nfs/dbraw/zinc/17/45/76/1001174576.db2.gz LOWMGZDMCWFDPQ-UHFFFAOYSA-N -1 3 353.334 2.521 20 10 FFCDHM CC(C)(C)c1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(-c2cccnc2)n1 ZINC001148583266 1001175287 /nfs/dbraw/zinc/17/52/87/1001175287.db2.gz VXPXMMGFABJQIY-UHFFFAOYSA-N -1 3 368.393 2.934 20 10 FFCDHM O=C(NCC(F)F)[C@@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001276191563 1016502676 /nfs/dbraw/zinc/50/26/76/1016502676.db2.gz MACJIAWXBGDXNB-NSHDSACASA-N -1 3 360.351 2.654 20 10 FFCDHM O=C(NCc1ccco1)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790550493 1002409517 /nfs/dbraw/zinc/40/95/17/1002409517.db2.gz CEUITSDBVHJUFA-UHFFFAOYSA-N -1 3 366.373 2.551 20 10 FFCDHM COc1c([O-])c(CNc2ccccc2Cn2cncn2)ccc1[N+](=O)[O-] ZINC000774933662 1003076005 /nfs/dbraw/zinc/07/60/05/1003076005.db2.gz PKUFOQPMXLUYFE-UHFFFAOYSA-N -1 3 355.354 2.561 20 10 FFCDHM COCCn1ncc2ccc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])cc21 ZINC000775048693 1003412661 /nfs/dbraw/zinc/41/26/61/1003412661.db2.gz PECMYWBMWUNLRT-UHFFFAOYSA-N -1 3 372.381 2.917 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccc(C)c(F)c1 ZINC000805605227 1004056571 /nfs/dbraw/zinc/05/65/71/1004056571.db2.gz WWXZKPADXUPRQX-UHFFFAOYSA-N -1 3 356.357 2.699 20 10 FFCDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccc(C)c(F)c1 ZINC000805605227 1004056579 /nfs/dbraw/zinc/05/65/79/1004056579.db2.gz WWXZKPADXUPRQX-UHFFFAOYSA-N -1 3 356.357 2.699 20 10 FFCDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c1 ZINC001197107234 1004087074 /nfs/dbraw/zinc/08/70/74/1004087074.db2.gz PLHTTWCLBATTHM-BQYQJAHWSA-N -1 3 361.419 2.996 20 10 FFCDHM COC(=O)c1ccc(NC(=O)c2ccc([O-])c(O)c2Cl)c(C(C)=O)c1 ZINC001193229724 1004429922 /nfs/dbraw/zinc/42/99/22/1004429922.db2.gz KTDUHNZCXLMEJZ-UHFFFAOYSA-N -1 3 363.753 2.993 20 10 FFCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001180029639 1009536587 /nfs/dbraw/zinc/53/65/87/1009536587.db2.gz DIQNTBYCADGITD-SNVBAGLBSA-N -1 3 356.394 2.511 20 10 FFCDHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(C)n1-c1ccccc1C ZINC000120749449 1010864259 /nfs/dbraw/zinc/86/42/59/1010864259.db2.gz HEMIVGJFRNCNIS-UHFFFAOYSA-N -1 3 371.466 2.857 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCNCC3(F)F)cccc21 ZINC001218008012 1032949965 /nfs/dbraw/zinc/94/99/65/1032949965.db2.gz UIAOCRQDRVWJFM-CQSZACIVSA-N -1 3 359.328 2.544 20 10 FFCDHM [O-]c1ccc2ccncc2c1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750010472 1021222361 /nfs/dbraw/zinc/22/23/61/1021222361.db2.gz MDGUTUMNYOIHFL-KRWDZBQOSA-N -1 3 352.394 2.774 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c1 ZINC000756866820 1023761733 /nfs/dbraw/zinc/76/17/33/1023761733.db2.gz DTCRXXFQFKUTAY-LBPRGKRZSA-N -1 3 352.394 2.815 20 10 FFCDHM CN(Cc1c([O-])cccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831660 1033162043 /nfs/dbraw/zinc/16/20/43/1033162043.db2.gz JEWANIOCBVZAPS-CYBMUJFWSA-N -1 3 354.422 2.599 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N3CCOCC3)nc2C)c1 ZINC000757620319 1023838773 /nfs/dbraw/zinc/83/87/73/1023838773.db2.gz COGLSZSUZLWHSZ-ZDUSSCGKSA-N -1 3 371.437 2.892 20 10 FFCDHM CCc1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1[O-] ZINC000781270171 1029115421 /nfs/dbraw/zinc/11/54/21/1029115421.db2.gz HJHRUWDIXLOELW-UHFFFAOYSA-N -1 3 367.449 2.875 20 10 FFCDHM Nc1nc2cc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])ccc2[nH]1 ZINC001156978644 1029430989 /nfs/dbraw/zinc/43/09/89/1029430989.db2.gz APCGDQWDUOYZIF-UHFFFAOYSA-N -1 3 367.796 2.982 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001203657387 1030808026 /nfs/dbraw/zinc/80/80/26/1030808026.db2.gz DGVYWGKCSGFICM-AWEZNQCLSA-N -1 3 357.845 2.771 20 10 FFCDHM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001139684749 1031975207 /nfs/dbraw/zinc/97/52/07/1031975207.db2.gz POBYQMMLJKJIIP-YJYMSZOUSA-N -1 3 362.376 2.593 20 10 FFCDHM COCCOc1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138129650 1033816504 /nfs/dbraw/zinc/81/65/04/1033816504.db2.gz PJRNNDZEHNMBMU-UHFFFAOYSA-N -1 3 360.429 2.879 20 10 FFCDHM C[C@@H](O)CCCC(=O)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380148 1034659529 /nfs/dbraw/zinc/65/95/29/1034659529.db2.gz OCKOPDIOWBVVDN-LLVKDONJSA-N -1 3 354.358 2.624 20 10 FFCDHM CCCOC(=O)[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380386 1034659674 /nfs/dbraw/zinc/65/96/74/1034659674.db2.gz SISQPHRWGXETTF-LLVKDONJSA-N -1 3 354.358 2.888 20 10 FFCDHM Cn1ncc2c1CN(Cc1cc(F)ccc1[O-])C[C@H]2COc1cccnc1 ZINC001140063689 1035327814 /nfs/dbraw/zinc/32/78/14/1035327814.db2.gz WBGYOMXJGRDBOZ-HNNXBMFYSA-N -1 3 368.412 2.838 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3ncccc3F)CC2)cc1Cl ZINC001232271161 1035540181 /nfs/dbraw/zinc/54/01/81/1035540181.db2.gz OJPKSJCACXKANM-UHFFFAOYSA-N -1 3 351.809 2.911 20 10 FFCDHM CCCCN1CC2(CN(Cc3cc(Cl)c(C)cc3[O-])C2)OCC1=O ZINC001277211950 1035568424 /nfs/dbraw/zinc/56/84/24/1035568424.db2.gz CKIFKIZXYAMLIU-UHFFFAOYSA-N -1 3 352.862 2.567 20 10 FFCDHM CCOCCN1CC[C@@]2(CCCN2Cc2cccc(Cl)c2[O-])C1=O ZINC001277232446 1035679407 /nfs/dbraw/zinc/67/94/07/1035679407.db2.gz QIDGVERCKFFOAN-SFHVURJKSA-N -1 3 352.862 2.649 20 10 FFCDHM CC(=O)N1CCC[C@@H](N(C)Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029349 1036267327 /nfs/dbraw/zinc/26/73/27/1036267327.db2.gz CCWIWKBCIQDJGZ-GFCCVEGCSA-N -1 3 359.239 2.737 20 10 FFCDHM CN(C)C(=O)[C@@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031794 1036269896 /nfs/dbraw/zinc/26/98/96/1036269896.db2.gz MKSRRAGYTURCJO-SNVBAGLBSA-N -1 3 359.239 2.594 20 10 FFCDHM COc1cc([O-])c(CN2CCN(C(C)(C)C)C(=O)C2)cc1Br ZINC001233140708 1036389703 /nfs/dbraw/zinc/38/97/03/1036389703.db2.gz SARGEOWCZGUHQM-UHFFFAOYSA-N -1 3 371.275 2.606 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Br)c(OC)cc1[O-] ZINC001233142393 1036392227 /nfs/dbraw/zinc/39/22/27/1036392227.db2.gz OVCICKLFUZUVQO-VPJDZLOFSA-N -1 3 370.243 2.689 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001233333416 1036538288 /nfs/dbraw/zinc/53/82/88/1036538288.db2.gz VBANJVWASYJIGT-CYBMUJFWSA-N -1 3 361.392 2.999 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001233333676 1036540387 /nfs/dbraw/zinc/54/03/87/1036540387.db2.gz DPJZZXGVUYUCLD-KUHUBIRLSA-N -1 3 362.376 2.878 20 10 FFCDHM COC[C@H](C)OC[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192618 1036543867 /nfs/dbraw/zinc/54/38/67/1036543867.db2.gz QHZNDXRJBGZIII-STQMWFEESA-N -1 3 370.401 2.986 20 10 FFCDHM CCn1nnc2c1CCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@@H]2COC ZINC001233452565 1036633335 /nfs/dbraw/zinc/63/33/35/1036633335.db2.gz BIGHRRZHVBYZSG-CQSZACIVSA-N -1 3 370.375 2.768 20 10 FFCDHM Cc1cc(O[C@@H](C[N+](=O)[O-])C2CC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542262 1036729742 /nfs/dbraw/zinc/72/97/42/1036729742.db2.gz KTIBJGZBUBWYJW-INIZCTEOSA-N -1 3 367.357 2.910 20 10 FFCDHM COc1c(O[C@H]2CCN(C)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234126269 1036930947 /nfs/dbraw/zinc/93/09/47/1036930947.db2.gz CSJSDTOIROQBSC-LBPRGKRZSA-N -1 3 367.401 2.568 20 10 FFCDHM CCOC(=O)CN(CC(=O)OCC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996634 1037286761 /nfs/dbraw/zinc/28/67/61/1037286761.db2.gz KSCMGDKQYCKWFR-UHFFFAOYSA-N -1 3 371.433 2.987 20 10 FFCDHM COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235069990 1037338396 /nfs/dbraw/zinc/33/83/96/1037338396.db2.gz ZGTHSJAIZQEIHQ-GXSJLCMTSA-N -1 3 360.223 2.925 20 10 FFCDHM CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231446311 1037586424 /nfs/dbraw/zinc/58/64/24/1037586424.db2.gz GQNUEEURCUWQJI-UHFFFAOYSA-N -1 3 369.417 2.754 20 10 FFCDHM CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231446311 1037586440 /nfs/dbraw/zinc/58/64/40/1037586440.db2.gz GQNUEEURCUWQJI-UHFFFAOYSA-N -1 3 369.417 2.754 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449994 1037589039 /nfs/dbraw/zinc/58/90/39/1037589039.db2.gz OZJVXWSXWXJIME-HUUCEWRRSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449994 1037589046 /nfs/dbraw/zinc/58/90/46/1037589046.db2.gz OZJVXWSXWXJIME-HUUCEWRRSA-N -1 3 362.426 2.532 20 10 FFCDHM COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC001231453204 1037594589 /nfs/dbraw/zinc/59/45/89/1037594589.db2.gz IICFQKVHOFGPCI-WMZOPIPTSA-N -1 3 355.390 2.827 20 10 FFCDHM COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC001231453204 1037594595 /nfs/dbraw/zinc/59/45/95/1037594595.db2.gz IICFQKVHOFGPCI-WMZOPIPTSA-N -1 3 355.390 2.827 20 10 FFCDHM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231560246 1037685343 /nfs/dbraw/zinc/68/53/43/1037685343.db2.gz DHMWAZRDRSWCBZ-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566089 1037689982 /nfs/dbraw/zinc/68/99/82/1037689982.db2.gz PUQNCBDAYHCITC-MJGOQNOKSA-N -1 3 368.433 2.714 20 10 FFCDHM NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566089 1037689983 /nfs/dbraw/zinc/68/99/83/1037689983.db2.gz PUQNCBDAYHCITC-MJGOQNOKSA-N -1 3 368.433 2.714 20 10 FFCDHM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231912731 1038006091 /nfs/dbraw/zinc/00/60/91/1038006091.db2.gz UXQAIMHLMYSZKA-CQSZACIVSA-N -1 3 354.878 2.941 20 10 FFCDHM COc1ccc(CN2CCN(CCc3ccncc3)CC2)c([O-])c1Cl ZINC001236814061 1038288075 /nfs/dbraw/zinc/28/80/75/1038288075.db2.gz SYCKKMKVLPZZRZ-UHFFFAOYSA-N -1 3 361.873 2.810 20 10 FFCDHM CCOC(=O)C1CCN(Cc2c([O-])cc(OC)cc2Br)CC1 ZINC001237065309 1038431470 /nfs/dbraw/zinc/43/14/70/1038431470.db2.gz MRRFKBKBLZBHPT-UHFFFAOYSA-N -1 3 372.259 2.938 20 10 FFCDHM O=C(COC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)N1CCCC1 ZINC001237126076 1038450890 /nfs/dbraw/zinc/45/08/90/1038450890.db2.gz FPGAUJXCDKGVGI-UHFFFAOYSA-N -1 3 370.852 2.788 20 10 FFCDHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCN(C)CC2)c1 ZINC001258926595 1039591720 /nfs/dbraw/zinc/59/17/20/1039591720.db2.gz TZMANTVSHFZZLF-UHFFFAOYSA-N -1 3 363.458 2.687 20 10 FFCDHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001278687153 1039780673 /nfs/dbraw/zinc/78/06/73/1039780673.db2.gz KLDMWJYALPNCLU-UHFFFAOYSA-N -1 3 353.413 2.686 20 10 FFCDHM COC1(CC(=O)N2CC3(CN(Cc4c([O-])cccc4Cl)C3)C2)CCC1 ZINC001278491208 1039884572 /nfs/dbraw/zinc/88/45/72/1039884572.db2.gz RIXGKKNCFXZNDE-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM Nc1cc(F)c(Br)cc1C(=O)NCc1c([O-])cccc1F ZINC001303876117 1040559724 /nfs/dbraw/zinc/55/97/24/1040559724.db2.gz VIVPIKFQHQOROC-UHFFFAOYSA-N -1 3 357.154 2.945 20 10 FFCDHM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3cc(Cl)c([O-])cc3O)C2)C1 ZINC001279570510 1043273628 /nfs/dbraw/zinc/27/36/28/1043273628.db2.gz MUFIEWBXNDHCDL-OAHLLOKOSA-N -1 3 374.868 2.918 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)C3CCC3)CC2)cc1Br ZINC001237680166 1043307085 /nfs/dbraw/zinc/30/70/85/1043307085.db2.gz AFZBHBIJADPLAB-UHFFFAOYSA-N -1 3 367.287 2.907 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001237777956 1043350076 /nfs/dbraw/zinc/35/00/76/1043350076.db2.gz QPUMDJPDHIEQJT-FZMZJTMJSA-N -1 3 373.234 2.998 20 10 FFCDHM Cc1cc(S(=O)(=O)NCc2c([O-])cccc2F)c(C)cc1[N+](=O)[O-] ZINC001309878730 1043568957 /nfs/dbraw/zinc/56/89/57/1043568957.db2.gz HOUQXEXBQOHAHU-UHFFFAOYSA-N -1 3 354.359 2.535 20 10 FFCDHM O=C(NCC(F)F)[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279972787 1044014556 /nfs/dbraw/zinc/01/45/56/1044014556.db2.gz TYFFZQRITGAAAB-RFAUZJTJSA-N -1 3 365.207 2.902 20 10 FFCDHM CS(=O)(=O)c1cc(C(=O)[N-]c2c3nonc3ccc2Cl)ccc1F ZINC001323481886 1045606576 /nfs/dbraw/zinc/60/65/76/1045606576.db2.gz DMZYLBLNBPEEBS-UHFFFAOYSA-N -1 3 369.761 2.671 20 10 FFCDHM CCN(CC)C(=O)COc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001540817245 1071005560 /nfs/dbraw/zinc/00/55/60/1071005560.db2.gz LYLRGSLXKBWIKV-UHFFFAOYSA-N -1 3 358.394 2.597 20 10 FFCDHM CC(C)c1n[nH]c(CC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1 ZINC001306868942 1052206494 /nfs/dbraw/zinc/20/64/94/1052206494.db2.gz ODNBDCSMMYMLQL-UHFFFAOYSA-N -1 3 362.405 2.573 20 10 FFCDHM CC(C)c1nc(CC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n[nH]1 ZINC001306868942 1052206501 /nfs/dbraw/zinc/20/65/01/1052206501.db2.gz ODNBDCSMMYMLQL-UHFFFAOYSA-N -1 3 362.405 2.573 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(Br)c(CO)c2)c([O-])c1O ZINC001452623530 1059264732 /nfs/dbraw/zinc/26/47/32/1059264732.db2.gz ATHBIANIBITPTJ-UHFFFAOYSA-N -1 3 352.184 2.913 20 10 FFCDHM CC(C)[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CCO1 ZINC001355801479 1060604502 /nfs/dbraw/zinc/60/45/02/1060604502.db2.gz QGXKOPTYEYIYBX-LBPRGKRZSA-N -1 3 359.455 2.659 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(Br)cc1 ZINC001475706409 1061221504 /nfs/dbraw/zinc/22/15/04/1061221504.db2.gz AXXDKRPAAOFQFU-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM Cn1cc(CNC(=O)NCc2c([O-])cccc2F)c(-c2ccccc2)n1 ZINC001469756053 1064205771 /nfs/dbraw/zinc/20/57/71/1064205771.db2.gz GUGVLBZOWOIRAF-UHFFFAOYSA-N -1 3 354.385 2.931 20 10 FFCDHM O=C1CN(Cc2ccc(Br)cc2[O-])CN1Cc1ccccc1 ZINC001474355524 1065501538 /nfs/dbraw/zinc/50/15/38/1065501538.db2.gz LQVQVHHKGHDPJB-UHFFFAOYSA-N -1 3 361.239 2.957 20 10 FFCDHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001579253233 1078602217 /nfs/dbraw/zinc/60/22/17/1078602217.db2.gz JUABWQKYDZKEGB-UHFFFAOYSA-N -1 3 368.466 2.801 20 10 FFCDHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001579253233 1078602219 /nfs/dbraw/zinc/60/22/19/1078602219.db2.gz JUABWQKYDZKEGB-UHFFFAOYSA-N -1 3 368.466 2.801 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c1 ZINC001580047330 1078738356 /nfs/dbraw/zinc/73/83/56/1078738356.db2.gz ZNNODAJYVGJJLM-LBPRGKRZSA-N -1 3 367.409 2.689 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1 ZINC001580047330 1078738365 /nfs/dbraw/zinc/73/83/65/1078738365.db2.gz ZNNODAJYVGJJLM-LBPRGKRZSA-N -1 3 367.409 2.689 20 10 FFCDHM CCc1ccccc1N1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001558454640 1076009179 /nfs/dbraw/zinc/00/91/79/1076009179.db2.gz DRIBWEMJYWXYLF-CQSZACIVSA-N -1 3 356.397 2.763 20 10 FFCDHM COC(=O)CN(CCC(F)(F)F)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001559592534 1076175379 /nfs/dbraw/zinc/17/53/79/1076175379.db2.gz PVVTWAJLFFINFB-UHFFFAOYSA-N -1 3 351.296 2.661 20 10 FFCDHM C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1 ZINC001589999582 1080928779 /nfs/dbraw/zinc/92/87/79/1080928779.db2.gz XRWRRENEMQIAJM-DZKIICNBSA-N -1 3 367.453 2.778 20 10 FFCDHM CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185971215 509457524 /nfs/dbraw/zinc/45/75/24/509457524.db2.gz UTEXXHDQJPYGBA-SECBINFHSA-N -1 3 355.287 2.677 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CCCO1 ZINC000080660107 508092349 /nfs/dbraw/zinc/09/23/49/508092349.db2.gz XCNBSVDJULXCGE-ZDUSSCGKSA-N -1 3 357.248 2.865 20 10 FFCDHM CCCNC(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000125387622 508975735 /nfs/dbraw/zinc/97/57/35/508975735.db2.gz DNRXPRNBPHKJMH-UHFFFAOYSA-N -1 3 355.276 2.893 20 10 FFCDHM CCS[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267360100 509465878 /nfs/dbraw/zinc/46/58/78/509465878.db2.gz PKKCBCXUKOQJRY-AAEUAGOBSA-N -1 3 372.512 2.558 20 10 FFCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000193062894 509760095 /nfs/dbraw/zinc/76/00/95/509760095.db2.gz UFONSEWOPWKGNY-AWEZNQCLSA-N -1 3 360.797 2.629 20 10 FFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)c(C)c1O ZINC000187058461 510031557 /nfs/dbraw/zinc/03/15/57/510031557.db2.gz DGFNYJBYWQCBFI-UHFFFAOYSA-N -1 3 360.435 2.637 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187694064 510390786 /nfs/dbraw/zinc/39/07/86/510390786.db2.gz NABXYNQFAGXHLV-GHMZBOCLSA-N -1 3 370.421 2.990 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCc1ccncc1 ZINC000181586942 510486785 /nfs/dbraw/zinc/48/67/85/510486785.db2.gz FYVVKGBXYQLVGP-UHFFFAOYSA-N -1 3 362.813 2.575 20 10 FFCDHM CC(C)[C@H](NCc1c([O-])ccc(Cl)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000191467953 510674199 /nfs/dbraw/zinc/67/41/99/510674199.db2.gz HOLOPIVMPLFFPH-LBPRGKRZSA-N -1 3 366.784 2.840 20 10 FFCDHM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182327480 510850973 /nfs/dbraw/zinc/85/09/73/510850973.db2.gz VYMCGQCOOIQYHV-UHFFFAOYSA-N -1 3 356.422 2.770 20 10 FFCDHM C[C@@H](C1CCOCC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277147006 510955457 /nfs/dbraw/zinc/95/54/57/510955457.db2.gz AKJWFIXNNNWDIP-NSHDSACASA-N -1 3 352.818 2.625 20 10 FFCDHM Cc1nn(C)cc1[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277333840 510960381 /nfs/dbraw/zinc/96/03/81/510960381.db2.gz MRKYJTVTPMNWEA-NSHDSACASA-N -1 3 362.817 2.613 20 10 FFCDHM Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000277330152 510960829 /nfs/dbraw/zinc/96/08/29/510960829.db2.gz FAKBUXWBBLEOEF-SECBINFHSA-N -1 3 367.247 2.617 20 10 FFCDHM COc1c([O-])c(CN(CCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225540 510985334 /nfs/dbraw/zinc/98/53/34/510985334.db2.gz MDCKQLLAIWXZHZ-INIZCTEOSA-N -1 3 358.394 2.791 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282511200 511007145 /nfs/dbraw/zinc/00/71/45/511007145.db2.gz XKPQHIYCJANSLA-QGZVFWFLSA-N -1 3 364.785 2.714 20 10 FFCDHM COc1cc2c(cc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-])O[C@@H](C)C2 ZINC000278948966 511014987 /nfs/dbraw/zinc/01/49/87/511014987.db2.gz ZBDIYVJPDXBJOO-NSHDSACASA-N -1 3 374.393 2.931 20 10 FFCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000289575456 511105297 /nfs/dbraw/zinc/10/52/97/511105297.db2.gz JRCPNXTZHGQDGF-CQSZACIVSA-N -1 3 367.751 2.982 20 10 FFCDHM Cc1ccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c([O-])c1O ZINC000271279065 511147075 /nfs/dbraw/zinc/14/70/75/511147075.db2.gz NOWKJFMPGKLRCH-UHFFFAOYSA-N -1 3 370.405 2.753 20 10 FFCDHM COc1ccc([C@H](O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000291331591 511165544 /nfs/dbraw/zinc/16/55/44/511165544.db2.gz UGINKNBYIVVWCO-SFHVURJKSA-N -1 3 357.406 2.692 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000273002651 511515376 /nfs/dbraw/zinc/51/53/76/511515376.db2.gz OTJZTBWCKDLJGF-OLZOCXBDSA-N -1 3 364.442 2.782 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273478965 511527306 /nfs/dbraw/zinc/52/73/06/511527306.db2.gz LNEABFLYRLVZLH-RDTXWAMCSA-N -1 3 368.433 2.631 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000273469173 511527774 /nfs/dbraw/zinc/52/77/74/511527774.db2.gz FHODAQLDTCGNTF-NSHDSACASA-N -1 3 360.366 2.946 20 10 FFCDHM Cc1nc2n(n1)CCN(Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC000273522692 511530498 /nfs/dbraw/zinc/53/04/98/511530498.db2.gz QUCZXPKOFPBISU-UHFFFAOYSA-N -1 3 350.422 2.887 20 10 FFCDHM COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(OC)c1[O-] ZINC000273898873 511648129 /nfs/dbraw/zinc/64/81/29/511648129.db2.gz XDUWPFHNQDMTIE-UHFFFAOYSA-N -1 3 358.394 2.515 20 10 FFCDHM CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274760510 511933301 /nfs/dbraw/zinc/93/33/01/511933301.db2.gz JZLGBJWKBALNIA-ZIAGYGMSSA-N -1 3 354.248 2.663 20 10 FFCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000293522120 511996241 /nfs/dbraw/zinc/99/62/41/511996241.db2.gz DAPKUEVYDJLXMN-UHFFFAOYSA-N -1 3 369.799 2.845 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1ncoc1C1CC1 ZINC000293555948 512007283 /nfs/dbraw/zinc/00/72/83/512007283.db2.gz UIWTTWQEMIHFIR-UHFFFAOYSA-N -1 3 364.785 2.726 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@@H]21 ZINC000293680600 512049530 /nfs/dbraw/zinc/04/95/30/512049530.db2.gz LJJAVFRCYUYNOV-OCCSQVGLSA-N -1 3 362.426 2.569 20 10 FFCDHM O=C(Cc1ccncc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378603038 512845328 /nfs/dbraw/zinc/84/53/28/512845328.db2.gz YJLIESNTQODERL-KRWDZBQOSA-N -1 3 359.857 2.764 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccc(=O)[nH]1 ZINC000370293584 512862843 /nfs/dbraw/zinc/86/28/43/512862843.db2.gz HDRHBZMECZIMSM-CQSZACIVSA-N -1 3 361.829 2.541 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000528282735 518163759 /nfs/dbraw/zinc/16/37/59/518163759.db2.gz RONKZWBGGAMDFM-QOBXEIRBSA-N -1 3 357.248 2.766 20 10 FFCDHM CCN(CCOc1ccc(-c2nnn[n-]2)cc1OC)c1ccc(OC)cc1 ZINC000736542920 598984301 /nfs/dbraw/zinc/98/43/01/598984301.db2.gz WSHPZHUONBLZPL-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(OC)cc1 ZINC000736542920 598984302 /nfs/dbraw/zinc/98/43/02/598984302.db2.gz WSHPZHUONBLZPL-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(N2CCOCC2)cc1 ZINC000737576050 598635333 /nfs/dbraw/zinc/63/53/33/598635333.db2.gz SANCVGFYMZXJAO-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(N2CCOCC2)cc1 ZINC000737576050 598635335 /nfs/dbraw/zinc/63/53/35/598635335.db2.gz SANCVGFYMZXJAO-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM COc1ccc(O)c([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737105893 598756343 /nfs/dbraw/zinc/75/63/43/598756343.db2.gz LVMANHLBKZBKNI-VIFPVBQESA-N -1 3 356.342 2.662 20 10 FFCDHM COc1ccc(O)c([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737105893 598756344 /nfs/dbraw/zinc/75/63/44/598756344.db2.gz LVMANHLBKZBKNI-VIFPVBQESA-N -1 3 356.342 2.662 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[NH+]2CCC(N(C)C(=O)[O-])CC2)c1[O-] ZINC000738051491 602528217 /nfs/dbraw/zinc/52/82/17/602528217.db2.gz PNRJPGHMUHNRSA-UHFFFAOYSA-N -1 3 372.421 2.906 20 10 FFCDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)ccc1O ZINC000826162244 608136430 /nfs/dbraw/zinc/13/64/30/608136430.db2.gz TZHUNAQIHPIHES-UHFFFAOYSA-N -1 3 355.398 2.518 20 10 FFCDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1O ZINC000826268355 608375453 /nfs/dbraw/zinc/37/54/53/608375453.db2.gz UAJASDHOGRTZHM-UHFFFAOYSA-N -1 3 350.357 2.602 20 10 FFCDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1O ZINC000826268355 608375455 /nfs/dbraw/zinc/37/54/55/608375455.db2.gz UAJASDHOGRTZHM-UHFFFAOYSA-N -1 3 350.357 2.602 20 10 FFCDHM COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1cc(Cl)cc(F)c1[O-] ZINC000897986026 735300488 /nfs/dbraw/zinc/30/04/88/735300488.db2.gz UUIYIRRSLNRKEN-LBPRGKRZSA-N -1 3 353.781 2.793 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@](C)(C(N)=O)c2cccc(Cl)c2)c1[O-] ZINC000079498225 728313749 /nfs/dbraw/zinc/31/37/49/728313749.db2.gz GOZVDGSRFFRWKJ-SFHVURJKSA-N -1 3 364.804 2.878 20 10 FFCDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(Br)ccc1[O-] ZINC000093610415 728476685 /nfs/dbraw/zinc/47/66/85/728476685.db2.gz KKBMMNDRMXUSEJ-GFCCVEGCSA-N -1 3 360.273 2.635 20 10 FFCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCC[C@H]1C ZINC000094098865 728479455 /nfs/dbraw/zinc/47/94/55/728479455.db2.gz JJIKYDQHRYLAQH-IUODEOHRSA-N -1 3 354.472 2.805 20 10 FFCDHM CCN(CC(=O)Nc1cc(C)on1)Cc1cc(Br)ccc1[O-] ZINC000174426794 729071594 /nfs/dbraw/zinc/07/15/94/729071594.db2.gz LBQYVFJLEBLIQZ-UHFFFAOYSA-N -1 3 368.231 2.912 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@H]21 ZINC000862244050 730680690 /nfs/dbraw/zinc/68/06/90/730680690.db2.gz VGLYQCDMEMRCKX-UKRRQHHQSA-N -1 3 374.300 2.696 20 10 FFCDHM CC1(C)CN(C(=O)C2CC2)CCN1Cc1c([O-])cccc1Br ZINC000862326440 730687785 /nfs/dbraw/zinc/68/77/85/730687785.db2.gz ODGMLFWVOSDPGQ-UHFFFAOYSA-N -1 3 367.287 2.988 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886520593 733799948 /nfs/dbraw/zinc/79/99/48/733799948.db2.gz ICVTVZLYRPUORD-RYUDHWBXSA-N -1 3 352.431 2.851 20 10 FFCDHM COC(=O)[C@H](CC1CCOCC1)NCc1cc(Br)ccc1[O-] ZINC000895591916 735028622 /nfs/dbraw/zinc/02/86/22/735028622.db2.gz QYXWIHKJEXHHGO-AWEZNQCLSA-N -1 3 372.259 2.603 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751535175 735891817 /nfs/dbraw/zinc/89/18/17/735891817.db2.gz NIXFRXFWGIVDPB-UHFFFAOYSA-N -1 3 364.423 2.810 20 10 FFCDHM CCNS(=O)(=O)c1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000903232571 736062738 /nfs/dbraw/zinc/06/27/38/736062738.db2.gz AZEYATYBFCTMPF-LBPRGKRZSA-N -1 3 352.431 2.680 20 10 FFCDHM C[C@H](NCc1nnnn1-c1ccccc1)c1cc(Br)ccc1[O-] ZINC000756492047 736336083 /nfs/dbraw/zinc/33/60/83/736336083.db2.gz ZCNINIHBWVWVSX-NSHDSACASA-N -1 3 374.242 2.981 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000767081208 737290380 /nfs/dbraw/zinc/29/03/80/737290380.db2.gz XBCNRIKDXQZNPQ-UHFFFAOYSA-N -1 3 360.266 2.933 20 10 FFCDHM CC(C)c1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000775225485 738074518 /nfs/dbraw/zinc/07/45/18/738074518.db2.gz KZWXKCYCJIUJMI-UHFFFAOYSA-N -1 3 362.451 2.817 20 10 FFCDHM CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2c([O-])cccc2F)cs1 ZINC000928704808 738897779 /nfs/dbraw/zinc/89/77/79/738897779.db2.gz DIYOKXXFZGNCRQ-UHFFFAOYSA-N -1 3 365.430 2.831 20 10 FFCDHM CC(C)[C@@H](C(=O)NCc1c([O-])cccc1F)S(=O)(=O)C1CCCCC1 ZINC000928711778 738898583 /nfs/dbraw/zinc/89/85/83/738898583.db2.gz LCVOZQSZVGRSCZ-KRWDZBQOSA-N -1 3 371.474 2.920 20 10 FFCDHM Cc1ccc([C@@](O)(CC(=O)NCc2c([O-])cccc2F)C(F)(F)F)o1 ZINC000928705611 738897660 /nfs/dbraw/zinc/89/76/60/738897660.db2.gz MBSQVHCINWJRNZ-HNNXBMFYSA-N -1 3 361.291 2.889 20 10 FFCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000796031275 740093834 /nfs/dbraw/zinc/09/38/34/740093834.db2.gz IXNKGPJRQKQZLI-MLGOLLRUSA-N -1 3 356.260 2.925 20 10 FFCDHM CC(C)(C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000799776237 740450396 /nfs/dbraw/zinc/45/03/96/740450396.db2.gz ONBCGTPLIXMQTH-HNNXBMFYSA-N -1 3 374.934 2.976 20 10 FFCDHM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809708820 741334621 /nfs/dbraw/zinc/33/46/21/741334621.db2.gz HZXRSNLOOILSME-LSDHHAIUSA-N -1 3 368.861 2.915 20 10 FFCDHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(Br)cc1[O-] ZINC000825650892 743306232 /nfs/dbraw/zinc/30/62/32/743306232.db2.gz AMRRVONPBRHLIS-DGFSRKRXSA-N -1 3 354.244 2.928 20 10 FFCDHM CSc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])N(C)C)cc1 ZINC000832932898 745766399 /nfs/dbraw/zinc/76/63/99/745766399.db2.gz CKHNRAAOEFXDDG-AWEZNQCLSA-N -1 3 364.442 2.992 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC000837155571 746380589 /nfs/dbraw/zinc/38/05/89/746380589.db2.gz LZZVOZQPETUSOB-RWMBFGLXSA-N -1 3 354.472 2.708 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000840995737 747252893 /nfs/dbraw/zinc/25/28/93/747252893.db2.gz PDSSFZYBNCSUCX-SNVBAGLBSA-N -1 3 358.232 2.850 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000840995737 747252896 /nfs/dbraw/zinc/25/28/96/747252896.db2.gz PDSSFZYBNCSUCX-SNVBAGLBSA-N -1 3 358.232 2.850 20 10 FFCDHM COc1c([O-])c(CN[C@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000846015045 748382593 /nfs/dbraw/zinc/38/25/93/748382593.db2.gz VTBDNLFTFFQTEP-BMIGLBTASA-N -1 3 350.346 2.660 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CC2CCCC2)c1 ZINC000848356104 748912305 /nfs/dbraw/zinc/91/23/05/748912305.db2.gz SCOMUNMMZKGFFM-HNNXBMFYSA-N -1 3 366.483 2.949 20 10 FFCDHM CC[C@@H](NCc1nc(C(N)=O)cs1)c1cc(Br)ccc1[O-] ZINC000850541561 749384324 /nfs/dbraw/zinc/38/43/24/749384324.db2.gz XUNKPICBUXHBFM-SNVBAGLBSA-N -1 3 370.272 2.951 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(O)c1[O-])C2 ZINC000890754370 960301304 /nfs/dbraw/zinc/30/13/04/960301304.db2.gz QLBWREALVVHULC-XQQFMLRXSA-N -1 3 362.426 2.616 20 10 FFCDHM C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cccc(O)c1[O-] ZINC000773436383 1013362267 /nfs/dbraw/zinc/36/22/67/1013362267.db2.gz FPORJRQORSRXDC-CQSZACIVSA-N -1 3 363.417 2.997 20 10 FFCDHM COc1ncccc1CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001176266631 1013674119 /nfs/dbraw/zinc/67/41/19/1013674119.db2.gz XXXVVZMVBNELJI-UHFFFAOYSA-N -1 3 357.797 2.856 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1[O-] ZINC000177248714 969145408 /nfs/dbraw/zinc/14/54/08/969145408.db2.gz YARMVOLUSSLMRI-UHFFFAOYSA-N -1 3 374.387 2.831 20 10 FFCDHM CC(C)C[C@@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899855230 977366666 /nfs/dbraw/zinc/36/66/66/977366666.db2.gz UXDCINHCTXVXBF-WMZOPIPTSA-N -1 3 363.502 2.609 20 10 FFCDHM Cc1cc([O-])c(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1Cl ZINC000825903811 1014397080 /nfs/dbraw/zinc/39/70/80/1014397080.db2.gz SNMQDUOAUYYGHU-LJQANCHMSA-N -1 3 373.884 2.698 20 10 FFCDHM CC(C)OCCCNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893943043 977608926 /nfs/dbraw/zinc/60/89/26/977608926.db2.gz PEKVBAYCUZFKRN-UHFFFAOYSA-N -1 3 370.440 2.814 20 10 FFCDHM O=C(NCCCC(=O)N1CCc2ccccc21)NCc1c([O-])cccc1F ZINC000918026000 990319551 /nfs/dbraw/zinc/31/95/51/990319551.db2.gz QBDLBWDRUMURSZ-UHFFFAOYSA-N -1 3 371.412 2.700 20 10 FFCDHM O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179937073 991376203 /nfs/dbraw/zinc/37/62/03/991376203.db2.gz XDWRHXLVMYXPLI-UHFFFAOYSA-N -1 3 367.424 2.900 20 10 FFCDHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000180024489 991401818 /nfs/dbraw/zinc/40/18/18/991401818.db2.gz GILIXEAGXMSSAI-KPZWWZAWSA-N -1 3 374.462 2.817 20 10 FFCDHM C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246013 994444723 /nfs/dbraw/zinc/44/47/23/994444723.db2.gz FZPQMFUWWPFORL-VXJOIVPMSA-N -1 3 355.312 2.892 20 10 FFCDHM C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267671 994590449 /nfs/dbraw/zinc/59/04/49/994590449.db2.gz QTFVAIJBTZFDHQ-SNVBAGLBSA-N -1 3 368.231 2.790 20 10 FFCDHM C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593303337 994733062 /nfs/dbraw/zinc/73/30/62/994733062.db2.gz BNMFSWBWFCOUMA-AWEZNQCLSA-N -1 3 356.422 2.778 20 10 FFCDHM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cccc(O)c2[O-])o1 ZINC001136859826 996896735 /nfs/dbraw/zinc/89/67/35/996896735.db2.gz DSJCDQQNBQDOPK-OAHLLOKOSA-N -1 3 351.362 2.729 20 10 FFCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000844447844 997896310 /nfs/dbraw/zinc/89/63/10/997896310.db2.gz WEPKHIFSHVKIHD-XGWLTEMNSA-N -1 3 367.417 2.570 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@](O)(CF)CC1 ZINC001144298293 998285132 /nfs/dbraw/zinc/28/51/32/998285132.db2.gz ATIUDRQHWCHIBB-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM COc1ccc([C@@H](O)C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001144780416 1000274574 /nfs/dbraw/zinc/27/45/74/1000274574.db2.gz JMKSCUJKYKQUJQ-GOSISDBHSA-N -1 3 372.808 2.952 20 10 FFCDHM COc1ccccc1C1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC001148224258 1001075238 /nfs/dbraw/zinc/07/52/38/1001075238.db2.gz GFHHVYLDTZPOTH-UHFFFAOYSA-N -1 3 357.406 2.585 20 10 FFCDHM Cn1c2ccccc2nc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC001148225226 1001075850 /nfs/dbraw/zinc/07/58/50/1001075850.db2.gz GPSCGBJTTLMOHY-GOSISDBHSA-N -1 3 374.400 2.899 20 10 FFCDHM O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148588104 1001176745 /nfs/dbraw/zinc/17/67/45/1001176745.db2.gz OAZGDMYLICPDGI-LBPRGKRZSA-N -1 3 363.341 2.753 20 10 FFCDHM CCOCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276193310 1016507757 /nfs/dbraw/zinc/50/77/57/1016507757.db2.gz YTHKJJQWERHNDH-LJQANCHMSA-N -1 3 368.424 2.664 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCC[C@@]12CCOC2 ZINC001232980951 1036215475 /nfs/dbraw/zinc/21/54/75/1036215475.db2.gz ZHQFROPORPFMET-AWEZNQCLSA-N -1 3 359.207 2.752 20 10 FFCDHM C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790200278 1002302487 /nfs/dbraw/zinc/30/24/87/1002302487.db2.gz CRXGEUDQWHOUDJ-GFCCVEGCSA-N -1 3 356.378 2.888 20 10 FFCDHM CCOC(=O)Cn1ccc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000790603678 1002430781 /nfs/dbraw/zinc/43/07/81/1002430781.db2.gz IPQLXEHIPQDYKZ-UHFFFAOYSA-N -1 3 354.362 2.868 20 10 FFCDHM C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000790887740 1002508139 /nfs/dbraw/zinc/50/81/39/1002508139.db2.gz MPTRSVWVLYPFKU-GXTWGEPZSA-N -1 3 364.442 2.863 20 10 FFCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790887392 1002508335 /nfs/dbraw/zinc/50/83/35/1002508335.db2.gz JHSHAYUTGKSGLP-ZDUSSCGKSA-N -1 3 364.442 2.959 20 10 FFCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000790904005 1002515521 /nfs/dbraw/zinc/51/55/21/1002515521.db2.gz FFZURQGOHFNCFN-TZMCWYRMSA-N -1 3 364.442 2.863 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cn2cnccc2n1 ZINC001152490757 1032178812 /nfs/dbraw/zinc/17/88/12/1032178812.db2.gz IOGXPYOZHIPQCI-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000854868383 1007009574 /nfs/dbraw/zinc/00/95/74/1007009574.db2.gz ACSSLQXZHUOHNC-UHFFFAOYSA-N -1 3 364.405 2.903 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@@](N)(C(F)(F)F)C2)cc1Br ZINC001206243729 1032197557 /nfs/dbraw/zinc/19/75/57/1032197557.db2.gz FVJIIWHDSIFQRT-LBPRGKRZSA-N -1 3 369.181 2.629 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875491 1008233440 /nfs/dbraw/zinc/23/34/40/1008233440.db2.gz QHLVJUPNRQAGGL-KZULUSFZSA-N -1 3 354.406 2.543 20 10 FFCDHM C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1c([O-])cccc1F ZINC000886600879 1008764864 /nfs/dbraw/zinc/76/48/64/1008764864.db2.gz DPFJVSPIRBXWIV-LBPRGKRZSA-N -1 3 356.405 2.877 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(F)CN(Cc3cc(Cl)ccc3[O-])C[C@@]2(F)C1=O ZINC001275247511 1012135547 /nfs/dbraw/zinc/13/55/47/1012135547.db2.gz AVFREOSKGUGXFM-MZPVMMEZSA-N -1 3 358.816 2.919 20 10 FFCDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCCN1C(=O)c1ccccc1 ZINC000928704819 1019081975 /nfs/dbraw/zinc/08/19/75/1019081975.db2.gz DRIHEPWBCIATMH-FQEVSTJZSA-N -1 3 356.397 2.842 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707343 1019083451 /nfs/dbraw/zinc/08/34/51/1019083451.db2.gz CWCDCJDDUIKYKB-DJJJIMSYSA-N -1 3 364.417 2.795 20 10 FFCDHM O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1c([O-])cccc1F ZINC000928708552 1019083755 /nfs/dbraw/zinc/08/37/55/1019083755.db2.gz OSUGYNZILJZHBP-UHFFFAOYSA-N -1 3 370.380 2.614 20 10 FFCDHM CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)CO1 ZINC000928710501 1019084682 /nfs/dbraw/zinc/08/46/82/1019084682.db2.gz NLRUHNYZHJLKJM-CHWSQXEVSA-N -1 3 367.417 2.675 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000928711176 1019086140 /nfs/dbraw/zinc/08/61/40/1019086140.db2.gz GGJBNRWZWCLZEB-QGZVFWFLSA-N -1 3 356.397 2.842 20 10 FFCDHM CCCNC(=O)Nc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928711576 1019086394 /nfs/dbraw/zinc/08/63/94/1019086394.db2.gz JDKAHBYZOREAHH-UHFFFAOYSA-N -1 3 359.401 2.922 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000725856353 1020271313 /nfs/dbraw/zinc/27/13/13/1020271313.db2.gz NWHGIIHNVQAHJT-UHFFFAOYSA-N -1 3 353.378 2.720 20 10 FFCDHM COc1c(OC[C@H]2C[C@H](O)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218429254 1033150466 /nfs/dbraw/zinc/15/04/66/1033150466.db2.gz KASVBJALLHTRER-HAQNSBGRSA-N -1 3 368.385 2.634 20 10 FFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000758152016 1023942485 /nfs/dbraw/zinc/94/24/85/1023942485.db2.gz ZOSQDPDCYVDCNR-UHFFFAOYSA-N -1 3 372.446 2.727 20 10 FFCDHM COc1ccc(OC)c(CN2CCN(Cc3c([O-])cccc3F)CC2)c1 ZINC001137837336 1033178024 /nfs/dbraw/zinc/17/80/24/1033178024.db2.gz BRASIRSFWQGCGY-UHFFFAOYSA-N -1 3 360.429 2.866 20 10 FFCDHM CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cccc(O)c1[O-] ZINC001124017562 1024227243 /nfs/dbraw/zinc/22/72/43/1024227243.db2.gz AXJTZGZXSHUQRS-UHFFFAOYSA-N -1 3 364.442 2.817 20 10 FFCDHM Nc1n[nH]c2cc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])ccc12 ZINC001154177415 1028176225 /nfs/dbraw/zinc/17/62/25/1028176225.db2.gz OHSUCIPYJOJOGP-UHFFFAOYSA-N -1 3 367.796 2.982 20 10 FFCDHM Cc1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c([O-])c1O ZINC000780999693 1028925806 /nfs/dbraw/zinc/92/58/06/1028925806.db2.gz QZHXWNNFUBYPKD-UHFFFAOYSA-N -1 3 361.361 2.787 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[C@H]1O ZINC001203664156 1030814313 /nfs/dbraw/zinc/81/43/13/1030814313.db2.gz PBPCGVPEWGAOMC-UKRRQHHQSA-N -1 3 356.850 2.506 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(O)(C(F)(F)F)CC1 ZINC001139126560 1034957016 /nfs/dbraw/zinc/95/70/16/1034957016.db2.gz KMVLVALLMWOIRT-UHFFFAOYSA-N -1 3 357.328 2.696 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCc3ccccc32)c1 ZINC000833399501 1035182047 /nfs/dbraw/zinc/18/20/47/1035182047.db2.gz ZBCGQEKTBLNVRS-CQSZACIVSA-N -1 3 374.462 2.614 20 10 FFCDHM CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1Cc1cc(F)ccc1[O-] ZINC001140063170 1035327785 /nfs/dbraw/zinc/32/77/85/1035327785.db2.gz MEIDQGSMONFZBM-QGZVFWFLSA-N -1 3 360.433 2.544 20 10 FFCDHM COC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1c([O-])cccc1Cl ZINC001140341705 1035444464 /nfs/dbraw/zinc/44/44/64/1035444464.db2.gz DFIPJGUQHLVORP-GOSISDBHSA-N -1 3 374.868 2.905 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1ccc(Cl)cc1[O-])CCO2 ZINC001140463301 1035484845 /nfs/dbraw/zinc/48/48/45/1035484845.db2.gz ZHTNPOJCYXZAKZ-UHFFFAOYSA-N -1 3 368.861 2.867 20 10 FFCDHM COc1cc(OC[C@H]2CCO2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227394341 1035531983 /nfs/dbraw/zinc/53/19/83/1035531983.db2.gz ASZMDYOFBJPRRB-LLVKDONJSA-N -1 3 354.358 2.652 20 10 FFCDHM O=C1Nc2ccccc2CN1C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232266224 1035537813 /nfs/dbraw/zinc/53/78/13/1035537813.db2.gz RYGNWUUCDFTEPJ-UHFFFAOYSA-N -1 3 359.813 2.983 20 10 FFCDHM COC(=O)c1cnc2c(c1)CN(Cc1cc(Cl)c(OC)cc1[O-])CC2 ZINC001232270819 1035539666 /nfs/dbraw/zinc/53/96/66/1035539666.db2.gz JJZKJHQXIKRTSZ-UHFFFAOYSA-N -1 3 362.813 2.794 20 10 FFCDHM CC(C)CN1C[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277231323 1035667833 /nfs/dbraw/zinc/66/78/33/1035667833.db2.gz BDHKQVRAJLHNBD-GOSISDBHSA-N -1 3 352.862 2.505 20 10 FFCDHM CN1CC[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228186012 1035980461 /nfs/dbraw/zinc/98/04/61/1035980461.db2.gz NAJDDRYHIOSWSQ-CXAGYDPISA-N -1 3 371.389 2.593 20 10 FFCDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])CCCC1=O ZINC001232974358 1036205954 /nfs/dbraw/zinc/20/59/54/1036205954.db2.gz LOAMHLXMOGTMBP-SNVBAGLBSA-N -1 3 359.207 2.798 20 10 FFCDHM O=C1CC2(CN1CC1CC1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233336249 1036540626 /nfs/dbraw/zinc/54/06/26/1036540626.db2.gz FHLQCZXVBWNYBD-UHFFFAOYSA-N -1 3 350.409 2.895 20 10 FFCDHM Cc1cc(O[C@@H]2CCCOC2=O)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542487 1036730919 /nfs/dbraw/zinc/73/09/19/1036730919.db2.gz NIEDLZJTPZNMDJ-CQSZACIVSA-N -1 3 352.342 2.560 20 10 FFCDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234562809 1037091376 /nfs/dbraw/zinc/09/13/76/1037091376.db2.gz UMPCXUBPLMZOIB-HNNXBMFYSA-N -1 3 351.349 2.937 20 10 FFCDHM CNC(=O)CN(Cc1ccccc1)Cc1c([O-])cccc1Br ZINC001207234045 1037268294 /nfs/dbraw/zinc/26/82/94/1037268294.db2.gz ITZOFMHQDGKSJZ-UHFFFAOYSA-N -1 3 363.255 2.903 20 10 FFCDHM COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235069994 1037338097 /nfs/dbraw/zinc/33/80/97/1037338097.db2.gz ZGTHSJAIZQEIHQ-MWLCHTKSSA-N -1 3 360.223 2.925 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001231449105 1037589009 /nfs/dbraw/zinc/58/90/09/1037589009.db2.gz DYEXKYPMMPGZTJ-IBGZPJMESA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001231449105 1037589015 /nfs/dbraw/zinc/58/90/15/1037589015.db2.gz DYEXKYPMMPGZTJ-IBGZPJMESA-N -1 3 372.446 2.781 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(C(=O)[O-])cc3O)C2)C1 ZINC001231449266 1037589590 /nfs/dbraw/zinc/58/95/90/1037589590.db2.gz ICCDDKPFIVBWDD-UHFFFAOYSA-N -1 3 362.426 2.533 20 10 FFCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454329 1037594217 /nfs/dbraw/zinc/59/42/17/1037594217.db2.gz VEIKMNCJMRYTND-RISCZKNCSA-N -1 3 350.415 2.578 20 10 FFCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454329 1037594229 /nfs/dbraw/zinc/59/42/29/1037594229.db2.gz VEIKMNCJMRYTND-RISCZKNCSA-N -1 3 350.415 2.578 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)N(Cc2cccc(Cl)c2[O-])C1 ZINC001231914842 1038012841 /nfs/dbraw/zinc/01/28/41/1038012841.db2.gz RWBWVJDAPOXOQN-QWHCGFSZSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(=O)N1CCO[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])CC[C@@H]2C1 ZINC001236789099 1038271194 /nfs/dbraw/zinc/27/11/94/1038271194.db2.gz CEZJGXNWYJEWPL-SJKOYZFVSA-N -1 3 373.280 2.768 20 10 FFCDHM COc1ccnc(N2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)c1 ZINC001236810843 1038284933 /nfs/dbraw/zinc/28/49/33/1038284933.db2.gz XZVNSFBXKVWXHM-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM COCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(F)c1Cl ZINC001278025468 1038346085 /nfs/dbraw/zinc/34/60/85/1038346085.db2.gz SLVFZBPSAZMYRL-HUUCEWRRSA-N -1 3 370.852 2.787 20 10 FFCDHM CC(C)(C)OC[C@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001253464836 1040195079 /nfs/dbraw/zinc/19/50/79/1040195079.db2.gz RKAIRJWPUXIEGF-GFCCVEGCSA-N -1 3 369.417 2.756 20 10 FFCDHM COC(=O)[C@H]1CN(C)CCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248884770 1040493027 /nfs/dbraw/zinc/49/30/27/1040493027.db2.gz CFBZJBXIRFYNNF-OAHLLOKOSA-N -1 3 354.878 2.632 20 10 FFCDHM COC1(CC(=O)N2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)ccc2[O-])CCC1 ZINC001278566826 1041194522 /nfs/dbraw/zinc/19/45/22/1041194522.db2.gz ICKSIBLYTPESGC-IYBDPMFKSA-N -1 3 364.873 2.790 20 10 FFCDHM Cc1nc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)ccc1Br ZINC001215327544 1041739945 /nfs/dbraw/zinc/73/99/45/1041739945.db2.gz HIPBJEZIBSFAQM-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM CC(C)NC(=O)N1CCC12CN(Cc1c([O-])cccc1Br)C2 ZINC001279219410 1042949470 /nfs/dbraw/zinc/94/94/70/1042949470.db2.gz CIANGMSJIKPTIP-UHFFFAOYSA-N -1 3 368.275 2.533 20 10 FFCDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1Br ZINC001279219418 1042949759 /nfs/dbraw/zinc/94/97/59/1042949759.db2.gz CKFBRCCNXIFDSL-TXEJJXNPSA-N -1 3 368.275 2.531 20 10 FFCDHM O=C(Nc1cccnc1)N1CCC2(CN(Cc3c([O-])cccc3F)C2)C1 ZINC001279421568 1043093182 /nfs/dbraw/zinc/09/31/82/1043093182.db2.gz KLNHGKMBZXEQLU-UHFFFAOYSA-N -1 3 356.401 2.666 20 10 FFCDHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2c([O-])ccc(F)c2F)n(C)n1 ZINC001279490044 1043175564 /nfs/dbraw/zinc/17/55/64/1043175564.db2.gz OFQORCJDQAMFNC-IRXDYDNUSA-N -1 3 362.424 2.561 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3cncnc3)CC2)cc1Br ZINC001237682255 1043309968 /nfs/dbraw/zinc/30/99/68/1043309968.db2.gz PBKNSNHGXLGOBQ-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CCC1(O)CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237781539 1043356709 /nfs/dbraw/zinc/35/67/09/1043356709.db2.gz XMQZQHHFZPODLW-UHFFFAOYSA-N -1 3 361.223 2.734 20 10 FFCDHM O=C(c1cc2c([nH]1)CN(Cc1cc(Cl)ccc1[O-])CC2)N1CC=CC1 ZINC001279983583 1044034337 /nfs/dbraw/zinc/03/43/37/1044034337.db2.gz MLNRDQHHHWNVHL-UHFFFAOYSA-N -1 3 357.841 2.944 20 10 FFCDHM O=C(c1n[nH]c2c1CN(Cc1cc(F)ccc1[O-])C2)N1CCCC12CC2 ZINC001280298344 1044565975 /nfs/dbraw/zinc/56/59/75/1044565975.db2.gz KWUPRZZXIXDKAB-UHFFFAOYSA-N -1 3 356.401 2.539 20 10 FFCDHM CCc1c(C(=O)NCc2c([O-])cccc2F)nnn1Cc1ccccc1 ZINC001303875678 1051463762 /nfs/dbraw/zinc/46/37/62/1051463762.db2.gz MBIZPUWQQROQIK-UHFFFAOYSA-N -1 3 354.385 2.664 20 10 FFCDHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)S(=O)(=O)c1ccc(F)cc1 ZINC001303879282 1051465176 /nfs/dbraw/zinc/46/51/76/1051465176.db2.gz WCEYKUMTOQXECP-NSHDSACASA-N -1 3 369.389 2.539 20 10 FFCDHM CCc1ccc2c(c1)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC001351115971 1056094111 /nfs/dbraw/zinc/09/41/11/1056094111.db2.gz NRZCACRLTHHPGJ-UHFFFAOYSA-N -1 3 374.462 2.525 20 10 FFCDHM COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1F ZINC001453549264 1059383428 /nfs/dbraw/zinc/38/34/28/1059383428.db2.gz NPYRWPKUNGXFNZ-JTQLQIEISA-N -1 3 363.341 2.738 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001456029491 1059990923 /nfs/dbraw/zinc/99/09/23/1059990923.db2.gz NZEMQGPYVRUJPJ-UHFFFAOYSA-N -1 3 362.311 2.656 20 10 FFCDHM CC(C)Cn1nc(C(=O)NCc2c([O-])cccc2F)c2ccccc2c1=O ZINC001456101608 1060011892 /nfs/dbraw/zinc/01/18/92/1060011892.db2.gz SWFWKRPKKNBGBA-UHFFFAOYSA-N -1 3 369.396 2.827 20 10 FFCDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001469697199 1064193825 /nfs/dbraw/zinc/19/38/25/1064193825.db2.gz DQXSSXREAHJFAI-UHFFFAOYSA-N -1 3 359.407 2.782 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001471975783 1064875504 /nfs/dbraw/zinc/87/55/04/1064875504.db2.gz HIYRRYXUKGAFSW-UHFFFAOYSA-N -1 3 373.352 2.599 20 10 FFCDHM CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC001471975919 1064876265 /nfs/dbraw/zinc/87/62/65/1064876265.db2.gz MQTLSJYSOZYMRN-UHFFFAOYSA-N -1 3 352.406 2.937 20 10 FFCDHM O=C(N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001557170040 1075818209 /nfs/dbraw/zinc/81/82/09/1075818209.db2.gz BSDDYOJEBOMRID-ZDUSSCGKSA-N -1 3 371.311 2.850 20 10 FFCDHM C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693469 1076291928 /nfs/dbraw/zinc/29/19/28/1076291928.db2.gz JDZKQBNGXPGGHP-BDAKNGLRSA-N -1 3 361.667 2.894 20 10 FFCDHM O=C([N-]CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1)C(F)(F)F ZINC001560795114 1076300235 /nfs/dbraw/zinc/30/02/35/1076300235.db2.gz MLTBFUNHSKVVJL-UHFFFAOYSA-N -1 3 352.303 2.561 20 10 FFCDHM O=c1[nH]c2cccc(N3CCN(Cc4ccc(Cl)cc4[O-])CC3)c2[nH]1 ZINC001561018095 1076320126 /nfs/dbraw/zinc/32/01/26/1076320126.db2.gz PEOUAQPMYAGJFL-UHFFFAOYSA-N -1 3 358.829 2.950 20 10 FFCDHM C[C@@H]1[C@@H](C)N(C(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC001566941129 1076989526 /nfs/dbraw/zinc/98/95/26/1076989526.db2.gz AQUPSIZQAJCROR-VXGBXAGGSA-N -1 3 350.415 2.568 20 10 FFCDHM C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC001589937377 1080882218 /nfs/dbraw/zinc/88/22/18/1080882218.db2.gz PUXPIMZUDOWFBN-VXGBXAGGSA-N -1 3 352.398 2.694 20 10 FFCDHM C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC001589937377 1080882226 /nfs/dbraw/zinc/88/22/26/1080882226.db2.gz PUXPIMZUDOWFBN-VXGBXAGGSA-N -1 3 352.398 2.694 20 10 FFCDHM C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951600 1080897876 /nfs/dbraw/zinc/89/78/76/1080897876.db2.gz HTRUFAPPEWWJGG-NSHDSACASA-N -1 3 365.393 2.641 20 10 FFCDHM C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589958461 1080903010 /nfs/dbraw/zinc/90/30/10/1080903010.db2.gz YTVCBVQILMKTKL-JSGCOSHPSA-N -1 3 368.416 2.641 20 10 FFCDHM C[C@@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978122 1080917055 /nfs/dbraw/zinc/91/70/55/1080917055.db2.gz KSZMUFICUARUKA-CYBMUJFWSA-N -1 3 373.457 2.546 20 10 FFCDHM CCCCN(CC(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094037559 508164876 /nfs/dbraw/zinc/16/48/76/508164876.db2.gz JLYRGVPPBCWUTM-UHFFFAOYSA-N -1 3 368.377 2.568 20 10 FFCDHM COc1cc(Br)cc(CN2CCOC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000377704774 512409847 /nfs/dbraw/zinc/40/98/47/512409847.db2.gz WRTDAZUTDBLGKF-ZIAGYGMSSA-N -1 3 372.259 2.543 20 10 FFCDHM COc1cc(Br)cc(CN2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC000179464946 509458247 /nfs/dbraw/zinc/45/82/47/509458247.db2.gz BUWXBGSNONLLLZ-CYBMUJFWSA-N -1 3 367.247 2.592 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c([O-])c1O ZINC000186415356 509699507 /nfs/dbraw/zinc/69/95/07/509699507.db2.gz BVBPEEONAXIGIG-UHFFFAOYSA-N -1 3 363.360 2.808 20 10 FFCDHM Cc1cc(Br)cc(CN(CCO)Cc2cccnc2)c1[O-] ZINC000180051888 509726206 /nfs/dbraw/zinc/72/62/06/509726206.db2.gz DMSGVZUZLDSQIA-UHFFFAOYSA-N -1 3 351.244 2.853 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c([O-])c1O ZINC000190076474 509924486 /nfs/dbraw/zinc/92/44/86/509924486.db2.gz PGLMEUTYPPPVSB-UHFFFAOYSA-N -1 3 364.405 2.787 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCOCC3(CCOCC3)C2)c1[O-] ZINC000184110840 510138892 /nfs/dbraw/zinc/13/88/92/510138892.db2.gz XHVWHFGBJDRPLN-UHFFFAOYSA-N -1 3 353.846 2.877 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000182310335 510847961 /nfs/dbraw/zinc/84/79/61/510847961.db2.gz BPSRZCJTSONHHX-UHFFFAOYSA-N -1 3 368.433 2.749 20 10 FFCDHM COc1c([O-])c(CN[C@H](C)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278636810 511001584 /nfs/dbraw/zinc/00/15/84/511001584.db2.gz HIRIEKXOGLUKHB-LLVKDONJSA-N -1 3 360.366 2.931 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)N(C(N)=O)CCC3)ccc1[N+](=O)[O-] ZINC000278698885 511005018 /nfs/dbraw/zinc/00/50/18/511005018.db2.gz PAOKLEQVJQCQCB-UHFFFAOYSA-N -1 3 372.381 2.752 20 10 FFCDHM COc1c([O-])c(CNc2ccc(C)c(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000278949008 511014366 /nfs/dbraw/zinc/01/43/66/511014366.db2.gz ZBTGATSKJHNXOT-UHFFFAOYSA-N -1 3 359.382 2.931 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000287597841 511052980 /nfs/dbraw/zinc/05/29/80/511052980.db2.gz YPNKOMPONOLWHT-CYBMUJFWSA-N -1 3 350.846 2.693 20 10 FFCDHM CC(C)C(=O)NC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000271051750 511069385 /nfs/dbraw/zinc/06/93/85/511069385.db2.gz PQYJJASEYMEQLI-UHFFFAOYSA-N -1 3 355.276 2.891 20 10 FFCDHM CSCC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1nnc2ccccn21 ZINC000271301108 511155588 /nfs/dbraw/zinc/15/55/88/511155588.db2.gz SHUKHDZKPIAJCO-CYBMUJFWSA-N -1 3 372.450 2.673 20 10 FFCDHM C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464400 511527432 /nfs/dbraw/zinc/52/74/32/511527432.db2.gz IOVBNAYGSIFJDL-SUMWQHHRSA-N -1 3 355.394 2.752 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000273479990 511527931 /nfs/dbraw/zinc/52/79/31/511527931.db2.gz LUKZJUDPRPKBJQ-NSHDSACASA-N -1 3 356.378 2.707 20 10 FFCDHM CC(C)C[C@]1(C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000296320137 511698568 /nfs/dbraw/zinc/69/85/68/511698568.db2.gz SUECASWEYRVUHN-KRWDZBQOSA-N -1 3 354.472 2.805 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN([C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641012 511833361 /nfs/dbraw/zinc/83/33/61/511833361.db2.gz YCHOVOOLMTUUNR-BZQUYTCOSA-N -1 3 371.474 2.759 20 10 FFCDHM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000274877442 511974046 /nfs/dbraw/zinc/97/40/46/511974046.db2.gz HGBYUEOHXPSWMY-AWEZNQCLSA-N -1 3 371.393 2.651 20 10 FFCDHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(O)c2[O-])c1 ZINC000274936025 511992788 /nfs/dbraw/zinc/99/27/88/511992788.db2.gz FILHBEYCMAFXGU-INIZCTEOSA-N -1 3 357.406 2.928 20 10 FFCDHM O=S1(=O)CCCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000359955380 512058778 /nfs/dbraw/zinc/05/87/78/512058778.db2.gz HXZKPHWZBGOSHQ-UHFFFAOYSA-N -1 3 361.463 2.592 20 10 FFCDHM COC(=O)C(C)(C)c1csc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000293799297 512087431 /nfs/dbraw/zinc/08/74/31/512087431.db2.gz PJZHPXLEXIJYIU-UHFFFAOYSA-N -1 3 350.396 2.566 20 10 FFCDHM CN(C[C@@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000375864627 512543326 /nfs/dbraw/zinc/54/33/26/512543326.db2.gz AWGPISWSEZDSGB-RYUDHWBXSA-N -1 3 368.405 2.517 20 10 FFCDHM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc(=O)[n-]1 ZINC000376095249 512658051 /nfs/dbraw/zinc/65/80/51/512658051.db2.gz LKBMPYKOEJSQEA-UHFFFAOYSA-N -1 3 369.393 2.849 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000374481739 512852456 /nfs/dbraw/zinc/85/24/56/512852456.db2.gz OUSPGHCCTDVATJ-QGZVFWFLSA-N -1 3 361.417 2.658 20 10 FFCDHM O=S(=O)(C1CC1)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000529641320 517260357 /nfs/dbraw/zinc/26/03/57/517260357.db2.gz PWGWASGSYOXYHI-UHFFFAOYSA-N -1 3 372.490 2.669 20 10 FFCDHM COc1ccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737100538 598506417 /nfs/dbraw/zinc/50/64/17/598506417.db2.gz ZRVRCOGBJSSZIS-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM COc1ccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737100538 598506419 /nfs/dbraw/zinc/50/64/19/598506419.db2.gz ZRVRCOGBJSSZIS-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM CSC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737176685 599391489 /nfs/dbraw/zinc/39/14/89/599391489.db2.gz PGEUFRKNJLKXJO-LLVKDONJSA-N -1 3 370.482 2.756 20 10 FFCDHM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233347 599573480 /nfs/dbraw/zinc/57/34/80/599573480.db2.gz DQVFXRIZWSEGEX-QAPCUYQASA-N -1 3 362.437 2.899 20 10 FFCDHM O=[N+]([O-])c1cc(NCCCSc2nccs2)ccc1-c1nnn[n-]1 ZINC000826498100 607636119 /nfs/dbraw/zinc/63/61/19/607636119.db2.gz HPNYDUITFFBJFV-UHFFFAOYSA-N -1 3 363.428 2.826 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896941 605655398 /nfs/dbraw/zinc/65/53/98/605655398.db2.gz BRYMMHIUTKPBRL-GHMZBOCLSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[O-] ZINC000833896941 605655401 /nfs/dbraw/zinc/65/54/01/605655401.db2.gz BRYMMHIUTKPBRL-GHMZBOCLSA-N -1 3 357.248 2.941 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821222055 606536313 /nfs/dbraw/zinc/53/63/13/606536313.db2.gz OARUMSKTWYOQAO-UHFFFAOYSA-N -1 3 364.453 2.524 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821222055 606536315 /nfs/dbraw/zinc/53/63/15/606536315.db2.gz OARUMSKTWYOQAO-UHFFFAOYSA-N -1 3 364.453 2.524 20 10 FFCDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821827486 606912132 /nfs/dbraw/zinc/91/21/32/606912132.db2.gz CPXWQKOAOKJYOP-OAHLLOKOSA-N -1 3 359.817 2.699 20 10 FFCDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821827486 606912133 /nfs/dbraw/zinc/91/21/33/606912133.db2.gz CPXWQKOAOKJYOP-OAHLLOKOSA-N -1 3 359.817 2.699 20 10 FFCDHM COc1ccc(N(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000821828084 606923459 /nfs/dbraw/zinc/92/34/59/606923459.db2.gz PQWKAOFZPIQXJU-KRWDZBQOSA-N -1 3 371.416 2.963 20 10 FFCDHM COc1ccc(N(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000821828084 606923461 /nfs/dbraw/zinc/92/34/61/606923461.db2.gz PQWKAOFZPIQXJU-KRWDZBQOSA-N -1 3 371.416 2.963 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(N2CCSCC2)cc1 ZINC000826280590 608544635 /nfs/dbraw/zinc/54/46/35/608544635.db2.gz IAKYQKMROWMAHV-UHFFFAOYSA-N -1 3 367.482 2.735 20 10 FFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000153951493 728792229 /nfs/dbraw/zinc/79/22/29/728792229.db2.gz NLRGEPUMYQIZAJ-CYBMUJFWSA-N -1 3 357.248 2.865 20 10 FFCDHM COC(=O)CN(Cc1cccc(OC)n1)Cc1cc(Cl)ccc1[O-] ZINC000172537068 729027670 /nfs/dbraw/zinc/02/76/70/729027670.db2.gz CUCDOLIUYMOWAW-UHFFFAOYSA-N -1 3 350.802 2.624 20 10 FFCDHM C[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS(=O)(=O)C1 ZINC000191369541 729416227 /nfs/dbraw/zinc/41/62/27/729416227.db2.gz CFFMWLLIVCZKBJ-CYBMUJFWSA-N -1 3 363.479 2.884 20 10 FFCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000779028342 738431012 /nfs/dbraw/zinc/43/10/12/738431012.db2.gz HFFXNQPYMBQTGY-MLGOLLRUSA-N -1 3 354.422 2.645 20 10 FFCDHM Cn1nccc1[C@H](O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000857062683 730376958 /nfs/dbraw/zinc/37/69/58/730376958.db2.gz NGOWMFMETZPUSU-QGZVFWFLSA-N -1 3 353.825 2.864 20 10 FFCDHM COc1c([O-])c(CNCc2ncc(Br)s2)ccc1[N+](=O)[O-] ZINC000877766557 732425994 /nfs/dbraw/zinc/42/59/94/732425994.db2.gz FIKPYSCUCDGXEF-UHFFFAOYSA-N -1 3 374.216 2.818 20 10 FFCDHM COC(=O)CN(Cc1nccn1CC(F)F)Cc1cc(Cl)ccc1[O-] ZINC000878242980 732503367 /nfs/dbraw/zinc/50/33/67/732503367.db2.gz TWSNDGXEUJZWHN-UHFFFAOYSA-N -1 3 373.787 2.682 20 10 FFCDHM CC(C)NS(=O)(=O)c1cccc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000882913130 733310740 /nfs/dbraw/zinc/31/07/40/733310740.db2.gz KGZBCKRXTAUTTB-UHFFFAOYSA-N -1 3 370.421 2.647 20 10 FFCDHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000893908917 734770833 /nfs/dbraw/zinc/77/08/33/734770833.db2.gz GHRVEADIFLMHKG-JTQLQIEISA-N -1 3 356.394 2.511 20 10 FFCDHM O=C1C[C@@]2(CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)CN1 ZINC000894591650 734884024 /nfs/dbraw/zinc/88/40/24/734884024.db2.gz FPFCJLXVMRPRQQ-AWEZNQCLSA-N -1 3 359.651 2.520 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)C(C)C)CC2)c1[O-] ZINC000748051446 735611848 /nfs/dbraw/zinc/61/18/48/735611848.db2.gz XNDJRPWUBBDKRH-UHFFFAOYSA-N -1 3 352.862 2.985 20 10 FFCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000767441409 737325922 /nfs/dbraw/zinc/32/59/22/737325922.db2.gz WWUFVDYRNFCYIB-GFCCVEGCSA-N -1 3 367.398 2.747 20 10 FFCDHM CCN(CC)C(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768296257 737412650 /nfs/dbraw/zinc/41/26/50/737412650.db2.gz MJOMKFCOXILGLO-UHFFFAOYSA-N -1 3 370.291 2.734 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC000769687997 737553752 /nfs/dbraw/zinc/55/37/52/737553752.db2.gz AYBADKZFWAXLKC-IVMMDQJWSA-N -1 3 366.483 2.805 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000776017773 738152637 /nfs/dbraw/zinc/15/26/37/738152637.db2.gz RKDMPINYVLOONF-CQSZACIVSA-N -1 3 356.850 2.771 20 10 FFCDHM O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC000776341961 738184504 /nfs/dbraw/zinc/18/45/04/738184504.db2.gz UMPVNNWDFPQVGN-VIFPVBQESA-N -1 3 372.204 2.574 20 10 FFCDHM O=C(CCC(=O)N1CCc2sccc2C1)NCc1c([O-])cccc1F ZINC000928712766 738898965 /nfs/dbraw/zinc/89/89/65/738898965.db2.gz ZAONPUAPYTYPQH-UHFFFAOYSA-N -1 3 362.426 2.574 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2nnnn2C2CC2)c1 ZINC000791010314 739523197 /nfs/dbraw/zinc/52/31/97/739523197.db2.gz WTPQAJNVTCZVSJ-VIFPVBQESA-N -1 3 352.236 2.635 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000793232578 739755686 /nfs/dbraw/zinc/75/56/86/739755686.db2.gz YUUXIWJIHBVGPC-LRDDRELGSA-N -1 3 356.260 2.843 20 10 FFCDHM [O-]c1c(Br)cccc1CN[C@]1(CO)CCOc2ccccc21 ZINC000799344751 740410926 /nfs/dbraw/zinc/41/09/26/740410926.db2.gz ZTJPBQBRBRFLET-KRWDZBQOSA-N -1 3 364.239 2.915 20 10 FFCDHM O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cccc(O)c1[O-] ZINC000800661260 740541116 /nfs/dbraw/zinc/54/11/16/740541116.db2.gz QWHQWACTBPKYTD-LLVKDONJSA-N -1 3 368.158 2.863 20 10 FFCDHM COc1ccc(C(=O)NCc2cc(Br)ccc2O)c([O-])c1 ZINC000804736419 740901169 /nfs/dbraw/zinc/90/11/69/740901169.db2.gz RVOUMTZDFCUVBJ-UHFFFAOYSA-N -1 3 352.184 2.799 20 10 FFCDHM Nc1nc(NCc2cc(Cl)cc(Cl)c2[O-])cc(-n2cccn2)n1 ZINC000808089160 741184953 /nfs/dbraw/zinc/18/49/53/741184953.db2.gz IPYALGJCDZUTAS-UHFFFAOYSA-N -1 3 351.197 2.869 20 10 FFCDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000824849722 743163340 /nfs/dbraw/zinc/16/33/40/743163340.db2.gz HDQASBKWJPVOFB-CQSZACIVSA-N -1 3 372.259 2.697 20 10 FFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])CCC12CCC2 ZINC000826123862 743369675 /nfs/dbraw/zinc/36/96/75/743369675.db2.gz WFCVZTJCCFBIEK-UHFFFAOYSA-N -1 3 374.300 2.698 20 10 FFCDHM Cn1cc(-c2cc3c(nn2)CCN(Cc2cc(Cl)ccc2[O-])C3)cn1 ZINC000828104357 745027759 /nfs/dbraw/zinc/02/77/59/745027759.db2.gz PJFULQJMRKOABS-UHFFFAOYSA-N -1 3 355.829 2.794 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000832298277 745674119 /nfs/dbraw/zinc/67/41/19/745674119.db2.gz KQRRTEGAGVPFJS-OTYXRUKQSA-N -1 3 351.752 2.993 20 10 FFCDHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839889402 746954851 /nfs/dbraw/zinc/95/48/51/746954851.db2.gz FFJGYAIRLJCUBS-KGLIPLIRSA-N -1 3 354.472 2.708 20 10 FFCDHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(F)cc3F)C2)cc1 ZINC000849416867 749143540 /nfs/dbraw/zinc/14/35/40/749143540.db2.gz YGTBLHAQTBMBIZ-ZDUSSCGKSA-N -1 3 368.405 2.531 20 10 FFCDHM O=C([O-])c1ccccc1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC001595253829 949568408 /nfs/dbraw/zinc/56/84/08/949568408.db2.gz CNNIISZDTNCLSW-LJQANCHMSA-N -1 3 369.417 2.896 20 10 FFCDHM COC(=O)c1c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001593866829 955585167 /nfs/dbraw/zinc/58/51/67/955585167.db2.gz QOMWFYJYHRMSNS-WCQYABFASA-N -1 3 362.401 2.647 20 10 FFCDHM CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cccc1F ZINC001276032552 1013299194 /nfs/dbraw/zinc/29/91/94/1013299194.db2.gz XLXVKCXYCHTMOQ-HZPDHXFCSA-N -1 3 362.445 2.712 20 10 FFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(CN(CCn3ccnc3)C2)C1 ZINC001279676967 969045323 /nfs/dbraw/zinc/04/53/23/969045323.db2.gz TZRWGPJKJFFZBC-UHFFFAOYSA-N -1 3 367.280 2.713 20 10 FFCDHM CC(C)C[C@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899855227 977366646 /nfs/dbraw/zinc/36/66/46/977366646.db2.gz UXDCINHCTXVXBF-AEFFLSMTSA-N -1 3 363.502 2.609 20 10 FFCDHM COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000109179696 979638345 /nfs/dbraw/zinc/63/83/45/979638345.db2.gz WLEHILIMGWNZBL-CQSZACIVSA-N -1 3 356.422 2.728 20 10 FFCDHM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921621287 985478742 /nfs/dbraw/zinc/47/87/42/985478742.db2.gz MJLJLUXCILCCQN-XJKSGUPXSA-N -1 3 365.449 2.614 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCc3c(CC(N)=O)cccc3C2)c1[O-] ZINC000879230921 1015422123 /nfs/dbraw/zinc/42/21/23/1015422123.db2.gz SQSTVLPWOBSVCI-UHFFFAOYSA-N -1 3 372.852 2.834 20 10 FFCDHM COc1cccc(N2CC[C@H](NC(=O)NCc3c([O-])cccc3F)C2)c1 ZINC000916578572 989830735 /nfs/dbraw/zinc/83/07/35/989830735.db2.gz FADAZAZOBJIODI-ZDUSSCGKSA-N -1 3 359.401 2.618 20 10 FFCDHM O=C(NCCCN(C(=O)C1CCC1)C1CC1)NCc1c([O-])cccc1F ZINC000917648268 990255524 /nfs/dbraw/zinc/25/55/24/990255524.db2.gz JRGXDDJDSVYXDF-UHFFFAOYSA-N -1 3 363.433 2.512 20 10 FFCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2F)C[C@@H](C)O1 ZINC000917708014 990264377 /nfs/dbraw/zinc/26/43/77/990264377.db2.gz AXDBZIQATKWHSQ-CHWSQXEVSA-N -1 3 374.412 2.781 20 10 FFCDHM C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246012 994444611 /nfs/dbraw/zinc/44/46/11/994444611.db2.gz FZPQMFUWWPFORL-GLEZIHRCSA-N -1 3 355.312 2.892 20 10 FFCDHM COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001599122496 997764812 /nfs/dbraw/zinc/76/48/12/997764812.db2.gz LCMFOQMDMLWDPO-ZDUSSCGKSA-N -1 3 350.459 2.630 20 10 FFCDHM COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306888 998301191 /nfs/dbraw/zinc/30/11/91/998301191.db2.gz VRUQIGCREFWQRP-KOLCDFICSA-N -1 3 360.223 2.925 20 10 FFCDHM COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306890 998302253 /nfs/dbraw/zinc/30/22/53/998302253.db2.gz VRUQIGCREFWQRP-ONGXEEELSA-N -1 3 360.223 2.925 20 10 FFCDHM NC(=O)c1cc(Oc2cccc(NC(=O)c3cccc(O)c3[O-])c2)ccn1 ZINC001148218372 1001069663 /nfs/dbraw/zinc/06/96/63/1001069663.db2.gz ABUQOWPLAIVHTO-UHFFFAOYSA-N -1 3 365.345 2.636 20 10 FFCDHM CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1[O-] ZINC001148224599 1001075166 /nfs/dbraw/zinc/07/51/66/1001075166.db2.gz QMJHCLMHECIYBI-AWEZNQCLSA-N -1 3 363.797 2.655 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001148583120 1001174640 /nfs/dbraw/zinc/17/46/40/1001174640.db2.gz UKBZQFKTOLYTTO-HRAATJIYSA-N -1 3 369.417 2.982 20 10 FFCDHM O=C(Nc1nc2[nH]ccc2cc1Br)c1cc(O)c([O-])c(O)c1 ZINC001148583314 1001175374 /nfs/dbraw/zinc/17/53/74/1001175374.db2.gz XTNPLAWIFQRGMK-UHFFFAOYSA-N -1 3 364.155 2.646 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001148587273 1001176894 /nfs/dbraw/zinc/17/68/94/1001176894.db2.gz GLTWBQOBLXWYJH-RYUDHWBXSA-N -1 3 360.797 2.560 20 10 FFCDHM COC1(OC)CC(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001182474412 1001930399 /nfs/dbraw/zinc/93/03/99/1001930399.db2.gz WSAZXWGZVWMYED-UHFFFAOYSA-N -1 3 350.802 2.609 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C=CN=C2N=CC=C21 ZINC001183589658 1002322694 /nfs/dbraw/zinc/32/26/94/1002322694.db2.gz VBJTVUIEFNAOFE-LBPRGKRZSA-N -1 3 352.781 2.763 20 10 FFCDHM O=C(Cc1ccc(CO)cc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183693239 1002354808 /nfs/dbraw/zinc/35/48/08/1002354808.db2.gz GHVKITLENOOYAM-UHFFFAOYSA-N -1 3 356.809 2.945 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790927664 1002513394 /nfs/dbraw/zinc/51/33/94/1002513394.db2.gz MHJZVENDAICGSM-UHFFFAOYSA-N -1 3 364.442 2.865 20 10 FFCDHM CCO[C@@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237780132 1043352185 /nfs/dbraw/zinc/35/21/85/1043352185.db2.gz QAPOANSBQJSVCG-GFCCVEGCSA-N -1 3 361.223 2.998 20 10 FFCDHM O=C(Nc1ncc(O)cc1Br)c1ccc(O)c([O-])c1Cl ZINC001193219675 1004407371 /nfs/dbraw/zinc/40/73/71/1004407371.db2.gz LXIIPFMORRAVGM-UHFFFAOYSA-N -1 3 359.563 2.867 20 10 FFCDHM CCOc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cnn1 ZINC001194461468 1004731819 /nfs/dbraw/zinc/73/18/19/1004731819.db2.gz HZAIBPGZQBMUKZ-UHFFFAOYSA-N -1 3 358.785 2.713 20 10 FFCDHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(C)n1-c1ccccc1C ZINC000808258903 1004791766 /nfs/dbraw/zinc/79/17/66/1004791766.db2.gz ZZIPXYQOPALRNA-UHFFFAOYSA-N -1 3 352.438 2.788 20 10 FFCDHM CN(C)c1ccncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001199351913 1004908559 /nfs/dbraw/zinc/90/85/59/1004908559.db2.gz NOLQLGLMODOIOY-UHFFFAOYSA-N -1 3 356.813 2.985 20 10 FFCDHM CC(C)(C)OC(=O)N1CC(N(C(=O)c2cccc(O)c2[O-])C2CCC2)C1 ZINC000855534020 1007407934 /nfs/dbraw/zinc/40/79/34/1007407934.db2.gz XNDIWUFFPFAOIC-UHFFFAOYSA-N -1 3 362.426 2.712 20 10 FFCDHM CC(C)(C)OC(=O)C(C)(C)n1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000855581447 1007441663 /nfs/dbraw/zinc/44/16/63/1007441663.db2.gz AAPSYMWAARPHBZ-UHFFFAOYSA-N -1 3 361.398 2.623 20 10 FFCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000822268345 1008554161 /nfs/dbraw/zinc/55/41/61/1008554161.db2.gz AHCWPZNNFJQHDI-UHFFFAOYSA-N -1 3 358.413 2.569 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1=Cc2cccn2C1=O ZINC001177825316 1008744686 /nfs/dbraw/zinc/74/46/86/1008744686.db2.gz BAMSVNKHKRNLLW-UHFFFAOYSA-N -1 3 353.765 2.749 20 10 FFCDHM CC(=O)N1CCN(c2cccc(NC(=O)c3c(C)cccc3[O-])c2)CC1 ZINC000861174301 1009291905 /nfs/dbraw/zinc/29/19/05/1009291905.db2.gz CAEUUCIYQUPKSP-UHFFFAOYSA-N -1 3 353.422 2.621 20 10 FFCDHM CN(C)c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000119367464 1010150899 /nfs/dbraw/zinc/15/08/99/1010150899.db2.gz PQUVHZSYXISEBT-UHFFFAOYSA-N -1 3 357.429 2.555 20 10 FFCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(N)cc3[O-])cc2F)C[C@H](C)O1 ZINC000827364624 1017781271 /nfs/dbraw/zinc/78/12/71/1017781271.db2.gz JIVHVKJBJZVVIV-BETUJISGSA-N -1 3 373.428 2.657 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(CN2CCCC2=O)cc1 ZINC000929752596 1019627950 /nfs/dbraw/zinc/62/79/50/1019627950.db2.gz MJSOJAWORMVWBL-UHFFFAOYSA-N -1 3 357.385 2.975 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCc3nc[nH]c3C23CCOCC3)c1[O-] ZINC000931105459 1020323469 /nfs/dbraw/zinc/32/34/69/1020323469.db2.gz RXXCAOPDLFMHKK-UHFFFAOYSA-N -1 3 359.401 2.521 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CC[NH2+][C@H](C)C3)c1C2=O ZINC001218224593 1033058545 /nfs/dbraw/zinc/05/85/45/1033058545.db2.gz KLIAKBRXMGPPDK-YPMHNXCESA-N -1 3 367.401 2.701 20 10 FFCDHM COCC(=O)Nc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000756866005 1023761356 /nfs/dbraw/zinc/76/13/56/1023761356.db2.gz XADRFAXXRDKRBT-LBPRGKRZSA-N -1 3 358.394 2.937 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001121556554 1023847141 /nfs/dbraw/zinc/84/71/41/1023847141.db2.gz FKQNOJWPYHDJRQ-MNOVXSKESA-N -1 3 373.507 2.987 20 10 FFCDHM COC(=O)C[C@](C)(NCc1cc(F)cc(C(C)=O)c1[O-])c1ccccn1 ZINC000779470884 1023919607 /nfs/dbraw/zinc/91/96/07/1023919607.db2.gz CBLCUTIRGLUBDG-IBGZPJMESA-N -1 3 360.385 2.697 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001137835387 1033173641 /nfs/dbraw/zinc/17/36/41/1033173641.db2.gz GGYJQMCZINMBQT-UCLAIMLFSA-N -1 3 358.413 2.985 20 10 FFCDHM CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(Cc3c([O-])cccc3F)C2)C1 ZINC001137841761 1033187978 /nfs/dbraw/zinc/18/79/78/1033187978.db2.gz TUYPYGZEIUFMHV-LJQANCHMSA-N -1 3 366.433 2.743 20 10 FFCDHM O=C(CCC1CCCCC1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192988298 1024338012 /nfs/dbraw/zinc/33/80/12/1024338012.db2.gz ZTTUPMDFHLMYEY-UHFFFAOYSA-N -1 3 360.454 2.743 20 10 FFCDHM CN1C[C@@]2(F)CN(Cc3cccc(-c4ccccc4)c3[O-])C[C@@]2(F)C1=O ZINC001276860542 1033269127 /nfs/dbraw/zinc/26/91/27/1033269127.db2.gz IHGDYNIOAVSHSA-WOJBJXKFSA-N -1 3 358.388 2.763 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nnc2ccccn21 ZINC001155388318 1028715611 /nfs/dbraw/zinc/71/56/11/1028715611.db2.gz JQKSFJGUNUZCFZ-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM Cn1cc(CNc2ccc(C(=O)NCc3c([O-])cccc3F)cc2)cn1 ZINC001156177580 1029075882 /nfs/dbraw/zinc/07/58/82/1029075882.db2.gz KXEYVZYZDGOHFV-UHFFFAOYSA-N -1 3 354.385 2.807 20 10 FFCDHM CNC(=O)[C@H]1CC12CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001276944683 1033709985 /nfs/dbraw/zinc/70/99/85/1033709985.db2.gz VZTXHQUBTKRDBR-GFCCVEGCSA-N -1 3 371.250 2.642 20 10 FFCDHM COC(=O)c1ccc(CN2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138127507 1033811554 /nfs/dbraw/zinc/81/15/54/1033811554.db2.gz HDYXDGCAEUMJMO-UHFFFAOYSA-N -1 3 358.413 2.636 20 10 FFCDHM COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(F)c1[O-] ZINC001138130515 1033817718 /nfs/dbraw/zinc/81/77/18/1033817718.db2.gz BMAMSWURNSMIIO-GOSISDBHSA-N -1 3 372.440 2.781 20 10 FFCDHM CCOCCN1CC[C@@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967102 1033863296 /nfs/dbraw/zinc/86/32/96/1033863296.db2.gz CTWWYUZDYCBBNH-SFHVURJKSA-N -1 3 370.852 2.788 20 10 FFCDHM CCOCC(COCC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380060 1034659763 /nfs/dbraw/zinc/65/97/63/1034659763.db2.gz NANKBPQWLZSGHJ-UHFFFAOYSA-N -1 3 370.401 2.988 20 10 FFCDHM COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001139853842 1035255058 /nfs/dbraw/zinc/25/50/58/1035255058.db2.gz OTVJPWSKFLYANQ-UHFFFAOYSA-N -1 3 374.448 2.925 20 10 FFCDHM COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001139853842 1035255061 /nfs/dbraw/zinc/25/50/61/1035255061.db2.gz OTVJPWSKFLYANQ-UHFFFAOYSA-N -1 3 374.448 2.925 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CC[C@H]1O ZINC001140465549 1035485315 /nfs/dbraw/zinc/48/53/15/1035485315.db2.gz NNCHQCAQWQCMQY-ZIAGYGMSSA-N -1 3 356.850 2.506 20 10 FFCDHM COc1cc(O[C@H](C)C(C)=O)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393735 1035531449 /nfs/dbraw/zinc/53/14/49/1035531449.db2.gz WMTKKBSVEXPRCQ-LLVKDONJSA-N -1 3 354.358 2.841 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)C3CCC3)C2)cc1Cl ZINC001232271645 1035541674 /nfs/dbraw/zinc/54/16/74/1035541674.db2.gz YOBOKKUTRBOIMS-CQSZACIVSA-N -1 3 352.862 2.935 20 10 FFCDHM CC(C)CN1CC2(CN(Cc3ccc4ccccc4c3[O-])C2)OCC1=O ZINC001277222604 1035621931 /nfs/dbraw/zinc/62/19/31/1035621931.db2.gz JZXKKQQEZYVZNU-UHFFFAOYSA-N -1 3 354.450 2.615 20 10 FFCDHM CCCCN1CC2(CN(Cc3ccc4ccccc4c3[O-])C2)OCC1=O ZINC001277223238 1035628313 /nfs/dbraw/zinc/62/83/13/1035628313.db2.gz IPAVMLGSQBNBHL-UHFFFAOYSA-N -1 3 354.450 2.759 20 10 FFCDHM CCCCN1C[C@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232524 1035682130 /nfs/dbraw/zinc/68/21/30/1035682130.db2.gz SKMXPPAWNWMXFW-LJQANCHMSA-N -1 3 366.889 2.897 20 10 FFCDHM CC(C)[C@H]1COCCN1Cc1ccc(I)cc1[O-] ZINC001232977714 1036211362 /nfs/dbraw/zinc/21/13/62/1036211362.db2.gz JSSBIVYQLPMXRI-CYBMUJFWSA-N -1 3 361.223 2.854 20 10 FFCDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@](O)(CF)CC1 ZINC001233026939 1036265005 /nfs/dbraw/zinc/26/50/05/1036265005.db2.gz IMTQNAWLFHOJJP-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM COc1cc([O-])c(CN2CCOCC(F)(F)C2)cc1Br ZINC001233135575 1036386069 /nfs/dbraw/zinc/38/60/69/1036386069.db2.gz VKGBJRSQEVBQBS-UHFFFAOYSA-N -1 3 352.175 2.631 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1=O ZINC001233455126 1036633802 /nfs/dbraw/zinc/63/38/02/1036633802.db2.gz XJQJDHAORZZNIL-UHFFFAOYSA-N -1 3 374.359 2.990 20 10 FFCDHM COCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277387432 1036674426 /nfs/dbraw/zinc/67/44/26/1036674426.db2.gz JFWIFQPWIDOISE-HZPDHXFCSA-N -1 3 370.852 2.787 20 10 FFCDHM COc1c(O[C@H](C)C(C)=O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234133955 1036935226 /nfs/dbraw/zinc/93/52/26/1036935226.db2.gz UFLJAUGIZGVAFG-LLVKDONJSA-N -1 3 354.358 2.841 20 10 FFCDHM C[C@@H](C[N+](C)(C)C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234751648 1037169479 /nfs/dbraw/zinc/16/94/79/1037169479.db2.gz BRDKEIUQGWAUOG-JTQLQIEISA-O -1 3 360.386 2.537 20 10 FFCDHM O=C([O-])c1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001231449008 1037587361 /nfs/dbraw/zinc/58/73/61/1037587361.db2.gz CRBQONMSYVOINJ-LSDHHAIUSA-N -1 3 358.419 2.532 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c([O-])c1 ZINC001231451553 1037591881 /nfs/dbraw/zinc/59/18/81/1037591881.db2.gz NWDFOCBQYSRYRH-SFHVURJKSA-N -1 3 366.417 2.544 20 10 FFCDHM Cc1cc([O-])c(CN2CCn3cc(Cn4cccn4)nc3C2)cc1Cl ZINC001231865968 1037962003 /nfs/dbraw/zinc/96/20/03/1037962003.db2.gz AKNANDHFODBTKA-UHFFFAOYSA-N -1 3 357.845 2.811 20 10 FFCDHM COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231879880 1037975132 /nfs/dbraw/zinc/97/51/32/1037975132.db2.gz UJTPLDUDMWOVFT-WMLDXEAASA-N -1 3 369.339 2.586 20 10 FFCDHM O=C1N(C2COC2)CC[C@]12CCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277994796 1038179570 /nfs/dbraw/zinc/17/95/70/1038179570.db2.gz GGGVECNAVICKLQ-QGZVFWFLSA-N -1 3 371.264 2.665 20 10 FFCDHM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2[O-])O1 ZINC001236790229 1038271325 /nfs/dbraw/zinc/27/13/25/1038271325.db2.gz NETCUOUZJZYOTI-BPLDGKMQSA-N -1 3 359.253 2.519 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3nc(C)cc(C)n3)CC2)c(Cl)c1 ZINC001236799274 1038276590 /nfs/dbraw/zinc/27/65/90/1038276590.db2.gz LQFRSVIVBKRRKU-UHFFFAOYSA-N -1 3 362.861 2.783 20 10 FFCDHM COc1ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c([O-])c1Cl ZINC001236813097 1038288544 /nfs/dbraw/zinc/28/85/44/1038288544.db2.gz IXQZUSJZHVCRFW-SQWLQELKSA-N -1 3 353.846 2.680 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCNC[C@H]1C(F)(F)F ZINC001236980096 1038394850 /nfs/dbraw/zinc/39/48/50/1038394850.db2.gz HULKNVFPSGJJSX-JTQLQIEISA-N -1 3 357.145 2.630 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)C2)c(Br)c1 ZINC001237066280 1038431714 /nfs/dbraw/zinc/43/17/14/1038431714.db2.gz UHWBPUZGCJFZHI-LBPRGKRZSA-N -1 3 370.165 2.662 20 10 FFCDHM CC(=O)N1CCO[C@@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)CC[C@@H]2C1 ZINC001237079616 1038438624 /nfs/dbraw/zinc/43/86/24/1038438624.db2.gz MWCDIWCWMPNVTG-MLGOLLRUSA-N -1 3 373.280 2.768 20 10 FFCDHM COc1ccc(CN2CCC[C@H]3C[C@H]32)c([O-])c1I ZINC001248499020 1040301642 /nfs/dbraw/zinc/30/16/42/1040301642.db2.gz ZKWAARSIEOMRHH-GXSJLCMTSA-N -1 3 359.207 2.990 20 10 FFCDHM CCCCS(=O)(=O)Nc1ccc([O-])c(I)c1 ZINC001253849522 1040411208 /nfs/dbraw/zinc/41/12/08/1040411208.db2.gz XGFNTYXXNIXBFS-UHFFFAOYSA-N -1 3 355.197 2.539 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(Cc3cccnc3)c2)c1 ZINC001254729178 1040915723 /nfs/dbraw/zinc/91/57/23/1040915723.db2.gz DNTNAHHCGASAKV-ZDUSSCGKSA-N -1 3 352.394 2.992 20 10 FFCDHM COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(C)c(Br)cc1[O-] ZINC001250127065 1041122966 /nfs/dbraw/zinc/12/29/66/1041122966.db2.gz LQOSIDDAZQZUQK-PBWFPOADSA-N -1 3 356.260 2.841 20 10 FFCDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(C)c(Br)cc1[O-] ZINC001250135881 1041126608 /nfs/dbraw/zinc/12/66/08/1041126608.db2.gz ITUCPHUIQXFAOV-IFUGULHKSA-N -1 3 354.244 2.989 20 10 FFCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237677658 1043305714 /nfs/dbraw/zinc/30/57/14/1043305714.db2.gz AFCVLKSSPPWNAS-OAHLLOKOSA-N -1 3 370.243 2.560 20 10 FFCDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(I)c1[O-] ZINC001237776715 1043351159 /nfs/dbraw/zinc/35/11/59/1043351159.db2.gz KSRKEAASSFZVME-PHIMTYICSA-N -1 3 357.191 2.693 20 10 FFCDHM CC(C)(C)NC(=O)[C@@H]1CCSC12CN(Cc1c([O-])cccc1F)C2 ZINC001280006489 1044076831 /nfs/dbraw/zinc/07/68/31/1044076831.db2.gz DXLGUXYOUUQKSG-ZDUSSCGKSA-N -1 3 352.475 2.754 20 10 FFCDHM Cc1ccccc1C1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000738325663 1048679473 /nfs/dbraw/zinc/67/94/73/1048679473.db2.gz UGYIIFVEGXMRAA-UHFFFAOYSA-N -1 3 366.421 2.821 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001341902730 1050503629 /nfs/dbraw/zinc/50/36/29/1050503629.db2.gz SAHSJUJOJSBLNH-NEPJUHHUSA-N -1 3 371.466 2.660 20 10 FFCDHM CCOC(=O)c1cnn(C2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001308773532 1052497744 /nfs/dbraw/zinc/49/77/44/1052497744.db2.gz LFZCUJVOICLYHY-UHFFFAOYSA-N -1 3 365.380 2.881 20 10 FFCDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472697595 1059104477 /nfs/dbraw/zinc/10/44/77/1059104477.db2.gz MDEBTIPSWGPUFR-HNNXBMFYSA-N -1 3 366.377 2.750 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848226489 1059410093 /nfs/dbraw/zinc/41/00/93/1059410093.db2.gz UERIKCGVRZGLKN-CYBMUJFWSA-N -1 3 354.454 2.795 20 10 FFCDHM CN(C[C@H]1CCCOC1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001520149340 1059428344 /nfs/dbraw/zinc/42/83/44/1059428344.db2.gz SHFBRFMYYZEDIW-LLVKDONJSA-N -1 3 359.455 2.660 20 10 FFCDHM COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1[O-] ZINC001454262691 1059475175 /nfs/dbraw/zinc/47/51/75/1059475175.db2.gz KYPGYOWKCVHIQK-SFHVURJKSA-N -1 3 363.797 2.655 20 10 FFCDHM O=C(CNCc1cc(Br)cc(F)c1[O-])NC1CCCCC1 ZINC001461160225 1061230465 /nfs/dbraw/zinc/23/04/65/1061230465.db2.gz JICPLTVRZJRQNA-UHFFFAOYSA-N -1 3 359.239 2.832 20 10 FFCDHM CS(=O)(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)ccc1Cl ZINC001476425727 1061410461 /nfs/dbraw/zinc/41/04/61/1061410461.db2.gz GARSOJSVRLMRQJ-UHFFFAOYSA-N -1 3 372.805 2.910 20 10 FFCDHM CC1(C)Cc2cccc(S(=O)(=O)NCc3c([O-])cccc3F)c2O1 ZINC001464597714 1062706776 /nfs/dbraw/zinc/70/67/76/1062706776.db2.gz ORRIULXFWJZVGQ-UHFFFAOYSA-N -1 3 351.399 2.723 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCCC1 ZINC001556141256 1075706878 /nfs/dbraw/zinc/70/68/78/1075706878.db2.gz DXCYEGNBDGPIAY-LBPRGKRZSA-N -1 3 354.472 2.852 20 10 FFCDHM C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC001556730232 1075768876 /nfs/dbraw/zinc/76/88/76/1075768876.db2.gz JCARRLFWGXVTQE-BLLLJJGKSA-N -1 3 372.396 2.719 20 10 FFCDHM CC(C)(C)OC(=O)Nc1cnc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC001558454503 1076009344 /nfs/dbraw/zinc/00/93/44/1076009344.db2.gz HTRIYUIYWRBKCQ-UHFFFAOYSA-N -1 3 362.361 2.598 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC001558455115 1076009996 /nfs/dbraw/zinc/00/99/96/1076009996.db2.gz OWOPTHHIYKEWMP-UHFFFAOYSA-N -1 3 369.352 2.623 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001558456825 1076010058 /nfs/dbraw/zinc/01/00/58/1076010058.db2.gz FUPOZWRNBFDQLO-UHFFFAOYSA-N -1 3 362.313 2.531 20 10 FFCDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001589307172 1080475099 /nfs/dbraw/zinc/47/50/99/1080475099.db2.gz KMWACSAZYNQITL-UHFFFAOYSA-N -1 3 359.380 2.961 20 10 FFCDHM C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589977739 1080917087 /nfs/dbraw/zinc/91/70/87/1080917087.db2.gz HPSLBGMZPFBAMR-SCLBCKFNSA-N -1 3 357.458 2.962 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)CN(C(C)=O)C3)ccc1[N+](=O)[O-] ZINC000373208469 512221645 /nfs/dbraw/zinc/22/16/45/512221645.db2.gz GXZRNRRVUUCSKI-UHFFFAOYSA-N -1 3 357.366 2.783 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000369330263 512353276 /nfs/dbraw/zinc/35/32/76/512353276.db2.gz RHTCIZKUVXGCNR-GOSISDBHSA-N -1 3 364.467 2.726 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccnn1C ZINC000073714234 507947919 /nfs/dbraw/zinc/94/79/19/507947919.db2.gz VMUDIDTWJMMYIO-UHFFFAOYSA-N -1 3 367.247 2.620 20 10 FFCDHM CC(C)OCCOC[C@H](O)CN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092473495 508073464 /nfs/dbraw/zinc/07/34/64/508073464.db2.gz XRFYSPVBQWYYFN-CQSZACIVSA-N -1 3 366.285 2.933 20 10 FFCDHM CC(C)CC[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092762096 508100061 /nfs/dbraw/zinc/10/00/61/508100061.db2.gz OCSOFNUYHKZUJT-AWEZNQCLSA-N -1 3 354.472 2.805 20 10 FFCDHM O=C1CCCN1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093087842 508121028 /nfs/dbraw/zinc/12/10/28/508121028.db2.gz RHTWOTMSNPUBEH-UHFFFAOYSA-N -1 3 353.806 2.541 20 10 FFCDHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000093929800 508161576 /nfs/dbraw/zinc/16/15/76/508161576.db2.gz KFFSWRHLRPWQDQ-CYBMUJFWSA-N -1 3 362.451 2.905 20 10 FFCDHM O=C(CCc1cnccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373538548 512384807 /nfs/dbraw/zinc/38/48/07/512384807.db2.gz OJFBRCRYSKZWPK-KRWDZBQOSA-N -1 3 374.872 2.549 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(C)NC(=O)OC ZINC000121007658 509108091 /nfs/dbraw/zinc/10/80/91/509108091.db2.gz VTVSERUWKWGZAV-UHFFFAOYSA-N -1 3 373.247 2.638 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)CC(=O)OC ZINC000163031398 509332219 /nfs/dbraw/zinc/33/22/19/509332219.db2.gz NFRBXUQGSYFTLN-SNVBAGLBSA-N -1 3 358.232 2.702 20 10 FFCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163739039 509417884 /nfs/dbraw/zinc/41/78/84/509417884.db2.gz IERQAZCNPVENKX-UHFFFAOYSA-N -1 3 373.428 2.710 20 10 FFCDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc(OC)cc1 ZINC000267425956 509475175 /nfs/dbraw/zinc/47/51/75/509475175.db2.gz BHOVRIPTEJBWMN-KRWDZBQOSA-N -1 3 361.369 2.746 20 10 FFCDHM CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179677933 509570211 /nfs/dbraw/zinc/57/02/11/509570211.db2.gz ROMRBMDNAJRYDK-UHFFFAOYSA-N -1 3 360.907 2.648 20 10 FFCDHM C[C@H](NCc1nnc2n1CCCC2)c1ccc(Br)cc1[O-] ZINC000183856298 510009524 /nfs/dbraw/zinc/00/95/24/510009524.db2.gz FAMKFYFVERUPHW-JTQLQIEISA-N -1 3 351.248 2.933 20 10 FFCDHM Cc1cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[n-]c(=O)n1 ZINC000268619019 510038830 /nfs/dbraw/zinc/03/88/30/510038830.db2.gz COVXVAAPDKBGMR-UHFFFAOYSA-N -1 3 366.421 2.992 20 10 FFCDHM COc1cc(Cl)cc(CN2CCS(=O)(=O)c3ccccc3C2)c1[O-] ZINC000187688272 510388264 /nfs/dbraw/zinc/38/82/64/510388264.db2.gz FNROWLIILPEIFD-UHFFFAOYSA-N -1 3 367.854 2.844 20 10 FFCDHM CCO[C@H]1C[C@](NCc2cc(F)cc(C(C)=O)c2[O-])(C(=O)OC)C1(C)C ZINC000275529664 510902389 /nfs/dbraw/zinc/90/23/89/510902389.db2.gz KJJJUIYRKXVJMU-KXBFYZLASA-N -1 3 367.417 2.570 20 10 FFCDHM C[C@H]([C@@H]1CCCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277190459 510957278 /nfs/dbraw/zinc/95/72/78/510957278.db2.gz DAPPGUKPLWVQMB-ABAIWWIYSA-N -1 3 352.818 2.767 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000277321517 510960907 /nfs/dbraw/zinc/96/09/07/510960907.db2.gz UGEKCAUMVPHHKX-GDBMZVCRSA-N -1 3 364.829 2.767 20 10 FFCDHM CCN(CC)c1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000277512558 510964920 /nfs/dbraw/zinc/96/49/20/510964920.db2.gz YGOFWILMMGDINE-MRXNPFEDSA-N -1 3 350.459 2.807 20 10 FFCDHM COc1cccc([C@@H](NC(=O)c2ccc(C)c(O)c2[O-])c2nccn2C)c1 ZINC000360987157 510976204 /nfs/dbraw/zinc/97/62/04/510976204.db2.gz ZPDABCWQTNPAAT-MRXNPFEDSA-N -1 3 367.405 2.668 20 10 FFCDHM COc1c([O-])c(CNc2ccc(C(=O)N(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000278129623 510982057 /nfs/dbraw/zinc/98/20/57/510982057.db2.gz BYBJZSHLCAQUMS-UHFFFAOYSA-N -1 3 359.382 2.931 20 10 FFCDHM COc1c([O-])c(CNCc2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000278634135 511001432 /nfs/dbraw/zinc/00/14/32/511001432.db2.gz HDKDFJGMTWNHKV-UHFFFAOYSA-N -1 3 360.366 2.760 20 10 FFCDHM CS(=O)(=O)[C@H]1CCCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000278777561 511006094 /nfs/dbraw/zinc/00/60/94/511006094.db2.gz VIISOVHKECKEBV-ZDUSSCGKSA-N -1 3 362.289 2.554 20 10 FFCDHM COc1c([O-])c(CNc2ccc(N3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000278866597 511011327 /nfs/dbraw/zinc/01/13/27/511011327.db2.gz MMRCVRHHCJBZOP-UHFFFAOYSA-N -1 3 373.409 2.882 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279059810 511018293 /nfs/dbraw/zinc/01/82/93/511018293.db2.gz BUNIGEVGJHNQQO-UHFFFAOYSA-N -1 3 358.350 2.690 20 10 FFCDHM C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000282565681 511029153 /nfs/dbraw/zinc/02/91/53/511029153.db2.gz UQTLDONEXTVOEO-LBPRGKRZSA-N -1 3 354.472 2.805 20 10 FFCDHM C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162557 511042823 /nfs/dbraw/zinc/04/28/23/511042823.db2.gz BTTXNPXRCZGNKU-ZIAGYGMSSA-N -1 3 373.409 2.962 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CCCSC1 ZINC000287818977 511058327 /nfs/dbraw/zinc/05/83/27/511058327.db2.gz VJHUZKOMCRUDFF-LLVKDONJSA-N -1 3 354.859 2.953 20 10 FFCDHM CN(C)c1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000291669232 511290360 /nfs/dbraw/zinc/29/03/60/511290360.db2.gz WECGZKXFFMYUCZ-CYBMUJFWSA-N -1 3 361.383 2.782 20 10 FFCDHM CN(Cc1c([O-])cccc1Cl)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000280073015 511325328 /nfs/dbraw/zinc/32/53/28/511325328.db2.gz ZHUKNYKXEWSOEM-KBPBESRZSA-N -1 3 366.868 2.824 20 10 FFCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295469077 511415943 /nfs/dbraw/zinc/41/59/43/511415943.db2.gz WJTGPRHWPRPCRH-INIZCTEOSA-N -1 3 353.825 2.864 20 10 FFCDHM C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273301041 511522245 /nfs/dbraw/zinc/52/22/45/511522245.db2.gz BHEJUVILERWKKP-OAHLLOKOSA-N -1 3 371.437 2.983 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000273497007 511528949 /nfs/dbraw/zinc/52/89/49/511528949.db2.gz PHRUQWOBVNFBBS-LBPRGKRZSA-N -1 3 355.394 2.882 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccc(CO)c1 ZINC000366000157 511775850 /nfs/dbraw/zinc/77/58/50/511775850.db2.gz JYYLPTZPRHHOPK-GOSISDBHSA-N -1 3 374.868 2.932 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN([C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641013 511832978 /nfs/dbraw/zinc/83/29/78/511832978.db2.gz YCHOVOOLMTUUNR-MQNRADLISA-N -1 3 371.474 2.759 20 10 FFCDHM CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275122166 512048411 /nfs/dbraw/zinc/04/84/11/512048411.db2.gz MJEZTFFCAOJTRC-UHFFFAOYSA-N -1 3 362.455 2.579 20 10 FFCDHM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)nc1 ZINC000378043325 512561605 /nfs/dbraw/zinc/56/16/05/512561605.db2.gz IDTHUVSUWGNLCD-UHFFFAOYSA-N -1 3 369.421 2.601 20 10 FFCDHM COc1cc(N[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc(OC)c1 ZINC000376440984 512819501 /nfs/dbraw/zinc/81/95/01/512819501.db2.gz IBEBUXBVAZBCNG-ZDUSSCGKSA-N -1 3 372.421 2.832 20 10 FFCDHM C[C@@]1(Br)C[C@@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529391061 517120378 /nfs/dbraw/zinc/12/03/78/517120378.db2.gz XHAKZGPOPSWKTM-BXKDBHETSA-N -1 3 363.049 2.944 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[O-] ZINC000529679830 517281165 /nfs/dbraw/zinc/28/11/65/517281165.db2.gz QAZQVVDJNDEVEW-CKNLXJGOSA-N -1 3 358.301 2.949 20 10 FFCDHM O=C(NCCCSc1nccs1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738076459 599010999 /nfs/dbraw/zinc/01/09/99/599010999.db2.gz SNIDTAMJFVDWPM-UHFFFAOYSA-N -1 3 361.456 2.627 20 10 FFCDHM O=C(NCCCSc1nccs1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738076459 599011000 /nfs/dbraw/zinc/01/10/00/599011000.db2.gz SNIDTAMJFVDWPM-UHFFFAOYSA-N -1 3 361.456 2.627 20 10 FFCDHM Cc1cc(C(=O)N(C)C2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226507 599250090 /nfs/dbraw/zinc/25/00/90/599250090.db2.gz AYYDQWXIKGEROF-UHFFFAOYSA-N -1 3 350.426 2.899 20 10 FFCDHM CSCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737180579 599391746 /nfs/dbraw/zinc/39/17/46/599391746.db2.gz AKMBRLBTFYDHLJ-UHFFFAOYSA-N -1 3 370.482 2.757 20 10 FFCDHM COc1ccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737100256 599393359 /nfs/dbraw/zinc/39/33/59/599393359.db2.gz UXEZHSUCTCGPLH-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM COc1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737100256 599393362 /nfs/dbraw/zinc/39/33/62/599393362.db2.gz UXEZHSUCTCGPLH-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM COc1ccc(N2CCCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821831773 599487887 /nfs/dbraw/zinc/48/78/87/599487887.db2.gz MGGWZTUJJCRXST-UHFFFAOYSA-N -1 3 368.416 2.731 20 10 FFCDHM COc1ccc(N2CCCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821831773 599487888 /nfs/dbraw/zinc/48/78/88/599487888.db2.gz MGGWZTUJJCRXST-UHFFFAOYSA-N -1 3 368.416 2.731 20 10 FFCDHM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000833306824 601632267 /nfs/dbraw/zinc/63/22/67/601632267.db2.gz AEKWBLSGYXDSQK-ZWKOTPCHSA-N -1 3 357.406 2.623 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000079432496 728312963 /nfs/dbraw/zinc/31/29/63/728312963.db2.gz IEFBZCSVEGVBIC-AWEZNQCLSA-N -1 3 352.406 2.833 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000093913050 728478751 /nfs/dbraw/zinc/47/87/51/728478751.db2.gz DVEQNJAEYHQNOY-UHFFFAOYSA-N -1 3 360.435 2.569 20 10 FFCDHM O=C(CN1CCN(Cc2c([O-])cccc2Cl)CC1)NC1CCCCC1 ZINC000131292984 728721998 /nfs/dbraw/zinc/72/19/98/728721998.db2.gz UBBNQXZLXJWYSS-UHFFFAOYSA-N -1 3 365.905 2.612 20 10 FFCDHM C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000131635221 728722713 /nfs/dbraw/zinc/72/27/13/728722713.db2.gz SWVWYSQOQSYVJY-AWEZNQCLSA-N -1 3 365.905 2.611 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCN(CC(F)(F)F)CC1 ZINC000134088266 728728627 /nfs/dbraw/zinc/72/86/27/728728627.db2.gz ZHAPQRHGTGSHNN-UHFFFAOYSA-N -1 3 353.182 2.835 20 10 FFCDHM O=C(c1ccc(F)c(F)c1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778996339 738427873 /nfs/dbraw/zinc/42/78/73/738427873.db2.gz MCUVQEXCRYIISU-UHFFFAOYSA-N -1 3 350.340 2.768 20 10 FFCDHM COC(=O)CN(Cc1noc(C2CCC2)n1)Cc1cc(Cl)ccc1[O-] ZINC000859188775 730444640 /nfs/dbraw/zinc/44/46/40/730444640.db2.gz CNJURGOBGCBJHS-UHFFFAOYSA-N -1 3 365.817 2.871 20 10 FFCDHM C[C@H](CS(C)(=O)=O)N(Cc1c([O-])cccc1Br)C1CC1 ZINC000862245625 730681011 /nfs/dbraw/zinc/68/10/11/730681011.db2.gz UKBNFNSNEGEZQU-SNVBAGLBSA-N -1 3 362.289 2.552 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CCn2c(CC3CC3)nnc2C1 ZINC000862400749 730697332 /nfs/dbraw/zinc/69/73/32/730697332.db2.gz CIEZDHYNSQHYLE-UHFFFAOYSA-N -1 3 363.259 2.715 20 10 FFCDHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000872436239 731767120 /nfs/dbraw/zinc/76/71/20/731767120.db2.gz WFVSSEMOMFWSJD-QHCPKHFHSA-N -1 3 373.544 2.518 20 10 FFCDHM C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1c([O-])cccc1F ZINC000886618954 733810079 /nfs/dbraw/zinc/81/00/79/733810079.db2.gz PFKWLFFBXUVIBE-GFCCVEGCSA-N -1 3 352.431 2.632 20 10 FFCDHM CN1CCC2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)C1=O ZINC000894576580 734882033 /nfs/dbraw/zinc/88/20/33/734882033.db2.gz WIBOPSLPJNHSBA-UHFFFAOYSA-N -1 3 371.250 2.738 20 10 FFCDHM COCc1ncc2c(n1)CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000895416880 735003699 /nfs/dbraw/zinc/00/36/99/735003699.db2.gz FVVBYRCALAFPAO-UHFFFAOYSA-N -1 3 364.243 2.649 20 10 FFCDHM COC(=O)c1cnc([C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC000896971305 735190164 /nfs/dbraw/zinc/19/01/64/735190164.db2.gz OXLLQTGXNMQCSU-SNVBAGLBSA-N -1 3 354.378 2.903 20 10 FFCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000752094600 735956613 /nfs/dbraw/zinc/95/66/13/735956613.db2.gz RPWHTULXRYDWBB-DLBZAZTESA-N -1 3 350.434 2.955 20 10 FFCDHM O=C(Cn1cnc2c1CCCC2)NCc1cccc(Br)c1[O-] ZINC000765756959 737155030 /nfs/dbraw/zinc/15/50/30/737155030.db2.gz PCZPOJFWQINDJY-UHFFFAOYSA-N -1 3 364.243 2.546 20 10 FFCDHM CCOC(=O)[C@H]1CSCCN1Cc1cc(Br)ccc1[O-] ZINC000768231258 737407811 /nfs/dbraw/zinc/40/78/11/737407811.db2.gz VNUUOMPOFWNAEA-GFCCVEGCSA-N -1 3 360.273 2.635 20 10 FFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@H]2CCCC[C@@H]21 ZINC000769411795 737525794 /nfs/dbraw/zinc/52/57/94/737525794.db2.gz KYKVNUVDSKRPBB-ZFWWWQNUSA-N -1 3 374.300 2.696 20 10 FFCDHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1c([O-])cccc1F ZINC000928710890 738898567 /nfs/dbraw/zinc/89/85/67/738898567.db2.gz XDEXFJLUAAPKPD-OAHLLOKOSA-N -1 3 350.415 2.664 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CCC(Oc2cnccn2)CC1 ZINC000787296306 739124076 /nfs/dbraw/zinc/12/40/76/739124076.db2.gz QXXINPFHPWVPHE-UHFFFAOYSA-N -1 3 364.243 2.988 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2ccc(S(N)(=O)=O)cc2)c1 ZINC000787788883 739170580 /nfs/dbraw/zinc/17/05/80/739170580.db2.gz VLSXZEFBEWLAKK-UHFFFAOYSA-N -1 3 371.256 2.723 20 10 FFCDHM C[C@@H]1OCC[C@]12CN(Cc1cc(Br)ccc1[O-])C[C@@H](C)O2 ZINC000790932277 739515569 /nfs/dbraw/zinc/51/55/69/739515569.db2.gz NFIJIWYVKZLOJY-WQGACYEGSA-N -1 3 356.260 2.923 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CNC2(c3ncccn3)CCOCC2)c1[O-] ZINC000933344203 739607551 /nfs/dbraw/zinc/60/75/51/739607551.db2.gz YHPUYKQFXHSZLE-UHFFFAOYSA-N -1 3 361.829 2.834 20 10 FFCDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1ccc(OC)c(O)c1 ZINC000792180600 739647654 /nfs/dbraw/zinc/64/76/54/739647654.db2.gz LYABXFZWZWPOEA-INIZCTEOSA-N -1 3 351.786 2.764 20 10 FFCDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000795351347 740008416 /nfs/dbraw/zinc/00/84/16/740008416.db2.gz CPHFEGIBYLJJQS-UHFFFAOYSA-N -1 3 363.435 2.861 20 10 FFCDHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1C ZINC000796455517 740144886 /nfs/dbraw/zinc/14/48/86/740144886.db2.gz MHJPSBLBLAYHDW-UPJWGTAASA-N -1 3 354.472 2.566 20 10 FFCDHM COc1cc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)ccc1O ZINC000797820103 740275835 /nfs/dbraw/zinc/27/58/35/740275835.db2.gz GMCOUNZDPAYFBA-UHFFFAOYSA-N -1 3 353.396 2.527 20 10 FFCDHM O=C(Nc1nncs1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000809734016 741337880 /nfs/dbraw/zinc/33/78/80/741337880.db2.gz QRSIAAHTNPIGFT-UHFFFAOYSA-N -1 3 370.837 2.887 20 10 FFCDHM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812419180 741619480 /nfs/dbraw/zinc/61/94/80/741619480.db2.gz IJAMHXCDKABWAK-STQMWFEESA-N -1 3 370.471 2.594 20 10 FFCDHM CCN(CC)C(=O)CN1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816485017 742033347 /nfs/dbraw/zinc/03/33/47/742033347.db2.gz WPMJJGYMONDQKL-UHFFFAOYSA-N -1 3 371.884 2.561 20 10 FFCDHM COc1ccc(CCNC(=O)c2cccc(O)c2[O-])c(Cl)c1OC ZINC000817946953 742223701 /nfs/dbraw/zinc/22/37/01/742223701.db2.gz QBSBIQARQYWDGP-UHFFFAOYSA-N -1 3 351.786 2.741 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631654 742287141 /nfs/dbraw/zinc/28/71/41/742287141.db2.gz MGKSQKYITPCVAD-NOZJJQNGSA-N -1 3 358.232 2.848 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631654 742287143 /nfs/dbraw/zinc/28/71/43/742287143.db2.gz MGKSQKYITPCVAD-NOZJJQNGSA-N -1 3 358.232 2.848 20 10 FFCDHM C[C@H](CS(C)(=O)=O)N(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824809439 743153407 /nfs/dbraw/zinc/15/34/07/743153407.db2.gz VBPCBAOZUIXZPE-SNVBAGLBSA-N -1 3 362.289 2.552 20 10 FFCDHM CCN(Cc1ccc(Br)cc1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000824814114 743154122 /nfs/dbraw/zinc/15/41/22/743154122.db2.gz LWBKAYZDEBAECZ-NSHDSACASA-N -1 3 364.305 2.800 20 10 FFCDHM CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000824914317 743177696 /nfs/dbraw/zinc/17/76/96/743177696.db2.gz PEYKGOGOZGBOGE-ZDUSSCGKSA-N -1 3 362.289 2.554 20 10 FFCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000825900748 743340856 /nfs/dbraw/zinc/34/08/56/743340856.db2.gz PWQBUTZUULSKKC-ZWNOBZJWSA-N -1 3 362.289 2.552 20 10 FFCDHM C[C@@H](NCc1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834882705 745918491 /nfs/dbraw/zinc/91/84/91/745918491.db2.gz CYKBARUSNRNYAM-LLVKDONJSA-N -1 3 350.396 2.555 20 10 FFCDHM CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000848918595 749034026 /nfs/dbraw/zinc/03/40/26/749034026.db2.gz FEHHFLLPHIMSPD-OAHLLOKOSA-N -1 3 367.833 2.690 20 10 FFCDHM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Cl)cc1[O-] ZINC001275892860 1013149552 /nfs/dbraw/zinc/14/95/52/1013149552.db2.gz LIQWLEKJDOBHNH-DJJJIMSYSA-N -1 3 364.873 2.980 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(O)c1[O-])C2 ZINC000890754369 960301938 /nfs/dbraw/zinc/30/19/38/960301938.db2.gz QLBWREALVVHULC-AVGNSLFASA-N -1 3 362.426 2.616 20 10 FFCDHM Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1Cl ZINC001176018980 1013611548 /nfs/dbraw/zinc/61/15/48/1013611548.db2.gz FQDVXYACFHHDDK-UHFFFAOYSA-N -1 3 367.858 2.560 20 10 FFCDHM CO[C@@H]1C[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])Cc3cccnc3N2C1 ZINC000895439579 970618011 /nfs/dbraw/zinc/61/80/11/970618011.db2.gz DHQJURMKEFNITF-HZPDHXFCSA-N -1 3 361.392 2.675 20 10 FFCDHM CCN(C(=O)[C@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2)C(C)C ZINC001271158654 970634195 /nfs/dbraw/zinc/63/41/95/970634195.db2.gz MUVZOCPCTIMUFA-OAHLLOKOSA-N -1 3 360.454 2.597 20 10 FFCDHM CC[C@@H](C)N1CC[C@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271433872 972993243 /nfs/dbraw/zinc/99/32/43/972993243.db2.gz PHIWZYPVPILTTI-JLTOFOAXSA-N -1 3 360.454 2.741 20 10 FFCDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1c1ccccc1 ZINC000923962386 982134838 /nfs/dbraw/zinc/13/48/38/982134838.db2.gz ZQKYLXPQTDGWJZ-SCLBCKFNSA-N -1 3 374.462 2.987 20 10 FFCDHM O=c1[n-]c(CN2CCCc3cc(OC(F)F)ccc32)nc2c1COCC2 ZINC000878215730 1014921317 /nfs/dbraw/zinc/92/13/17/1014921317.db2.gz GZYHYSZDYMQOSU-UHFFFAOYSA-N -1 3 363.364 2.809 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000914363815 987457019 /nfs/dbraw/zinc/45/70/19/987457019.db2.gz JQROMJQQGMCNFB-CYBMUJFWSA-N -1 3 361.392 2.996 20 10 FFCDHM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2F)C[C@H](C)O1 ZINC000917708017 990264289 /nfs/dbraw/zinc/26/42/89/990264289.db2.gz AXDBZIQATKWHSQ-STQMWFEESA-N -1 3 374.412 2.781 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(N2CCNC2=O)cc1 ZINC000923030037 990803587 /nfs/dbraw/zinc/80/35/87/990803587.db2.gz KIRXHPXBDNCFKF-LBPRGKRZSA-N -1 3 372.400 2.621 20 10 FFCDHM COc1ccccc1N1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921425635 991082720 /nfs/dbraw/zinc/08/27/20/991082720.db2.gz LGACUPMQKFRJFC-ZDUSSCGKSA-N -1 3 359.401 2.618 20 10 FFCDHM C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593298810 994717060 /nfs/dbraw/zinc/71/70/60/994717060.db2.gz MWHPTAFRMFWBEA-MRXNPFEDSA-N -1 3 370.449 2.837 20 10 FFCDHM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cccc(O)c2[O-])o1 ZINC001136859825 996896435 /nfs/dbraw/zinc/89/64/35/996896435.db2.gz DSJCDQQNBQDOPK-HNNXBMFYSA-N -1 3 351.362 2.729 20 10 FFCDHM O=C(NCc1cc(OC(F)(F)F)ccc1F)c1cc(O)c([O-])c(O)c1 ZINC001148590202 1001177019 /nfs/dbraw/zinc/17/70/19/1001177019.db2.gz YXPNRVSCPYFJRR-UHFFFAOYSA-N -1 3 361.247 2.771 20 10 FFCDHM O=C(NCCc1cc(Br)cs1)c1cc(O)c([O-])c(O)c1 ZINC001148591091 1001178275 /nfs/dbraw/zinc/17/82/75/1001178275.db2.gz UIGRUQLUMMBLKR-UHFFFAOYSA-N -1 3 358.213 2.600 20 10 FFCDHM COc1ccccc1[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCCC1 ZINC000789944265 1002236349 /nfs/dbraw/zinc/23/63/49/1002236349.db2.gz OYHNPCNZEDKHJC-OAHLLOKOSA-N -1 3 374.412 2.812 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000790912920 1002518057 /nfs/dbraw/zinc/51/80/57/1002518057.db2.gz YNNQRJMJRCHRBP-UHFFFAOYSA-N -1 3 353.374 2.799 20 10 FFCDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(Br)ccc1[O-] ZINC001203645721 1003422925 /nfs/dbraw/zinc/42/29/25/1003422925.db2.gz NJCGURHJNWUMAC-JTQLQIEISA-N -1 3 350.159 2.537 20 10 FFCDHM CC(C)n1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cnc1=O ZINC001199250258 1004884017 /nfs/dbraw/zinc/88/40/17/1004884017.db2.gz AAZNRZCDDMZSCV-UHFFFAOYSA-N -1 3 372.812 2.661 20 10 FFCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1N1CCCCC1=O ZINC000776333174 1005368288 /nfs/dbraw/zinc/36/82/88/1005368288.db2.gz MLRYYWRKNUPLDF-UHFFFAOYSA-N -1 3 356.378 2.876 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C)cc1[O-] ZINC001152400605 1032159463 /nfs/dbraw/zinc/15/94/63/1032159463.db2.gz CIDOGVMCERROOF-UHFFFAOYSA-N -1 3 363.797 2.875 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000855039032 1007078897 /nfs/dbraw/zinc/07/88/97/1007078897.db2.gz FAFAPVYTPPEVHQ-KGLIPLIRSA-N -1 3 362.426 2.664 20 10 FFCDHM Cc1cccc([O-])c1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC000859515633 1008537838 /nfs/dbraw/zinc/53/78/38/1008537838.db2.gz VQCSICWQBJGMLP-UHFFFAOYSA-N -1 3 353.422 2.655 20 10 FFCDHM O=C(CNC(=O)c1ccccc1C(F)(F)F)NCc1c([O-])cccc1F ZINC001178413015 1008984721 /nfs/dbraw/zinc/98/47/21/1008984721.db2.gz KNYGZKFDRPZPKG-UHFFFAOYSA-N -1 3 370.302 2.596 20 10 FFCDHM C[C@@](O)(CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001179815055 1009460593 /nfs/dbraw/zinc/46/05/93/1009460593.db2.gz NHNMPGGNHANSML-CQSZACIVSA-N -1 3 362.735 2.913 20 10 FFCDHM CN(C)c1cc(F)c(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000864505175 1010488332 /nfs/dbraw/zinc/48/83/32/1010488332.db2.gz CCZNZAKPPOVHBN-QGZVFWFLSA-N -1 3 368.355 2.792 20 10 FFCDHM O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1c([O-])cccc1F ZINC000928712046 1019086450 /nfs/dbraw/zinc/08/64/50/1019086450.db2.gz NMMAQPYIKYOJLM-INIZCTEOSA-N -1 3 358.369 2.731 20 10 FFCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc(C)n1 ZINC000755529707 1023606962 /nfs/dbraw/zinc/60/69/62/1023606962.db2.gz IXUKQPPTWOUXCR-MRXNPFEDSA-N -1 3 374.872 2.847 20 10 FFCDHM CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756481237 1023717168 /nfs/dbraw/zinc/71/71/68/1023717168.db2.gz WDPSBUQPDXVGML-CQSZACIVSA-N -1 3 357.410 3.000 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cccc(O)c1[O-] ZINC000193062694 1024369631 /nfs/dbraw/zinc/36/96/31/1024369631.db2.gz QDVGOACCRSVDCY-GFCCVEGCSA-N -1 3 362.376 2.770 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000194813716 1024901824 /nfs/dbraw/zinc/90/18/24/1024901824.db2.gz SHMGCLOQCVPXDN-UHFFFAOYSA-N -1 3 366.421 2.738 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc2ccnn2c1 ZINC001153057933 1027760177 /nfs/dbraw/zinc/76/01/77/1027760177.db2.gz DHAOWIKONBTPPH-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM Cc1nc(NCc2cc(Cl)c3cccnc3c2[O-])cc(-n2cncn2)n1 ZINC001157727335 1029652198 /nfs/dbraw/zinc/65/21/98/1029652198.db2.gz JZIIUVGKFBZNRO-UHFFFAOYSA-N -1 3 367.800 2.885 20 10 FFCDHM O=C(/C=C\c1ccc(O)c(O)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000784285877 1030553648 /nfs/dbraw/zinc/55/36/48/1030553648.db2.gz GJMSXHIALPAWAH-VURMDHGXSA-N -1 3 354.318 2.610 20 10 FFCDHM O=C1NC2(C[C@@H]1c1ccncc1)CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517252 1030565503 /nfs/dbraw/zinc/56/55/03/1030565503.db2.gz GPLARDVFHWTGJM-OAHLLOKOSA-N -1 3 373.403 2.704 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203648280 1030803397 /nfs/dbraw/zinc/80/33/97/1030803397.db2.gz HYDPLDRPMHNELO-UONOGXRCSA-N -1 3 356.850 2.506 20 10 FFCDHM CN(C(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC001203664602 1030813454 /nfs/dbraw/zinc/81/34/54/1030813454.db2.gz MQVDQMKWYCXKRW-UHFFFAOYSA-N -1 3 373.884 2.826 20 10 FFCDHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC001142796357 1030889475 /nfs/dbraw/zinc/88/94/75/1030889475.db2.gz XHXLYPJPFZFBEO-CQSZACIVSA-N -1 3 358.419 2.560 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC000830572231 1033687921 /nfs/dbraw/zinc/68/79/21/1033687921.db2.gz XVOCOTVSEFTDTE-KBPBESRZSA-N -1 3 362.426 2.712 20 10 FFCDHM COCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276949339 1033730704 /nfs/dbraw/zinc/73/07/04/1033730704.db2.gz RDZIVCBMVDPOHJ-IBGZPJMESA-N -1 3 368.424 2.664 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC[C@H]1C(=O)N1CCCC1 ZINC001139129062 1034958721 /nfs/dbraw/zinc/95/87/21/1034958721.db2.gz NAIRMMHMMGRVOA-KRWDZBQOSA-N -1 3 370.449 2.784 20 10 FFCDHM O=C1NC2(C[C@H]1c1cccnc1)CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139683297 1035197103 /nfs/dbraw/zinc/19/71/03/1035197103.db2.gz HCPWFIJWMCPGOK-AWEZNQCLSA-N -1 3 373.403 2.704 20 10 FFCDHM CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1Cc1cc(F)ccc1[O-] ZINC001140063169 1035327721 /nfs/dbraw/zinc/32/77/21/1035327721.db2.gz MEIDQGSMONFZBM-KRWDZBQOSA-N -1 3 360.433 2.544 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140465674 1035485714 /nfs/dbraw/zinc/48/57/14/1035485714.db2.gz QQCDAWRLENPYDP-AWEZNQCLSA-N -1 3 356.850 2.771 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2c1cnn2C ZINC001232257352 1035528180 /nfs/dbraw/zinc/52/81/80/1035528180.db2.gz CPIVUNXZZKHEJJ-GFCCVEGCSA-N -1 3 351.834 2.621 20 10 FFCDHM CCCCN1C[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277231921 1035674855 /nfs/dbraw/zinc/67/48/55/1035674855.db2.gz HVQHQQPHRSNDHB-SFHVURJKSA-N -1 3 352.862 2.649 20 10 FFCDHM Cn1cncc1CN1CC[C@@]2(CCCN2Cc2cccc(Cl)c2[O-])C1=O ZINC001277232094 1035676251 /nfs/dbraw/zinc/67/62/51/1035676251.db2.gz KJMXPETUVFKESP-IBGZPJMESA-N -1 3 374.872 2.546 20 10 FFCDHM CC1=C(Oc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)C(=O)O[C@H]1C ZINC001228215949 1035996516 /nfs/dbraw/zinc/99/65/16/1035996516.db2.gz BWHKVJUUQDAWAT-JTQLQIEISA-N -1 3 350.326 2.766 20 10 FFCDHM [O-]c1c(CN2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)ccc(F)c1F ZINC001233074916 1036319920 /nfs/dbraw/zinc/31/99/20/1036319920.db2.gz OMGDOKRILXYNCN-WMLDXEAASA-N -1 3 364.392 2.596 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001233333788 1036540499 /nfs/dbraw/zinc/54/04/99/1036540499.db2.gz HXMZRRYRLADXCV-YJYMSZOUSA-N -1 3 362.376 2.593 20 10 FFCDHM O=C(Cc1ccccc1)N1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335920 1036541012 /nfs/dbraw/zinc/54/10/12/1036541012.db2.gz RFQLFYAXSJVDRB-UHFFFAOYSA-N -1 3 360.404 2.947 20 10 FFCDHM CCN(CC)C[C@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229198009 1036549341 /nfs/dbraw/zinc/54/93/41/1036549341.db2.gz SYXWXNJLNNHTKB-LBPRGKRZSA-N -1 3 369.417 2.982 20 10 FFCDHM O=C(N1CCCC1)C12CC(C1)CN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417589 1036610435 /nfs/dbraw/zinc/61/04/35/1036610435.db2.gz ZYQJCVNWVWTBLM-UHFFFAOYSA-N -1 3 354.372 2.998 20 10 FFCDHM C[C@H]1OCC[C@H]1COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234747518 1037164861 /nfs/dbraw/zinc/16/48/61/1037164861.db2.gz SSFHPHLKSBAMLT-ZJUUUORDSA-N -1 3 358.346 2.867 20 10 FFCDHM CN1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)[C@H]1c1ccc(F)cc1 ZINC001230458900 1037286893 /nfs/dbraw/zinc/28/68/93/1037286893.db2.gz UUORFWYFJOPWBH-SJLPKXTDSA-N -1 3 361.392 2.915 20 10 FFCDHM COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300907 1037461799 /nfs/dbraw/zinc/46/17/99/1037461799.db2.gz AVJLJUIWBOUHOI-GXSJLCMTSA-N -1 3 360.223 2.925 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231449195 1037588964 /nfs/dbraw/zinc/58/89/64/1037588964.db2.gz GMNARMPSNDSKLD-KKUMJFAQSA-N -1 3 362.426 2.578 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231449195 1037588970 /nfs/dbraw/zinc/58/89/70/1037588970.db2.gz GMNARMPSNDSKLD-KKUMJFAQSA-N -1 3 362.426 2.578 20 10 FFCDHM COC(=O)[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001231567176 1037692647 /nfs/dbraw/zinc/69/26/47/1037692647.db2.gz WIIBLIMFNVDCRZ-SJORKVTESA-N -1 3 373.380 2.618 20 10 FFCDHM COC(=O)[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001231567176 1037692655 /nfs/dbraw/zinc/69/26/55/1037692655.db2.gz WIIBLIMFNVDCRZ-SJORKVTESA-N -1 3 373.380 2.618 20 10 FFCDHM COc1cc([O-])c(CN2CC3(C2)CC(F)(F)CO3)c(Br)c1 ZINC001237069586 1038433767 /nfs/dbraw/zinc/43/37/67/1038433767.db2.gz HKNJXCSHZVGPTH-UHFFFAOYSA-N -1 3 364.186 2.773 20 10 FFCDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)C1CCOCC1 ZINC001237125810 1038450438 /nfs/dbraw/zinc/45/04/38/1038450438.db2.gz FOSKRSGWXIAPAZ-UHFFFAOYSA-N -1 3 370.852 2.692 20 10 FFCDHM O=C(c1cc(O)c([O-])c(Cl)c1)N1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001279074771 1039174935 /nfs/dbraw/zinc/17/49/35/1039174935.db2.gz YVHVVVSLSXOINS-GJZGRUSLSA-N -1 3 361.829 2.568 20 10 FFCDHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073583 1040979879 /nfs/dbraw/zinc/97/98/79/1040979879.db2.gz ZTIBRAAUJFEPCZ-UHFFFAOYSA-N -1 3 366.830 2.739 20 10 FFCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250129125 1041124476 /nfs/dbraw/zinc/12/44/76/1041124476.db2.gz YKOQUXHXAQIUMR-OAHLLOKOSA-N -1 3 370.243 2.560 20 10 FFCDHM COC1(CC(=O)N2C[C@H]3C[C@@H](C2)N3Cc2ccc(Cl)cc2[O-])CCC1 ZINC001278553597 1041128292 /nfs/dbraw/zinc/12/82/92/1041128292.db2.gz DKEDVXRHYAAFMJ-IYBDPMFKSA-N -1 3 364.873 2.790 20 10 FFCDHM CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cc(F)cc1F ZINC001278606333 1041397708 /nfs/dbraw/zinc/39/77/08/1041397708.db2.gz WBAXRDHVBKVJEA-AGUYFDCRSA-N -1 3 353.413 2.873 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CN(Cc4ccc[nH]4)C3)CC2)c1 ZINC001279282458 1042982273 /nfs/dbraw/zinc/98/22/73/1042982273.db2.gz KTILUGUKACHDGJ-UHFFFAOYSA-N -1 3 355.438 2.517 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@@H](CO)CC(F)(F)C2)cc1Br ZINC001237675769 1043303971 /nfs/dbraw/zinc/30/39/71/1043303971.db2.gz AQHNLHJOGFKRFA-JTQLQIEISA-N -1 3 350.203 2.913 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)C3CC3)CC2)cc1Br ZINC001237679943 1043306871 /nfs/dbraw/zinc/30/68/71/1043306871.db2.gz XEOHRUOJRICVHS-UHFFFAOYSA-N -1 3 353.260 2.517 20 10 FFCDHM CO[C@H]1CCN(Cc2cccc(I)c2[O-])[C@@H](C)C1 ZINC001237784987 1043356009 /nfs/dbraw/zinc/35/60/09/1043356009.db2.gz BTMZMDUXMVMXQK-JQWIXIFHSA-N -1 3 361.223 2.996 20 10 FFCDHM COc1ccc(CN2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1Cl ZINC001279665354 1043430330 /nfs/dbraw/zinc/43/03/30/1043430330.db2.gz JELBNIZDSAJPKN-GXTWGEPZSA-N -1 3 367.877 2.678 20 10 FFCDHM Cc1noc(C[C@@H]2C[C@H]3CN(Cc4cc(F)c(Cl)cc4[O-])C[C@H]3O2)n1 ZINC001237936536 1043443975 /nfs/dbraw/zinc/44/39/75/1043443975.db2.gz JBPPSWRBCQAEFR-MQIPJXDCSA-N -1 3 367.808 2.708 20 10 FFCDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001309594643 1043448252 /nfs/dbraw/zinc/44/82/52/1043448252.db2.gz GAJYBLBYGOHHPE-ZDUSSCGKSA-N -1 3 367.540 2.989 20 10 FFCDHM O=S(=O)([N-]Cc1cc(Cl)ccc1O)c1cc(F)c(F)c(F)c1 ZINC001309654018 1043470318 /nfs/dbraw/zinc/47/03/18/1043470318.db2.gz HNKMJPHRLYDTEB-UHFFFAOYSA-N -1 3 351.733 2.941 20 10 FFCDHM O=C(NCc1ncc(Br)s1)NCc1c([O-])cccc1F ZINC001313196801 1044268708 /nfs/dbraw/zinc/26/87/08/1044268708.db2.gz FURPLOQQWBAUJF-UHFFFAOYSA-N -1 3 360.208 2.750 20 10 FFCDHM COC(=O)C1(C2(O)CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)CCC1 ZINC001334356549 1049387504 /nfs/dbraw/zinc/38/75/04/1049387504.db2.gz NRHMSUYOFRQLBQ-UHFFFAOYSA-N -1 3 371.836 2.855 20 10 FFCDHM CN1CCN(c2ccc(NCc3cc(Cl)cc(F)c3[O-])nc2)CC1 ZINC001308214518 1052432800 /nfs/dbraw/zinc/43/28/00/1052432800.db2.gz SSXDLWLAFVWJPQ-UHFFFAOYSA-N -1 3 350.825 2.944 20 10 FFCDHM CCCNC(=O)[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])c2ccccc2O1 ZINC001308707496 1052489341 /nfs/dbraw/zinc/48/93/41/1052489341.db2.gz UWZMQAVMPNUWOR-SFHVURJKSA-N -1 3 362.376 2.964 20 10 FFCDHM COC(=O)c1cnc([C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)s1 ZINC001308962436 1052526631 /nfs/dbraw/zinc/52/66/31/1052526631.db2.gz JGZMMOLDSGJBMX-SECBINFHSA-N -1 3 354.378 2.903 20 10 FFCDHM CC(C)[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CCO1 ZINC001355801477 1060603808 /nfs/dbraw/zinc/60/38/08/1060603808.db2.gz QGXKOPTYEYIYBX-GFCCVEGCSA-N -1 3 359.455 2.659 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1[O-] ZINC001460889858 1061139972 /nfs/dbraw/zinc/13/99/72/1061139972.db2.gz MAZHNLXKLFBUMY-KDURUIRLSA-N -1 3 367.873 2.595 20 10 FFCDHM O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1c([O-])cccc1F ZINC001471975633 1064876691 /nfs/dbraw/zinc/87/66/91/1064876691.db2.gz APFPGVALYYOMPF-UHFFFAOYSA-N -1 3 351.765 2.623 20 10 FFCDHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1O ZINC001580307066 1078784547 /nfs/dbraw/zinc/78/45/47/1078784547.db2.gz GKTFWVVYCFGJFL-LLVKDONJSA-N -1 3 355.423 2.542 20 10 FFCDHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1O ZINC001580307066 1078784553 /nfs/dbraw/zinc/78/45/53/1078784553.db2.gz GKTFWVVYCFGJFL-LLVKDONJSA-N -1 3 355.423 2.542 20 10 FFCDHM C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693472 1076291712 /nfs/dbraw/zinc/29/17/12/1076291712.db2.gz JDZKQBNGXPGGHP-IUCAKERBSA-N -1 3 361.667 2.894 20 10 FFCDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)c1 ZINC001561244368 1076351252 /nfs/dbraw/zinc/35/12/52/1076351252.db2.gz VQUYICJCZJNKBP-UHFFFAOYSA-N -1 3 353.875 2.896 20 10 FFCDHM C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962595 1080907017 /nfs/dbraw/zinc/90/70/17/1080907017.db2.gz HRMNHKHMAMOYHL-CABCVRRESA-N -1 3 364.453 2.749 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CCCO1 ZINC000080660108 508092197 /nfs/dbraw/zinc/09/21/97/508092197.db2.gz XCNBSVDJULXCGE-CYBMUJFWSA-N -1 3 357.248 2.865 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000093908130 508159880 /nfs/dbraw/zinc/15/98/80/508159880.db2.gz PNCNJPOLRUMFIX-SWLSCSKDSA-N -1 3 352.456 2.559 20 10 FFCDHM O=C(CC[C@@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134258814 508514277 /nfs/dbraw/zinc/51/42/77/508514277.db2.gz XYZNVGNGSPXKAG-RHSMWYFYSA-N -1 3 366.889 2.943 20 10 FFCDHM O=C(CC1CCOCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269353 508515114 /nfs/dbraw/zinc/51/51/14/508515114.db2.gz ODYYNZKXPQWAAK-KRWDZBQOSA-N -1 3 366.889 2.943 20 10 FFCDHM COCCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158051048 508649620 /nfs/dbraw/zinc/64/96/20/508649620.db2.gz KBYCMNNGBALSIU-INIZCTEOSA-N -1 3 354.878 2.943 20 10 FFCDHM CC(C)C(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000123517811 508699069 /nfs/dbraw/zinc/69/90/69/508699069.db2.gz SZVYYWMKRMUUTA-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM CCCOc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)c([O-])c1 ZINC000179493798 509476776 /nfs/dbraw/zinc/47/67/76/509476776.db2.gz QHFJXLSCMCIPTD-UHFFFAOYSA-N -1 3 355.438 2.534 20 10 FFCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000193062887 509760630 /nfs/dbraw/zinc/76/06/30/509760630.db2.gz UFONSEWOPWKGNY-CQSZACIVSA-N -1 3 360.797 2.629 20 10 FFCDHM CC(C)C1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000190328799 510067067 /nfs/dbraw/zinc/06/70/67/510067067.db2.gz KJFYHPIMUGQRTB-UHFFFAOYSA-N -1 3 354.472 2.662 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1cnn(C)c1 ZINC000174652863 510231604 /nfs/dbraw/zinc/23/16/04/510231604.db2.gz NCGNFGKTOMYRJM-UHFFFAOYSA-N -1 3 353.220 2.942 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCc1ccccn1 ZINC000191528656 510706209 /nfs/dbraw/zinc/70/62/09/510706209.db2.gz YCADPCDQZYUOGS-UHFFFAOYSA-N -1 3 362.813 2.575 20 10 FFCDHM C[C@H]([C@H]1CCCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277190462 510957223 /nfs/dbraw/zinc/95/72/23/510957223.db2.gz DAPPGUKPLWVQMB-IAQYHMDHSA-N -1 3 352.818 2.767 20 10 FFCDHM Cc1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cs1 ZINC000277574237 510966297 /nfs/dbraw/zinc/96/62/97/510966297.db2.gz YAZHXWVIAAIQIL-UHFFFAOYSA-N -1 3 365.842 2.817 20 10 FFCDHM COc1c([O-])c(CN[C@@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473373 510993645 /nfs/dbraw/zinc/99/36/45/510993645.db2.gz HVTIPNOYBITLOG-SXBQZSJRSA-N -1 3 364.423 2.518 20 10 FFCDHM COc1c([O-])c(CN[C@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473371 510993749 /nfs/dbraw/zinc/99/37/49/510993749.db2.gz HVTIPNOYBITLOG-PWECECGKSA-N -1 3 364.423 2.518 20 10 FFCDHM CCc1ccc([C@H](COC)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000278518643 510996108 /nfs/dbraw/zinc/99/61/08/510996108.db2.gz RLWQHRXGGCKAIZ-ZDUSSCGKSA-N -1 3 350.371 2.942 20 10 FFCDHM CCN(CC)c1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000278842395 511008578 /nfs/dbraw/zinc/00/85/78/511008578.db2.gz JYTOOXNSZOIEHY-UHFFFAOYSA-N -1 3 360.414 2.840 20 10 FFCDHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(O)c1[O-] ZINC000279101147 511019418 /nfs/dbraw/zinc/01/94/18/511019418.db2.gz JGSUHYVJZXMVCR-UHFFFAOYSA-N -1 3 358.394 2.597 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000290776992 511149993 /nfs/dbraw/zinc/14/99/93/511149993.db2.gz WJVOWENDJFHJMH-GXTWGEPZSA-N -1 3 359.382 2.700 20 10 FFCDHM CCOCc1nc([C@H](C)NCc2cc(Br)ccc2[O-])no1 ZINC000290960424 511155356 /nfs/dbraw/zinc/15/53/56/511155356.db2.gz RLUOEQBDCIEQNH-VIFPVBQESA-N -1 3 356.220 2.925 20 10 FFCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cccc(N2CCOCC2)n1 ZINC000294828737 511191531 /nfs/dbraw/zinc/19/15/31/511191531.db2.gz YHYYRKSTWSTMEA-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000365018477 511208812 /nfs/dbraw/zinc/20/88/12/511208812.db2.gz OQVZPLFKJWQBCJ-AWEZNQCLSA-N -1 3 369.421 2.601 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1ocnc1C1CC1 ZINC000291632220 511276025 /nfs/dbraw/zinc/27/60/25/511276025.db2.gz HXPRROVTTFNMCO-UHFFFAOYSA-N -1 3 364.785 2.726 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1[O-] ZINC000272433829 511493988 /nfs/dbraw/zinc/49/39/88/511493988.db2.gz DNZRQTMVWONTSH-UHFFFAOYSA-N -1 3 358.413 2.731 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1O ZINC000272766540 511506877 /nfs/dbraw/zinc/50/68/77/511506877.db2.gz RJYPYLSUWZCYEE-OCCSQVGLSA-N -1 3 364.442 2.782 20 10 FFCDHM CCN(CC)Cc1nc(C2(NC(=O)c3cccc(O)c3[O-])CCCC2)no1 ZINC000274950549 511996065 /nfs/dbraw/zinc/99/60/65/511996065.db2.gz HWQFNOFMWLLKNR-UHFFFAOYSA-N -1 3 374.441 2.522 20 10 FFCDHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000376555968 512871833 /nfs/dbraw/zinc/87/18/33/512871833.db2.gz KOYNCTRVXKEYMJ-HNNXBMFYSA-N -1 3 370.405 2.658 20 10 FFCDHM CCOc1ccc(N(C)CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736644143 598989947 /nfs/dbraw/zinc/98/99/47/598989947.db2.gz FKWCYQYMFXYGSU-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM CCOc1ccc(N(C)CCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736644143 598989949 /nfs/dbraw/zinc/98/99/49/598989949.db2.gz FKWCYQYMFXYGSU-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821220893 607305279 /nfs/dbraw/zinc/30/52/79/607305279.db2.gz FJLXOUDWYXPGNT-UHFFFAOYSA-N -1 3 367.413 2.867 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821220893 607305280 /nfs/dbraw/zinc/30/52/80/607305280.db2.gz FJLXOUDWYXPGNT-UHFFFAOYSA-N -1 3 367.413 2.867 20 10 FFCDHM COc1ccc(N2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)cc1 ZINC000737098966 598493364 /nfs/dbraw/zinc/49/33/64/598493364.db2.gz ITSGTTWOJUDYFP-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM COc1ccc(N2CCN(c3cccc(Cl)c3-c3nn[n-]n3)CC2)cc1 ZINC000737098966 598493365 /nfs/dbraw/zinc/49/33/65/598493365.db2.gz ITSGTTWOJUDYFP-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM Cc1cc(C(=O)Nc2ccccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237591 598610996 /nfs/dbraw/zinc/61/09/96/598610996.db2.gz AIADKSVIQYBTBX-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000833695603 605041645 /nfs/dbraw/zinc/04/16/45/605041645.db2.gz TUTZRKRSLXJNNF-IBGZPJMESA-N -1 3 358.413 2.920 20 10 FFCDHM CCN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367004 607796195 /nfs/dbraw/zinc/79/61/95/607796195.db2.gz HWUYCBFLEOFROU-FMIVXFBMSA-N -1 3 371.404 2.876 20 10 FFCDHM CCN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367004 607796196 /nfs/dbraw/zinc/79/61/96/607796196.db2.gz HWUYCBFLEOFROU-FMIVXFBMSA-N -1 3 371.404 2.876 20 10 FFCDHM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812257 608003827 /nfs/dbraw/zinc/00/38/27/608003827.db2.gz JJXQYRPWDFUIHE-CLTKARDFSA-N -1 3 358.764 2.730 20 10 FFCDHM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812257 608003828 /nfs/dbraw/zinc/00/38/28/608003828.db2.gz JJXQYRPWDFUIHE-CLTKARDFSA-N -1 3 358.764 2.730 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000826278787 609479371 /nfs/dbraw/zinc/47/93/71/609479371.db2.gz SVRIRCCAWCELEX-UHFFFAOYSA-N -1 3 350.426 2.624 20 10 FFCDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000826278787 609479374 /nfs/dbraw/zinc/47/93/74/609479374.db2.gz SVRIRCCAWCELEX-UHFFFAOYSA-N -1 3 350.426 2.624 20 10 FFCDHM CC(C)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000114800155 728563047 /nfs/dbraw/zinc/56/30/47/728563047.db2.gz WTJCGWYYBASNTJ-CYBMUJFWSA-N -1 3 354.472 2.662 20 10 FFCDHM CCN(CC(=O)Nc1cc(C)no1)Cc1cc(Br)ccc1[O-] ZINC000174426367 729071798 /nfs/dbraw/zinc/07/17/98/729071798.db2.gz AGDFHDAMTDRJCS-UHFFFAOYSA-N -1 3 368.231 2.912 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000321212705 729752173 /nfs/dbraw/zinc/75/21/73/729752173.db2.gz IXNLQUXFMPNSRQ-UHFFFAOYSA-N -1 3 354.453 2.557 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(F)CCOCC1 ZINC000866763910 731096848 /nfs/dbraw/zinc/09/68/48/731096848.db2.gz JMAUPBVIZKUZGK-OAHLLOKOSA-N -1 3 370.852 2.645 20 10 FFCDHM [O-]c1c(Br)cccc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693494 732414939 /nfs/dbraw/zinc/41/49/39/732414939.db2.gz INEBRRUBKMXDRH-VHSXEESVSA-N -1 3 354.166 2.757 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886520591 733800019 /nfs/dbraw/zinc/80/00/19/733800019.db2.gz ICVTVZLYRPUORD-NEPJUHHUSA-N -1 3 352.431 2.851 20 10 FFCDHM COC(=O)[C@@H](CC1CCOCC1)NCc1ccc(Br)cc1[O-] ZINC000895590583 735028246 /nfs/dbraw/zinc/02/82/46/735028246.db2.gz HHQHAEUUCWKFTO-CQSZACIVSA-N -1 3 372.259 2.603 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)N(C)C2CCCCC2)c1[O-] ZINC000750817676 735817179 /nfs/dbraw/zinc/81/71/79/735817179.db2.gz SKJFCXSHDVVIGV-UHFFFAOYSA-N -1 3 350.434 2.957 20 10 FFCDHM O=S(=O)([N-]Cc1ccccc1O)c1cc(Br)ccc1F ZINC000751149043 735849179 /nfs/dbraw/zinc/84/91/79/735849179.db2.gz KFBOURSKUMQBKN-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000752094603 735956950 /nfs/dbraw/zinc/95/69/50/735956950.db2.gz RPWHTULXRYDWBB-IAGOWNOFSA-N -1 3 350.434 2.955 20 10 FFCDHM CCNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000903234623 736063277 /nfs/dbraw/zinc/06/32/77/736063277.db2.gz PBNFNMIKFCSYFB-LLVKDONJSA-N -1 3 370.421 2.819 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756536720 736339747 /nfs/dbraw/zinc/33/97/47/736339747.db2.gz SZNZRMSZQAGPIL-WDEREUQCSA-N -1 3 370.421 2.990 20 10 FFCDHM CS(=O)(=O)c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000758523548 736497173 /nfs/dbraw/zinc/49/71/73/736497173.db2.gz WNIJYLMPJUJALT-UHFFFAOYSA-N -1 3 370.814 2.647 20 10 FFCDHM CCC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCN1CCOC ZINC000766970003 737280611 /nfs/dbraw/zinc/28/06/11/737280611.db2.gz YUJKALBKZHJNEP-QGZVFWFLSA-N -1 3 352.450 2.667 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1c(F)cccc1F ZINC000919812224 737878432 /nfs/dbraw/zinc/87/84/32/737878432.db2.gz RKTRNUOYPZWYPO-VIFPVBQESA-N -1 3 370.377 2.533 20 10 FFCDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(SC)cc1 ZINC000776647418 738218684 /nfs/dbraw/zinc/21/86/84/738218684.db2.gz FKXIJLPPHJGFIA-AWEZNQCLSA-N -1 3 361.419 2.854 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000790416119 739451016 /nfs/dbraw/zinc/45/10/16/739451016.db2.gz RAJRRLPSMPBTDB-UHFFFAOYSA-N -1 3 350.396 2.934 20 10 FFCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000793360668 739773397 /nfs/dbraw/zinc/77/33/97/739773397.db2.gz CKFBSNHOZZYODG-HOCLYGCPSA-N -1 3 356.260 2.925 20 10 FFCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796165935 740110671 /nfs/dbraw/zinc/11/06/71/740110671.db2.gz WGHNZWIBWWWKED-OAHLLOKOSA-N -1 3 352.406 2.835 20 10 FFCDHM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809708818 741334653 /nfs/dbraw/zinc/33/46/53/741334653.db2.gz HZXRSNLOOILSME-GJZGRUSLSA-N -1 3 368.861 2.915 20 10 FFCDHM CCN(CC)C(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824556371 743104413 /nfs/dbraw/zinc/10/44/13/743104413.db2.gz QLOXEPFEOIAPDP-UHFFFAOYSA-N -1 3 370.291 2.734 20 10 FFCDHM CCOC(=O)[C@@H](NCc1ccc(Br)cc1[O-])[C@@H]1CCCOC1 ZINC000825671341 743309260 /nfs/dbraw/zinc/30/92/60/743309260.db2.gz IIPGYRNMXNEPRK-DOMZBBRYSA-N -1 3 372.259 2.603 20 10 FFCDHM Cc1cc([O-])c(CN(C)Cc2ccccc2S(N)(=O)=O)cc1Cl ZINC000826002664 743354109 /nfs/dbraw/zinc/35/41/09/743354109.db2.gz AJSPBJUTAXYTFU-UHFFFAOYSA-N -1 3 354.859 2.633 20 10 FFCDHM CS(=O)(=O)[C@@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@H]1C(F)(F)F ZINC000826894232 743464965 /nfs/dbraw/zinc/46/49/65/743464965.db2.gz LPSNASHXCUKOSL-HUUCEWRRSA-N -1 3 373.396 2.953 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000837146919 746378181 /nfs/dbraw/zinc/37/81/81/746378181.db2.gz ISDCIDSDUGKJLP-ZDUSSCGKSA-N -1 3 350.415 2.616 20 10 FFCDHM Cc1cc([O-])c(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914623 747223349 /nfs/dbraw/zinc/22/33/49/747223349.db2.gz FLTSXVPTQNVOSU-GFCCVEGCSA-N -1 3 350.768 2.949 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039192 747753725 /nfs/dbraw/zinc/75/37/25/747753725.db2.gz BOSBYUZUKRSTOP-CABZTGNLSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039192 747753730 /nfs/dbraw/zinc/75/37/30/747753730.db2.gz BOSBYUZUKRSTOP-CABZTGNLSA-N -1 3 358.232 2.706 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC2CCCC2)c1 ZINC000848356105 748912361 /nfs/dbraw/zinc/91/23/61/748912361.db2.gz SCOMUNMMZKGFFM-OAHLLOKOSA-N -1 3 366.483 2.949 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2c([O-])cccc2Cl)C1=O ZINC001275837035 1013058683 /nfs/dbraw/zinc/05/86/83/1013058683.db2.gz AOQBFRMQKXMSIL-KZULUSFZSA-N -1 3 350.846 2.590 20 10 FFCDHM O=C1N(Cc2cnoc2)CC[C@@]12CCCN2Cc1c([O-])cccc1Cl ZINC001275837792 1013060853 /nfs/dbraw/zinc/06/08/53/1013060853.db2.gz NFSWPLVUQXZVNE-SFHVURJKSA-N -1 3 361.829 2.801 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC000890817795 960606737 /nfs/dbraw/zinc/60/67/37/960606737.db2.gz JCBQEPQYDOYTMS-HXPMCKFVSA-N -1 3 362.426 2.617 20 10 FFCDHM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894753240 965667529 /nfs/dbraw/zinc/66/75/29/965667529.db2.gz RUKOYUBOWXPNJN-CABCVRRESA-N -1 3 370.396 2.540 20 10 FFCDHM Cc1cc([O-])c(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1Cl ZINC000825903810 1014397890 /nfs/dbraw/zinc/39/78/90/1014397890.db2.gz SNMQDUOAUYYGHU-IBGZPJMESA-N -1 3 373.884 2.698 20 10 FFCDHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1cc(F)c(F)cc1[O-] ZINC001142520266 982525783 /nfs/dbraw/zinc/52/57/83/982525783.db2.gz FAIQRWGKYZIOEM-CABCVRRESA-N -1 3 365.405 2.616 20 10 FFCDHM COc1ncc([N+](=O)[O-])c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528579 983910572 /nfs/dbraw/zinc/91/05/72/983910572.db2.gz VJVZQFFSRKZLDN-UHFFFAOYSA-N -1 3 361.745 2.913 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC000055195140 984327230 /nfs/dbraw/zinc/32/72/30/984327230.db2.gz GLPAXTQYILRHLA-AWEZNQCLSA-N -1 3 374.462 2.614 20 10 FFCDHM COc1cc(OC)c(OC)cc1CNC(=O)NCc1c([O-])cccc1F ZINC000913918275 987033495 /nfs/dbraw/zinc/03/34/95/987033495.db2.gz BHIQZIFPOZNFFV-UHFFFAOYSA-N -1 3 364.373 2.557 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@](F)(CO)CC1 ZINC001235296520 988653486 /nfs/dbraw/zinc/65/34/86/988653486.db2.gz JIQGVOACSAJBOB-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cccc(O)c1[O-] ZINC000187101722 990901695 /nfs/dbraw/zinc/90/16/95/990901695.db2.gz NIRXUHDNLRVHFU-NSHDSACASA-N -1 3 364.348 2.708 20 10 FFCDHM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)CC1 ZINC000187117637 990964224 /nfs/dbraw/zinc/96/42/24/990964224.db2.gz QQXOUISZVJQLNV-UHFFFAOYSA-N -1 3 353.422 2.621 20 10 FFCDHM CN(C)c1cc(F)c(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1F ZINC001598305499 991259527 /nfs/dbraw/zinc/25/95/27/991259527.db2.gz IBFXZAHTNVXEMR-LJQANCHMSA-N -1 3 368.424 2.613 20 10 FFCDHM COCCCN(Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809741384 994601014 /nfs/dbraw/zinc/60/10/14/994601014.db2.gz STABDEGZKINFSD-UHFFFAOYSA-N -1 3 361.398 2.743 20 10 FFCDHM COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001598879055 996788903 /nfs/dbraw/zinc/78/89/03/996788903.db2.gz FVHGOZUTIWMBKK-SCRDCRAPSA-N -1 3 350.415 2.608 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3cc(Br)c(F)cc3[O-])CC[C@H]21 ZINC001144308015 998304172 /nfs/dbraw/zinc/30/41/72/998304172.db2.gz GXPLWRJNWRGWBL-IINYFYTJSA-N -1 3 371.250 2.737 20 10 FFCDHM Cc1ccccc1[C@@H]1CCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237941 1000240780 /nfs/dbraw/zinc/24/07/80/1000240780.db2.gz ILQZUBDHWAIQME-INIZCTEOSA-N -1 3 352.394 2.779 20 10 FFCDHM COC(=O)CN(Cc1ccc2c(c1)nnn2C)Cc1cc(Cl)ccc1[O-] ZINC000768542291 1000290708 /nfs/dbraw/zinc/29/07/08/1000290708.db2.gz UQIYYIHZOUHTGN-UHFFFAOYSA-N -1 3 374.828 2.503 20 10 FFCDHM O=C(Nc1cn2cc(C(F)(F)F)ccc2n1)c1cc(O)c([O-])c(O)c1 ZINC001148582893 1001174079 /nfs/dbraw/zinc/17/40/79/1001174079.db2.gz PPDUDYMMYDKENK-UHFFFAOYSA-N -1 3 353.256 2.722 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1NC(=O)c2ccccc21 ZINC001182426575 1001838237 /nfs/dbraw/zinc/83/82/37/1001838237.db2.gz IYJWRGWGBYWWOB-MRXNPFEDSA-N -1 3 367.792 2.695 20 10 FFCDHM CC(C)(C)OC(=O)NC1(CO)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001184410582 1002606588 /nfs/dbraw/zinc/60/65/88/1002606588.db2.gz JOSUQTXTVLJBTI-UHFFFAOYSA-N -1 3 372.412 2.522 20 10 FFCDHM COc1c([O-])c(CN2CCN(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000774818701 1002805006 /nfs/dbraw/zinc/80/50/06/1002805006.db2.gz GFVJFLBUIAUFDK-UHFFFAOYSA-N -1 3 357.410 2.940 20 10 FFCDHM Cn1ncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1Cl ZINC001191950680 1004007031 /nfs/dbraw/zinc/00/70/31/1004007031.db2.gz XRVZIKAFXXVEJL-UHFFFAOYSA-N -1 3 351.193 2.911 20 10 FFCDHM O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccc(O)c([O-])c1Cl ZINC001193236965 1004412306 /nfs/dbraw/zinc/41/23/06/1004412306.db2.gz UVYYUWLPTQWIEG-UHFFFAOYSA-N -1 3 358.785 2.509 20 10 FFCDHM Cc1ncc(I)c(NCc2c([O-])cccc2F)n1 ZINC001187676891 1006193949 /nfs/dbraw/zinc/19/39/49/1006193949.db2.gz HLDAIMVGMSXYIY-UHFFFAOYSA-N -1 3 359.142 2.846 20 10 FFCDHM CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001178409773 1008982913 /nfs/dbraw/zinc/98/29/13/1008982913.db2.gz IKDYHIRMKJOMLX-SFHVURJKSA-N -1 3 373.428 2.672 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@H]3C[C@@H]32)cc1I ZINC001248476956 1011204911 /nfs/dbraw/zinc/20/49/11/1011204911.db2.gz VHERPRCKSJMZOV-SKDRFNHKSA-N -1 3 359.207 2.990 20 10 FFCDHM CCOC(=O)c1nnc(-c2cccc(C[NH2+]Cc3cccc(F)c3[O-])c2)[n-]1 ZINC000809762287 1013037568 /nfs/dbraw/zinc/03/75/68/1013037568.db2.gz KDBQGMMRKSYRBR-UHFFFAOYSA-N -1 3 370.384 2.783 20 10 FFCDHM CCOC(=O)c1nc(-c2cccc(C[NH2+]Cc3cccc(F)c3[O-])c2)n[n-]1 ZINC000809762287 1013037587 /nfs/dbraw/zinc/03/75/87/1013037587.db2.gz KDBQGMMRKSYRBR-UHFFFAOYSA-N -1 3 370.384 2.783 20 10 FFCDHM CCOC(=O)c1n[n-]c(-c2cccc(C[NH2+]Cc3cccc(F)c3[O-])c2)n1 ZINC000809762287 1013037593 /nfs/dbraw/zinc/03/75/93/1013037593.db2.gz KDBQGMMRKSYRBR-UHFFFAOYSA-N -1 3 370.384 2.783 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc2n(n1)CCC2 ZINC000827095188 1017103878 /nfs/dbraw/zinc/10/38/78/1017103878.db2.gz BUUJJFUIVLSYCM-OAHLLOKOSA-N -1 3 374.872 2.583 20 10 FFCDHM O=C1c2cccc(O[C@H]3CCNCC3(F)F)c2C(=O)c2cccc([O-])c21 ZINC001218004766 1032945462 /nfs/dbraw/zinc/94/54/62/1032945462.db2.gz CAJYWTUWTUTKGA-AWEZNQCLSA-N -1 3 359.328 2.544 20 10 FFCDHM CCc1cccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1[O-] ZINC000751390342 1022821486 /nfs/dbraw/zinc/82/14/86/1022821486.db2.gz APQYHWRJRDYMGA-UHFFFAOYSA-N -1 3 367.449 2.909 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392300 1023704163 /nfs/dbraw/zinc/70/41/63/1023704163.db2.gz NJQZXICEZJTHNK-CHWSQXEVSA-N -1 3 358.442 2.909 20 10 FFCDHM COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000756742800 1023751801 /nfs/dbraw/zinc/75/18/01/1023751801.db2.gz OUNZNDYOWOXNTC-IUODEOHRSA-N -1 3 371.393 2.765 20 10 FFCDHM CC[C@@]1(C)CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CCO1 ZINC001121460859 1023790843 /nfs/dbraw/zinc/79/08/43/1023790843.db2.gz PLGZRWORJSSWSU-KRWDZBQOSA-N -1 3 359.455 2.803 20 10 FFCDHM CN(CCOCC1CC1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001121557674 1023848025 /nfs/dbraw/zinc/84/80/25/1023848025.db2.gz SAZMURXQLJDMDZ-UHFFFAOYSA-N -1 3 359.455 2.660 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc2[nH]cnc2c1 ZINC001153736903 1027975250 /nfs/dbraw/zinc/97/52/50/1027975250.db2.gz WAIKZTKWPVYCLM-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203664852 1030813378 /nfs/dbraw/zinc/81/33/78/1030813378.db2.gz ZSAXPXMJPKANCA-AWEZNQCLSA-N -1 3 356.850 2.771 20 10 FFCDHM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C)n1-c1ccccc1 ZINC001151152444 1031867750 /nfs/dbraw/zinc/86/77/50/1031867750.db2.gz AQCBUBRADHESMG-UHFFFAOYSA-N -1 3 373.420 2.599 20 10 FFCDHM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C)n1-c1ccccc1 ZINC001151152444 1031867762 /nfs/dbraw/zinc/86/77/62/1031867762.db2.gz AQCBUBRADHESMG-UHFFFAOYSA-N -1 3 373.420 2.599 20 10 FFCDHM CCOc1ccccc1CN1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000799762538 1031873834 /nfs/dbraw/zinc/87/38/34/1031873834.db2.gz DJPHGBJODKZSFE-HNNXBMFYSA-N -1 3 370.449 2.843 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(CNC(=O)OC(C)(C)C)C1 ZINC001139125670 1034954443 /nfs/dbraw/zinc/95/44/43/1034954443.db2.gz ZQQQIXHRHWKPPK-UHFFFAOYSA-N -1 3 374.437 2.764 20 10 FFCDHM CCn1ncc2c1[C@@H](COC)CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232260093 1035530844 /nfs/dbraw/zinc/53/08/44/1035530844.db2.gz OKJKTNWDJXDPLB-CYBMUJFWSA-N -1 3 351.834 2.713 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2cnn(C)c21 ZINC001232266342 1035538038 /nfs/dbraw/zinc/53/80/38/1035538038.db2.gz XDSLILRPNHMCRJ-AWEZNQCLSA-N -1 3 365.861 2.924 20 10 FFCDHM O=C(C[C@H]1[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]12)NCc1ccco1 ZINC001140580933 1035661903 /nfs/dbraw/zinc/66/19/03/1035661903.db2.gz MIVNOEDKUMGNBQ-QDMKHBRRSA-N -1 3 362.376 2.648 20 10 FFCDHM O=C1N(CCn2ccnc2)CC[C@@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277232432 1035680328 /nfs/dbraw/zinc/68/03/28/1035680328.db2.gz PUDDTJOEAXPXLN-IBGZPJMESA-N -1 3 374.872 2.509 20 10 FFCDHM CC(=O)[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1cccc(Cl)c1[O-])CC2 ZINC001277232529 1035681630 /nfs/dbraw/zinc/68/16/30/1035681630.db2.gz SNHPJSQJOILWMP-SWLSCSKDSA-N -1 3 364.873 2.741 20 10 FFCDHM CCCCN1C[C@@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232523 1035682036 /nfs/dbraw/zinc/68/20/36/1035682036.db2.gz SKMXPPAWNWMXFW-IBGZPJMESA-N -1 3 366.889 2.897 20 10 FFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCc2nccn2C1 ZINC001227940319 1035821326 /nfs/dbraw/zinc/82/13/26/1035821326.db2.gz JQWBAHFWROFTSH-CQSZACIVSA-N -1 3 350.374 2.919 20 10 FFCDHM C[C@H]1CN(Cc2ccc(I)cc2[O-])CCCC1=O ZINC001232974357 1036207694 /nfs/dbraw/zinc/20/76/94/1036207694.db2.gz LOAMHLXMOGTMBP-JTQLQIEISA-N -1 3 359.207 2.798 20 10 FFCDHM COc1cc(Cl)cc(CN2CCC([N-]C(=O)C(F)(F)F)CC2)c1O ZINC001233290094 1036495145 /nfs/dbraw/zinc/49/51/45/1036495145.db2.gz ILORRCNXDHTLIH-UHFFFAOYSA-N -1 3 366.767 2.697 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](O)[C@@H](C)CC2)c1 ZINC001233306459 1036511136 /nfs/dbraw/zinc/51/11/36/1036511136.db2.gz RCIBZQBIKRJNPA-IINYFYTJSA-N -1 3 372.259 2.534 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H](OC(C)C)C2)c1 ZINC001233308966 1036514909 /nfs/dbraw/zinc/51/49/09/1036514909.db2.gz NIVYXOABAZLERE-ZDUSSCGKSA-N -1 3 372.259 2.941 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H](OC)C[C@H]2C)c1 ZINC001233309484 1036515200 /nfs/dbraw/zinc/51/52/00/1036515200.db2.gz LKANGEKDXBPXPU-MFKMUULPSA-N -1 3 372.259 2.941 20 10 FFCDHM CCOCC(COCC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191427 1036541860 /nfs/dbraw/zinc/54/18/60/1036541860.db2.gz ARLPSOTXKJLKOX-UHFFFAOYSA-N -1 3 370.401 2.988 20 10 FFCDHM C[C@H](O)CCCC(=O)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191943 1036542751 /nfs/dbraw/zinc/54/27/51/1036542751.db2.gz GSOAJRBQIDACFV-NSHDSACASA-N -1 3 354.358 2.624 20 10 FFCDHM CN1CCC[C@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229197869 1036549143 /nfs/dbraw/zinc/54/91/43/1036549143.db2.gz RGFFSBMIHCAOOC-LBPRGKRZSA-N -1 3 367.401 2.736 20 10 FFCDHM COc1c(O[C@@H]2COC[C@H]2F)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127030 1036931436 /nfs/dbraw/zinc/93/14/36/1036931436.db2.gz NLKQFAQHGRWEOJ-TZMCWYRMSA-N -1 3 372.348 2.600 20 10 FFCDHM C[N@@H+]1CCC[C@@H](Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)CC1 ZINC001234750152 1037167469 /nfs/dbraw/zinc/16/74/69/1037167469.db2.gz ZPJLTEUTTQMWJH-GFCCVEGCSA-N -1 3 371.389 2.926 20 10 FFCDHM C[N@H+]1CCC[C@@H](Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)CC1 ZINC001234750152 1037167473 /nfs/dbraw/zinc/16/74/73/1037167473.db2.gz ZPJLTEUTTQMWJH-GFCCVEGCSA-N -1 3 371.389 2.926 20 10 FFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCOC[C@H]3F)c12 ZINC001234754192 1037169598 /nfs/dbraw/zinc/16/95/98/1037169598.db2.gz VMBPKQXALKHQGE-ZWNOBZJWSA-N -1 3 362.309 2.569 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c([O-])c1 ZINC001231450114 1037588458 /nfs/dbraw/zinc/58/84/58/1037588458.db2.gz MYERYZMEOLKBGJ-QGZVFWFLSA-N -1 3 361.438 2.641 20 10 FFCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC001231453413 1037595950 /nfs/dbraw/zinc/59/59/50/1037595950.db2.gz FXIKAMGDQPCKMG-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC001231453413 1037595960 /nfs/dbraw/zinc/59/59/60/1037595960.db2.gz FXIKAMGDQPCKMG-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM COC(=O)C1([C@@]2(O)CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)CCC1 ZINC001207669947 1037643898 /nfs/dbraw/zinc/64/38/98/1037643898.db2.gz QGFJAJIDXXENPI-GOSISDBHSA-N -1 3 371.836 2.855 20 10 FFCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231561132 1037684570 /nfs/dbraw/zinc/68/45/70/1037684570.db2.gz OSWUMPAMJPNUSQ-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cc(C(=O)[O-])ccc1O ZINC001231561400 1037685272 /nfs/dbraw/zinc/68/52/72/1037685272.db2.gz UMFQOIWHVYNCMY-UHFFFAOYSA-N -1 3 362.426 2.580 20 10 FFCDHM CC(=O)NCc1ncn2c1CN(Cc1cc(Cl)c(C)cc1[O-])CCC2 ZINC001231869334 1037965313 /nfs/dbraw/zinc/96/53/13/1037965313.db2.gz LRMPMQGPEUKFNY-UHFFFAOYSA-N -1 3 362.861 2.593 20 10 FFCDHM CCOC(=O)c1cn2c(n1)CN(Cc1ccc3ccccc3c1[O-])CC2 ZINC001231882336 1037974343 /nfs/dbraw/zinc/97/43/43/1037974343.db2.gz PMKWOACNUWDFHN-UHFFFAOYSA-N -1 3 351.406 2.934 20 10 FFCDHM CCOC(=O)CCN(CC(=O)OCC)Cc1ccc2ccccc2c1[O-] ZINC001231882256 1037975365 /nfs/dbraw/zinc/97/53/65/1037975365.db2.gz OJXXOVISGZPURA-UHFFFAOYSA-N -1 3 359.422 2.864 20 10 FFCDHM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2[O-])O1 ZINC001236790230 1038271137 /nfs/dbraw/zinc/27/11/37/1038271137.db2.gz NETCUOUZJZYOTI-YUELXQCFSA-N -1 3 359.253 2.519 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)CC[C@@H]2CO)c(Br)c1 ZINC001237063501 1038430387 /nfs/dbraw/zinc/43/03/87/1038430387.db2.gz SAYKRWKMWZYVIB-SECBINFHSA-N -1 3 366.202 2.755 20 10 FFCDHM CCNC(=O)CO[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084227 1038439741 /nfs/dbraw/zinc/43/97/41/1038439741.db2.gz IJBPNESKZQPHBZ-LLVKDONJSA-N -1 3 361.269 2.816 20 10 FFCDHM CC(C)CN1CCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)C1=O ZINC001276606050 1038623909 /nfs/dbraw/zinc/62/39/09/1038623909.db2.gz UAXDBJOQPZQYSH-UHFFFAOYSA-N -1 3 360.454 2.561 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC001251150107 1038969359 /nfs/dbraw/zinc/96/93/59/1038969359.db2.gz XEMVUSNICIUZGX-OLZOCXBDSA-N -1 3 371.412 2.697 20 10 FFCDHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(Cc1c(F)ccc(F)c1[O-])C2 ZINC001278686753 1039775577 /nfs/dbraw/zinc/77/55/77/1039775577.db2.gz HUQUAUSGZKPSDG-KGLIPLIRSA-N -1 3 362.424 2.593 20 10 FFCDHM O=S(=O)(CCC(F)(F)F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001259875231 1040266027 /nfs/dbraw/zinc/26/60/27/1040266027.db2.gz RAEUXEXNOVPZEJ-UHFFFAOYSA-N -1 3 368.764 2.966 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001278565615 1041191540 /nfs/dbraw/zinc/19/15/40/1041191540.db2.gz PTOUUJUQJSBYGS-UHFFFAOYSA-N -1 3 359.857 2.793 20 10 FFCDHM COC1(CC(=O)N2CC3(CN(Cc4cc(Cl)ccc4[O-])C3)C2)CCC1 ZINC001278567337 1041197632 /nfs/dbraw/zinc/19/76/32/1041197632.db2.gz UTCKKBZEBGBIFW-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)C(C)C)CC2)cc1Br ZINC001237686711 1043313109 /nfs/dbraw/zinc/31/31/09/1043313109.db2.gz WZZFLBQBRXOZRE-UHFFFAOYSA-N -1 3 355.276 2.763 20 10 FFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237686099 1043313336 /nfs/dbraw/zinc/31/33/36/1043313336.db2.gz TVEIALCUCQVFHC-ZDUSSCGKSA-N -1 3 374.300 2.944 20 10 FFCDHM C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1Cc1cc(Cl)ccc1[O-] ZINC001279983998 1044035872 /nfs/dbraw/zinc/03/58/72/1044035872.db2.gz YFSJEUMNPLLJQA-CYBMUJFWSA-N -1 3 372.856 2.831 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301561127 1050922440 /nfs/dbraw/zinc/92/24/40/1050922440.db2.gz HHALXYCCRQYSDX-MRXNPFEDSA-N -1 3 352.438 2.644 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cnn2cccc(Br)c12 ZINC001303875735 1051463881 /nfs/dbraw/zinc/46/38/81/1051463881.db2.gz MTMNIKYBMLJANF-UHFFFAOYSA-N -1 3 364.174 2.872 20 10 FFCDHM O=c1[nH]c2cccc(N3CCN(Cc4cc(F)c(F)cc4[O-])CC3)c2[nH]1 ZINC001308949919 1052524486 /nfs/dbraw/zinc/52/44/86/1052524486.db2.gz CCEUPRANVNANOR-UHFFFAOYSA-N -1 3 360.364 2.575 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)c2c([O-])cc(F)cc2F)N(C)C)cc1 ZINC001472631040 1058919296 /nfs/dbraw/zinc/91/92/96/1058919296.db2.gz SOMYOCDPSSTFMQ-MRXNPFEDSA-N -1 3 363.408 2.769 20 10 FFCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1F ZINC001452802541 1059300877 /nfs/dbraw/zinc/30/08/77/1059300877.db2.gz RYOMJYZKNOIYOK-HNNXBMFYSA-N -1 3 366.414 2.784 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001456103655 1060013686 /nfs/dbraw/zinc/01/36/86/1060013686.db2.gz VZIXEUCNALAPJH-UHFFFAOYSA-N -1 3 356.313 2.555 20 10 FFCDHM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474510527 1065541017 /nfs/dbraw/zinc/54/10/17/1065541017.db2.gz KPXQGPYAZZUERB-KBPBESRZSA-N -1 3 370.396 2.540 20 10 FFCDHM CC1(NCc2cc(Br)cc(Br)c2[O-])COC1 ZINC001474662064 1065574308 /nfs/dbraw/zinc/57/43/08/1065574308.db2.gz RNUGZXBBEGPRMO-UHFFFAOYSA-N -1 3 351.038 2.796 20 10 FFCDHM COc1cc2c(c(OC)c1)N(Cc1ccc(-c3nnn[n-]3)c(F)c1)CCC2 ZINC001579937325 1078721768 /nfs/dbraw/zinc/72/17/68/1078721768.db2.gz ISQGBIQRNBTDEG-UHFFFAOYSA-N -1 3 369.400 2.976 20 10 FFCDHM COc1cc2c(c(OC)c1)N(Cc1ccc(-c3nn[n-]n3)c(F)c1)CCC2 ZINC001579937325 1078721769 /nfs/dbraw/zinc/72/17/69/1078721769.db2.gz ISQGBIQRNBTDEG-UHFFFAOYSA-N -1 3 369.400 2.976 20 10 FFCDHM Cc1ncccc1C=CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001581556856 1078978574 /nfs/dbraw/zinc/97/85/74/1078978574.db2.gz BMRXJXVOLIIUAV-VMPITWQZSA-N -1 3 354.801 2.900 20 10 FFCDHM Cc1ncccc1C=CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001581556856 1078978584 /nfs/dbraw/zinc/97/85/84/1078978584.db2.gz BMRXJXVOLIIUAV-VMPITWQZSA-N -1 3 354.801 2.900 20 10 FFCDHM O=S(=O)([N-]Cc1cc(Cl)ccc1O)c1cnc(Cl)c(F)c1 ZINC001561725154 1076413111 /nfs/dbraw/zinc/41/31/11/1076413111.db2.gz NYTUGVYYFUKHBN-UHFFFAOYSA-N -1 3 351.186 2.712 20 10 FFCDHM CCS(=O)(=O)Nc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001562361374 1076490802 /nfs/dbraw/zinc/49/08/02/1076490802.db2.gz CDDMNXVHZPCJCG-UHFFFAOYSA-N -1 3 367.402 2.615 20 10 FFCDHM C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960050 1080904608 /nfs/dbraw/zinc/90/46/08/1080904608.db2.gz ZNDOCSMRDBGWOD-BBATYDOGSA-N -1 3 373.844 2.784 20 10 FFCDHM C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590006555 1080932436 /nfs/dbraw/zinc/93/24/36/1080932436.db2.gz AAGSNXYOSPJSJH-BPOWMSRESA-N -1 3 352.350 2.596 20 10 FFCDHM C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590006555 1080932441 /nfs/dbraw/zinc/93/24/41/1080932441.db2.gz AAGSNXYOSPJSJH-BPOWMSRESA-N -1 3 352.350 2.596 20 10 FFCDHM COc1c([O-])c(CN[C@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000372979949 512116127 /nfs/dbraw/zinc/11/61/27/512116127.db2.gz YTJDIFZCCNMPGP-GFCCVEGCSA-N -1 3 369.381 2.741 20 10 FFCDHM COc1cc(Br)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000180453025 509931121 /nfs/dbraw/zinc/93/11/21/509931121.db2.gz UEEDQTPQSICGEH-GXTWGEPZSA-N -1 3 374.300 2.870 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369134624 512243668 /nfs/dbraw/zinc/24/36/68/512243668.db2.gz OIXLGHIYAFECFA-OAHLLOKOSA-N -1 3 366.805 2.623 20 10 FFCDHM CCCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])no1 ZINC000109779745 507986128 /nfs/dbraw/zinc/98/61/28/507986128.db2.gz FXCRTLLBFJTLSV-UHFFFAOYSA-N -1 3 353.806 2.556 20 10 FFCDHM CC(C)C(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092706152 508096350 /nfs/dbraw/zinc/09/63/50/508096350.db2.gz UBNOLJHQFCGQSS-GFCCVEGCSA-N -1 3 369.849 2.938 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000093910256 508160138 /nfs/dbraw/zinc/16/01/38/508160138.db2.gz SCAXQGVXKSRIOT-MRXNPFEDSA-N -1 3 360.435 2.741 20 10 FFCDHM Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1O ZINC000182486186 509264511 /nfs/dbraw/zinc/26/45/11/509264511.db2.gz IYQSJSCRDUHTKN-UHFFFAOYSA-N -1 3 368.433 2.688 20 10 FFCDHM O=C([N-]c1cnns1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000192079852 509337217 /nfs/dbraw/zinc/33/72/17/509337217.db2.gz NGPZMMNBTSIXAY-UHFFFAOYSA-N -1 3 360.439 2.544 20 10 FFCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc(OC)cc1 ZINC000267425958 509474107 /nfs/dbraw/zinc/47/41/07/509474107.db2.gz BHOVRIPTEJBWMN-QGZVFWFLSA-N -1 3 361.369 2.746 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000267467721 509501509 /nfs/dbraw/zinc/50/15/09/509501509.db2.gz WDDSRLFHPCDSMR-UHFFFAOYSA-N -1 3 356.397 2.997 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c([O-])c1O ZINC000267622809 509570356 /nfs/dbraw/zinc/57/03/56/509570356.db2.gz VETFRJLGQLHLNH-OAHLLOKOSA-N -1 3 356.378 2.776 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCOCC3(CCOCC3)C2)c1[O-] ZINC000183268508 509688429 /nfs/dbraw/zinc/68/84/29/509688429.db2.gz VIVQTONYUVVUAM-UHFFFAOYSA-N -1 3 356.806 2.583 20 10 FFCDHM CCCCNC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000177278604 509976820 /nfs/dbraw/zinc/97/68/20/509976820.db2.gz HQVMMPIGTGHKRK-UHFFFAOYSA-N -1 3 350.434 2.862 20 10 FFCDHM Cc1nc(CN2CCC(CNC(=O)c3ccc(C)c(O)c3[O-])CC2)oc1C ZINC000177685230 510200291 /nfs/dbraw/zinc/20/02/91/510200291.db2.gz KPDQOLUFUJKQKR-UHFFFAOYSA-N -1 3 373.453 2.653 20 10 FFCDHM O=C(NCC1CCN(Cc2cccs2)CC1)c1c(F)ccc(O)c1[O-] ZINC000276635720 510943897 /nfs/dbraw/zinc/94/38/97/510943897.db2.gz UFDLQTHIMXHFNR-UHFFFAOYSA-N -1 3 364.442 2.940 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCOC2(CCC2)C1 ZINC000277874096 510975059 /nfs/dbraw/zinc/97/50/59/510975059.db2.gz FYMJZDRMFQHJBH-AWEZNQCLSA-N -1 3 364.829 2.912 20 10 FFCDHM COc1cccc([C@H](NC(=O)c2ccc(C)c(O)c2[O-])c2nccn2C)c1 ZINC000360987156 510976269 /nfs/dbraw/zinc/97/62/69/510976269.db2.gz ZPDABCWQTNPAAT-INIZCTEOSA-N -1 3 367.405 2.668 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000361154708 511002674 /nfs/dbraw/zinc/00/26/74/511002674.db2.gz SJZDAODXGQLEAF-AWEZNQCLSA-N -1 3 366.464 2.803 20 10 FFCDHM COc1c([O-])c(CNc2ccccc2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000278936865 511014249 /nfs/dbraw/zinc/01/42/49/511014249.db2.gz XBPMHTAZGHDIIH-UHFFFAOYSA-N -1 3 373.409 2.753 20 10 FFCDHM CC(=O)NCCN(Cc1ccsc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000282589304 511037058 /nfs/dbraw/zinc/03/70/58/511037058.db2.gz WVPJLJWXBMZVIY-UHFFFAOYSA-N -1 3 364.442 2.934 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000288535226 511079572 /nfs/dbraw/zinc/07/95/72/511079572.db2.gz KLPOQWCQFSRATL-MLGOLLRUSA-N -1 3 350.758 2.538 20 10 FFCDHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000364829894 511101883 /nfs/dbraw/zinc/10/18/83/511101883.db2.gz NAKDNDGMTSHFFJ-KRWDZBQOSA-N -1 3 360.454 2.741 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn2c1CCC2 ZINC000295479506 511420186 /nfs/dbraw/zinc/42/01/86/511420186.db2.gz ZRMPOBFTUQRVRZ-UHFFFAOYSA-N -1 3 364.243 2.960 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000273002645 511515038 /nfs/dbraw/zinc/51/50/38/511515038.db2.gz OTJZTBWCKDLJGF-CHWSQXEVSA-N -1 3 364.442 2.782 20 10 FFCDHM CC[C@H]1C[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000273008225 511515537 /nfs/dbraw/zinc/51/55/37/511515537.db2.gz PMMYRLPTFTZAEQ-WFASDCNBSA-N -1 3 369.845 2.752 20 10 FFCDHM CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1[O-] ZINC000363398588 511526159 /nfs/dbraw/zinc/52/61/59/511526159.db2.gz LTHSQPTXOMIWPK-UHFFFAOYSA-N -1 3 353.422 2.588 20 10 FFCDHM C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432647 511526687 /nfs/dbraw/zinc/52/66/87/511526687.db2.gz WDXNGVLBXDVOLR-ZDUSSCGKSA-N -1 3 373.409 2.618 20 10 FFCDHM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cc(F)ccc2[O-])cc1 ZINC000280687439 511563598 /nfs/dbraw/zinc/56/35/98/511563598.db2.gz OAWDFKCFCHACGH-GFCCVEGCSA-N -1 3 360.385 2.825 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1C[C@@]12CCOC2 ZINC000364094971 511956268 /nfs/dbraw/zinc/95/62/68/511956268.db2.gz HQJJJBAUMBUFCQ-CZUORRHYSA-N -1 3 354.244 2.930 20 10 FFCDHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc(O)c1[O-] ZINC000275059888 512029879 /nfs/dbraw/zinc/02/98/79/512029879.db2.gz YRMVSKSALZAMTL-OAHLLOKOSA-N -1 3 357.406 2.928 20 10 FFCDHM O=C(c1cccc(NCc2c([O-])cccc2Cl)n1)N1CCC[C@H]1CO ZINC000275213749 512077151 /nfs/dbraw/zinc/07/71/51/512077151.db2.gz IHTIQKBOFFNXAP-LBPRGKRZSA-N -1 3 361.829 2.650 20 10 FFCDHM CN(C(=O)c1cccc(O)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000275255196 512088320 /nfs/dbraw/zinc/08/83/20/512088320.db2.gz HOTCZEGUVULXJF-UHFFFAOYSA-N -1 3 350.415 2.569 20 10 FFCDHM COc1cc(Br)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000376009288 512613980 /nfs/dbraw/zinc/61/39/80/512613980.db2.gz WNBTYBGXBRXQSF-BZNIZROVSA-N -1 3 372.259 2.543 20 10 FFCDHM [O-]c1ccc(Cl)cc1CNc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000376030292 512625361 /nfs/dbraw/zinc/62/53/61/512625361.db2.gz COPMDDJHWZMZOV-UHFFFAOYSA-N -1 3 358.833 2.830 20 10 FFCDHM O=C(CC[C@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000376612974 512899672 /nfs/dbraw/zinc/89/96/72/512899672.db2.gz XYZNVGNGSPXKAG-WMLDXEAASA-N -1 3 366.889 2.943 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN[C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000528654757 516596151 /nfs/dbraw/zinc/59/61/51/516596151.db2.gz XFEWZGBCJMNZNJ-IBGZPJMESA-N -1 3 361.825 2.704 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnn(C2CC2)c1 ZINC000528862290 516756691 /nfs/dbraw/zinc/75/66/91/516756691.db2.gz MXPLCSZCLBKPJV-INIZCTEOSA-N -1 3 374.872 2.971 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CC[C@H]4CC[C@@H](C3)S4(=O)=O)c2c1 ZINC000530108408 517571950 /nfs/dbraw/zinc/57/19/50/517571950.db2.gz MFNFMUZPCWUZQP-CVEARBPZSA-N -1 3 361.463 2.706 20 10 FFCDHM O=[N+]([O-])c1ccc(NCc2c(O)ccc3c2CCCC3)c(-c2nnn[n-]2)c1 ZINC000823639494 599063595 /nfs/dbraw/zinc/06/35/95/599063595.db2.gz BFCVJXKDPIVCKZ-UHFFFAOYSA-N -1 3 366.381 2.971 20 10 FFCDHM O=[N+]([O-])c1ccc(NCc2c(O)ccc3c2CCCC3)c(-c2nn[n-]n2)c1 ZINC000823639494 599063598 /nfs/dbraw/zinc/06/35/98/599063598.db2.gz BFCVJXKDPIVCKZ-UHFFFAOYSA-N -1 3 366.381 2.971 20 10 FFCDHM CCOc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821431323 599226106 /nfs/dbraw/zinc/22/61/06/599226106.db2.gz PRYYACFBRDKYAH-UHFFFAOYSA-N -1 3 355.427 2.579 20 10 FFCDHM Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234335 598610468 /nfs/dbraw/zinc/61/04/68/598610468.db2.gz PJVHKOMUNBWMGE-GFCCVEGCSA-N -1 3 350.426 2.803 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737105839 598782559 /nfs/dbraw/zinc/78/25/59/598782559.db2.gz KFKZDHYHKPOPOR-NSHDSACASA-N -1 3 368.397 2.772 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737105839 598782560 /nfs/dbraw/zinc/78/25/60/598782560.db2.gz KFKZDHYHKPOPOR-NSHDSACASA-N -1 3 368.397 2.772 20 10 FFCDHM CC[C@@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880437 600219147 /nfs/dbraw/zinc/21/91/47/600219147.db2.gz WXVVRBXMRMWAIU-AUUYWEPGSA-N -1 3 362.470 2.752 20 10 FFCDHM CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880437 600219148 /nfs/dbraw/zinc/21/91/48/600219148.db2.gz WXVVRBXMRMWAIU-AUUYWEPGSA-N -1 3 362.470 2.752 20 10 FFCDHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717478 604287120 /nfs/dbraw/zinc/28/71/20/604287120.db2.gz ILXGFUSGTDETOJ-ZIAGYGMSSA-N -1 3 367.877 2.970 20 10 FFCDHM CCOc1ccc(O)c(CNc2cc(-c3nn[n-]n3)ccc2OCC)c1 ZINC000825643054 609477815 /nfs/dbraw/zinc/47/78/15/609477815.db2.gz GYLKVCMNKSEQQX-UHFFFAOYSA-N -1 3 355.398 2.982 20 10 FFCDHM CC(C)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000155131082 728821219 /nfs/dbraw/zinc/82/12/19/728821219.db2.gz BQMAKBIFCMYNSO-UHFFFAOYSA-N -1 3 354.472 2.710 20 10 FFCDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000161180690 728929769 /nfs/dbraw/zinc/92/97/69/728929769.db2.gz KKBRSBLJMNDVJW-QMMMGPOBSA-N -1 3 361.341 2.858 20 10 FFCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000094098862 728479460 /nfs/dbraw/zinc/47/94/60/728479460.db2.gz JJIKYDQHRYLAQH-SWLSCSKDSA-N -1 3 354.472 2.805 20 10 FFCDHM Cc1cccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000115726134 728567084 /nfs/dbraw/zinc/56/70/84/728567084.db2.gz LYFNUGVNLVLYAJ-CYBMUJFWSA-N -1 3 362.451 2.872 20 10 FFCDHM CCOC(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000179745668 729193503 /nfs/dbraw/zinc/19/35/03/729193503.db2.gz BEZWHSSZSFWEHT-UHFFFAOYSA-N -1 3 357.248 2.819 20 10 FFCDHM CC(C)[C@@H](CCNC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000856192547 730314765 /nfs/dbraw/zinc/31/47/65/730314765.db2.gz ZOAWOQBPUYFDLM-CYBMUJFWSA-N -1 3 352.431 2.767 20 10 FFCDHM CCc1noc(C[C@]2(O)CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000856593739 730346543 /nfs/dbraw/zinc/34/65/43/730346543.db2.gz CIXRVDBEKBMTDK-QGZVFWFLSA-N -1 3 351.834 2.561 20 10 FFCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)c(F)c1 ZINC000779652274 738474594 /nfs/dbraw/zinc/47/45/94/738474594.db2.gz NEQACIRMPNXBEX-ZDUSSCGKSA-N -1 3 353.733 2.534 20 10 FFCDHM CCOC(=O)[C@@H](NCc1cc(F)ccc1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000862427768 730701300 /nfs/dbraw/zinc/70/13/00/730701300.db2.gz GGLJQVDYECMQAY-IRXDYDNUSA-N -1 3 367.804 2.940 20 10 FFCDHM [O-]c1c(CNCc2ccncc2OC[C@@H]2CCOC2)ccc(F)c1F ZINC000877534204 732382800 /nfs/dbraw/zinc/38/28/00/732382800.db2.gz BCZBUAORNVNOOO-GFCCVEGCSA-N -1 3 350.365 2.771 20 10 FFCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1F ZINC000740705901 735082128 /nfs/dbraw/zinc/08/21/28/735082128.db2.gz OZIVKJKGZCRVSQ-UHFFFAOYSA-N -1 3 353.371 2.817 20 10 FFCDHM O=C1NCCC2(CCN(Cc3cccc(Br)c3[O-])CC2)O1 ZINC000897018189 735192120 /nfs/dbraw/zinc/19/21/20/735192120.db2.gz HZHQRCODRYTJRE-UHFFFAOYSA-N -1 3 355.232 2.619 20 10 FFCDHM CS(=O)(=O)N1CCc2c1cccc2NCc1c([O-])cccc1Cl ZINC000757994595 736443631 /nfs/dbraw/zinc/44/36/31/736443631.db2.gz VAXGVSSXYZYPLQ-UHFFFAOYSA-N -1 3 352.843 2.980 20 10 FFCDHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773087800 737870210 /nfs/dbraw/zinc/87/02/10/737870210.db2.gz KUINVWWSZHNPDO-NSHDSACASA-N -1 3 367.402 2.839 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000922677560 738183083 /nfs/dbraw/zinc/18/30/83/738183083.db2.gz ADOFOWCGUDOPHR-QWRGUYRKSA-N -1 3 355.410 2.632 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000928706168 738897685 /nfs/dbraw/zinc/89/76/85/738897685.db2.gz OMCNEUVLLSYKAC-NRXISQOPSA-N -1 3 351.418 2.902 20 10 FFCDHM C[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(C)(C)C ZINC000785760707 738996182 /nfs/dbraw/zinc/99/61/82/738996182.db2.gz GMUKEVKSWIKROF-LBPRGKRZSA-N -1 3 356.488 2.956 20 10 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2.580 20 10 FFCDHM COC(=O)C[C@@](C)(NCc1cc(F)cc(C(C)=O)c1[O-])c1ccccn1 ZINC000779470885 1023919213 /nfs/dbraw/zinc/91/92/13/1023919213.db2.gz CBLCUTIRGLUBDG-LJQANCHMSA-N -1 3 360.385 2.697 20 10 FFCDHM COCCOc1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)cc1 ZINC001137839681 1033183338 /nfs/dbraw/zinc/18/33/38/1033183338.db2.gz GQMZHYFYSWONNP-UHFFFAOYSA-N -1 3 360.429 2.879 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1c[nH]c2ncncc12 ZINC001152910284 1027714569 /nfs/dbraw/zinc/71/45/69/1027714569.db2.gz KIPXMTIWIBVBCZ-UHFFFAOYSA-N -1 3 353.769 2.747 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CCN(CC(F)(F)F)C(=O)C3)c2c1 ZINC000795724636 1028030901 /nfs/dbraw/zinc/03/09/01/1028030901.db2.gz CYJHFPYQCFJCFZ-UHFFFAOYSA-N -1 3 368.355 2.761 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nnc2c(F)cccn12 ZINC001156339879 1029155532 /nfs/dbraw/zinc/15/55/32/1029155532.db2.gz WPKMANDBOYUOPP-UHFFFAOYSA-N -1 3 371.759 2.706 20 10 FFCDHM COCc1noc2c1CN(Cc1cc(Br)ccc1[O-])CC2 ZINC001203643351 1030800862 /nfs/dbraw/zinc/80/08/62/1030800862.db2.gz OEPDSKCGQITSLN-UHFFFAOYSA-N -1 3 353.216 2.847 20 10 FFCDHM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(OC2CC2)cc1 ZINC000829748057 1033321035 /nfs/dbraw/zinc/32/10/35/1033321035.db2.gz CGUXIADZVXUQTF-UHFFFAOYSA-N -1 3 374.462 2.865 20 10 FFCDHM COCCCN1CC[C@@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967123 1033863195 /nfs/dbraw/zinc/86/31/95/1033863195.db2.gz DHILDKKRWOSSPV-SFHVURJKSA-N -1 3 370.852 2.788 20 10 FFCDHM O=C(C1CCC1)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC001140101705 1035341482 /nfs/dbraw/zinc/34/14/82/1035341482.db2.gz YBRNQUVZXOLIAT-UHFFFAOYSA-N -1 3 367.287 2.989 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140337934 1035442961 /nfs/dbraw/zinc/44/29/61/1035442961.db2.gz NUBNPOGRIUNZIP-NWDGAFQWSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(C)C(=O)N1CCC[C@@]2(CN(Cc3c([O-])cccc3Cl)CCO2)C1 ZINC001140338925 1035443600 /nfs/dbraw/zinc/44/36/00/1035443600.db2.gz BCOIJTZWCCDFRK-LJQANCHMSA-N -1 3 366.889 2.895 20 10 FFCDHM CCn1cc2c(n1)CN(Cc1cc(Cl)c([O-])cc1O)C[C@@H]2COC ZINC001232257966 1035529559 /nfs/dbraw/zinc/52/95/59/1035529559.db2.gz OBZSWISJNPXRPE-GFCCVEGCSA-N -1 3 351.834 2.713 20 10 FFCDHM CC(C)=CCN1CC2(CN(Cc3cc(Cl)c(C)cc3[O-])C2)OCC1=O ZINC001277213283 1035576485 /nfs/dbraw/zinc/57/64/85/1035576485.db2.gz MDJOIQOFMWDFKS-UHFFFAOYSA-N -1 3 364.873 2.733 20 10 FFCDHM COCCCN1CC[C@@]2(CCCN2Cc2cccc(Cl)c2[O-])C1=O ZINC001277231502 1035671220 /nfs/dbraw/zinc/67/12/20/1035671220.db2.gz CNTHGWJNTWCVCG-SFHVURJKSA-N -1 3 352.862 2.649 20 10 FFCDHM Cn1cncc1CN1CC[C@]2(CCCN2Cc2cccc(Cl)c2[O-])C1=O ZINC001277232095 1035677712 /nfs/dbraw/zinc/67/77/12/1035677712.db2.gz KJMXPETUVFKESP-LJQANCHMSA-N -1 3 374.872 2.546 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC(OC)CC2)c1 ZINC001233305362 1036508897 /nfs/dbraw/zinc/50/88/97/1036508897.db2.gz BMFVRMZYFVCBFI-UHFFFAOYSA-N -1 3 358.232 2.552 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](CCO)C2)c1 ZINC001233308097 1036514586 /nfs/dbraw/zinc/51/45/86/1036514586.db2.gz BVSLNYNDBKOIGB-NSHDSACASA-N -1 3 372.259 2.536 20 10 FFCDHM Cc1noc([C@H]2C[C@@H]3CCN(Cc4c([O-])ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333214 1036538679 /nfs/dbraw/zinc/53/86/79/1036538679.db2.gz OAGUJQJBNZSMPT-COLVAYQJSA-N -1 3 351.353 2.714 20 10 FFCDHM O=C1c2cccc(O[C@H](C[N+](=O)[O-])C3CC3)c2C(=O)c2cccc([O-])c21 ZINC001229192440 1036543458 /nfs/dbraw/zinc/54/34/58/1036543458.db2.gz NBFBRVYFQWHESD-OAHLLOKOSA-N -1 3 353.330 2.602 20 10 FFCDHM COc1ccnc(O[C@@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336685 1036544314 /nfs/dbraw/zinc/54/43/14/1036544314.db2.gz VSMMWAJNEQARKT-LLVKDONJSA-N -1 3 351.353 2.512 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(n2cnnc2)CC1 ZINC001235067956 1037339770 /nfs/dbraw/zinc/33/97/70/1037339770.db2.gz AWXDRBNKEZBFMN-UHFFFAOYSA-N -1 3 355.211 2.722 20 10 FFCDHM O=C1NCCCC12CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235303367 1037463650 /nfs/dbraw/zinc/46/36/50/1037463650.db2.gz NIHKNBCUZUZMNL-UHFFFAOYSA-N -1 3 371.250 2.786 20 10 FFCDHM CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001231449920 1037588722 /nfs/dbraw/zinc/58/87/22/1037588722.db2.gz NTLXUDQFXXDLEP-OIISXLGYSA-N -1 3 361.438 2.892 20 10 FFCDHM CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001231449920 1037588726 /nfs/dbraw/zinc/58/87/26/1037588726.db2.gz NTLXUDQFXXDLEP-OIISXLGYSA-N -1 3 361.438 2.892 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC001231563422 1037686582 /nfs/dbraw/zinc/68/65/82/1037686582.db2.gz PTDJFYNPZYPLJO-UHFFFAOYSA-N -1 3 367.405 2.983 20 10 FFCDHM Cc1cc([O-])c(CN2CCCn3c(Cn4cccn4)nnc3C2)cc1Cl ZINC001231868516 1037964537 /nfs/dbraw/zinc/96/45/37/1037964537.db2.gz CVZSYTPOPGONEK-UHFFFAOYSA-N -1 3 372.860 2.596 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)N(C)C)CC2)c1 ZINC001236668686 1038183467 /nfs/dbraw/zinc/18/34/67/1038183467.db2.gz DNKQAFKIOSBPSN-UHFFFAOYSA-N -1 3 370.291 2.699 20 10 FFCDHM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023115 1038331039 /nfs/dbraw/zinc/33/10/39/1038331039.db2.gz LAMJZOLDSUODIX-COLVAYQJSA-N -1 3 368.836 2.728 20 10 FFCDHM COc1cc([O-])c(CN2CCC(F)(F)[C@H](CO)C2)c(Br)c1 ZINC001237061782 1038430199 /nfs/dbraw/zinc/43/01/99/1038430199.db2.gz HSACYOQDCHZESZ-VIFPVBQESA-N -1 3 366.202 2.613 20 10 FFCDHM CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001276605854 1038622384 /nfs/dbraw/zinc/62/23/84/1038622384.db2.gz PUUKIXFCOQPCOP-INIZCTEOSA-N -1 3 360.454 2.609 20 10 FFCDHM CCCN1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251432880 1039128702 /nfs/dbraw/zinc/12/87/02/1039128702.db2.gz RAWMQLMHNPRXAM-UHFFFAOYSA-N -1 3 367.298 2.852 20 10 FFCDHM O=C(NCC(F)(F)F)N1CCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001278491259 1039885121 /nfs/dbraw/zinc/88/51/21/1039885121.db2.gz SEVQKMRASNMBIC-UHFFFAOYSA-N -1 3 363.767 2.578 20 10 FFCDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2C)cc1I ZINC001248462199 1040285842 /nfs/dbraw/zinc/28/58/42/1040285842.db2.gz QQAHHIVPQBAQQO-SCZZXKLOSA-N -1 3 365.186 2.938 20 10 FFCDHM O=C([O-])c1ccc(CN2CC3(CN(CCCC(F)(F)F)C3)C2)c(O)c1 ZINC001279261578 1042971926 /nfs/dbraw/zinc/97/19/26/1042971926.db2.gz VPZKBIFLFCOMAC-UHFFFAOYSA-N -1 3 358.360 2.551 20 10 FFCDHM CCn1ccnc1CN1CCC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001279441553 1043115503 /nfs/dbraw/zinc/11/55/03/1043115503.db2.gz FELOBGWYEMAIPB-UHFFFAOYSA-N -1 3 360.889 2.970 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@H](CO)CC(F)(F)C2)cc1Br ZINC001237675770 1043305195 /nfs/dbraw/zinc/30/51/95/1043305195.db2.gz AQHNLHJOGFKRFA-SNVBAGLBSA-N -1 3 350.203 2.913 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001237775444 1043348540 /nfs/dbraw/zinc/34/85/40/1043348540.db2.gz GCPXEJRUNNFHPD-MFKMUULPSA-N -1 3 359.207 2.608 20 10 FFCDHM O=C(NCc1ccccc1Cn1cccn1)NCc1c([O-])cccc1F ZINC001311469909 1043922803 /nfs/dbraw/zinc/92/28/03/1043922803.db2.gz DXMVVBRRZODMBP-UHFFFAOYSA-N -1 3 354.385 2.776 20 10 FFCDHM CO[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC[C@@H]1C ZINC001340095649 1050499856 /nfs/dbraw/zinc/49/98/56/1050499856.db2.gz NDUIPDRVXPUECE-JQWIXIFHSA-N -1 3 359.455 2.659 20 10 FFCDHM O=C1NCCN(Cc2ccc(Br)cc2[O-])[C@@H]1c1ccccc1 ZINC001308581752 1052473109 /nfs/dbraw/zinc/47/31/09/1052473109.db2.gz NUKNHEFXRJPMDF-MRXNPFEDSA-N -1 3 361.239 2.828 20 10 FFCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)c(=O)n(-c2ccccc2)n1C ZINC001475932705 1061311983 /nfs/dbraw/zinc/31/19/83/1061311983.db2.gz LUEDXPMMCAXNTG-UHFFFAOYSA-N -1 3 370.384 2.651 20 10 FFCDHM C[C@@H]1CN(c2ccc(NC(=O)NCc3c([O-])cccc3F)cn2)C[C@@H](C)O1 ZINC001476524405 1061426253 /nfs/dbraw/zinc/42/62/53/1061426253.db2.gz AVUWKFIJYUYIIZ-CHWSQXEVSA-N -1 3 374.416 2.862 20 10 FFCDHM COc1cccc([O-])c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001464257635 1062510819 /nfs/dbraw/zinc/51/08/19/1062510819.db2.gz DWOWENOTYSZCHW-UHFFFAOYSA-N -1 3 358.463 2.884 20 10 FFCDHM [O-]c1c(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc(F)c1F ZINC001582814946 1079113097 /nfs/dbraw/zinc/11/30/97/1079113097.db2.gz WVTQNTORXSFZDZ-UHFFFAOYSA-N -1 3 351.744 2.794 20 10 FFCDHM [O-]c1c(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc(F)c1F ZINC001582814946 1079113102 /nfs/dbraw/zinc/11/31/02/1079113102.db2.gz WVTQNTORXSFZDZ-UHFFFAOYSA-N -1 3 351.744 2.794 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001558455462 1076010161 /nfs/dbraw/zinc/01/01/61/1076010161.db2.gz UOVWQOHFOGWYKB-ZDUSSCGKSA-N -1 3 362.788 2.854 20 10 FFCDHM C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589977740 1080916976 /nfs/dbraw/zinc/91/69/76/1080916976.db2.gz HPSLBGMZPFBAMR-UGSOOPFHSA-N -1 3 357.458 2.962 20 10 FFCDHM COc1c([O-])c(CN[C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000372979951 512116458 /nfs/dbraw/zinc/11/64/58/512116458.db2.gz YTJDIFZCCNMPGP-LBPRGKRZSA-N -1 3 369.381 2.741 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@H](COC(C)C)C2)c1[O-] ZINC000373488317 512356628 /nfs/dbraw/zinc/35/66/28/512356628.db2.gz COMXMSYHGSCEGI-AWEZNQCLSA-N -1 3 374.275 2.789 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccc(=O)n(C)c1 ZINC000075416949 508106609 /nfs/dbraw/zinc/10/66/09/508106609.db2.gz WOKCEQGVLZKJQE-UHFFFAOYSA-N -1 3 365.227 2.516 20 10 FFCDHM COCCCOC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093561366 508148869 /nfs/dbraw/zinc/14/88/69/508148869.db2.gz ILFDRHVKAQLCKJ-UHFFFAOYSA-N -1 3 358.822 2.971 20 10 FFCDHM O=C1CCCCN1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093741551 508153685 /nfs/dbraw/zinc/15/36/85/508153685.db2.gz NOTUASAPNMOMKR-UHFFFAOYSA-N -1 3 367.833 2.931 20 10 FFCDHM COc1ccc(CCNC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000112583737 508199383 /nfs/dbraw/zinc/19/93/83/508199383.db2.gz WTTCMAPRTDDVMM-OAHLLOKOSA-N -1 3 372.465 2.589 20 10 FFCDHM COc1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000112583652 508199698 /nfs/dbraw/zinc/19/96/98/508199698.db2.gz RJFVKXLMOWFZGK-CQSZACIVSA-N -1 3 358.438 2.546 20 10 FFCDHM CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000179561368 509514165 /nfs/dbraw/zinc/51/41/65/509514165.db2.gz HTOYYXLZAYKWRA-UHFFFAOYSA-N -1 3 369.465 2.689 20 10 FFCDHM CCN(Cc1nc(N(C)C)no1)Cc1cc(Br)ccc1[O-] ZINC000192734547 509621125 /nfs/dbraw/zinc/62/11/25/509621125.db2.gz LECYDHMFCLPLDU-UHFFFAOYSA-N -1 3 355.236 2.626 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCOCC2(CCOCC2)C1 ZINC000183271420 509689935 /nfs/dbraw/zinc/68/99/35/509689935.db2.gz WJXKQNRKFJTYIB-UHFFFAOYSA-N -1 3 356.260 2.784 20 10 FFCDHM CCO[C@H]1C[C@@](NCc2cc(F)cc(C(C)=O)c2[O-])(C(=O)OC)C1(C)C ZINC000275529660 510903315 /nfs/dbraw/zinc/90/33/15/510903315.db2.gz KJJJUIYRKXVJMU-HNAYVOBHSA-N -1 3 367.417 2.570 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](O)c1cccnc1 ZINC000270817701 510993658 /nfs/dbraw/zinc/99/36/58/510993658.db2.gz PSIGGTZKSCQPJG-HNNXBMFYSA-N -1 3 365.227 2.632 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2noc(COC(C)C)n2)c1[O-] ZINC000289441277 511101717 /nfs/dbraw/zinc/10/17/17/511101717.db2.gz FAQDXXGEZOYIHQ-SNVBAGLBSA-N -1 3 351.378 2.893 20 10 FFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291060756 511158124 /nfs/dbraw/zinc/15/81/24/511158124.db2.gz PGMXISNNKLHKKG-GFCCVEGCSA-N -1 3 355.394 2.509 20 10 FFCDHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271399593 511191860 /nfs/dbraw/zinc/19/18/60/511191860.db2.gz NJDSMVSHFRDMMS-SWLSCSKDSA-N -1 3 354.472 2.805 20 10 FFCDHM COc1cc(Cl)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000295141738 511295959 /nfs/dbraw/zinc/29/59/59/511295959.db2.gz ZUWHQKUMVSXVKT-OAHLLOKOSA-N -1 3 353.850 2.637 20 10 FFCDHM Cc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280144113 511351788 /nfs/dbraw/zinc/35/17/88/511351788.db2.gz DGFOZHSYQWCDSW-LRDDRELGSA-N -1 3 356.260 2.843 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367251 511523656 /nfs/dbraw/zinc/52/36/56/511523656.db2.gz FHUUHHHAVJSTAY-ZIAGYGMSSA-N -1 3 356.422 2.534 20 10 FFCDHM C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480401 511529721 /nfs/dbraw/zinc/52/97/21/511529721.db2.gz UGXFSUWUGHORAI-SUMWQHHRSA-N -1 3 370.409 2.537 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN([C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641016 511832971 /nfs/dbraw/zinc/83/29/71/511832971.db2.gz YCHOVOOLMTUUNR-SGANQWHYSA-N -1 3 371.474 2.759 20 10 FFCDHM CC[C@H](NCc1nnc2n1CCC2)c1cc(Br)ccc1[O-] ZINC000274970402 512002346 /nfs/dbraw/zinc/00/23/46/512002346.db2.gz YCPJUSIVDCGTNH-LBPRGKRZSA-N -1 3 351.248 2.933 20 10 FFCDHM CCCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000530173365 517608828 /nfs/dbraw/zinc/60/88/28/517608828.db2.gz VGIXGEWYISHHAA-UHFFFAOYSA-N -1 3 370.409 2.554 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000739780106 603397801 /nfs/dbraw/zinc/39/78/01/603397801.db2.gz MXWQCESGOSIMDZ-PXAZEXFGSA-N -1 3 372.421 2.810 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000739780106 603397805 /nfs/dbraw/zinc/39/78/05/603397805.db2.gz MXWQCESGOSIMDZ-PXAZEXFGSA-N -1 3 372.421 2.810 20 10 FFCDHM COc1cc(N(C)Cc2cc(-c3nnn[n-]3)cs2)cc(OC)c1OC ZINC000826180490 609173976 /nfs/dbraw/zinc/17/39/76/609173976.db2.gz JUDKMKUTHJGMHK-UHFFFAOYSA-N -1 3 361.427 2.590 20 10 FFCDHM COc1cc(N(C)Cc2cc(-c3nn[n-]n3)cs2)cc(OC)c1OC ZINC000826180490 609173978 /nfs/dbraw/zinc/17/39/78/609173978.db2.gz JUDKMKUTHJGMHK-UHFFFAOYSA-N -1 3 361.427 2.590 20 10 FFCDHM CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825880184 609286725 /nfs/dbraw/zinc/28/67/25/609286725.db2.gz XKVVBXFETRRQOS-UHFFFAOYSA-N -1 3 356.817 2.516 20 10 FFCDHM CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825880184 609286726 /nfs/dbraw/zinc/28/67/26/609286726.db2.gz XKVVBXFETRRQOS-UHFFFAOYSA-N -1 3 356.817 2.516 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000065619488 728157945 /nfs/dbraw/zinc/15/79/45/728157945.db2.gz PSSVGTMEOFXWOW-JTQLQIEISA-N -1 3 368.842 2.908 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000120750287 728615006 /nfs/dbraw/zinc/61/50/06/728615006.db2.gz OQIVHWRRTQBQBC-UHFFFAOYSA-N -1 3 357.439 2.549 20 10 FFCDHM CCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177270764 729133086 /nfs/dbraw/zinc/13/30/86/729133086.db2.gz FTLSIESTBPTCGZ-ZDUSSCGKSA-N -1 3 352.862 2.986 20 10 FFCDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862247597 730681388 /nfs/dbraw/zinc/68/13/88/730681388.db2.gz JQZFTJVEBNNZPP-CQSZACIVSA-N -1 3 372.259 2.697 20 10 FFCDHM O=C1CCC[C@H]1[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862337085 730689962 /nfs/dbraw/zinc/68/99/62/730689962.db2.gz QITNBMGLTFYUQA-SMDDNHRTSA-N -1 3 354.244 2.725 20 10 FFCDHM CS(=O)(=O)[C@@H]1CCCCN(Cc2c([O-])cccc2Br)C1 ZINC000862349197 730690537 /nfs/dbraw/zinc/69/05/37/730690537.db2.gz SGFFBIQEMBIVIO-LLVKDONJSA-N -1 3 362.289 2.554 20 10 FFCDHM CC[C@@H]1[C@@H](NC(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000862850028 730730328 /nfs/dbraw/zinc/73/03/28/730730328.db2.gz DUPKTZAUEZHMTL-QWHCGFSZSA-N -1 3 350.415 2.616 20 10 FFCDHM [O-]c1c(CNCc2ccncc2OC[C@H]2CCOC2)ccc(F)c1F ZINC000877534205 732382781 /nfs/dbraw/zinc/38/27/81/732382781.db2.gz BCZBUAORNVNOOO-LBPRGKRZSA-N -1 3 350.365 2.771 20 10 FFCDHM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859162 732445881 /nfs/dbraw/zinc/44/58/81/732445881.db2.gz QKCYORFMXDHJPT-ZDUSSCGKSA-N -1 3 371.137 2.993 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000781896714 738668886 /nfs/dbraw/zinc/66/88/86/738668886.db2.gz MMPVRCNKJZMLFE-ZDUSSCGKSA-N -1 3 374.300 2.615 20 10 FFCDHM CN(C)C(=O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893901584 734769432 /nfs/dbraw/zinc/76/94/32/734769432.db2.gz BRZQCCYYMSLITJ-UHFFFAOYSA-N -1 3 359.239 2.594 20 10 FFCDHM CNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894021717 734788231 /nfs/dbraw/zinc/78/82/31/734788231.db2.gz YSXICRAYKPUOCE-VIFPVBQESA-N -1 3 361.667 2.766 20 10 FFCDHM C[C@](CO)(NCc1cc(Br)cc(F)c1[O-])c1cccc(O)c1 ZINC000895390316 734999606 /nfs/dbraw/zinc/99/96/06/734999606.db2.gz WPXLDSHWSNQDJR-MRXNPFEDSA-N -1 3 370.218 2.997 20 10 FFCDHM O=C1NCCC12CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000895471097 735011682 /nfs/dbraw/zinc/01/16/82/735011682.db2.gz QOYMNOCWIGLPFR-UHFFFAOYSA-N -1 3 373.678 2.910 20 10 FFCDHM O=S(=O)(c1ccc(NCc2c([O-])cccc2F)nc1)N1CCCCC1 ZINC000895837520 735062140 /nfs/dbraw/zinc/06/21/40/735062140.db2.gz MGLRBCQKHHXGGP-UHFFFAOYSA-N -1 3 365.430 2.713 20 10 FFCDHM COC(=O)c1cnc([C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC000896971304 735190208 /nfs/dbraw/zinc/19/02/08/735190208.db2.gz OXLLQTGXNMQCSU-JTQLQIEISA-N -1 3 354.378 2.903 20 10 FFCDHM COc1nn(C)cc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000903337354 736077295 /nfs/dbraw/zinc/07/72/95/736077295.db2.gz IQENFPJHXQTDQK-QMMMGPOBSA-N -1 3 358.211 2.887 20 10 FFCDHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cccc(O)c2[O-])nc1C ZINC000790875213 739507804 /nfs/dbraw/zinc/50/78/04/739507804.db2.gz DXUKSWJALNKFEB-SECBINFHSA-N -1 3 350.396 2.530 20 10 FFCDHM CCN(Cc1nnnn1C(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000766796496 737263987 /nfs/dbraw/zinc/26/39/87/737263987.db2.gz NCVBPWPLUCZBOE-UHFFFAOYSA-N -1 3 368.279 2.918 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000767427409 737324831 /nfs/dbraw/zinc/32/48/31/737324831.db2.gz ZTZOITGRLHMGAV-AWEZNQCLSA-N -1 3 367.199 2.886 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000769687994 737553924 /nfs/dbraw/zinc/55/39/24/737553924.db2.gz AYBADKZFWAXLKC-INWMFGNUSA-N -1 3 366.483 2.805 20 10 FFCDHM C[C@@H]1c2sccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000921514704 737995128 /nfs/dbraw/zinc/99/51/28/737995128.db2.gz WGJIQOQOUYGYSZ-SNVBAGLBSA-N -1 3 366.464 2.585 20 10 FFCDHM COc1c([O-])c(CNc2ccc([S@@](C)=O)c(F)c2)ccc1[N+](=O)[O-] ZINC000774937517 738042457 /nfs/dbraw/zinc/04/24/57/738042457.db2.gz GLNHIZIKFOCBDI-XMMPIXPASA-N -1 3 354.359 2.798 20 10 FFCDHM COC(=O)c1sc(NC(=O)c2cccc(O)c2[O-])nc1C(C)(C)C ZINC000776667653 738220494 /nfs/dbraw/zinc/22/04/94/738220494.db2.gz CORAERBBVUGADG-UHFFFAOYSA-N -1 3 350.396 2.891 20 10 FFCDHM C[C@H](CC(=O)NCc1c([O-])cccc1F)n1cc(Br)cn1 ZINC000928706879 738897881 /nfs/dbraw/zinc/89/78/81/738897881.db2.gz YFHXREJGWJNDQI-SECBINFHSA-N -1 3 356.195 2.758 20 10 FFCDHM Cn1nc2c(c1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCCC2 ZINC000812773814 741650632 /nfs/dbraw/zinc/65/06/32/741650632.db2.gz UEUWGNASLJVCAY-UHFFFAOYSA-N -1 3 350.806 2.856 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000822504547 742745609 /nfs/dbraw/zinc/74/56/09/742745609.db2.gz UYGTYUGWPOYCJT-ZDUSSCGKSA-N -1 3 351.248 2.892 20 10 FFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824561501 743104983 /nfs/dbraw/zinc/10/49/83/743104983.db2.gz XMPDFTQIEQNILH-CYBMUJFWSA-N -1 3 357.248 2.865 20 10 FFCDHM C[C@H]1OCC[C@@]12CN(Cc1ccc(Br)cc1[O-])C[C@@H](C)O2 ZINC000825731938 743320387 /nfs/dbraw/zinc/32/03/87/743320387.db2.gz MONQFVSJQHEZRM-XHBSWPGZSA-N -1 3 356.260 2.923 20 10 FFCDHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000831201964 745497642 /nfs/dbraw/zinc/49/76/42/745497642.db2.gz LTZGOHYUHWCJLA-SFHVURJKSA-N -1 3 366.483 2.949 20 10 FFCDHM Cc1cc(Br)cc(C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])c1[O-] ZINC000848640639 748974447 /nfs/dbraw/zinc/97/44/47/748974447.db2.gz SVKLGBFSYZCLIG-AWEZNQCLSA-N -1 3 365.227 2.644 20 10 FFCDHM COC1CCN(c2ccc(CN3Cc4nc(C)[n-]c(=O)c4C3)cc2)CC1 ZINC000931314153 971891722 /nfs/dbraw/zinc/89/17/22/971891722.db2.gz WSNIJTJIHWNNQL-UHFFFAOYSA-N -1 3 354.454 2.622 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1c1ccccc1 ZINC000923962380 982134649 /nfs/dbraw/zinc/13/46/49/982134649.db2.gz ZQKYLXPQTDGWJZ-FZKQIMNGSA-N -1 3 374.462 2.987 20 10 FFCDHM C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1[O-] ZINC001599902246 984858279 /nfs/dbraw/zinc/85/82/79/984858279.db2.gz SUIYKWAFUCYIET-JTQLQIEISA-N -1 3 360.435 2.930 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc2c(c1)CC(=O)N2C ZINC000916595763 989834529 /nfs/dbraw/zinc/83/45/29/989834529.db2.gz AYNOFYIEEJAGCE-NSHDSACASA-N -1 3 357.385 2.611 20 10 FFCDHM C[C@]1(c2ccccc2)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000920977894 990948374 /nfs/dbraw/zinc/94/83/74/990948374.db2.gz VVQZXTWOVMDNQB-LJQANCHMSA-N -1 3 374.462 2.915 20 10 FFCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000921325679 991049696 /nfs/dbraw/zinc/04/96/96/991049696.db2.gz QQIQHJVNFQECHR-AWEZNQCLSA-N -1 3 361.421 2.800 20 10 FFCDHM C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353277 994976553 /nfs/dbraw/zinc/97/65/53/994976553.db2.gz SBHNXTJATCUBDF-FHGNATFXSA-N -1 3 359.378 2.592 20 10 FFCDHM COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C(=O)[O-])cc1O ZINC001599532534 997683219 /nfs/dbraw/zinc/68/32/19/997683219.db2.gz RBZXPMLYRRIYPQ-OAHLLOKOSA-N -1 3 367.785 2.684 20 10 FFCDHM COc1ccc([C@@H](NCc2cc(Cl)cc(OC)c2O)C(=O)[O-])cc1O ZINC001599532534 997683225 /nfs/dbraw/zinc/68/32/25/997683225.db2.gz RBZXPMLYRRIYPQ-OAHLLOKOSA-N -1 3 367.785 2.684 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@](F)(CO)CC1 ZINC001144299112 998285417 /nfs/dbraw/zinc/28/54/17/998285417.db2.gz POZQCNHSYPEDQW-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM O=C1CCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)N1 ZINC001144308220 998305266 /nfs/dbraw/zinc/30/52/66/998305266.db2.gz SVAXSPWNXUFWTR-UHFFFAOYSA-N -1 3 357.223 2.538 20 10 FFCDHM CN1C(=O)CCC12CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144307937 998305752 /nfs/dbraw/zinc/30/57/52/998305752.db2.gz MCQACMZYDHKYPR-UHFFFAOYSA-N -1 3 371.250 2.881 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CC2CCC1CC2 ZINC001144575838 998662590 /nfs/dbraw/zinc/66/25/90/998662590.db2.gz TVQHOGZSQUIKRJ-LPXQKFACSA-N -1 3 366.483 2.708 20 10 FFCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C(=O)NC2CC2)c1 ZINC000770488644 1000814312 /nfs/dbraw/zinc/81/43/12/1000814312.db2.gz MGNILPSMTMNHMS-UHFFFAOYSA-N -1 3 356.378 2.559 20 10 FFCDHM O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(O)c1[O-] ZINC001148223997 1001074795 /nfs/dbraw/zinc/07/47/95/1001074795.db2.gz AVHRQSIHXBDCOA-UHFFFAOYSA-N -1 3 372.396 2.519 20 10 FFCDHM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148587214 1001176883 /nfs/dbraw/zinc/17/68/83/1001176883.db2.gz DQVPVDOKIFXPLR-UHFFFAOYSA-N -1 3 362.345 2.734 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(Cc2ccccc2)[C@@]2(CO)CCOC2)c1[O-] ZINC000787674394 1001702834 /nfs/dbraw/zinc/70/28/34/1001702834.db2.gz DDGRKSGXLSWYNW-OAQYLSRUSA-N -1 3 373.424 2.888 20 10 FFCDHM CN1C(=O)N[C@@](C)(c2ccc(NCc3cc(F)c(F)cc3[O-])cc2)C1=O ZINC001182594141 1001970224 /nfs/dbraw/zinc/97/02/24/1001970224.db2.gz FBRNSFBAFPVFGW-SFHVURJKSA-N -1 3 361.348 2.679 20 10 FFCDHM Cn1c(CNCc2c([O-])ccc(Cl)c2F)cc(=O)n1-c1ccccc1 ZINC001184142274 1002502236 /nfs/dbraw/zinc/50/22/36/1002502236.db2.gz FLTKYNFBLTWVJN-UHFFFAOYSA-N -1 3 361.804 2.964 20 10 FFCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000790903996 1002515917 /nfs/dbraw/zinc/51/59/17/1002515917.db2.gz FFZURQGOHFNCFN-GXTWGEPZSA-N -1 3 364.442 2.863 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2N(C)C(=O)CO3)c1 ZINC000883397640 1006778577 /nfs/dbraw/zinc/77/85/77/1006778577.db2.gz RDJNLXFUSWYIJI-NSHDSACASA-N -1 3 356.378 2.707 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000862788973 1009973591 /nfs/dbraw/zinc/97/35/91/1009973591.db2.gz FVURZMSMJVXIFE-FQEVSTJZSA-N -1 3 353.374 2.738 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC001217313738 1032687702 /nfs/dbraw/zinc/68/77/02/1032687702.db2.gz YYCSNEIRKSQBRP-UHFFFAOYSA-N -1 3 363.320 2.949 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000928710965 1019086355 /nfs/dbraw/zinc/08/63/55/1019086355.db2.gz YSQZZZLHMVMYAJ-CQSZACIVSA-N -1 3 374.387 2.839 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)cc1N1CCOCC1 ZINC000931723304 1020563163 /nfs/dbraw/zinc/56/31/63/1020563163.db2.gz RGRHYZIQQHHWHL-UHFFFAOYSA-N -1 3 363.364 2.829 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001118726711 1022369560 /nfs/dbraw/zinc/36/95/60/1022369560.db2.gz GFABOHPMYRWHFU-JTQLQIEISA-N -1 3 353.300 2.884 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CC[NH2+]C[C@@H]3C)c1C2=O ZINC001218415691 1033145725 /nfs/dbraw/zinc/14/57/25/1033145725.db2.gz PMDQXIMSRIEJEC-MEDUHNTESA-N -1 3 367.401 2.558 20 10 FFCDHM O=C1c2ccc(O[C@H]3CNCCC3(F)F)cc2C(=O)c2ccc([O-])cc21 ZINC001218452994 1033162689 /nfs/dbraw/zinc/16/26/89/1033162689.db2.gz GZQJKXGHDLFUCA-INIZCTEOSA-N -1 3 359.328 2.544 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](CO)[C@H]1C ZINC001122036622 1024278975 /nfs/dbraw/zinc/27/89/75/1024278975.db2.gz TZCOBTMZBJWPBI-VXGBXAGGSA-N -1 3 373.482 2.878 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000837790764 1026024277 /nfs/dbraw/zinc/02/42/77/1026024277.db2.gz KYGVZTXIWMHPFN-QGZVFWFLSA-N -1 3 363.360 2.962 20 10 FFCDHM CN(C)C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC001141367591 1026043853 /nfs/dbraw/zinc/04/38/53/1026043853.db2.gz HEWCWNKDBKSLPW-LBPRGKRZSA-N -1 3 363.683 2.571 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)c([O-])c1O ZINC000780905671 1028859222 /nfs/dbraw/zinc/85/92/22/1028859222.db2.gz WUXXVVOHPMRNMJ-UHFFFAOYSA-N -1 3 350.374 2.869 20 10 FFCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1N1CCOC1=O ZINC000780955296 1028894093 /nfs/dbraw/zinc/89/40/93/1028894093.db2.gz CZJPWXWNDFZYEB-UHFFFAOYSA-N -1 3 358.350 2.624 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c([O-])c1O ZINC000781005900 1028932424 /nfs/dbraw/zinc/93/24/24/1028932424.db2.gz HLYXIBUMLVKWMT-UHFFFAOYSA-N -1 3 369.421 2.748 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203648276 1030803473 /nfs/dbraw/zinc/80/34/73/1030803473.db2.gz HYDPLDRPMHNELO-KBPBESRZSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(C)CC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203645748 1030804494 /nfs/dbraw/zinc/80/44/94/1030804494.db2.gz PAAFHHIGZORNTG-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM COc1ccc(N2CC[C@H](CNC(=O)c3c([O-])cccc3OC)C2)cc1 ZINC001142798060 1030895336 /nfs/dbraw/zinc/89/53/36/1030895336.db2.gz LMWGPYVEEHCKJR-CQSZACIVSA-N -1 3 356.422 2.666 20 10 FFCDHM Cn1ccnc1[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1F ZINC001220802475 1034407021 /nfs/dbraw/zinc/40/70/21/1034407021.db2.gz SBBXLFVABRWSSB-QGZVFWFLSA-N -1 3 372.375 2.993 20 10 FFCDHM O=C(C[C@H]1[C@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]12)NCc1ccco1 ZINC001139683008 1035196747 /nfs/dbraw/zinc/19/67/47/1035196747.db2.gz DUKHLPOZBISXCU-BTTYYORXSA-N -1 3 362.376 2.648 20 10 FFCDHM CC(C)CC(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140100888 1035342174 /nfs/dbraw/zinc/34/21/74/1035342174.db2.gz FEUZXOPFUZDZAW-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2OCCN(Cc3c([O-])cccc3Cl)[C@@H]2C1 ZINC001140338085 1035442930 /nfs/dbraw/zinc/44/29/30/1035442930.db2.gz ULJJOJKIDKMEDV-GDBMZVCRSA-N -1 3 368.861 2.866 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1 ZINC000834899313 1035471487 /nfs/dbraw/zinc/47/14/87/1035471487.db2.gz UVLFUVRCLPJDNB-BBATYDOGSA-N -1 3 356.378 2.577 20 10 FFCDHM COC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2ncn(C)c21 ZINC001232267876 1035537333 /nfs/dbraw/zinc/53/73/33/1035537333.db2.gz KGQGQOBMONHUEF-LBPRGKRZSA-N -1 3 351.834 2.534 20 10 FFCDHM CC[C@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001277214970 1035586935 /nfs/dbraw/zinc/58/69/35/1035586935.db2.gz UVQBQJOZKLQBFE-ZDUSSCGKSA-N -1 3 352.862 2.566 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC2(C1)CCCCO2 ZINC001232976733 1036211140 /nfs/dbraw/zinc/21/11/40/1036211140.db2.gz UMUSEOVGQVZUCD-UHFFFAOYSA-N -1 3 359.207 2.752 20 10 FFCDHM CCOC(=O)c1nc2c(s1)CCN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233076529 1036324229 /nfs/dbraw/zinc/32/42/29/1036324229.db2.gz QCNFDDUCZAYOLM-UHFFFAOYSA-N -1 3 368.405 2.904 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](CCO)C2)c1 ZINC001233308096 1036514227 /nfs/dbraw/zinc/51/42/27/1036514227.db2.gz BVSLNYNDBKOIGB-LLVKDONJSA-N -1 3 372.259 2.536 20 10 FFCDHM COC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2cn(C)nc21 ZINC001233416306 1036611595 /nfs/dbraw/zinc/61/15/95/1036611595.db2.gz CUVZGJCDYDWDFA-CYBMUJFWSA-N -1 3 355.360 2.890 20 10 FFCDHM CC(=O)c1cc(O)c([O-])cc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001234474951 1037054666 /nfs/dbraw/zinc/05/46/66/1037054666.db2.gz AODNTKLDRNTTHS-QGZVFWFLSA-N -1 3 371.433 2.970 20 10 FFCDHM CCOC(=O)[C@H](CC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234754210 1037169736 /nfs/dbraw/zinc/16/97/36/1037169736.db2.gz VRCVXKPFAJGEDH-ZDUSSCGKSA-N -1 3 374.345 2.784 20 10 FFCDHM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001207242337 1037274097 /nfs/dbraw/zinc/27/40/97/1037274097.db2.gz CALYJTFCEOWPMH-CYBMUJFWSA-N -1 3 354.731 2.828 20 10 FFCDHM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001207242337 1037274111 /nfs/dbraw/zinc/27/41/11/1037274111.db2.gz CALYJTFCEOWPMH-CYBMUJFWSA-N -1 3 354.731 2.828 20 10 FFCDHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC001207242337 1037274124 /nfs/dbraw/zinc/27/41/24/1037274124.db2.gz CALYJTFCEOWPMH-CYBMUJFWSA-N -1 3 354.731 2.828 20 10 FFCDHM O=C1OCCC12CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235067191 1037339726 /nfs/dbraw/zinc/33/97/26/1037339726.db2.gz RZGSMZDLYRVUBZ-UHFFFAOYSA-N -1 3 358.207 2.823 20 10 FFCDHM CN1CC2(CC1=O)CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235305005 1037463380 /nfs/dbraw/zinc/46/33/80/1037463380.db2.gz IKQBTCYAYXAZNL-UHFFFAOYSA-N -1 3 371.250 2.738 20 10 FFCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446360 1037586583 /nfs/dbraw/zinc/58/65/83/1037586583.db2.gz HOXUWSPKRRHLCY-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446360 1037586596 /nfs/dbraw/zinc/58/65/96/1037586596.db2.gz HOXUWSPKRRHLCY-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM O=C([O-])c1ccc(CN2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001231451833 1037593154 /nfs/dbraw/zinc/59/31/54/1037593154.db2.gz WLVFOISRDWNXAC-UHFFFAOYSA-N -1 3 353.378 2.554 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2nnn(C)c21 ZINC001231867565 1037964579 /nfs/dbraw/zinc/96/45/79/1037964579.db2.gz OKVGGGIGJYVESK-ZDUSSCGKSA-N -1 3 350.850 2.618 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001236669558 1038183145 /nfs/dbraw/zinc/18/31/45/1038183145.db2.gz OUHMPNIUGUFDCG-OAHLLOKOSA-N -1 3 355.232 2.538 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001236671727 1038185370 /nfs/dbraw/zinc/18/53/70/1038185370.db2.gz WPFITEVZHMIWAU-CYBMUJFWSA-N -1 3 364.243 2.906 20 10 FFCDHM CCOC[C@@H]1Cn2nccc2CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236797977 1038276173 /nfs/dbraw/zinc/27/61/73/1038276173.db2.gz RGFBWPAKWUYWAX-ZDUSSCGKSA-N -1 3 365.861 2.919 20 10 FFCDHM CCN(C)C(=O)CO[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236819609 1038290515 /nfs/dbraw/zinc/29/05/15/1038290515.db2.gz XKXQLVVKAQECBX-CQSZACIVSA-N -1 3 370.877 2.514 20 10 FFCDHM CCCCOC[C@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001252520805 1039578850 /nfs/dbraw/zinc/57/88/50/1039578850.db2.gz PTEPLVCRODJORL-CYBMUJFWSA-N -1 3 369.417 2.757 20 10 FFCDHM CN1CCN(c2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)c2)CC1 ZINC001259311261 1039902070 /nfs/dbraw/zinc/90/20/70/1039902070.db2.gz NLWKVSUOMCVCPW-UHFFFAOYSA-N -1 3 367.421 2.517 20 10 FFCDHM COC1(CC(=O)N2CCC23CN(Cc2ccc(Cl)cc2[O-])C3)CCC1 ZINC001278554155 1041130376 /nfs/dbraw/zinc/13/03/76/1041130376.db2.gz NVKUKPKPTLVYRQ-UHFFFAOYSA-N -1 3 364.873 2.792 20 10 FFCDHM COc1ncc(-c2noc(-c3cccc(O)c3[O-])n2)cc1Br ZINC001215145756 1041678643 /nfs/dbraw/zinc/67/86/43/1041678643.db2.gz HJICIZFRTLGRRT-UHFFFAOYSA-N -1 3 364.155 2.981 20 10 FFCDHM COc1cc(Br)cnc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145778 1041678944 /nfs/dbraw/zinc/67/89/44/1041678944.db2.gz INXOFECDWRLEMA-UHFFFAOYSA-N -1 3 364.155 2.981 20 10 FFCDHM COC[C@@H]1CCCCN1Cc1cccc(I)c1[O-] ZINC001237776756 1043351747 /nfs/dbraw/zinc/35/17/47/1043351747.db2.gz LBIJELHRFIVKKL-LBPRGKRZSA-N -1 3 361.223 2.998 20 10 FFCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001279684285 1043463821 /nfs/dbraw/zinc/46/38/21/1043463821.db2.gz PGMPRCDUQWPRCH-WBVHZDCISA-N -1 3 365.836 2.598 20 10 FFCDHM CN(C)C(=O)c1n[nH]c2c1CN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001279976386 1044021231 /nfs/dbraw/zinc/02/12/31/1044021231.db2.gz URBODEKEJQNAJJ-UHFFFAOYSA-N -1 3 369.252 2.682 20 10 FFCDHM CN(C(=O)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F)C1CC(F)(F)C1 ZINC001280009581 1044083632 /nfs/dbraw/zinc/08/36/32/1044083632.db2.gz VATIBCIQFQGGST-ZMZPIMSZSA-N -1 3 354.372 2.752 20 10 FFCDHM CN(C(=O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F)C1CC(F)(F)C1 ZINC001280009574 1044085007 /nfs/dbraw/zinc/08/50/07/1044085007.db2.gz VATIBCIQFQGGST-BBATYDOGSA-N -1 3 354.372 2.752 20 10 FFCDHM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1[O-] ZINC001324919490 1046289891 /nfs/dbraw/zinc/28/98/91/1046289891.db2.gz NUFIVLGKNBTCDO-AWEZNQCLSA-N -1 3 363.797 2.655 20 10 FFCDHM O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(O)c1[O-] ZINC001540479923 1070902908 /nfs/dbraw/zinc/90/29/08/1070902908.db2.gz FZLOXZKRBXVGGR-UHFFFAOYSA-N -1 3 366.167 2.884 20 10 FFCDHM O=C(NCc1ccc(NC(=O)C2CC2)cc1)NCc1c([O-])cccc1F ZINC001332267829 1048327207 /nfs/dbraw/zinc/32/72/07/1048327207.db2.gz YLTWOFNHOVIREG-UHFFFAOYSA-N -1 3 357.385 2.879 20 10 FFCDHM CO[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC[C@H]1C ZINC001340095651 1050499366 /nfs/dbraw/zinc/49/93/66/1050499366.db2.gz NDUIPDRVXPUECE-ZYHUDNBSSA-N -1 3 359.455 2.659 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCO[C@](C)(C2CC2)C1 ZINC001340096294 1050501259 /nfs/dbraw/zinc/50/12/59/1050501259.db2.gz YXTKQVCERNKXJX-SFHVURJKSA-N -1 3 371.466 2.803 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC001302164144 1051051982 /nfs/dbraw/zinc/05/19/82/1051051982.db2.gz IRUWYGPSJCKPAZ-JOCQHMNTSA-N -1 3 364.442 2.911 20 10 FFCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])c(=O)n(C2CCCCC2)n1C ZINC001300203263 1056099487 /nfs/dbraw/zinc/09/94/87/1056099487.db2.gz IYQBSQKDSMOXHU-UHFFFAOYSA-N -1 3 359.426 2.972 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1nnn(-c2ccccc2)c1C(F)F ZINC001456029378 1059990656 /nfs/dbraw/zinc/99/06/56/1059990656.db2.gz MXUVNVVWNHRONJ-UHFFFAOYSA-N -1 3 362.311 2.980 20 10 FFCDHM COC(=O)c1ccc(CNCc2cc(Br)cc(F)c2[O-])o1 ZINC001462203365 1061536561 /nfs/dbraw/zinc/53/65/61/1061536561.db2.gz WVZZXISLMRSHNI-UHFFFAOYSA-N -1 3 358.163 2.963 20 10 FFCDHM Cc1cc([O-])c(CN2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)c(Cl)c1 ZINC001581040181 1078908855 /nfs/dbraw/zinc/90/88/55/1078908855.db2.gz DFMIGMFZLMIWIN-UHFFFAOYSA-N -1 3 371.828 2.797 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001567465681 1077029916 /nfs/dbraw/zinc/02/99/16/1077029916.db2.gz XSVTXKWBNOHTMD-AWEZNQCLSA-N -1 3 355.312 2.663 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3cccc(Cl)c3C2)c1 ZINC000377109405 512127595 /nfs/dbraw/zinc/12/75/95/512127595.db2.gz CCSSMXBBCBMPKK-UHFFFAOYSA-N -1 3 366.826 2.573 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)Nc2nccs2)c1[O-] ZINC000079434872 507961757 /nfs/dbraw/zinc/96/17/57/507961757.db2.gz BRXFOWFOAWOQTR-CQSZACIVSA-N -1 3 363.414 2.794 20 10 FFCDHM Cn1cnnc1C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000091794735 508013771 /nfs/dbraw/zinc/01/37/71/508013771.db2.gz AKGPARBPVVMHDC-UHFFFAOYSA-N -1 3 351.248 2.663 20 10 FFCDHM CCCN(Cc1csc(CS(C)(=O)=O)n1)Cc1ccccc1[O-] ZINC000076073933 508156095 /nfs/dbraw/zinc/15/60/95/508156095.db2.gz HGTYUXKIAGEOQF-UHFFFAOYSA-N -1 3 354.497 2.806 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000094020201 508164273 /nfs/dbraw/zinc/16/42/73/508164273.db2.gz BCUQPYIYCHYMDL-INIZCTEOSA-N -1 3 366.483 2.949 20 10 FFCDHM O=C(NC1CCN(Cc2cc(Cl)ccc2[O-])CC1)C1CCOCC1 ZINC000120082197 508923965 /nfs/dbraw/zinc/92/39/65/508923965.db2.gz QHULBQUXXOMWHZ-UHFFFAOYSA-N -1 3 352.862 2.553 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179113082 509269569 /nfs/dbraw/zinc/26/95/69/509269569.db2.gz KGCBSECHSYNELQ-UHFFFAOYSA-N -1 3 362.433 2.684 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1O ZINC000179491483 509476712 /nfs/dbraw/zinc/47/67/12/509476712.db2.gz SRVSWOCOOHAOMQ-OAHLLOKOSA-N -1 3 374.824 2.937 20 10 FFCDHM COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000186050024 509499365 /nfs/dbraw/zinc/49/93/65/509499365.db2.gz BFVBUADTESFAMO-UGSOOPFHSA-N -1 3 358.413 2.992 20 10 FFCDHM Cc1cc(Br)cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000179710524 509584793 /nfs/dbraw/zinc/58/47/93/509584793.db2.gz OZVFGGXEUKIJHS-CQSZACIVSA-N -1 3 374.300 2.615 20 10 FFCDHM C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193000280 509731354 /nfs/dbraw/zinc/73/13/54/509731354.db2.gz HKOYKTGJEXYKOE-LKFCYVNXSA-N -1 3 369.252 2.889 20 10 FFCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2cccnc2)no1 ZINC000193003223 509732536 /nfs/dbraw/zinc/73/25/36/509732536.db2.gz CAGNAZHBJAYLEJ-AWEZNQCLSA-N -1 3 354.366 2.670 20 10 FFCDHM COc1cccc([C@H](C)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000193021161 509739910 /nfs/dbraw/zinc/73/99/10/509739910.db2.gz XUXVSCQEWJQNLF-AWEZNQCLSA-N -1 3 356.422 2.625 20 10 FFCDHM CN1CCN(C(=O)c2ccc(CNCc3c([O-])cccc3Cl)cc2)CC1 ZINC000264989241 509811595 /nfs/dbraw/zinc/81/15/95/509811595.db2.gz WRJWBLSWWAZQGL-UHFFFAOYSA-N -1 3 373.884 2.723 20 10 FFCDHM CCCOc1ccc(CN2CCS(=O)(=O)c3ccccc3C2)c([O-])c1 ZINC000187688051 510388419 /nfs/dbraw/zinc/38/84/19/510388419.db2.gz PDHGNISUQMZHHH-UHFFFAOYSA-N -1 3 361.463 2.971 20 10 FFCDHM Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187863608 510475579 /nfs/dbraw/zinc/47/55/79/510475579.db2.gz SESRUTHAUXTJHL-SMDDNHRTSA-N -1 3 364.396 2.559 20 10 FFCDHM COC(=O)CN(Cc1cn(C(C)(C)C)nn1)Cc1cc(Cl)ccc1[O-] ZINC000191345618 510615385 /nfs/dbraw/zinc/61/53/85/510615385.db2.gz MRCLKBPJNIKRKY-UHFFFAOYSA-N -1 3 366.849 2.567 20 10 FFCDHM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000181850787 510626092 /nfs/dbraw/zinc/62/60/92/510626092.db2.gz FVHMUZZMOPHBPL-UHFFFAOYSA-N -1 3 368.433 2.703 20 10 FFCDHM CCOC(=O)NCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175847359 510820572 /nfs/dbraw/zinc/82/05/72/510820572.db2.gz FIUQCCXASMVCMV-UHFFFAOYSA-N -1 3 373.247 2.639 20 10 FFCDHM CCC1(CC)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000188591811 510837346 /nfs/dbraw/zinc/83/73/46/510837346.db2.gz LGBXASWFFYOCBJ-UHFFFAOYSA-N -1 3 354.472 2.806 20 10 FFCDHM CC(C)(C)C1=CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000270573553 510910736 /nfs/dbraw/zinc/91/07/36/510910736.db2.gz HGLSWUSREYREMO-UHFFFAOYSA-N -1 3 352.456 2.582 20 10 FFCDHM C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276988426 510951300 /nfs/dbraw/zinc/95/13/00/510951300.db2.gz XCLCXJNRXQXSFB-LBPRGKRZSA-N -1 3 355.406 2.936 20 10 FFCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000278273993 510987025 /nfs/dbraw/zinc/98/70/25/510987025.db2.gz HUOFJYXRJOSAHJ-VXGBXAGGSA-N -1 3 350.415 2.616 20 10 FFCDHM CCNC(=O)c1ccc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278642609 511002056 /nfs/dbraw/zinc/00/20/56/511002056.db2.gz HZSWWMFZUPXTFQ-UHFFFAOYSA-N -1 3 359.382 2.979 20 10 FFCDHM COc1cc(OC)c(OC)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278891999 511013196 /nfs/dbraw/zinc/01/31/96/511013196.db2.gz PUYIPMIDROQUBB-UHFFFAOYSA-N -1 3 364.354 2.947 20 10 FFCDHM Cc1cc(Cl)cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1[O-] ZINC000282801564 511116311 /nfs/dbraw/zinc/11/63/11/511116311.db2.gz RYNWNTYNZQZXEH-UHFFFAOYSA-N -1 3 372.918 2.744 20 10 FFCDHM COc1c([O-])c(CN2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000290269719 511132385 /nfs/dbraw/zinc/13/23/85/511132385.db2.gz XTXPNINUGZWSDB-UHFFFAOYSA-N -1 3 358.350 2.682 20 10 FFCDHM COCCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccc(OC)c(OC)c1 ZINC000271327529 511164234 /nfs/dbraw/zinc/16/42/34/511164234.db2.gz YNFIGTXWWQVCDC-UHFFFAOYSA-N -1 3 361.394 2.717 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c([O-])c1O ZINC000271327528 511164283 /nfs/dbraw/zinc/16/42/83/511164283.db2.gz YNEAEVQLOKNSLE-UHFFFAOYSA-N -1 3 370.405 2.603 20 10 FFCDHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272252195 511480267 /nfs/dbraw/zinc/48/02/67/511480267.db2.gz IMGDMNBDZYSWRK-UHFFFAOYSA-N -1 3 359.401 2.950 20 10 FFCDHM O=S(=O)(NC1CCN(Cc2cccc(F)c2[O-])CC1)c1cccs1 ZINC000272320791 511490657 /nfs/dbraw/zinc/49/06/57/511490657.db2.gz UFMALEGVCMYSQF-UHFFFAOYSA-N -1 3 370.471 2.536 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231947 511691832 /nfs/dbraw/zinc/69/18/32/511691832.db2.gz FVOLKPZRJHYFRM-CYBMUJFWSA-N -1 3 358.833 2.788 20 10 FFCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2ccncc2)no1 ZINC000366073633 511823678 /nfs/dbraw/zinc/82/36/78/511823678.db2.gz PDPPKVQKAPCANF-AWEZNQCLSA-N -1 3 354.366 2.670 20 10 FFCDHM CN1CCC2(CCN(Cc3cc(Br)ccc3[O-])CC2)C1=O ZINC000376057369 512639774 /nfs/dbraw/zinc/63/97/74/512639774.db2.gz YVPPBPDVSUEFFD-UHFFFAOYSA-N -1 3 353.260 2.599 20 10 FFCDHM C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378429811 512755003 /nfs/dbraw/zinc/75/50/03/512755003.db2.gz TWLLJQOCNHBUBM-APHBMKBZSA-N -1 3 352.862 2.551 20 10 FFCDHM COc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(O)c3[O-])n2)c1 ZINC000372478795 512896551 /nfs/dbraw/zinc/89/65/51/512896551.db2.gz WPBWQSHOIPLITK-JTQLQIEISA-N -1 3 355.350 2.647 20 10 FFCDHM O=S(=O)([N-]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1 ZINC000370444705 512938011 /nfs/dbraw/zinc/93/80/11/512938011.db2.gz NKZSFZVMRPOCJK-UHFFFAOYSA-N -1 3 372.393 2.828 20 10 FFCDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCSc1nccs1 ZINC000738357116 598896613 /nfs/dbraw/zinc/89/66/13/598896613.db2.gz BVAWCKGLOZGLOP-UHFFFAOYSA-N -1 3 363.428 2.826 20 10 FFCDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCSc1nccs1 ZINC000738357116 598896615 /nfs/dbraw/zinc/89/66/15/598896615.db2.gz BVAWCKGLOZGLOP-UHFFFAOYSA-N -1 3 363.428 2.826 20 10 FFCDHM Cc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737394196 598320923 /nfs/dbraw/zinc/32/09/23/598320923.db2.gz PNXKWMGRMGWYTI-UHFFFAOYSA-N -1 3 359.846 2.710 20 10 FFCDHM Cc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737394196 598320925 /nfs/dbraw/zinc/32/09/25/598320925.db2.gz PNXKWMGRMGWYTI-UHFFFAOYSA-N -1 3 359.846 2.710 20 10 FFCDHM Cc1cc(C(=O)N2C[C@H]3CCC[C@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233342 599573490 /nfs/dbraw/zinc/57/34/90/599573490.db2.gz DQVFXRIZWSEGEX-CRAIPNDOSA-N -1 3 362.437 2.899 20 10 FFCDHM COc1ccc(N(C)Cc2cn3ccccc3c2-c2nnn[n-]2)cc1F ZINC000821828413 606881408 /nfs/dbraw/zinc/88/14/08/606881408.db2.gz VJSCPKQEPNTAMO-UHFFFAOYSA-N -1 3 352.373 2.904 20 10 FFCDHM COc1ccc(N(C)Cc2cn3ccccc3c2-c2nn[n-]n2)cc1F ZINC000821828413 606881410 /nfs/dbraw/zinc/88/14/10/606881410.db2.gz VJSCPKQEPNTAMO-UHFFFAOYSA-N -1 3 352.373 2.904 20 10 FFCDHM COc1ccc(N(C)CCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821827701 606881909 /nfs/dbraw/zinc/88/19/09/606881909.db2.gz ITVINFPSYGKWKA-UHFFFAOYSA-N -1 3 357.389 2.920 20 10 FFCDHM CN(Cc1c(O)ccc2ccncc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000825953981 607848278 /nfs/dbraw/zinc/84/82/78/607848278.db2.gz UVVMKHNJDJBDRF-UHFFFAOYSA-N -1 3 350.357 2.896 20 10 FFCDHM CCCCn1nnnc1CN(CC)Cc1cc(Br)ccc1[O-] ZINC000743870916 735323305 /nfs/dbraw/zinc/32/33/05/735323305.db2.gz HHUMUFWOPXCMLW-UHFFFAOYSA-N -1 3 368.279 2.963 20 10 FFCDHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1C ZINC000041374265 727939927 /nfs/dbraw/zinc/93/99/27/727939927.db2.gz CWYZIYJUPMBJDX-UHFFFAOYSA-N -1 3 362.451 2.641 20 10 FFCDHM CC(C)OCCN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093586649 728476644 /nfs/dbraw/zinc/47/66/44/728476644.db2.gz AOAFAQDFAMIRHS-UHFFFAOYSA-N -1 3 357.292 2.697 20 10 FFCDHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093909082 728478254 /nfs/dbraw/zinc/47/82/54/728478254.db2.gz FFRRXWCNSIDIHT-NSHDSACASA-N -1 3 366.414 2.736 20 10 FFCDHM CC(C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000114800156 728563009 /nfs/dbraw/zinc/56/30/09/728563009.db2.gz WTJCGWYYBASNTJ-ZDUSSCGKSA-N -1 3 354.472 2.662 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000382456390 729834566 /nfs/dbraw/zinc/83/45/66/729834566.db2.gz COTZMJQYBUOGLQ-MRXNPFEDSA-N -1 3 352.862 2.545 20 10 FFCDHM O=C(c1ccco1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862212522 730676654 /nfs/dbraw/zinc/67/66/54/730676654.db2.gz SVPNGXOAQQOVKN-UHFFFAOYSA-N -1 3 365.227 2.706 20 10 FFCDHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1c([O-])cccc1Br ZINC000862338222 730689721 /nfs/dbraw/zinc/68/97/21/730689721.db2.gz MYUCPDFFDVPHND-ZETOZRRWSA-N -1 3 354.244 2.928 20 10 FFCDHM CC1(C)CCC(C)(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000862967350 730738624 /nfs/dbraw/zinc/73/86/24/730738624.db2.gz FHPPWPYHWHHWKD-UHFFFAOYSA-N -1 3 354.472 2.852 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000878874073 732607342 /nfs/dbraw/zinc/60/73/42/732607342.db2.gz FKVXHADZLFKLNE-INIZCTEOSA-N -1 3 365.861 2.831 20 10 FFCDHM NC(=O)CC[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893981860 734781482 /nfs/dbraw/zinc/78/14/82/734781482.db2.gz XEHPZNBHZWPAQU-SNVBAGLBSA-N -1 3 359.239 2.771 20 10 FFCDHM NC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894077113 734797469 /nfs/dbraw/zinc/79/74/69/734797469.db2.gz WXUAKBNXLOKYLX-VIFPVBQESA-N -1 3 361.667 2.896 20 10 FFCDHM C[C@H]1CCC[C@@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000734558771 734902791 /nfs/dbraw/zinc/90/27/91/734902791.db2.gz WVLXZWPFHPNADB-STQMWFEESA-N -1 3 354.472 2.710 20 10 FFCDHM C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Br)cc(F)c1[O-] ZINC000894747204 734909203 /nfs/dbraw/zinc/90/92/03/734909203.db2.gz IRWFWFNGGILBRF-RISCZKNCSA-N -1 3 373.266 2.589 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)C1CCCCC1 ZINC000789348117 739340540 /nfs/dbraw/zinc/34/05/40/739340540.db2.gz JUVIWFKEXSMLSQ-QGZVFWFLSA-N -1 3 355.862 2.962 20 10 FFCDHM COc1nn(C)cc1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000903338900 736077391 /nfs/dbraw/zinc/07/73/91/736077391.db2.gz UOEPVOGATBGZQX-MRVPVSSYSA-N -1 3 358.211 2.887 20 10 FFCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(OCC(F)(F)F)nc1 ZINC000758169265 736458077 /nfs/dbraw/zinc/45/80/77/736458077.db2.gz NCRMPRVEVFTHRO-UHFFFAOYSA-N -1 3 366.292 2.668 20 10 FFCDHM C[C@@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)N1CCCCCC1 ZINC000911360164 737195039 /nfs/dbraw/zinc/19/50/39/737195039.db2.gz MZLVYPAKWZQDQL-ZDUSSCGKSA-N -1 3 368.861 2.723 20 10 FFCDHM CCC1CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000921075747 737943733 /nfs/dbraw/zinc/94/37/33/737943733.db2.gz JYRWMTQTACIIBT-UHFFFAOYSA-N -1 3 354.472 2.710 20 10 FFCDHM CC[C@H](NCc1nnnn1C1CC1)c1cc(Br)ccc1[O-] ZINC000775528364 738099790 /nfs/dbraw/zinc/09/97/90/738099790.db2.gz XPJSHJSCPKHCTE-LBPRGKRZSA-N -1 3 352.236 2.717 20 10 FFCDHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(Br)c1[O-] ZINC000776015151 738152736 /nfs/dbraw/zinc/15/27/36/738152736.db2.gz UNSXTMKEMNQYIZ-STQMWFEESA-N -1 3 372.259 2.697 20 10 FFCDHM Cc1ccc([C@](O)(CC(=O)NCc2c([O-])cccc2F)C(F)(F)F)o1 ZINC000928705612 738897816 /nfs/dbraw/zinc/89/78/16/738897816.db2.gz MBSQVHCINWJRNZ-OAHLLOKOSA-N -1 3 361.291 2.889 20 10 FFCDHM COCCN(Cc1scnc1C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787310673 739126085 /nfs/dbraw/zinc/12/60/85/739126085.db2.gz QOOKCQIGILJOEJ-UHFFFAOYSA-N -1 3 367.427 2.723 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000787765815 739168470 /nfs/dbraw/zinc/16/84/70/739168470.db2.gz FLUCPTXPGOVYCS-HNNXBMFYSA-N -1 3 366.259 2.823 20 10 FFCDHM CN1CCN(Cc2cc(Cl)ccc2[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604946 739798814 /nfs/dbraw/zinc/79/88/14/739798814.db2.gz SVHXSUZWCRHKQI-OAHLLOKOSA-N -1 3 369.893 2.686 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000799090609 740387566 /nfs/dbraw/zinc/38/75/66/740387566.db2.gz MBDQWZAYMFUVTD-CYBMUJFWSA-N -1 3 352.431 2.767 20 10 FFCDHM CC[C@](NC(=O)c1cccc(O)c1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000804548943 740883470 /nfs/dbraw/zinc/88/34/70/740883470.db2.gz RXULHAZKDSTJGZ-GOSISDBHSA-N -1 3 363.797 2.960 20 10 FFCDHM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809708819 741334939 /nfs/dbraw/zinc/33/49/39/741334939.db2.gz HZXRSNLOOILSME-HUUCEWRRSA-N -1 3 368.861 2.915 20 10 FFCDHM COC(=O)c1cc(C(C)(C)NCc2cc(Br)ccc2[O-])no1 ZINC000810166135 741394148 /nfs/dbraw/zinc/39/41/48/741394148.db2.gz MEBWLTZNJLNCGG-UHFFFAOYSA-N -1 3 369.215 2.954 20 10 FFCDHM CN(C)S(=O)(=O)c1cccc(CNCc2cc(Cl)cc(F)c2[O-])c1 ZINC000824739534 743140075 /nfs/dbraw/zinc/14/00/75/743140075.db2.gz ZZEWVOVEMZXWSQ-UHFFFAOYSA-N -1 3 372.849 2.725 20 10 FFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@H](C2CCC2)C1 ZINC000826121791 743369049 /nfs/dbraw/zinc/36/90/49/743369049.db2.gz UXEIEKKISLEHDV-AWEZNQCLSA-N -1 3 374.300 2.554 20 10 FFCDHM COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1-c1nnn[n-]1 ZINC000826202897 743372472 /nfs/dbraw/zinc/37/24/72/743372472.db2.gz RVZBEZXYMUUJPX-UHFFFAOYSA-N -1 3 363.780 2.663 20 10 FFCDHM COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1-c1nn[n-]n1 ZINC000826202897 743372478 /nfs/dbraw/zinc/37/24/78/743372478.db2.gz RVZBEZXYMUUJPX-UHFFFAOYSA-N -1 3 363.780 2.663 20 10 FFCDHM [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826510722 743389502 /nfs/dbraw/zinc/38/95/02/743389502.db2.gz HNYVUDVABZNOLY-UHFFFAOYSA-N -1 3 363.780 2.533 20 10 FFCDHM CNC(=O)[C@@H]1Cc2ccccc2N1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000852073234 749767555 /nfs/dbraw/zinc/76/75/55/749767555.db2.gz COYFIONMVLUURZ-KRWDZBQOSA-N -1 3 358.825 2.926 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(F)CN(Cc3c([O-])cccc3Cl)C[C@@]2(F)C1=O ZINC001275837016 1013057592 /nfs/dbraw/zinc/05/75/92/1013057592.db2.gz KRJZGOFIXBHBLC-MZPVMMEZSA-N -1 3 358.816 2.919 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c([O-])c(F)c2)N(C)C)cc1 ZINC000891249119 962591750 /nfs/dbraw/zinc/59/17/50/962591750.db2.gz QDWBJLKTYRCIFN-KRWDZBQOSA-N -1 3 363.408 2.769 20 10 FFCDHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2cc(F)c(F)cc2[O-])n(C)n1 ZINC001279108725 964070725 /nfs/dbraw/zinc/07/07/25/964070725.db2.gz VUYOEAGBEOYIGR-ROUUACIJSA-N -1 3 362.424 2.561 20 10 FFCDHM C[C@@](CC(=O)[O-])(NCc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC001592327445 977740678 /nfs/dbraw/zinc/74/06/78/977740678.db2.gz BBVLLIKYQKVGNC-NRFANRHFSA-N -1 3 369.465 2.522 20 10 FFCDHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cccc(O)c1[O-] ZINC000760660099 984323926 /nfs/dbraw/zinc/32/39/26/984323926.db2.gz PTULDGIJWXESLJ-YLJYHZDGSA-N -1 3 359.397 2.741 20 10 FFCDHM COCCCOc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC000921593754 985409954 /nfs/dbraw/zinc/40/99/54/985409954.db2.gz CIPADESQFTWYAT-UHFFFAOYSA-N -1 3 362.401 2.946 20 10 FFCDHM CCOCCO[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001596938299 986060549 /nfs/dbraw/zinc/06/05/49/986060549.db2.gz NDJSJMCMUDZQCB-AWEZNQCLSA-N -1 3 364.417 2.643 20 10 FFCDHM [O-]c1c(CNc2nccnc2N2CCOCC2)cc(Cl)c2cccnc12 ZINC001168521804 990000076 /nfs/dbraw/zinc/00/00/76/990000076.db2.gz LAGBEFBNWTVFSZ-UHFFFAOYSA-N -1 3 371.828 2.833 20 10 FFCDHM COc1ccc(N2CC[C@H](CNC(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC000922950453 990763703 /nfs/dbraw/zinc/76/37/03/990763703.db2.gz LNEKUNROVFZVLK-CQSZACIVSA-N -1 3 373.428 2.866 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC(c2cccnc2)C1 ZINC001237782034 992716281 /nfs/dbraw/zinc/71/62/81/992716281.db2.gz CUTKLOVPHZKQLV-UHFFFAOYSA-N -1 3 366.202 2.991 20 10 FFCDHM CNC(=O)Nc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1F ZINC000809699353 994572683 /nfs/dbraw/zinc/57/26/83/994572683.db2.gz QROBEQBKJLNCMU-UHFFFAOYSA-N -1 3 364.333 2.812 20 10 FFCDHM COc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1F ZINC000826777965 1016063808 /nfs/dbraw/zinc/06/38/08/1016063808.db2.gz NBQQDJXAWMPAOQ-UHFFFAOYSA-N -1 3 362.376 2.570 20 10 FFCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1[O-] ZINC001599420406 997584195 /nfs/dbraw/zinc/58/41/95/997584195.db2.gz GOGQWFJTFKOHOO-GOSISDBHSA-N -1 3 369.845 2.636 20 10 FFCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1[O-] ZINC001599420406 997584204 /nfs/dbraw/zinc/58/42/04/997584204.db2.gz GOGQWFJTFKOHOO-GOSISDBHSA-N -1 3 369.845 2.636 20 10 FFCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000844033858 997613245 /nfs/dbraw/zinc/61/32/45/997613245.db2.gz FTUCCNRLONJPKA-JHJVBQTASA-N -1 3 364.442 2.956 20 10 FFCDHM O=C1CCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)O1 ZINC001144306638 998301956 /nfs/dbraw/zinc/30/19/56/998301956.db2.gz KHLMSAZILZETTA-UHFFFAOYSA-N -1 3 358.207 2.965 20 10 FFCDHM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCN(CC2CCCCC2)CC1 ZINC001147878778 1001000994 /nfs/dbraw/zinc/00/09/94/1001000994.db2.gz SEXKCVCVOXWCMS-UHFFFAOYSA-N -1 3 368.481 2.504 20 10 FFCDHM COCCCOc1ccc(F)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588668 1001176839 /nfs/dbraw/zinc/17/68/39/1001176839.db2.gz ZLMOHWJPKAHQGF-UHFFFAOYSA-N -1 3 351.330 2.610 20 10 FFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000790874585 1002504307 /nfs/dbraw/zinc/50/43/07/1002504307.db2.gz SDCZIINBEUXQML-LBPRGKRZSA-N -1 3 374.412 2.689 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000790935135 1002514936 /nfs/dbraw/zinc/51/49/36/1002514936.db2.gz VDBSAOLJZGIRGQ-IBGZPJMESA-N -1 3 362.426 2.571 20 10 FFCDHM COc1c([O-])c(CN2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000774820708 1002809241 /nfs/dbraw/zinc/80/92/41/1002809241.db2.gz MZUFKSCQNGDAEJ-UHFFFAOYSA-N -1 3 361.373 2.770 20 10 FFCDHM O=C(N1CCCC1)C12CC(C1)CN2Cc1cc(Br)ccc1[O-] ZINC001203642387 1003371498 /nfs/dbraw/zinc/37/14/98/1003371498.db2.gz IHJMBHJNAJCSKW-UHFFFAOYSA-N -1 3 365.271 2.742 20 10 FFCDHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186829429 1003446303 /nfs/dbraw/zinc/44/63/03/1003446303.db2.gz LZSQNELQMSDRFN-UHFFFAOYSA-N -1 3 368.393 2.952 20 10 FFCDHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186829429 1003446309 /nfs/dbraw/zinc/44/63/09/1003446309.db2.gz LZSQNELQMSDRFN-UHFFFAOYSA-N -1 3 368.393 2.952 20 10 FFCDHM O=S(=O)(CC1CCC1)Nc1ccc([O-])c(I)c1 ZINC001193513507 1004506653 /nfs/dbraw/zinc/50/66/53/1004506653.db2.gz BUPNLKIVEQIECN-UHFFFAOYSA-N -1 3 367.208 2.539 20 10 FFCDHM O=C(NCc1cccc(COC[C@H]2CCCO2)c1)c1cccc(O)c1[O-] ZINC000856353939 1007783701 /nfs/dbraw/zinc/78/37/01/1007783701.db2.gz MZLHZFUUMRJNGE-MRXNPFEDSA-N -1 3 357.406 2.723 20 10 FFCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817993523 1007840987 /nfs/dbraw/zinc/84/09/87/1007840987.db2.gz LPWWOKBHWGJTQZ-GOSISDBHSA-N -1 3 369.465 2.862 20 10 FFCDHM Cc1cccc([O-])c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000859460544 1008517363 /nfs/dbraw/zinc/51/73/63/1008517363.db2.gz TZZZYEXLFHKCHT-UHFFFAOYSA-N -1 3 354.450 2.839 20 10 FFCDHM O=C(COc1ccc(CO)cc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179663747 1009408030 /nfs/dbraw/zinc/40/80/30/1009408030.db2.gz HVXINGTVQGEXQD-UHFFFAOYSA-N -1 3 372.808 2.781 20 10 FFCDHM NC(=O)c1cccc2c1CCN(Cc1ccc(Br)cc1[O-])C2 ZINC001206799325 1032433142 /nfs/dbraw/zinc/43/31/42/1032433142.db2.gz DKKZIHGXNJYLMM-UHFFFAOYSA-N -1 3 361.239 2.812 20 10 FFCDHM COc1c([O-])c(CNCc2cccc3c2OC(F)(F)O3)ccc1[N+](=O)[O-] ZINC000827757561 1018641804 /nfs/dbraw/zinc/64/18/04/1018641804.db2.gz DXDMIFYJSSTEIY-UHFFFAOYSA-N -1 3 368.292 2.920 20 10 FFCDHM CC(C)(C)OC(=O)CC1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000928705006 1019082008 /nfs/dbraw/zinc/08/20/08/1019082008.db2.gz BXVMXHINHDPONF-UHFFFAOYSA-N -1 3 367.417 2.676 20 10 FFCDHM CCS(=O)(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000726963970 1020559466 /nfs/dbraw/zinc/55/94/66/1020559466.db2.gz PSNUEPLWCLTSET-UHFFFAOYSA-N -1 3 374.462 2.759 20 10 FFCDHM CC[C@H](C)N1C(=O)COCC12CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001276765421 1032916449 /nfs/dbraw/zinc/91/64/49/1032916449.db2.gz VFRRHHYEWNTKLU-LBPRGKRZSA-N -1 3 372.387 2.623 20 10 FFCDHM Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000779020332 1022657800 /nfs/dbraw/zinc/65/78/00/1022657800.db2.gz QSOGUGWSSXKAHR-MRXNPFEDSA-N -1 3 372.440 2.951 20 10 FFCDHM CC(C)(C)Oc1cccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001120974066 1023551542 /nfs/dbraw/zinc/55/15/42/1023551542.db2.gz OEVZGFJOAFLTNU-UHFFFAOYSA-N -1 3 360.385 2.964 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nncn2-c2ccccc2)c1 ZINC000756402816 1023704994 /nfs/dbraw/zinc/70/49/94/1023704994.db2.gz OPPFRIUNKZZKBG-CYBMUJFWSA-N -1 3 352.394 2.610 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(COc3ccccn3)nnc2C1 ZINC001203658371 1030810658 /nfs/dbraw/zinc/81/06/58/1030810658.db2.gz KTRFKELTIHDVJD-UHFFFAOYSA-N -1 3 371.828 2.627 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc(Cl)ccc1[O-] ZINC001203664420 1030815314 /nfs/dbraw/zinc/81/53/14/1030815314.db2.gz DZLHJUHJWKUWPS-SFHVURJKSA-N -1 3 374.868 2.905 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968047 1033867648 /nfs/dbraw/zinc/86/76/48/1033867648.db2.gz XKHPPFVJJGVXTR-KPZWWZAWSA-N -1 3 370.852 2.787 20 10 FFCDHM CCOCCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277097660 1034516896 /nfs/dbraw/zinc/51/68/96/1034516896.db2.gz JTSGDSPKWMZJLJ-LJQANCHMSA-N -1 3 368.424 2.664 20 10 FFCDHM CCOCCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277097659 1034517519 /nfs/dbraw/zinc/51/75/19/1034517519.db2.gz JTSGDSPKWMZJLJ-IBGZPJMESA-N -1 3 368.424 2.664 20 10 FFCDHM CC1=C[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC(=O)O1 ZINC001226380552 1034659461 /nfs/dbraw/zinc/65/94/61/1034659461.db2.gz YBHPKIWZPUSPOB-NSHDSACASA-N -1 3 350.326 2.766 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2ccc(O)cc2)CC1 ZINC001139127584 1034959007 /nfs/dbraw/zinc/95/90/07/1034959007.db2.gz YFVFCPFYOAWNIF-UHFFFAOYSA-N -1 3 366.417 2.835 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001140098900 1035341015 /nfs/dbraw/zinc/34/10/15/1035341015.db2.gz RONPPTLNGGLANY-NEPJUHHUSA-N -1 3 372.156 2.992 20 10 FFCDHM O=C1CN(Cc2c([O-])cccc2Br)CCN1C1CCCC1 ZINC001140101315 1035341490 /nfs/dbraw/zinc/34/14/90/1035341490.db2.gz NZJPQMBSAMOWBT-UHFFFAOYSA-N -1 3 353.260 2.742 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1)C1CC1 ZINC001140101919 1035341778 /nfs/dbraw/zinc/34/17/78/1035341778.db2.gz DOJAKLODKOLHBH-GFCCVEGCSA-N -1 3 353.260 2.645 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2cn(C)nc21 ZINC001232259908 1035530781 /nfs/dbraw/zinc/53/07/81/1035530781.db2.gz MFHIAYBGMWLTRX-CYBMUJFWSA-N -1 3 351.834 2.621 20 10 FFCDHM O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232269316 1035540141 /nfs/dbraw/zinc/54/01/41/1035540141.db2.gz ZPJBZDBKOBFOJR-AWEZNQCLSA-N -1 3 367.854 2.799 20 10 FFCDHM CCCCN1C(=O)COCC12CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001277212504 1035570616 /nfs/dbraw/zinc/57/06/16/1035570616.db2.gz JONDESSYEKQIBD-UHFFFAOYSA-N -1 3 352.862 2.567 20 10 FFCDHM CN(Cc1c([O-])cc(F)cc1F)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001140585589 1035670182 /nfs/dbraw/zinc/67/01/82/1035670182.db2.gz PBIICRHTAGRNHN-ATCWAGBWSA-N -1 3 354.397 2.968 20 10 FFCDHM CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CCN(Cc1cccc(Cl)c1[O-])CC2 ZINC001277232528 1035681537 /nfs/dbraw/zinc/68/15/37/1035681537.db2.gz SNHPJSQJOILWMP-IUODEOHRSA-N -1 3 364.873 2.741 20 10 FFCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC(OC)C3)c2)nc1C ZINC001232451761 1035697162 /nfs/dbraw/zinc/69/71/62/1035697162.db2.gz OOCXRLSQEACUDT-UHFFFAOYSA-N -1 3 362.451 2.831 20 10 FFCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Br)c(OC)cc1[O-] ZINC001233137436 1036385226 /nfs/dbraw/zinc/38/52/26/1036385226.db2.gz NJNNSIMQSLDWQO-MEDUHNTESA-N -1 3 370.243 2.691 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](C)[C@H](O)CC2)c1 ZINC001233306460 1036511438 /nfs/dbraw/zinc/51/14/38/1036511438.db2.gz RCIBZQBIKRJNPA-QMTHXVAHSA-N -1 3 372.259 2.534 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@](C)(O)[C@@H](C)C2)c1 ZINC001233306401 1036512852 /nfs/dbraw/zinc/51/28/52/1036512852.db2.gz PLRBBABXXXDGGD-MGPLVRAMSA-N -1 3 372.259 2.534 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H](OC)C[C@@H]2C)c1 ZINC001233309482 1036514786 /nfs/dbraw/zinc/51/47/86/1036514786.db2.gz LKANGEKDXBPXPU-GWCFXTLKSA-N -1 3 372.259 2.941 20 10 FFCDHM CC(=O)N1CCC[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229185716 1036537769 /nfs/dbraw/zinc/53/77/69/1036537769.db2.gz AKKPLHLVCRKIIT-ZDUSSCGKSA-N -1 3 365.385 2.557 20 10 FFCDHM CC(=O)N1CCC(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC1 ZINC001229187298 1036539638 /nfs/dbraw/zinc/53/96/38/1036539638.db2.gz XVZAFXKLNZXRKY-UHFFFAOYSA-N -1 3 365.385 2.557 20 10 FFCDHM Cc1cnc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)nc1 ZINC001233419681 1036613775 /nfs/dbraw/zinc/61/37/75/1036613775.db2.gz IKJVLCSXWMASNL-UHFFFAOYSA-N -1 3 352.360 2.832 20 10 FFCDHM CC(=O)N1CCC[C@]2(CN(Cc3ccc(C(F)(F)F)cc3[O-])CCO2)C1 ZINC001233453538 1036634119 /nfs/dbraw/zinc/63/41/19/1036634119.db2.gz KAEGMIHXJYLBFD-KRWDZBQOSA-N -1 3 372.387 2.624 20 10 FFCDHM COc1c(O[C@H](C)CN(C)C)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234129779 1036932910 /nfs/dbraw/zinc/93/29/10/1036932910.db2.gz KHCXXVCNBZYFJT-GFCCVEGCSA-N -1 3 369.417 2.814 20 10 FFCDHM CNC(=O)[C@H]1CC12CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001276517864 1037285343 /nfs/dbraw/zinc/28/53/43/1037285343.db2.gz JQRMNEZVPSOJQR-LLVKDONJSA-N -1 3 371.250 2.642 20 10 FFCDHM CN1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)[C@@H]1c1ccc(F)cc1 ZINC001230458898 1037287795 /nfs/dbraw/zinc/28/77/95/1037287795.db2.gz UUORFWYFJOPWBH-AEFFLSMTSA-N -1 3 361.392 2.915 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447950 1037585358 /nfs/dbraw/zinc/58/53/58/1037585358.db2.gz YYUCXLVKPCYMFS-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447950 1037585376 /nfs/dbraw/zinc/58/53/76/1037585376.db2.gz YYUCXLVKPCYMFS-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449991 1037589964 /nfs/dbraw/zinc/58/99/64/1037589964.db2.gz OZJVXWSXWXJIME-CABCVRRESA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449991 1037589982 /nfs/dbraw/zinc/58/99/82/1037589982.db2.gz OZJVXWSXWXJIME-CABCVRRESA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455990 1037598273 /nfs/dbraw/zinc/59/82/73/1037598273.db2.gz ZIAQYEDFPQKRKZ-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455990 1037598276 /nfs/dbraw/zinc/59/82/76/1037598276.db2.gz ZIAQYEDFPQKRKZ-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001231560129 1037685195 /nfs/dbraw/zinc/68/51/95/1037685195.db2.gz AIHGZLCNLVOJHU-CYBMUJFWSA-N -1 3 364.442 2.779 20 10 FFCDHM C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231563518 1037688006 /nfs/dbraw/zinc/68/80/06/1037688006.db2.gz BZZFKLCOMDZUAA-DOMZBBRYSA-N -1 3 364.442 2.968 20 10 FFCDHM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231912730 1038007623 /nfs/dbraw/zinc/00/76/23/1038007623.db2.gz UXQAIMHLMYSZKA-AWEZNQCLSA-N -1 3 354.878 2.941 20 10 FFCDHM COc1cc([O-])c(CN2CCc3onc(Cn4ccnc4)c3C2)c(Cl)c1 ZINC001236796376 1038275634 /nfs/dbraw/zinc/27/56/34/1038275634.db2.gz VECGXZJATBACJW-UHFFFAOYSA-N -1 3 374.828 2.845 20 10 FFCDHM O=C1CC2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)CC(=O)N1 ZINC001236798104 1038276255 /nfs/dbraw/zinc/27/62/55/1038276255.db2.gz GPXREOFTGZHMSU-UHFFFAOYSA-N -1 3 357.237 2.718 20 10 FFCDHM COC[C@@H]1Cn2ccnc2CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236796732 1038277117 /nfs/dbraw/zinc/27/71/17/1038277117.db2.gz YLVHZXNLUXGLDT-LBPRGKRZSA-N -1 3 351.834 2.529 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3ncccc3OC)CC2)c(Cl)c1 ZINC001236810126 1038283168 /nfs/dbraw/zinc/28/31/68/1038283168.db2.gz ZXNNUMUZWVTRML-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278023144 1038329753 /nfs/dbraw/zinc/32/97/53/1038329753.db2.gz LXQZQSSEJIOKKX-SGTLLEGYSA-N -1 3 370.852 2.787 20 10 FFCDHM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cccc(Cl)c1Cl ZINC001257284546 1038761199 /nfs/dbraw/zinc/76/11/99/1038761199.db2.gz MBAXDJLWRDCFCI-UHFFFAOYSA-N -1 3 362.234 2.926 20 10 FFCDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)cc(O)cc3C)ccc21 ZINC001260798207 1040806424 /nfs/dbraw/zinc/80/64/24/1040806424.db2.gz VWCVDPSBZKAREA-UHFFFAOYSA-N -1 3 360.435 2.719 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC001213797387 1040919823 /nfs/dbraw/zinc/91/98/23/1040919823.db2.gz AFJVBAHTMQACBU-UHFFFAOYSA-N -1 3 365.304 2.908 20 10 FFCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(C)c(Br)cc1[O-] ZINC001250120806 1041120012 /nfs/dbraw/zinc/12/00/12/1041120012.db2.gz QNVSNJGIPCHWKD-BLLLJJGKSA-N -1 3 354.244 2.991 20 10 FFCDHM Cc1cnc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(Br)c1 ZINC001215327703 1041739677 /nfs/dbraw/zinc/73/96/77/1041739677.db2.gz PBVKTMYYWQYHLN-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM CC[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C[C@H](C)O1 ZINC001262926733 1041967560 /nfs/dbraw/zinc/96/75/60/1041967560.db2.gz MIPRDKLOKYTFQW-WDEREUQCSA-N -1 3 359.455 2.801 20 10 FFCDHM [O-]c1cccc(F)c1CN1C[C@@H]2[C@H](C1)OCCN2CCCC(F)(F)F ZINC001279421636 1043094463 /nfs/dbraw/zinc/09/44/63/1043094463.db2.gz LOSTUFZDXSOWNB-ZBFHGGJFSA-N -1 3 362.367 2.759 20 10 FFCDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001279514911 1043211251 /nfs/dbraw/zinc/21/12/51/1043211251.db2.gz VJVTVVUKXNFPNK-OKILXGFUSA-N -1 3 357.376 2.788 20 10 FFCDHM O=C(COC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC001237623873 1043280377 /nfs/dbraw/zinc/28/03/77/1043280377.db2.gz LVYKWUFRJTUXFE-UHFFFAOYSA-N -1 3 370.852 2.788 20 10 FFCDHM C[C@H]1CCCN(Cc2cccc(I)c2[O-])[C@@H]1CO ZINC001237775172 1043351634 /nfs/dbraw/zinc/35/16/34/1043351634.db2.gz DKLRMDGPOOBBET-GXFFZTMASA-N -1 3 361.223 2.590 20 10 FFCDHM [O-]c1c(I)cccc1CN1CCC[C@@]12CCOC2 ZINC001237781837 1043353452 /nfs/dbraw/zinc/35/34/52/1043353452.db2.gz BEGZVZQSBJTADR-AWEZNQCLSA-N -1 3 359.207 2.752 20 10 FFCDHM COc1cnc(O[C@@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)nc1 ZINC001237939289 1043446772 /nfs/dbraw/zinc/44/67/72/1043446772.db2.gz AQAVZJAWQBKIFG-LLVKDONJSA-N -1 3 353.781 2.637 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccccc1Br ZINC001309878393 1043569110 /nfs/dbraw/zinc/56/91/10/1043569110.db2.gz DYZGFZQGRKPLPT-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM CC(C)(C)NC(=O)c1[nH]nc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001279982024 1044030854 /nfs/dbraw/zinc/03/08/54/1044030854.db2.gz MHQUHBFCXWRBEJ-UHFFFAOYSA-N -1 3 362.861 2.855 20 10 FFCDHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001317860496 1045154340 /nfs/dbraw/zinc/15/43/40/1045154340.db2.gz PHZMGKWAPJIZHB-UHFFFAOYSA-N -1 3 354.454 2.680 20 10 FFCDHM [O-]c1c2cccnc2sc1-c1nnc(N2CCCC2)n1C[C@H]1CCOC1 ZINC001343998677 1052537563 /nfs/dbraw/zinc/53/75/63/1052537563.db2.gz UCOZEGZOUKKIJW-GFCCVEGCSA-N -1 3 371.466 2.897 20 10 FFCDHM CCc1ncoc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001336404526 1053973077 /nfs/dbraw/zinc/97/30/77/1053973077.db2.gz GLJVFADYIDUSTO-AWEZNQCLSA-N -1 3 363.845 2.990 20 10 FFCDHM CC(=O)N[C@@H](CC(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001456086742 1060009672 /nfs/dbraw/zinc/00/96/72/1060009672.db2.gz HHBBHYWYRHRRSA-HNNXBMFYSA-N -1 3 366.339 2.693 20 10 FFCDHM CO[C@H]1CC[C@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001355800696 1060601021 /nfs/dbraw/zinc/60/10/21/1060601021.db2.gz GWRFPZOXIBGCOH-QWRGUYRKSA-N -1 3 359.455 2.801 20 10 FFCDHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2O)c(F)c1 ZINC001475585965 1061150574 /nfs/dbraw/zinc/15/05/74/1061150574.db2.gz QFIGVRNWNXUGNT-LLVKDONJSA-N -1 3 367.398 2.748 20 10 FFCDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)cc1F ZINC001463072434 1061924708 /nfs/dbraw/zinc/92/47/08/1061924708.db2.gz OYOKUHLDCRWXKA-UHFFFAOYSA-N -1 3 370.421 2.826 20 10 FFCDHM COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])n1C ZINC001522826182 1062301910 /nfs/dbraw/zinc/30/19/10/1062301910.db2.gz MZGPPWNEHSEIFG-AWEZNQCLSA-N -1 3 358.394 2.590 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC001474559442 1065551478 /nfs/dbraw/zinc/55/14/78/1065551478.db2.gz HMNOADLUNDQQHP-GFCCVEGCSA-N -1 3 350.365 2.771 20 10 FFCDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1F ZINC001557291010 1075834500 /nfs/dbraw/zinc/83/45/00/1075834500.db2.gz RYOMJYZKNOIYOK-OAHLLOKOSA-N -1 3 366.414 2.784 20 10 FFCDHM COc1nsc(C(=O)NCc2c([O-])cccc2F)c1Br ZINC001558457751 1076009725 /nfs/dbraw/zinc/00/97/25/1076009725.db2.gz SWGGTCLMFXQGAW-UHFFFAOYSA-N -1 3 361.192 2.689 20 10 FFCDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001589899022 1080846008 /nfs/dbraw/zinc/84/60/08/1080846008.db2.gz DBVWHKXGRBJUEC-VIFPVBQESA-N -1 3 368.422 2.931 20 10 FFCDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001589899022 1080846013 /nfs/dbraw/zinc/84/60/13/1080846013.db2.gz DBVWHKXGRBJUEC-VIFPVBQESA-N -1 3 368.422 2.931 20 10 FFCDHM C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cnn(CC2CCC2)c1 ZINC001589953795 1080900535 /nfs/dbraw/zinc/90/05/35/1080900535.db2.gz VYCSSHGOQGWHHR-CHWSQXEVSA-N -1 3 367.457 2.981 20 10 FFCDHM C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963332 1080906829 /nfs/dbraw/zinc/90/68/29/1080906829.db2.gz WHKQUMLNWXHJRX-CWSCBRNRSA-N -1 3 371.363 2.723 20 10 FFCDHM C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589970443 1080912705 /nfs/dbraw/zinc/91/27/05/1080912705.db2.gz RSHSCYSKABLBTI-GFCCVEGCSA-N -1 3 368.441 2.995 20 10 FFCDHM CCOC(=O)C1(COC)CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000373469744 512348118 /nfs/dbraw/zinc/34/81/18/512348118.db2.gz PHZJJBZBVQAEOL-UHFFFAOYSA-N -1 3 371.861 2.846 20 10 FFCDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000080938984 508115309 /nfs/dbraw/zinc/11/53/09/508115309.db2.gz FOANTKQYEYXNQO-UHFFFAOYSA-N -1 3 368.480 2.811 20 10 FFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000373640045 512438132 /nfs/dbraw/zinc/43/81/32/512438132.db2.gz PXVBMRGXFYRUTN-WBMJQRKESA-N -1 3 356.260 2.925 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000369498292 512439076 /nfs/dbraw/zinc/43/90/76/512439076.db2.gz AWICQSLQQWLUDS-CQSZACIVSA-N -1 3 373.409 2.742 20 10 FFCDHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(Br)cc1[O-] ZINC000186030340 509489296 /nfs/dbraw/zinc/48/92/96/509489296.db2.gz YISOODCKGMBPJI-ZJUUUORDSA-N -1 3 350.278 2.629 20 10 FFCDHM CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217943 510552730 /nfs/dbraw/zinc/55/27/30/510552730.db2.gz XRLHOVYJBBDOOK-WDEREUQCSA-N -1 3 370.421 2.990 20 10 FFCDHM Cc1ccccc1[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000263684745 510789621 /nfs/dbraw/zinc/78/96/21/510789621.db2.gz LSMFHYFUQKVWGR-AWEZNQCLSA-N -1 3 374.462 2.702 20 10 FFCDHM Cc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])nc(N2CCCC2)n1 ZINC000293863227 510878175 /nfs/dbraw/zinc/87/81/75/510878175.db2.gz XWVHJAFDXWOGMZ-CYBMUJFWSA-N -1 3 357.414 2.850 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCO[C@H](C2CC2)C1 ZINC000277321531 510960070 /nfs/dbraw/zinc/96/00/70/510960070.db2.gz UGEKCAUMVPHHKX-HOCLYGCPSA-N -1 3 364.829 2.767 20 10 FFCDHM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CN1C1CC1 ZINC000277613662 510967270 /nfs/dbraw/zinc/96/72/70/510967270.db2.gz VWCLQSQGPXVKTG-ZYHUDNBSSA-N -1 3 368.275 2.579 20 10 FFCDHM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000364829895 511101910 /nfs/dbraw/zinc/10/19/10/511101910.db2.gz NAKDNDGMTSHFFJ-QGZVFWFLSA-N -1 3 360.454 2.741 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@@]3(CNC(=O)O3)C2)c1[O-] ZINC000364882460 511132554 /nfs/dbraw/zinc/13/25/54/511132554.db2.gz AREXGUPFCQNPRX-OAHLLOKOSA-N -1 3 355.232 2.538 20 10 FFCDHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)[n-]1 ZINC000298442238 511286385 /nfs/dbraw/zinc/28/63/85/511286385.db2.gz ZLZGTNFRFSVZOL-UHFFFAOYSA-N -1 3 368.481 2.989 20 10 FFCDHM COC(=O)COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273544147 511530418 /nfs/dbraw/zinc/53/04/18/511530418.db2.gz ZCZQLLRCPYXWOP-LBPRGKRZSA-N -1 3 360.366 2.703 20 10 FFCDHM CCCc1nc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])co1 ZINC000273906187 511650693 /nfs/dbraw/zinc/65/06/93/511650693.db2.gz TUWWWXTWLZATGG-UHFFFAOYSA-N -1 3 366.801 2.802 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000281256956 511777272 /nfs/dbraw/zinc/77/72/72/511777272.db2.gz QNWXVANQFVKAKQ-VXGBXAGGSA-N -1 3 367.829 2.553 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c([O-])c1O ZINC000281845713 511987666 /nfs/dbraw/zinc/98/76/66/511987666.db2.gz XQCYBSUSOPJISG-MRXNPFEDSA-N -1 3 370.405 2.576 20 10 FFCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000275158657 512060383 /nfs/dbraw/zinc/06/03/83/512060383.db2.gz QVGVMAUMYZXDNZ-UHFFFAOYSA-N -1 3 369.465 2.625 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000374439187 512834180 /nfs/dbraw/zinc/83/41/80/512834180.db2.gz JKUQZXHNFSIABO-CYBMUJFWSA-N -1 3 356.403 2.921 20 10 FFCDHM Cc1ccc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000374921233 513074243 /nfs/dbraw/zinc/07/42/43/513074243.db2.gz STKWANKOELLTIL-OAHLLOKOSA-N -1 3 374.462 2.702 20 10 FFCDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(N(C)C)cc1 ZINC000737410375 599122665 /nfs/dbraw/zinc/12/26/65/599122665.db2.gz SASJRYFIHUTYNS-UHFFFAOYSA-N -1 3 359.437 2.823 20 10 FFCDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(N(C)C)cc1 ZINC000737410375 599122666 /nfs/dbraw/zinc/12/26/66/599122666.db2.gz SASJRYFIHUTYNS-UHFFFAOYSA-N -1 3 359.437 2.823 20 10 FFCDHM C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820427263 599395968 /nfs/dbraw/zinc/39/59/68/599395968.db2.gz RDEMTCUHJSEQPF-VIFPVBQESA-N -1 3 374.788 2.985 20 10 FFCDHM C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820427263 599395970 /nfs/dbraw/zinc/39/59/70/599395970.db2.gz RDEMTCUHJSEQPF-VIFPVBQESA-N -1 3 374.788 2.985 20 10 FFCDHM C[C@H](NCC(C)(C)NC(=O)[O-])c1ccc(N2CCOCC2)cc1Cl ZINC000825486320 605106020 /nfs/dbraw/zinc/10/60/20/605106020.db2.gz WOZMBGMDUBDMFH-LBPRGKRZSA-N -1 3 355.866 2.873 20 10 FFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826209198 607753809 /nfs/dbraw/zinc/75/38/09/607753809.db2.gz QODGIELHPFOMBZ-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826209198 607753810 /nfs/dbraw/zinc/75/38/10/607753810.db2.gz QODGIELHPFOMBZ-UHFFFAOYSA-N -1 3 369.425 2.789 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000833897906 605992762 /nfs/dbraw/zinc/99/27/62/605992762.db2.gz PGAZCMDTQOEEND-GXFFZTMASA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000833897906 605992766 /nfs/dbraw/zinc/99/27/66/605992766.db2.gz PGAZCMDTQOEEND-GXFFZTMASA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000833897906 605992770 /nfs/dbraw/zinc/99/27/70/605992770.db2.gz PGAZCMDTQOEEND-GXFFZTMASA-N -1 3 357.248 2.941 20 10 FFCDHM C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(Br)c1[O-] ZINC000825977133 608525245 /nfs/dbraw/zinc/52/52/45/608525245.db2.gz YEUITDZPRJWTBF-UHFFFAOYSA-N -1 3 374.242 2.967 20 10 FFCDHM C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(Br)c1[O-] ZINC000825977133 608525247 /nfs/dbraw/zinc/52/52/47/608525247.db2.gz YEUITDZPRJWTBF-UHFFFAOYSA-N -1 3 374.242 2.967 20 10 FFCDHM C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(Br)c1[O-] ZINC000825977133 608525248 /nfs/dbraw/zinc/52/52/48/608525248.db2.gz YEUITDZPRJWTBF-UHFFFAOYSA-N -1 3 374.242 2.967 20 10 FFCDHM C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(Br)c1[O-] ZINC000825977133 608525249 /nfs/dbraw/zinc/52/52/49/608525249.db2.gz YEUITDZPRJWTBF-UHFFFAOYSA-N -1 3 374.242 2.967 20 10 FFCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267018 735467943 /nfs/dbraw/zinc/46/79/43/735467943.db2.gz IJJAZCHZIVRYKC-GFCCVEGCSA-N -1 3 350.415 2.569 20 10 FFCDHM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(CN(C)C)c1 ZINC000073314506 728219807 /nfs/dbraw/zinc/21/98/07/728219807.db2.gz WPDLOIAKQGRBRW-UHFFFAOYSA-N -1 3 362.480 2.862 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119772791 728600092 /nfs/dbraw/zinc/60/00/92/728600092.db2.gz HFGCNWRKFOYNNH-UHFFFAOYSA-N -1 3 355.441 2.509 20 10 FFCDHM Cc1ccc([C@@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000132177266 728723825 /nfs/dbraw/zinc/72/38/25/728723825.db2.gz KEOVCOZXSLPCDY-ZDUSSCGKSA-N -1 3 362.451 2.606 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000171938150 729015733 /nfs/dbraw/zinc/01/57/33/729015733.db2.gz SCHPCSAAXUXJME-KRWDZBQOSA-N -1 3 363.841 2.624 20 10 FFCDHM O=C(NCCCc1nc(-c2ccncc2)cs1)c1cccc(O)c1[O-] ZINC000187068515 729372126 /nfs/dbraw/zinc/37/21/26/729372126.db2.gz JSIOWUCSQYICHR-UHFFFAOYSA-N -1 3 355.419 2.979 20 10 FFCDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000321534779 729752831 /nfs/dbraw/zinc/75/28/31/729752831.db2.gz KIMWDSPZADOLOR-UHFFFAOYSA-N -1 3 374.871 2.821 20 10 FFCDHM C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434718 730425711 /nfs/dbraw/zinc/42/57/11/730425711.db2.gz NOOHHDWGCLNIJS-PELKAZGASA-N -1 3 374.666 2.926 20 10 FFCDHM CC1(C)CN(Cc2c([O-])cccc2Br)C[C@]2(CCOC2)O1 ZINC000862350928 730690411 /nfs/dbraw/zinc/69/04/11/730690411.db2.gz JNIPMGUGPBOZJL-INIZCTEOSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)CN(Cc1nc(C2CCC2)no1)Cc1cc(Cl)ccc1[O-] ZINC000878242832 732503419 /nfs/dbraw/zinc/50/34/19/732503419.db2.gz QWMWRUWBVOWKJD-UHFFFAOYSA-N -1 3 365.817 2.871 20 10 FFCDHM C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Br)cc(F)c1[O-] ZINC000894747205 734909061 /nfs/dbraw/zinc/90/90/61/734909061.db2.gz IRWFWFNGGILBRF-SMDDNHRTSA-N -1 3 373.266 2.589 20 10 FFCDHM COCc1ncc2c(n1)CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000895414274 735003237 /nfs/dbraw/zinc/00/32/37/735003237.db2.gz CFYSAEVZHRPWKG-UHFFFAOYSA-N -1 3 364.243 2.649 20 10 FFCDHM COCCOCc1cc(C(=O)NCc2c([O-])cccc2F)ccc1F ZINC000928705532 738897638 /nfs/dbraw/zinc/89/76/38/738897638.db2.gz KYDWHKIOOLNFBI-UHFFFAOYSA-N -1 3 351.349 2.763 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000787422125 739135556 /nfs/dbraw/zinc/13/55/56/739135556.db2.gz AIACUODFUOXTHP-JKOKRWQUSA-N -1 3 353.260 2.549 20 10 FFCDHM COC(=O)CN(Cc1ccnc(N(C)C)c1)Cc1cc(Cl)ccc1[O-] ZINC000754063109 736121283 /nfs/dbraw/zinc/12/12/83/736121283.db2.gz ADTAWKANQIGXLD-UHFFFAOYSA-N -1 3 363.845 2.682 20 10 FFCDHM CC(C)(C)C(=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000761984297 736779597 /nfs/dbraw/zinc/77/95/97/736779597.db2.gz YEZRTLOPMONFON-AWEZNQCLSA-N -1 3 352.862 2.741 20 10 FFCDHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000762569301 736838321 /nfs/dbraw/zinc/83/83/21/736838321.db2.gz LXBGQPSEOIEVOE-STQMWFEESA-N -1 3 372.512 2.510 20 10 FFCDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000768532752 737430027 /nfs/dbraw/zinc/43/00/27/737430027.db2.gz POXZZYHNVQNHPW-UHFFFAOYSA-N -1 3 362.829 2.504 20 10 FFCDHM O=S(=O)(CC1CCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771763270 737753468 /nfs/dbraw/zinc/75/34/68/737753468.db2.gz VUCFHJBYUPPAAP-INIZCTEOSA-N -1 3 372.918 2.730 20 10 FFCDHM COc1cccc2c1O[C@@H](c1cc(O)cc(Br)c1[O-])NC2=O ZINC000917500688 737761368 /nfs/dbraw/zinc/76/13/68/737761368.db2.gz FXCZDFWJEIBFHH-HNNXBMFYSA-N -1 3 366.167 2.690 20 10 FFCDHM C[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(C)(C)C ZINC000785760705 738996226 /nfs/dbraw/zinc/99/62/26/738996226.db2.gz GMUKEVKSWIKROF-GFCCVEGCSA-N -1 3 356.488 2.956 20 10 FFCDHM COC(=O)COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000790898442 739510638 /nfs/dbraw/zinc/51/06/38/739510638.db2.gz WVXBCIQCLVJRJD-UHFFFAOYSA-N -1 3 351.742 2.555 20 10 FFCDHM CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1c([O-])cccc1Cl ZINC000792176738 739647255 /nfs/dbraw/zinc/64/72/55/739647255.db2.gz KGOGJLVNRCMECC-UHFFFAOYSA-N -1 3 352.843 2.516 20 10 FFCDHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702736 739696026 /nfs/dbraw/zinc/69/60/26/739696026.db2.gz FHBSBENSUOUYHB-UHFFFAOYSA-N -1 3 369.464 2.943 20 10 FFCDHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1C ZINC000796455515 740144869 /nfs/dbraw/zinc/14/48/69/740144869.db2.gz MHJPSBLBLAYHDW-JHJVBQTASA-N -1 3 354.472 2.566 20 10 FFCDHM Cc1nnc(SCCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000813684365 741748683 /nfs/dbraw/zinc/74/86/83/741748683.db2.gz PACUJLJSSCXDOS-UHFFFAOYSA-N -1 3 361.254 2.924 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631656 742287116 /nfs/dbraw/zinc/28/71/16/742287116.db2.gz MGKSQKYITPCVAD-TVQRCGJNSA-N -1 3 358.232 2.848 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631656 742287117 /nfs/dbraw/zinc/28/71/17/742287117.db2.gz MGKSQKYITPCVAD-TVQRCGJNSA-N -1 3 358.232 2.848 20 10 FFCDHM CCOC(=O)[C@H]1CSCCN1Cc1ccc(Br)cc1[O-] ZINC000824549201 743102564 /nfs/dbraw/zinc/10/25/64/743102564.db2.gz YYJDKCRGCDHBAL-GFCCVEGCSA-N -1 3 360.273 2.635 20 10 FFCDHM O=C(C1CC1)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825621286 743302288 /nfs/dbraw/zinc/30/22/88/743302288.db2.gz KWGZKGPMYLOWCU-UHFFFAOYSA-N -1 3 353.260 2.599 20 10 FFCDHM CCOC(=O)[C@@H](NCc1ccc(Br)cc1[O-])C1CCOCC1 ZINC000825671131 743309131 /nfs/dbraw/zinc/30/91/31/743309131.db2.gz GDTOOIKTHSEBNS-HNNXBMFYSA-N -1 3 372.259 2.603 20 10 FFCDHM CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825692818 743312024 /nfs/dbraw/zinc/31/20/24/743312024.db2.gz OFHKMEQLVUKCME-UPCLLVRISA-N -1 3 367.902 2.876 20 10 FFCDHM O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)c1cccc(O)c1[O-] ZINC000826623659 743408567 /nfs/dbraw/zinc/40/85/67/743408567.db2.gz UOGHNXKAAQRZRX-UHFFFAOYSA-N -1 3 355.316 2.579 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039190 747753776 /nfs/dbraw/zinc/75/37/76/747753776.db2.gz BOSBYUZUKRSTOP-BXKDBHETSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039190 747753773 /nfs/dbraw/zinc/75/37/73/747753773.db2.gz BOSBYUZUKRSTOP-BXKDBHETSA-N -1 3 358.232 2.706 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1[O-] ZINC000846929377 748577894 /nfs/dbraw/zinc/57/78/94/748577894.db2.gz LEFVVBYWNODXBP-KRWDZBQOSA-N -1 3 364.873 2.985 20 10 FFCDHM COC(=O)CN(Cc1cnc(Cl)n1C)Cc1cc(Cl)ccc1[O-] ZINC000848884981 749028846 /nfs/dbraw/zinc/02/88/46/749028846.db2.gz PMFBSCSCAUJXGZ-UHFFFAOYSA-N -1 3 358.225 2.608 20 10 FFCDHM CCCCN1C[C@@]2(F)CN(Cc3c([O-])cccc3Cl)C[C@@]2(F)C1=O ZINC001275838209 1013062667 /nfs/dbraw/zinc/06/26/67/1013062667.db2.gz UFMWXSXYZDMNRO-DLBZAZTESA-N -1 3 358.816 2.920 20 10 FFCDHM Cc1ncsc1CN1CC2(C1)CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271242105 972403419 /nfs/dbraw/zinc/40/34/19/972403419.db2.gz PDSIFMUXOQJXFY-UHFFFAOYSA-N -1 3 373.478 2.601 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000894970466 967132355 /nfs/dbraw/zinc/13/23/55/967132355.db2.gz YXDPBBJSETWTDD-CQSZACIVSA-N -1 3 372.412 2.786 20 10 FFCDHM CC(C)(C)OC(=O)NCC1(O)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877593518 1014638656 /nfs/dbraw/zinc/63/86/56/1014638656.db2.gz BYRGVPHDZBKIFD-UHFFFAOYSA-N -1 3 372.412 2.522 20 10 FFCDHM CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001590461769 990031668 /nfs/dbraw/zinc/03/16/68/990031668.db2.gz JHEFLJCXYOVEIG-CQSZACIVSA-N -1 3 374.441 2.522 20 10 FFCDHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175522784 991212835 /nfs/dbraw/zinc/21/28/35/991212835.db2.gz IEOKLXMWAYUXRT-SFHVURJKSA-N -1 3 357.381 2.834 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)Cc3ccccc3)CC2)c1[O-] ZINC000175583056 991222347 /nfs/dbraw/zinc/22/23/47/991222347.db2.gz DORWREUJNOKCTA-UHFFFAOYSA-N -1 3 370.424 2.621 20 10 FFCDHM Cc1cccc(NC(=O)CN2CCN(Cc3cc(F)ccc3[O-])CC2)c1C ZINC000179887879 991370105 /nfs/dbraw/zinc/37/01/05/991370105.db2.gz FTBCPMJZCCXTMX-UHFFFAOYSA-N -1 3 371.456 2.904 20 10 FFCDHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000180024521 991401596 /nfs/dbraw/zinc/40/15/96/991401596.db2.gz GILIXEAGXMSSAI-SGTLLEGYSA-N -1 3 374.462 2.817 20 10 FFCDHM CCOC(=O)c1ncc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)[n-]1 ZINC000763644658 992672456 /nfs/dbraw/zinc/67/24/56/992672456.db2.gz ZVWJZHMRAAYVFP-UHFFFAOYSA-N -1 3 353.382 2.641 20 10 FFCDHM CCOC(=O)c1nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c[n-]1 ZINC000763644658 992672459 /nfs/dbraw/zinc/67/24/59/992672459.db2.gz ZVWJZHMRAAYVFP-UHFFFAOYSA-N -1 3 353.382 2.641 20 10 FFCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000844447843 997896431 /nfs/dbraw/zinc/89/64/31/997896431.db2.gz WEPKHIFSHVKIHD-SRCQZFHVSA-N -1 3 367.417 2.570 20 10 FFCDHM COc1cc(O)c(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1OC ZINC001599445375 998000773 /nfs/dbraw/zinc/00/07/73/998000773.db2.gz GQPIBVVNRZCOLA-UHFFFAOYSA-N -1 3 361.394 2.505 20 10 FFCDHM COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306889 998301715 /nfs/dbraw/zinc/30/17/15/998301715.db2.gz VRUQIGCREFWQRP-MWLCHTKSSA-N -1 3 360.223 2.925 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CC2CCC1CC2 ZINC001144575834 998662318 /nfs/dbraw/zinc/66/23/18/998662318.db2.gz TVQHOGZSQUIKRJ-LFUGVXIPSA-N -1 3 366.483 2.708 20 10 FFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCc2ccccc21 ZINC000769651014 1000569390 /nfs/dbraw/zinc/56/93/90/1000569390.db2.gz GUJRMTKRRPOXJD-QGZVFWFLSA-N -1 3 374.462 2.913 20 10 FFCDHM CCCCN1C[C@]2(CC1=O)COCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001276191845 1016503067 /nfs/dbraw/zinc/50/30/67/1016503067.db2.gz BTBYTYRYXYTROT-LJQANCHMSA-N -1 3 368.424 2.521 20 10 FFCDHM COC(=O)NCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774926641 1003067118 /nfs/dbraw/zinc/06/71/18/1003067118.db2.gz KGJLDFAEZYEZAM-UHFFFAOYSA-N -1 3 361.354 2.777 20 10 FFCDHM COC(=O)c1cc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)cnc2[nH]1 ZINC001193219368 1004407209 /nfs/dbraw/zinc/40/72/09/1004407209.db2.gz GOOGXACORUQCMG-UHFFFAOYSA-N -1 3 361.741 2.666 20 10 FFCDHM Nc1ccccc1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193946643 1004627348 /nfs/dbraw/zinc/62/73/48/1004627348.db2.gz MKMAWALXCHNFDZ-UHFFFAOYSA-N -1 3 363.826 2.655 20 10 FFCDHM COc1cc(OC)c(OC)cc1NC(=O)NCc1c([O-])cccc1F ZINC001201762935 1005262828 /nfs/dbraw/zinc/26/28/28/1005262828.db2.gz DSBGDZZPIHYTQP-UHFFFAOYSA-N -1 3 350.346 2.879 20 10 FFCDHM O=C(N[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1)c1ccc(Cl)cc1 ZINC000887745395 1009559572 /nfs/dbraw/zinc/55/95/72/1009559572.db2.gz YEPWHCAJICKIAL-CQSZACIVSA-N -1 3 374.824 2.786 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2[O-])N1C1COC1 ZINC001275236292 1012124272 /nfs/dbraw/zinc/12/42/72/1012124272.db2.gz NEHAXCRLVMGWKD-HUUCEWRRSA-N -1 3 371.264 2.663 20 10 FFCDHM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)CO1 ZINC000928710505 1019084313 /nfs/dbraw/zinc/08/43/13/1019084313.db2.gz NLRUHNYZHJLKJM-STQMWFEESA-N -1 3 367.417 2.675 20 10 FFCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1N1CCOCC1=O ZINC000933223480 1020978681 /nfs/dbraw/zinc/97/86/81/1020978681.db2.gz UKTUCBFMJMBKTH-UHFFFAOYSA-N -1 3 373.384 2.525 20 10 FFCDHM CC(C)OCc1ccc(NC(=O)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001121065576 1023590383 /nfs/dbraw/zinc/59/03/83/1023590383.db2.gz YJHQXPWFXPLMAH-UHFFFAOYSA-N -1 3 360.385 2.711 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000757619598 1023838737 /nfs/dbraw/zinc/83/87/37/1023838737.db2.gz RBJNPXNJNDXKAU-WFASDCNBSA-N -1 3 354.406 2.955 20 10 FFCDHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC000192899726 1024310638 /nfs/dbraw/zinc/31/06/38/1024310638.db2.gz CYNASWNXUYZZCD-UHFFFAOYSA-N -1 3 351.406 2.889 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc2ncnn21 ZINC001152891131 1027711555 /nfs/dbraw/zinc/71/15/55/1027711555.db2.gz DIZNZSRILQRRSG-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM CCOC(=O)c1nccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157728117 1029652123 /nfs/dbraw/zinc/65/21/23/1029652123.db2.gz ZPXDSXHLLBNWSA-UHFFFAOYSA-N -1 3 358.785 2.595 20 10 FFCDHM CO[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001203665675 1030811860 /nfs/dbraw/zinc/81/18/60/1030811860.db2.gz TUNPSVDXVIRIBZ-DZGCQCFKSA-N -1 3 356.850 2.770 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1[nH]nc2ncccc21 ZINC001149406698 1031504740 /nfs/dbraw/zinc/50/47/40/1031504740.db2.gz HKMWMJCTMWRKOS-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM [O-]c1c(F)cccc1CN1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001138125333 1033804148 /nfs/dbraw/zinc/80/41/48/1033804148.db2.gz OHILDZIXYMSVFL-HNNXBMFYSA-N -1 3 368.412 2.834 20 10 FFCDHM CCOC(=O)[C@@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)C1CC1 ZINC001226385776 1034662792 /nfs/dbraw/zinc/66/27/92/1034662792.db2.gz UBSWTLNPMBOSLB-FQEVSTJZSA-N -1 3 366.369 2.888 20 10 FFCDHM O=C1NC2(C[C@@H]1c1ccncc1)CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682791 1035197252 /nfs/dbraw/zinc/19/72/52/1035197252.db2.gz CHKWPKRAAYVUCN-CQSZACIVSA-N -1 3 373.403 2.704 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001140338201 1035442906 /nfs/dbraw/zinc/44/29/06/1035442906.db2.gz AGYRZHJJVRBTCT-UHFFFAOYSA-N -1 3 362.861 2.970 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1 ZINC000834899312 1035471507 /nfs/dbraw/zinc/47/15/07/1035471507.db2.gz UVLFUVRCLPJDNB-ADLMAVQZSA-N -1 3 356.378 2.577 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(CN(Cc3cc(Cl)c([O-])cc3O)C2)C1 ZINC001232258660 1035529338 /nfs/dbraw/zinc/52/93/38/1035529338.db2.gz CALGXQPGNPJZIP-UHFFFAOYSA-N -1 3 354.834 2.804 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(CCN2Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232260407 1035531926 /nfs/dbraw/zinc/53/19/26/1035531926.db2.gz PRQUAGLURBEIDM-UHFFFAOYSA-N -1 3 354.834 2.946 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2cn(C)nc21 ZINC001232267884 1035538123 /nfs/dbraw/zinc/53/81/23/1035538123.db2.gz KMEDZTKEGSCETE-AWEZNQCLSA-N -1 3 365.861 2.924 20 10 FFCDHM COC[C@H]1CCCN1Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233306382 1036512880 /nfs/dbraw/zinc/51/28/80/1036512880.db2.gz PBJFUBBKWKJMOF-GFCCVEGCSA-N -1 3 358.232 2.552 20 10 FFCDHM CN(Cc1c([O-])ccc(F)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332416 1036538847 /nfs/dbraw/zinc/53/88/47/1036538847.db2.gz KPFJSZOXWUHWKW-LBPRGKRZSA-N -1 3 372.412 2.738 20 10 FFCDHM Cc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)ncn1 ZINC001233419508 1036613249 /nfs/dbraw/zinc/61/32/49/1036613249.db2.gz ABACXOWYCRHWNN-UHFFFAOYSA-N -1 3 352.360 2.832 20 10 FFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCOC[C@](O)(C(F)(F)F)C1 ZINC001233452058 1036633881 /nfs/dbraw/zinc/63/38/81/1036633881.db2.gz IXCBXSYSPIUMEV-LBPRGKRZSA-N -1 3 359.266 2.537 20 10 FFCDHM Cn1cnnc1C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235303612 1037464660 /nfs/dbraw/zinc/46/46/60/1037464660.db2.gz PGWMGPZCMKLGNQ-UHFFFAOYSA-N -1 3 369.238 2.802 20 10 FFCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001231447572 1037584735 /nfs/dbraw/zinc/58/47/35/1037584735.db2.gz WHZZUPQIMOSNIC-CYBMUJFWSA-N -1 3 364.442 2.922 20 10 FFCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001231447572 1037584747 /nfs/dbraw/zinc/58/47/47/1037584747.db2.gz WHZZUPQIMOSNIC-CYBMUJFWSA-N -1 3 364.442 2.922 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447855 1037584831 /nfs/dbraw/zinc/58/48/31/1037584831.db2.gz XDSRLTCPUUISEG-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447855 1037584849 /nfs/dbraw/zinc/58/48/49/1037584849.db2.gz XDSRLTCPUUISEG-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM [O-]c1ccc(F)c(Cl)c1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001237121068 1038449155 /nfs/dbraw/zinc/44/91/55/1038449155.db2.gz IUNLPOAVQZNYIS-UHFFFAOYSA-N -1 3 364.852 2.993 20 10 FFCDHM O=S(=O)(Nc1ccc([O-])c(I)c1)C1CCCC1 ZINC001259800724 1040207031 /nfs/dbraw/zinc/20/70/31/1040207031.db2.gz KBYNGTGIIITKII-UHFFFAOYSA-N -1 3 367.208 2.681 20 10 FFCDHM CCOC(=O)[C@H]1CSCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250134149 1041126834 /nfs/dbraw/zinc/12/68/34/1041126834.db2.gz WUJYCFSPPHBYQU-CYBMUJFWSA-N -1 3 374.300 2.944 20 10 FFCDHM O=C(Cc1ccsc1)N1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001278554178 1041130812 /nfs/dbraw/zinc/13/08/12/1041130812.db2.gz OJENJGKOYALSAT-UHFFFAOYSA-N -1 3 362.882 2.994 20 10 FFCDHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(Cc1c([O-])cc(F)cc1F)C2 ZINC001278605690 1041392467 /nfs/dbraw/zinc/39/24/67/1041392467.db2.gz IGBOZYMOBRNQBZ-HIFRSBDPSA-N -1 3 362.424 2.593 20 10 FFCDHM COc1cc(-c2noc(-c3cccc(O)c3[O-])n2)ccc1OC1COC1 ZINC001215146045 1041678707 /nfs/dbraw/zinc/67/87/07/1041678707.db2.gz YHILEHHWYXNLTR-UHFFFAOYSA-N -1 3 356.334 2.601 20 10 FFCDHM Cc1cnc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(Br)c1 ZINC001215328411 1041741020 /nfs/dbraw/zinc/74/10/20/1041741020.db2.gz BSIJIJCBHCOMDT-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM Cc1cc([O-])c(CN2CC(=O)NC3(CCCC3)C2)cc1Br ZINC001237686223 1043313532 /nfs/dbraw/zinc/31/35/32/1043313532.db2.gz URBKIBTZWCQXRQ-UHFFFAOYSA-N -1 3 353.260 2.708 20 10 FFCDHM CC(C)(C)NC(=O)c1cn2c(n1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001279981930 1044028912 /nfs/dbraw/zinc/02/89/12/1044028912.db2.gz IMQARRPKTLOOHS-UHFFFAOYSA-N -1 3 362.861 2.786 20 10 FFCDHM CN(C)c1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001539049663 1070548976 /nfs/dbraw/zinc/54/89/76/1070548976.db2.gz KWDPVWLDMAJTPL-UHFFFAOYSA-N -1 3 357.360 2.802 20 10 FFCDHM O=C(NCC(F)(F)F)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001290517268 1048188124 /nfs/dbraw/zinc/18/81/24/1048188124.db2.gz QHOIUHRRVFLUAQ-UHFFFAOYSA-N -1 3 354.284 2.642 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC2(CCO2)CC1 ZINC001340208568 1050617037 /nfs/dbraw/zinc/61/70/37/1050617037.db2.gz FLHCPYUBSVDNPM-UHFFFAOYSA-N -1 3 357.439 2.557 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cn2c(Br)cnc2s1 ZINC001303875381 1051463950 /nfs/dbraw/zinc/46/39/50/1051463950.db2.gz GTPOQWVRDHKXTL-UHFFFAOYSA-N -1 3 370.203 2.933 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCc2c([O-])cccc2F)C1 ZINC001303875404 1051464122 /nfs/dbraw/zinc/46/41/22/1051464122.db2.gz IAVRYZMMKWOTTC-IAQYHMDHSA-N -1 3 370.396 2.743 20 10 FFCDHM Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1c([O-])cccc1F ZINC001303876140 1051464141 /nfs/dbraw/zinc/46/41/41/1051464141.db2.gz WLBJMCAVMYLVPX-UHFFFAOYSA-N -1 3 354.385 2.597 20 10 FFCDHM CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1C1CC1 ZINC001354551450 1059149133 /nfs/dbraw/zinc/14/91/33/1059149133.db2.gz QOKLCBNFCPNIMB-LLVKDONJSA-N -1 3 374.416 2.831 20 10 FFCDHM COc1c([O-])c(CNc2ccc(-c3ncn(C)n3)cc2)ccc1[N+](=O)[O-] ZINC001462063156 1061493040 /nfs/dbraw/zinc/49/30/40/1061493040.db2.gz AGZGNDUYDHKBAT-UHFFFAOYSA-N -1 3 355.354 2.717 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC001465070671 1062964864 /nfs/dbraw/zinc/96/48/64/1062964864.db2.gz JISBOUJSOFMCPU-UHFFFAOYSA-N -1 3 371.368 2.502 20 10 FFCDHM Cc1cc(C(F)F)n2ncc(C(=O)NCc3c([O-])cccc3F)c2n1 ZINC001471975767 1064875557 /nfs/dbraw/zinc/87/55/57/1064875557.db2.gz GOOQCKCMTJKSLZ-UHFFFAOYSA-N -1 3 350.300 2.750 20 10 FFCDHM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(O)c1[O-])CCC2 ZINC001584027226 1079297409 /nfs/dbraw/zinc/29/74/09/1079297409.db2.gz GFOMHGXUWSHABE-CQSZACIVSA-N -1 3 355.390 2.734 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3nnc(N)o3)CC2)c1[O-] ZINC001559959962 1076207748 /nfs/dbraw/zinc/20/77/48/1076207748.db2.gz LXOSRWOGQZFBIH-UHFFFAOYSA-N -1 3 350.806 2.593 20 10 FFCDHM O=C1NCC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)Oc2ccccc21 ZINC001561007044 1076318733 /nfs/dbraw/zinc/31/87/33/1076318733.db2.gz IUWPJCKLBBVCRB-UHFFFAOYSA-N -1 3 374.387 2.827 20 10 FFCDHM C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964346 1080907319 /nfs/dbraw/zinc/90/73/19/1080907319.db2.gz QTXLTIPUJVOJPF-QWHCGFSZSA-N -1 3 351.410 2.789 20 10 FFCDHM C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964344 1080908077 /nfs/dbraw/zinc/90/80/77/1080908077.db2.gz QTXLTIPUJVOJPF-CHWSQXEVSA-N -1 3 351.410 2.789 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000367039694 512309869 /nfs/dbraw/zinc/30/98/69/512309869.db2.gz ZHQRNVACAKVROQ-LRDDRELGSA-N -1 3 350.846 2.739 20 10 FFCDHM Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000120057285 508918675 /nfs/dbraw/zinc/91/86/75/508918675.db2.gz NSXHKDQCGXKWHE-CYBMUJFWSA-N -1 3 364.423 2.561 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CCOC1 ZINC000266789232 509194676 /nfs/dbraw/zinc/19/46/76/509194676.db2.gz STOSFZYRAGKOJW-NSHDSACASA-N -1 3 357.248 2.723 20 10 FFCDHM C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)ccc1[O-] ZINC000189162848 509443962 /nfs/dbraw/zinc/44/39/62/509443962.db2.gz UWYFKEDJIFHETP-GFCCVEGCSA-N -1 3 369.870 2.662 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c([O-])c1O ZINC000179491494 509477074 /nfs/dbraw/zinc/47/70/74/509477074.db2.gz SRVSWOCOOHAOMQ-HNNXBMFYSA-N -1 3 374.824 2.937 20 10 FFCDHM CN(Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000182937693 509506681 /nfs/dbraw/zinc/50/66/81/509506681.db2.gz VVAMXLITQMUFLD-KRWDZBQOSA-N -1 3 361.463 2.590 20 10 FFCDHM COC(=O)CN(Cc1cnn(C(C)C)c1)Cc1cc(Cl)ccc1[O-] ZINC000179555545 509508929 /nfs/dbraw/zinc/50/89/29/509508929.db2.gz FYVBXWJHNRYOKA-UHFFFAOYSA-N -1 3 351.834 2.998 20 10 FFCDHM CN(C)S(=O)(=O)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000264956938 509796251 /nfs/dbraw/zinc/79/62/51/509796251.db2.gz MWTKDONBHWGEDM-UHFFFAOYSA-N -1 3 354.859 2.586 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c([O-])c1O ZINC000184032141 510095916 /nfs/dbraw/zinc/09/59/16/510095916.db2.gz ROCLUGUULCAHCW-UHFFFAOYSA-N -1 3 359.397 2.755 20 10 FFCDHM COc1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000184698564 510469082 /nfs/dbraw/zinc/46/90/82/510469082.db2.gz OWEMVOSLWAIGET-HIFRSBDPSA-N -1 3 361.891 2.842 20 10 FFCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000184703091 510473565 /nfs/dbraw/zinc/47/35/65/510473565.db2.gz WGVOSELQIGMMGZ-GJZGRUSLSA-N -1 3 367.829 2.972 20 10 FFCDHM COC(=O)CN(Cc1cc(OC)ccn1)Cc1cc(Cl)ccc1[O-] ZINC000269624956 510488474 /nfs/dbraw/zinc/48/84/74/510488474.db2.gz JJKDMTCWLLCLGO-UHFFFAOYSA-N -1 3 350.802 2.624 20 10 FFCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444752 510663798 /nfs/dbraw/zinc/66/37/98/510663798.db2.gz IABDLOBLLGRAAJ-BDJLRTHQSA-N -1 3 353.825 2.864 20 10 FFCDHM CC(C)OC(=O)CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277252791 510958589 /nfs/dbraw/zinc/95/85/89/510958589.db2.gz PRFLKXRJUVMDHX-UHFFFAOYSA-N -1 3 368.817 2.542 20 10 FFCDHM CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277447255 510963912 /nfs/dbraw/zinc/96/39/12/510963912.db2.gz RBONQDQGZRPNNU-UHOFOFEASA-N -1 3 364.829 2.623 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cccnn1 ZINC000278106120 510982068 /nfs/dbraw/zinc/98/20/68/510982068.db2.gz ARCHBYQAQOTKGA-UHFFFAOYSA-N -1 3 365.231 2.676 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc(C)sn1 ZINC000278474482 510993509 /nfs/dbraw/zinc/99/35/09/510993509.db2.gz ULDIDWOHKLCOPU-UHFFFAOYSA-N -1 3 354.815 2.626 20 10 FFCDHM COc1c([O-])c(CNc2ccc(CN3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278631890 511001635 /nfs/dbraw/zinc/00/16/35/511001635.db2.gz GYVWXIQPVXDNLN-UHFFFAOYSA-N -1 3 373.365 2.873 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886421 511011769 /nfs/dbraw/zinc/01/17/69/511011769.db2.gz OZNOXZKRQUNOCZ-DZGCQCFKSA-N -1 3 362.382 2.990 20 10 FFCDHM COc1c([O-])c(CN[C@H]2CCN(c3ccc(C)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000364761626 511067511 /nfs/dbraw/zinc/06/75/11/511067511.db2.gz VWLCKUGQZSILEY-HNNXBMFYSA-N -1 3 371.393 2.513 20 10 FFCDHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cccc(O)c3[O-])ccc2NC1=O ZINC000279425153 511078860 /nfs/dbraw/zinc/07/88/60/511078860.db2.gz YRDSEEUDFXUJRJ-ZUZCIYMTSA-N -1 3 356.378 2.698 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](O)c1ccccn1 ZINC000279495546 511104661 /nfs/dbraw/zinc/10/46/61/511104661.db2.gz SBNBCYRXNZPBAW-HNNXBMFYSA-N -1 3 365.227 2.632 20 10 FFCDHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2)CC1 ZINC000271944998 511380000 /nfs/dbraw/zinc/38/00/00/511380000.db2.gz MZDJFPRVNWKCQW-UHFFFAOYSA-N -1 3 361.419 2.706 20 10 FFCDHM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(F)c1[O-] ZINC000272246351 511478622 /nfs/dbraw/zinc/47/86/22/511478622.db2.gz HLZLEIAUJKJCEH-UHFFFAOYSA-N -1 3 367.442 2.836 20 10 FFCDHM C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439971 511526508 /nfs/dbraw/zinc/52/65/08/511526508.db2.gz MPWSWBSCARVTJP-XPTSAGLGSA-N -1 3 363.767 2.880 20 10 FFCDHM COc1ccc(O)c([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000273444132 511526642 /nfs/dbraw/zinc/52/66/42/511526642.db2.gz NMEHGPOJJBWSFH-NSHDSACASA-N -1 3 366.439 2.954 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2cccc(O)c2[O-])CC1 ZINC000292673778 511681901 /nfs/dbraw/zinc/68/19/01/511681901.db2.gz BFIKTKWOQYWBMP-UHFFFAOYSA-N -1 3 362.426 2.713 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1O ZINC000293175067 511870022 /nfs/dbraw/zinc/87/00/22/511870022.db2.gz YXVPNDQXFFSIJX-HXUWFJFHSA-N -1 3 359.397 2.613 20 10 FFCDHM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(=O)[n-]1 ZINC000375669564 512446364 /nfs/dbraw/zinc/44/63/64/512446364.db2.gz SPJVKVQMZQVWJW-JTQLQIEISA-N -1 3 369.393 2.849 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000373746315 512484296 /nfs/dbraw/zinc/48/42/96/512484296.db2.gz RYQIXQRKMCBGEO-AWEZNQCLSA-N -1 3 351.406 3.000 20 10 FFCDHM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000367682943 512613872 /nfs/dbraw/zinc/61/38/72/512613872.db2.gz JAUIWYZBNJKYPJ-CKEIUWERSA-N -1 3 366.889 2.941 20 10 FFCDHM CC(C)c1nnc2n1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000378352491 512710508 /nfs/dbraw/zinc/71/05/08/512710508.db2.gz UVPQTDLWGQOOTB-UHFFFAOYSA-N -1 3 351.248 2.885 20 10 FFCDHM C[C@@]1(Br)C[C@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529391065 517121024 /nfs/dbraw/zinc/12/10/24/517121024.db2.gz XHAKZGPOPSWKTM-JOYOIKCWSA-N -1 3 363.049 2.944 20 10 FFCDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCSc1nccs1 ZINC000737803970 598912156 /nfs/dbraw/zinc/91/21/56/598912156.db2.gz XAXSHEJPMCXPCF-VOTSOKGWSA-N -1 3 372.479 2.635 20 10 FFCDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCSc1nccs1 ZINC000737803970 598912157 /nfs/dbraw/zinc/91/21/57/598912157.db2.gz XAXSHEJPMCXPCF-VOTSOKGWSA-N -1 3 372.479 2.635 20 10 FFCDHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000737643985 598239743 /nfs/dbraw/zinc/23/97/43/598239743.db2.gz IWYSBFMXXNDGBH-UHFFFAOYSA-N -1 3 372.379 2.594 20 10 FFCDHM CC(C)Oc1ccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735912840 598322053 /nfs/dbraw/zinc/32/20/53/598322053.db2.gz IKMFXXVUZFALKL-UHFFFAOYSA-N -1 3 369.454 2.967 20 10 FFCDHM CC(C)Oc1ccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735912840 598322055 /nfs/dbraw/zinc/32/20/55/598322055.db2.gz IKMFXXVUZFALKL-UHFFFAOYSA-N -1 3 369.454 2.967 20 10 FFCDHM Cc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n[nH]1 ZINC000737274569 598618821 /nfs/dbraw/zinc/61/88/21/598618821.db2.gz MVOOONLEGBJAKZ-UHFFFAOYSA-N -1 3 362.397 2.558 20 10 FFCDHM O=C([O-])[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000738548469 599956699 /nfs/dbraw/zinc/95/66/99/599956699.db2.gz HDPBIMIHOVSOBR-HNNXBMFYSA-N -1 3 366.211 2.593 20 10 FFCDHM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833193911 604468273 /nfs/dbraw/zinc/46/82/73/604468273.db2.gz PGSYANBUPFJLKS-HXUWFJFHSA-N -1 3 370.424 2.674 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)c(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000826274639 608296044 /nfs/dbraw/zinc/29/60/44/608296044.db2.gz XZGGSWRAICJRAZ-UHFFFAOYSA-N -1 3 353.817 2.912 20 10 FFCDHM Cc1ccc(-c2nn[n-]n2)c(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000826274639 608296047 /nfs/dbraw/zinc/29/60/47/608296047.db2.gz XZGGSWRAICJRAZ-UHFFFAOYSA-N -1 3 353.817 2.912 20 10 FFCDHM O=C1[C@@H](Sc2nccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477585 609419920 /nfs/dbraw/zinc/41/99/20/609419920.db2.gz GZXYBOQZOGIBHT-LBPRGKRZSA-N -1 3 358.452 2.611 20 10 FFCDHM O=C1[C@@H](Sc2nccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477585 609419923 /nfs/dbraw/zinc/41/99/23/609419923.db2.gz GZXYBOQZOGIBHT-LBPRGKRZSA-N -1 3 358.452 2.611 20 10 FFCDHM COc1cccc(O)c1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826217698 609491319 /nfs/dbraw/zinc/49/13/19/609491319.db2.gz YMZLIQCWZWGEOU-UHFFFAOYSA-N -1 3 355.398 2.980 20 10 FFCDHM COc1cccc(O)c1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826217698 609491322 /nfs/dbraw/zinc/49/13/22/609491322.db2.gz YMZLIQCWZWGEOU-UHFFFAOYSA-N -1 3 355.398 2.980 20 10 FFCDHM CC[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000076020386 728254219 /nfs/dbraw/zinc/25/42/19/728254219.db2.gz LJZMPJOCKJLWNA-CQSZACIVSA-N -1 3 362.451 2.515 20 10 FFCDHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092228137 728465334 /nfs/dbraw/zinc/46/53/34/728465334.db2.gz PEEZDPTUVCGZQO-SMDDNHRTSA-N -1 3 354.472 2.708 20 10 FFCDHM O=C(Nc1ccc(I)cc1)c1cccc(O)c1[O-] ZINC000126173698 728694874 /nfs/dbraw/zinc/69/48/74/728694874.db2.gz PVTKWIIXEONHGP-UHFFFAOYSA-N -1 3 355.131 2.955 20 10 FFCDHM Cc1ccc([C@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000132177429 728723802 /nfs/dbraw/zinc/72/38/02/728723802.db2.gz KEOVCOZXSLPCDY-CYBMUJFWSA-N -1 3 362.451 2.606 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CC(O)(c2cccc(Br)c2)C1 ZINC000857069521 730377316 /nfs/dbraw/zinc/37/73/16/730377316.db2.gz LGHQORMKFGPNQB-UHFFFAOYSA-N -1 3 352.203 2.997 20 10 FFCDHM COCCNS(=O)(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000858339171 730423225 /nfs/dbraw/zinc/42/32/25/730423225.db2.gz QNCVGPFDFCNCGG-UHFFFAOYSA-N -1 3 370.858 2.582 20 10 FFCDHM CCOC(=O)[C@H]1CSCCN1Cc1c([O-])cccc1Br ZINC000862216108 730677047 /nfs/dbraw/zinc/67/70/47/730677047.db2.gz RQMCTOSBRAWUSB-GFCCVEGCSA-N -1 3 360.273 2.635 20 10 FFCDHM Cc1nsc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862247679 730681435 /nfs/dbraw/zinc/68/14/35/730681435.db2.gz ADCDFXLYOKTJJN-UHFFFAOYSA-N -1 3 369.288 2.637 20 10 FFCDHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1ccc(Br)cc1[O-] ZINC000862515733 730705853 /nfs/dbraw/zinc/70/58/53/730705853.db2.gz BDXAEFNTTSLURJ-SMDDNHRTSA-N -1 3 372.259 2.603 20 10 FFCDHM C/C=C/C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000863819199 730810486 /nfs/dbraw/zinc/81/04/86/730810486.db2.gz RTDLAHKMUIBDGD-ITDFMYJTSA-N -1 3 352.456 2.582 20 10 FFCDHM CCN(Cc1cc(C)cc(Br)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000781914749 738672207 /nfs/dbraw/zinc/67/22/07/738672207.db2.gz ZLDGOLJQMREIJT-NSHDSACASA-N -1 3 364.305 2.718 20 10 FFCDHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000893908918 734770942 /nfs/dbraw/zinc/77/09/42/734770942.db2.gz GHRVEADIFLMHKG-SNVBAGLBSA-N -1 3 356.394 2.511 20 10 FFCDHM C[C@@H]1CCC[C@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000734558765 734902868 /nfs/dbraw/zinc/90/28/68/734902868.db2.gz WVLXZWPFHPNADB-CHWSQXEVSA-N -1 3 354.472 2.710 20 10 FFCDHM COC(=O)CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@@H]1CCCO1 ZINC000750047013 735768259 /nfs/dbraw/zinc/76/82/59/735768259.db2.gz LENXYSXLURRBTQ-HNNXBMFYSA-N -1 3 369.845 2.792 20 10 FFCDHM CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000754153867 736131294 /nfs/dbraw/zinc/13/12/94/736131294.db2.gz JWIWUPYFVMGHGB-CMJOXMDJSA-N -1 3 353.875 2.568 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC(=O)CC1 ZINC000761982926 736779334 /nfs/dbraw/zinc/77/93/34/736779334.db2.gz OEROTGASLGQIHU-INIZCTEOSA-N -1 3 364.873 2.886 20 10 FFCDHM C[C@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)N1CCCCCC1 ZINC000911360163 737194992 /nfs/dbraw/zinc/19/49/92/737194992.db2.gz MZLVYPAKWZQDQL-CYBMUJFWSA-N -1 3 368.861 2.723 20 10 FFCDHM O=C1NCCN(Cc2cc(Br)ccc2[O-])[C@@H]1c1cccs1 ZINC000769482475 737534333 /nfs/dbraw/zinc/53/43/33/737534333.db2.gz ZPJVUIJZCIXOSV-CQSZACIVSA-N -1 3 367.268 2.889 20 10 FFCDHM CS(=O)(=O)N1CCN(Cc2c([O-])cccc2Cl)Cc2ccccc21 ZINC000770380633 737620790 /nfs/dbraw/zinc/62/07/90/737620790.db2.gz PWSFDTOCWHMSJB-UHFFFAOYSA-N -1 3 366.870 2.827 20 10 FFCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741738 738120330 /nfs/dbraw/zinc/12/03/30/738120330.db2.gz PZANGJMADPRIBT-MEDUHNTESA-N -1 3 353.825 2.864 20 10 FFCDHM [O-]c1c(Br)cccc1CNCc1nc2c(s1)COCC2 ZINC000922964572 738225605 /nfs/dbraw/zinc/22/56/05/738225605.db2.gz JERGMNXVEXCUGH-UHFFFAOYSA-N -1 3 355.257 2.974 20 10 FFCDHM CC(C)(C)C(=O)NC1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928707149 738897702 /nfs/dbraw/zinc/89/77/02/738897702.db2.gz BFHDERMUQXBYQB-UHFFFAOYSA-N -1 3 350.434 2.869 20 10 FFCDHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(O)c1[O-] ZINC000799033630 740382599 /nfs/dbraw/zinc/38/25/99/740382599.db2.gz BAYPDIISMPYYTQ-CQSZACIVSA-N -1 3 363.797 2.655 20 10 FFCDHM COc1cc(Br)cc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000818630657 742286662 /nfs/dbraw/zinc/28/66/62/742286662.db2.gz XADVYEFTGVYEMQ-LLVKDONJSA-N -1 3 360.248 3.000 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824576820 743110618 /nfs/dbraw/zinc/11/06/18/743110618.db2.gz UMYBXVOPXJSQFD-LBPRGKRZSA-N -1 3 357.248 2.736 20 10 FFCDHM O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc([O-])c(Br)c1 ZINC000588408291 845957597 /nfs/dbraw/zinc/95/75/97/845957597.db2.gz BTCOVDOVBOMQQC-UTCJRWHESA-N -1 3 364.195 2.896 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cccc(O)c1[O-] ZINC000193062705 971761255 /nfs/dbraw/zinc/76/12/55/971761255.db2.gz QDVGOACCRSVDCY-LBPRGKRZSA-N -1 3 362.376 2.770 20 10 FFCDHM COC(=O)c1c(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c2cc(F)ccc2n1C ZINC001593866828 955585566 /nfs/dbraw/zinc/58/55/66/955585566.db2.gz QOMWFYJYHRMSNS-DGCLKSJQSA-N -1 3 362.401 2.647 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CCCCC2)N(C)C)cc1 ZINC001604083475 972482051 /nfs/dbraw/zinc/48/20/51/972482051.db2.gz LZYFOVNNZJFPTR-QGZVFWFLSA-N -1 3 361.486 2.507 20 10 FFCDHM O=C1N(Cc2ccncc2)CC[C@@]12CCCN2Cc1c([O-])cccc1F ZINC001276036911 1013299997 /nfs/dbraw/zinc/29/99/97/1013299997.db2.gz CCHFTMKUTFYLNB-FQEVSTJZSA-N -1 3 355.413 2.693 20 10 FFCDHM CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895023880 967170840 /nfs/dbraw/zinc/17/08/40/967170840.db2.gz ABOLMRGJGFQGQL-UHFFFAOYSA-N -1 3 372.412 2.522 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000177231003 969135480 /nfs/dbraw/zinc/13/54/80/969135480.db2.gz NDWPYHKKFFLZNT-UHFFFAOYSA-N -1 3 356.397 2.692 20 10 FFCDHM CCN(C(=O)[C@@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2)C(C)C ZINC001271158653 970633505 /nfs/dbraw/zinc/63/35/05/970633505.db2.gz MUVZOCPCTIMUFA-HNNXBMFYSA-N -1 3 360.454 2.597 20 10 FFCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001595747622 982414675 /nfs/dbraw/zinc/41/46/75/982414675.db2.gz HAUXXOVIMNGRTC-HNNXBMFYSA-N -1 3 362.470 2.706 20 10 FFCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001595747622 982414681 /nfs/dbraw/zinc/41/46/81/982414681.db2.gz HAUXXOVIMNGRTC-HNNXBMFYSA-N -1 3 362.470 2.706 20 10 FFCDHM COc1ccnc(O[C@@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142530363 982612362 /nfs/dbraw/zinc/61/23/62/982612362.db2.gz GIFUVEPONSKYEH-GFCCVEGCSA-N -1 3 351.353 2.512 20 10 FFCDHM COc1c([O-])c(CN2Cc3ncccc3N3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000898167710 982633281 /nfs/dbraw/zinc/63/32/81/982633281.db2.gz MUCZWECMHVGIQM-AWEZNQCLSA-N -1 3 370.409 2.689 20 10 FFCDHM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(O)c1[O-] ZINC000186917480 989390622 /nfs/dbraw/zinc/39/06/22/989390622.db2.gz FOMCQTAZJGFSFI-UHFFFAOYSA-N -1 3 351.406 2.955 20 10 FFCDHM C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593298328 994713603 /nfs/dbraw/zinc/71/36/03/994713603.db2.gz IHDWOFDONKURGN-ZDUSSCGKSA-N -1 3 352.394 2.581 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001144299938 998286556 /nfs/dbraw/zinc/28/65/56/998286556.db2.gz MWHGWBXNWVKKIJ-CYBMUJFWSA-N -1 3 373.266 2.590 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001148579837 1001174326 /nfs/dbraw/zinc/17/43/26/1001174326.db2.gz BFRAZNZNSPWECG-KGLIPLIRSA-N -1 3 356.422 2.538 20 10 FFCDHM C[C@H](Cc1ccccc1Br)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591029 1001176752 /nfs/dbraw/zinc/17/67/52/1001176752.db2.gz RIYWIOIPNYVWDZ-SECBINFHSA-N -1 3 366.211 2.927 20 10 FFCDHM COCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276191665 1016501316 /nfs/dbraw/zinc/50/13/16/1016501316.db2.gz PIJPYDJCJWSUSC-IBGZPJMESA-N -1 3 368.424 2.664 20 10 FFCDHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(O)c3[O-])n2)o1 ZINC000790488946 1002391566 /nfs/dbraw/zinc/39/15/66/1002391566.db2.gz UNIBUJFNLMWOHT-UHFFFAOYSA-N -1 3 373.390 2.703 20 10 FFCDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OCC(F)(F)F ZINC000790543660 1002421481 /nfs/dbraw/zinc/42/14/81/1002421481.db2.gz RECDLQKCEYKNTL-UHFFFAOYSA-N -1 3 371.311 2.978 20 10 FFCDHM Nc1ccc(CCC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001183936935 1002433019 /nfs/dbraw/zinc/43/30/19/1002433019.db2.gz XHROCLXQGGXORO-UHFFFAOYSA-N -1 3 356.813 2.820 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1-c1nnn[n-]1 ZINC001186999117 1003527750 /nfs/dbraw/zinc/52/77/50/1003527750.db2.gz JCBQEYDQRWAWBV-UHFFFAOYSA-N -1 3 350.426 2.595 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1-c1nn[n-]n1 ZINC001186999117 1003527757 /nfs/dbraw/zinc/52/77/57/1003527757.db2.gz JCBQEYDQRWAWBV-UHFFFAOYSA-N -1 3 350.426 2.595 20 10 FFCDHM Cc1ccccc1C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000102484921 1003825402 /nfs/dbraw/zinc/82/54/02/1003825402.db2.gz YJGXMMCPQRUUBW-UHFFFAOYSA-N -1 3 374.462 2.534 20 10 FFCDHM [O-]c1cccc(Br)c1CNCc1nc(-c2ccccn2)n[nH]1 ZINC001181776676 1010241818 /nfs/dbraw/zinc/24/18/18/1010241818.db2.gz UJEIZZAODFZPGU-UHFFFAOYSA-N -1 3 360.215 2.625 20 10 FFCDHM COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(F)cc1F ZINC001275229935 1012112144 /nfs/dbraw/zinc/11/21/44/1012112144.db2.gz SNZHQBOQEXMKHN-HZPDHXFCSA-N -1 3 368.424 2.661 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(Cl)ccc2[O-])C1=O ZINC001275247748 1012136433 /nfs/dbraw/zinc/13/64/33/1012136433.db2.gz FVOYAEXACXUIIA-XIKOKIGWSA-N -1 3 350.846 2.590 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000928709826 1019083024 /nfs/dbraw/zinc/08/30/24/1019083024.db2.gz MENHKPDYJPGMRQ-QGZVFWFLSA-N -1 3 358.369 2.579 20 10 FFCDHM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1c([O-])cccc1F ZINC000928710992 1019086627 /nfs/dbraw/zinc/08/66/27/1019086627.db2.gz YWWCBDIHRXNGEA-SFHVURJKSA-N -1 3 356.397 2.684 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)CC1 ZINC000189220879 1023229435 /nfs/dbraw/zinc/22/94/35/1023229435.db2.gz CZTACFAODCPQRH-UHFFFAOYSA-N -1 3 350.422 2.658 20 10 FFCDHM CCOC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1cccc(O)c1 ZINC000779203205 1023353628 /nfs/dbraw/zinc/35/36/28/1023353628.db2.gz SMFUJFGYCYEREG-QGZVFWFLSA-N -1 3 361.369 2.834 20 10 FFCDHM Cn1cc(C[N@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])cn1 ZINC000076919041 1023495512 /nfs/dbraw/zinc/49/55/12/1023495512.db2.gz MRZIJIYCWTYMMZ-UHFFFAOYSA-N -1 3 351.406 2.694 20 10 FFCDHM Cn1cc(C[N@@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])cn1 ZINC000076919041 1023495516 /nfs/dbraw/zinc/49/55/16/1023495516.db2.gz MRZIJIYCWTYMMZ-UHFFFAOYSA-N -1 3 351.406 2.694 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CC[C@@H](C)[NH2+]C3)c1C2=O ZINC001218398777 1033138628 /nfs/dbraw/zinc/13/86/28/1033138628.db2.gz NFTYXNVXSPSERQ-YPMHNXCESA-N -1 3 367.401 2.701 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)Cc1ccon1 ZINC001122037344 1024279434 /nfs/dbraw/zinc/27/94/34/1024279434.db2.gz YENAZYGOQYEQDI-UHFFFAOYSA-N -1 3 356.411 2.905 20 10 FFCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000779645358 1024347843 /nfs/dbraw/zinc/34/78/43/1024347843.db2.gz XFQOZKWQPCDZJT-OLZOCXBDSA-N -1 3 364.442 2.863 20 10 FFCDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000779645364 1024348602 /nfs/dbraw/zinc/34/86/02/1024348602.db2.gz XFQOZKWQPCDZJT-STQMWFEESA-N -1 3 364.442 2.863 20 10 FFCDHM Cc1cc(C[C@@H](C)NC(=O)c2cccc(O)c2[O-])n(-c2ccccc2)n1 ZINC000193143412 1024398911 /nfs/dbraw/zinc/39/89/11/1024398911.db2.gz IDUXIXQUSGMTAE-CYBMUJFWSA-N -1 3 351.406 2.953 20 10 FFCDHM O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001141284422 1025760065 /nfs/dbraw/zinc/76/00/65/1025760065.db2.gz ZEBVOIKIIIFTGN-CYBMUJFWSA-N -1 3 355.312 2.970 20 10 FFCDHM CN1C(=O)C[C@H](C(=O)NCc2c([O-])cccc2F)[C@H]1c1ccc(F)cc1 ZINC001156171293 1029073284 /nfs/dbraw/zinc/07/32/84/1029073284.db2.gz ZGFWKMDTPBRCPM-SCLBCKFNSA-N -1 3 360.360 2.506 20 10 FFCDHM COc1cnc(OC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)nc1 ZINC001142530269 1030579780 /nfs/dbraw/zinc/57/97/80/1030579780.db2.gz BJXIFWNNWUEMLA-UHFFFAOYSA-N -1 3 351.353 2.512 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCN(c3ncccc3F)CC2)c1[O-] ZINC000784400559 1030602831 /nfs/dbraw/zinc/60/28/31/1030602831.db2.gz YPBBENZAIXNFAX-UHFFFAOYSA-N -1 3 361.392 2.980 20 10 FFCDHM CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc([O-])ccc1Cl ZINC001142690882 1030728146 /nfs/dbraw/zinc/72/81/46/1030728146.db2.gz QDVRMPLMCCQQGL-UHFFFAOYSA-N -1 3 363.797 2.957 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2ncccn2n1 ZINC001150690828 1031769384 /nfs/dbraw/zinc/76/93/84/1031769384.db2.gz HIBGEDJOPIGWQH-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCc1c([O-])cccc1F)C2 ZINC000830181217 1033495913 /nfs/dbraw/zinc/49/59/13/1033495913.db2.gz YDVBSAUBLALSFR-XUJVJEKNSA-N -1 3 364.417 2.936 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001138127792 1033811469 /nfs/dbraw/zinc/81/14/69/1033811469.db2.gz QLYCKIIJGHQVLH-UHFFFAOYSA-N -1 3 356.323 2.662 20 10 FFCDHM Nc1cncc(CCC(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001220212458 1034049734 /nfs/dbraw/zinc/04/97/34/1034049734.db2.gz KKFGQCPPJXZVFS-UHFFFAOYSA-N -1 3 356.813 2.820 20 10 FFCDHM CCCCN1C[C@@]2(CC1=O)COCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001277097626 1034517567 /nfs/dbraw/zinc/51/75/67/1034517567.db2.gz JFEMRWFNSZTGQI-IBGZPJMESA-N -1 3 368.424 2.521 20 10 FFCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682126 1035197274 /nfs/dbraw/zinc/19/72/74/1035197274.db2.gz PRRYDAKGHJHNNT-UHFFFAOYSA-N -1 3 350.413 2.723 20 10 FFCDHM CCOCc1ncn2c1CN(Cc1c([O-])cccc1Br)CC2 ZINC001140101312 1035341397 /nfs/dbraw/zinc/34/13/97/1035341397.db2.gz NUHYKKWIGGRPTP-UHFFFAOYSA-N -1 3 366.259 2.904 20 10 FFCDHM Cc1ccnc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC001140102670 1035342789 /nfs/dbraw/zinc/34/27/89/1035342789.db2.gz VYMDXRYFQROOEQ-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1c([O-])cccc1Cl ZINC001140338290 1035442787 /nfs/dbraw/zinc/44/27/87/1035442787.db2.gz DPBDMZSMRPKDOY-INIZCTEOSA-N -1 3 362.861 2.793 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1c([O-])cccc1Cl ZINC001140339174 1035443630 /nfs/dbraw/zinc/44/36/30/1035443630.db2.gz ULJJOJKIDKMEDV-ZBFHGGJFSA-N -1 3 368.861 2.866 20 10 FFCDHM CC(C)C(=O)N1CCC[C@]2(CN(Cc3c([O-])cccc3Cl)CCO2)C1 ZINC001140338923 1035443894 /nfs/dbraw/zinc/44/38/94/1035443894.db2.gz BCOIJTZWCCDFRK-IBGZPJMESA-N -1 3 366.889 2.895 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2cn(C)nc21 ZINC001232267885 1035537912 /nfs/dbraw/zinc/53/79/12/1035537912.db2.gz KMEDZTKEGSCETE-CQSZACIVSA-N -1 3 365.861 2.924 20 10 FFCDHM Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)CN(C)C)c1C2=O ZINC001227995034 1035859997 /nfs/dbraw/zinc/85/99/97/1035859997.db2.gz QZLHNVNPRDVAKO-LLVKDONJSA-N -1 3 355.390 2.511 20 10 FFCDHM COC(=O)[C@@H]1CCCCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233135392 1036385457 /nfs/dbraw/zinc/38/54/57/1036385457.db2.gz RUDKOURXDOPTEC-LBPRGKRZSA-N -1 3 358.232 2.691 20 10 FFCDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Br)c(OC)cc1[O-] ZINC001233142391 1036390824 /nfs/dbraw/zinc/39/08/24/1036390824.db2.gz OVCICKLFUZUVQO-BPYAMOTFSA-N -1 3 370.243 2.689 20 10 FFCDHM COc1cc([O-])c(CN2CCc3c(=O)[nH]ccc3C2)cc1Br ZINC001233141984 1036392006 /nfs/dbraw/zinc/39/20/06/1036392006.db2.gz OZVWMPDVBCTBSK-UHFFFAOYSA-N -1 3 365.227 2.822 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](CO)CC2)c1 ZINC001233306088 1036511712 /nfs/dbraw/zinc/51/17/12/1036511712.db2.gz FATYNTRARYAQAN-LLVKDONJSA-N -1 3 372.259 2.536 20 10 FFCDHM CC(=O)N1CCC[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229185714 1036537607 /nfs/dbraw/zinc/53/76/07/1036537607.db2.gz AKKPLHLVCRKIIT-CYBMUJFWSA-N -1 3 365.385 2.557 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001233333363 1036538554 /nfs/dbraw/zinc/53/85/54/1036538554.db2.gz SVOWUPRSIKQZEM-ALKREAHSSA-N -1 3 362.376 2.876 20 10 FFCDHM O=C1C[C@]2(CCN(Cc3c([O-])ccc(F)c3F)C2)CN1c1ccccn1 ZINC001233333573 1036540830 /nfs/dbraw/zinc/54/08/30/1036540830.db2.gz AOXAJZJFEDTZMI-IBGZPJMESA-N -1 3 359.376 2.694 20 10 FFCDHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1c([O-])ccc(F)c1F ZINC001233334200 1036541373 /nfs/dbraw/zinc/54/13/73/1036541373.db2.gz XLIVJAXXLAMBRG-KGLIPLIRSA-N -1 3 365.405 2.616 20 10 FFCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234553124 1037082797 /nfs/dbraw/zinc/08/27/97/1037082797.db2.gz VRPXIBDNWDMELX-LJQANCHMSA-N -1 3 357.406 2.651 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCCC[C@@](O)(CF)C1 ZINC001235298734 1037459363 /nfs/dbraw/zinc/45/93/63/1037459363.db2.gz TUPDBYOTSJSSPV-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM O=C([O-])c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c(O)c1 ZINC001231447424 1037584875 /nfs/dbraw/zinc/58/48/75/1037584875.db2.gz SZNYRTOHMMPELA-QPJJXVBHSA-N -1 3 352.434 2.921 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231451389 1037590931 /nfs/dbraw/zinc/59/09/31/1037590931.db2.gz YBGBIYZFNZXTTN-ZFWWWQNUSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231451389 1037590940 /nfs/dbraw/zinc/59/09/40/1037590940.db2.gz YBGBIYZFNZXTTN-ZFWWWQNUSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231451732 1037592391 /nfs/dbraw/zinc/59/23/91/1037592391.db2.gz SKUUUFZCRPHXPO-CYBMUJFWSA-N -1 3 364.442 2.827 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231451732 1037592399 /nfs/dbraw/zinc/59/23/99/1037592399.db2.gz SKUUUFZCRPHXPO-CYBMUJFWSA-N -1 3 364.442 2.827 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c([O-])c1 ZINC001231452896 1037594393 /nfs/dbraw/zinc/59/43/93/1037594393.db2.gz WKTYGEYTYLOJAN-UHFFFAOYSA-N -1 3 371.315 2.872 20 10 FFCDHM C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231563522 1037687263 /nfs/dbraw/zinc/68/72/63/1037687263.db2.gz BZZFKLCOMDZUAA-WFASDCNBSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCCN1C(=O)OC(C)(C)C ZINC001231565302 1037689007 /nfs/dbraw/zinc/68/90/07/1037689007.db2.gz DOHUOBLYOCPCHJ-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278023142 1038330870 /nfs/dbraw/zinc/33/08/70/1038330870.db2.gz LXQZQSSEJIOKKX-KPZWWZAWSA-N -1 3 370.852 2.787 20 10 FFCDHM COCCCN1CC[C@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278025736 1038344394 /nfs/dbraw/zinc/34/43/94/1038344394.db2.gz ZDLDAZREPXWSSF-GOSISDBHSA-N -1 3 370.852 2.788 20 10 FFCDHM COc1cc([O-])c(CN2C[C@@H](CO)CC(F)(F)C2)c(Br)c1 ZINC001237061398 1038428798 /nfs/dbraw/zinc/42/87/98/1038428798.db2.gz GABGKEXNQCKIQO-VIFPVBQESA-N -1 3 366.202 2.613 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605679 1038620982 /nfs/dbraw/zinc/62/09/82/1038620982.db2.gz NKVYAYVNEGSLAE-JLTOFOAXSA-N -1 3 360.454 2.846 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605679 1038620983 /nfs/dbraw/zinc/62/09/83/1038620983.db2.gz NKVYAYVNEGSLAE-JLTOFOAXSA-N -1 3 360.454 2.846 20 10 FFCDHM CN1CCO[C@@]2(CCCN(Cc3cc(Br)c(F)cc3[O-])C2)C1 ZINC001278391230 1038812005 /nfs/dbraw/zinc/81/20/05/1038812005.db2.gz OEOTUKXGJXEPFJ-INIZCTEOSA-N -1 3 373.266 2.590 20 10 FFCDHM CC(C)(C)OC[C@@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001253464837 1040194874 /nfs/dbraw/zinc/19/48/74/1040194874.db2.gz RKAIRJWPUXIEGF-LBPRGKRZSA-N -1 3 369.417 2.756 20 10 FFCDHM COc1cc([O-])c(CN2CCSCC2)cc1I ZINC001248461946 1040281067 /nfs/dbraw/zinc/28/10/67/1040281067.db2.gz IEXUMNAQJGSBCN-UHFFFAOYSA-N -1 3 365.236 2.554 20 10 FFCDHM COc1cc([O-])c(CN2C[C@@H](C)[C@@H](F)C2)cc1I ZINC001248462114 1040285209 /nfs/dbraw/zinc/28/52/09/1040285209.db2.gz NRFIUJITFBMJBO-SCZZXKLOSA-N -1 3 365.186 2.795 20 10 FFCDHM COc1cc([O-])c(CN(C)Cc2ccon2)cc1I ZINC001248472018 1040291175 /nfs/dbraw/zinc/29/11/75/1040291175.db2.gz KLYFPEWDWPDQGM-UHFFFAOYSA-N -1 3 374.178 2.625 20 10 FFCDHM CCOC(=O)c1cc2n(n1)C[C@@H](C)N(Cc1c([O-])ccc3ccncc31)C2 ZINC001262056165 1041534517 /nfs/dbraw/zinc/53/45/17/1041534517.db2.gz GVKFYZBWVPJBDT-CYBMUJFWSA-N -1 3 366.421 2.718 20 10 FFCDHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(CO)c2)cc1Cl ZINC001216141843 1041961872 /nfs/dbraw/zinc/96/18/72/1041961872.db2.gz OUHWGTWTSASWNU-UHFFFAOYSA-N -1 3 363.222 2.574 20 10 FFCDHM CCn1ccnc1CN1CC2(C1)CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001279433654 1043108106 /nfs/dbraw/zinc/10/81/06/1043108106.db2.gz YVBQZYMLZFDTKY-UHFFFAOYSA-N -1 3 360.889 2.888 20 10 FFCDHM Cc1cc([O-])c(CN2CC(N3C[C@@H](C)O[C@H](C)C3)C2)cc1Br ZINC001237683602 1043309643 /nfs/dbraw/zinc/30/96/43/1043309643.db2.gz CWXQOCQWLNORAP-CHWSQXEVSA-N -1 3 369.303 2.757 20 10 FFCDHM C[C@@H]1CCN(Cc2cccc(I)c2[O-])C[C@]1(C)O ZINC001237775087 1043350169 /nfs/dbraw/zinc/35/01/69/1043350169.db2.gz CKHYKSIMJJUEFR-YGRLFVJLSA-N -1 3 361.223 2.590 20 10 FFCDHM C[C@H](NC(=O)[C@]12C[C@H]1CCN2Cc1cc(Cl)ccc1[O-])c1ncc[nH]1 ZINC001279984002 1044035137 /nfs/dbraw/zinc/03/51/37/1044035137.db2.gz YFZIWKURTFKVHI-SRBZOADZSA-N -1 3 360.845 2.611 20 10 FFCDHM CCn1ncn([N-]C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1=O ZINC001298672583 1050503720 /nfs/dbraw/zinc/50/37/20/1050503720.db2.gz YDFGHXXJJRPOKP-UHFFFAOYSA-N -1 3 359.817 2.510 20 10 FFCDHM COc1ccc(CS(C)(=O)=O)cc1NCc1cc(F)c(F)cc1[O-] ZINC001308761314 1052496741 /nfs/dbraw/zinc/49/67/41/1052496741.db2.gz VTCMOTNHJSCYED-UHFFFAOYSA-N -1 3 357.378 2.836 20 10 FFCDHM CC(=O)NC[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001308892953 1052513449 /nfs/dbraw/zinc/51/34/49/1052513449.db2.gz PZTDQVILXJCFEQ-CQSZACIVSA-N -1 3 355.276 2.954 20 10 FFCDHM Cn1nc(C(=O)[N-]c2c3nonc3ccc2Cl)cc1Br ZINC001520359621 1059636668 /nfs/dbraw/zinc/63/66/68/1059636668.db2.gz RNXQNILXYXMZIY-UHFFFAOYSA-N -1 3 356.567 2.625 20 10 FFCDHM Nc1c(F)cc(Br)cc1C(=O)NCc1c([O-])cccc1F ZINC001456027098 1059988829 /nfs/dbraw/zinc/98/88/29/1059988829.db2.gz CRPPPCQPQQTXKA-UHFFFAOYSA-N -1 3 357.154 2.945 20 10 FFCDHM COC(=O)C1([C@]2(O)CCCN(Cc3c([O-])ccc(Cl)c3F)C2)CCC1 ZINC001462610944 1061691162 /nfs/dbraw/zinc/69/11/62/1061691162.db2.gz IJJXNLXOAITSSC-SFHVURJKSA-N -1 3 371.836 2.855 20 10 FFCDHM O=C(/C=C/c1ccccc1)NCCCNC(=O)NCc1c([O-])cccc1F ZINC001478522739 1062040660 /nfs/dbraw/zinc/04/06/60/1062040660.db2.gz PPNPNKWIXZSVMD-ZHACJKMWSA-N -1 3 371.412 2.550 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)NOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001581181759 1078929820 /nfs/dbraw/zinc/92/98/20/1078929820.db2.gz AYHGYNTXLXKVRU-UHFFFAOYSA-N -1 3 374.404 2.998 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)NOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001581181759 1078929823 /nfs/dbraw/zinc/92/98/23/1078929823.db2.gz AYHGYNTXLXKVRU-UHFFFAOYSA-N -1 3 374.404 2.998 20 10 FFCDHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c(C)n1-c1ccccn1 ZINC001557791717 1075892234 /nfs/dbraw/zinc/89/22/34/1075892234.db2.gz SKIDEZIIRFCNOY-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c(C)n1-c1ccccn1 ZINC001557791717 1075892238 /nfs/dbraw/zinc/89/22/38/1075892238.db2.gz SKIDEZIIRFCNOY-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1cccc(O)c1[O-] ZINC001557875940 1075905205 /nfs/dbraw/zinc/90/52/05/1075905205.db2.gz GPLJCMDCZALVTL-UHFFFAOYSA-N -1 3 355.244 2.856 20 10 FFCDHM C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693475 1076291897 /nfs/dbraw/zinc/29/18/97/1076291897.db2.gz JDZKQBNGXPGGHP-RKDXNWHRSA-N -1 3 361.667 2.894 20 10 FFCDHM C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960953 1080904622 /nfs/dbraw/zinc/90/46/22/1080904622.db2.gz LHPRKQCAEMRBFJ-GFCCVEGCSA-N -1 3 363.425 2.732 20 10 FFCDHM C[C@@](O)(CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000371116904 512226216 /nfs/dbraw/zinc/22/62/16/512226216.db2.gz HJGPXRGUMKEGCW-QFBILLFUSA-N -1 3 366.889 2.677 20 10 FFCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000375262183 512238603 /nfs/dbraw/zinc/23/86/03/512238603.db2.gz OXYLNOXDFMLQQO-OAHLLOKOSA-N -1 3 365.861 2.978 20 10 FFCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000055639104 506810018 /nfs/dbraw/zinc/81/00/18/506810018.db2.gz ABQDPYUOPZPDSU-UHFFFAOYSA-N -1 3 368.480 2.811 20 10 FFCDHM CC1CCC(N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)CC1 ZINC000094062635 508166367 /nfs/dbraw/zinc/16/63/67/508166367.db2.gz IMTMCOCLUYZLLA-UHFFFAOYSA-N -1 3 366.483 2.947 20 10 FFCDHM COc1ccc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1F ZINC000182583591 509316538 /nfs/dbraw/zinc/31/65/38/509316538.db2.gz RSQFTBXWAGKUBT-UHFFFAOYSA-N -1 3 360.385 2.516 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c([O-])c1O ZINC000179471159 509462709 /nfs/dbraw/zinc/46/27/09/509462709.db2.gz FDEARYDNDPEDCK-CQSZACIVSA-N -1 3 368.393 2.978 20 10 FFCDHM COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000264604571 509618202 /nfs/dbraw/zinc/61/82/02/509618202.db2.gz LEMAZCUAHIJVFM-CQSZACIVSA-N -1 3 358.438 2.719 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC000180066617 509735329 /nfs/dbraw/zinc/73/53/29/509735329.db2.gz GRXWDWZQJXCCIS-CQSZACIVSA-N -1 3 351.248 2.892 20 10 FFCDHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000177515353 510109857 /nfs/dbraw/zinc/10/98/57/510109857.db2.gz FLTQCOMSGSXFTB-UHFFFAOYSA-N -1 3 352.481 2.835 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000177674869 510195068 /nfs/dbraw/zinc/19/50/68/510195068.db2.gz JIKZBCYQUWLLMM-UHFFFAOYSA-N -1 3 356.422 2.767 20 10 FFCDHM C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187800870 510444516 /nfs/dbraw/zinc/44/45/16/510444516.db2.gz PJZUSPOQENYBDL-GZMMTYOYSA-N -1 3 352.303 2.874 20 10 FFCDHM Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187863665 510475635 /nfs/dbraw/zinc/47/56/35/510475635.db2.gz SESRUTHAUXTJHL-BXUZGUMPSA-N -1 3 364.396 2.559 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnnc(C)c1 ZINC000276460281 510938524 /nfs/dbraw/zinc/93/85/24/510938524.db2.gz BYAJMQLYCKNRGR-UHFFFAOYSA-N -1 3 350.216 2.915 20 10 FFCDHM CC1(C)C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277256861 510958133 /nfs/dbraw/zinc/95/81/33/510958133.db2.gz IKPWHRWAKJLYOC-CYBMUJFWSA-N -1 3 352.818 2.767 20 10 FFCDHM CCOC(=O)CC[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277292789 510959037 /nfs/dbraw/zinc/95/90/37/510959037.db2.gz URUIRCIWCBLVLT-LLVKDONJSA-N -1 3 368.817 2.542 20 10 FFCDHM COC(=O)c1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])oc1C ZINC000278159594 510983743 /nfs/dbraw/zinc/98/37/43/510983743.db2.gz DGNULKWPJUXIJA-UHFFFAOYSA-N -1 3 364.354 2.629 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000278247247 510986218 /nfs/dbraw/zinc/98/62/18/510986218.db2.gz OULFVKPSDIGNFX-ZDUSSCGKSA-N -1 3 374.397 2.949 20 10 FFCDHM COc1c([O-])c(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278251230 510986849 /nfs/dbraw/zinc/98/68/49/510986849.db2.gz PDXYGGHOSXXJTL-LLVKDONJSA-N -1 3 369.418 2.654 20 10 FFCDHM COc1c([O-])c(CN[C@@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473368 510993829 /nfs/dbraw/zinc/99/38/29/510993829.db2.gz HVTIPNOYBITLOG-HWRSSNJWSA-N -1 3 364.423 2.518 20 10 FFCDHM CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279258357 511023175 /nfs/dbraw/zinc/02/31/75/511023175.db2.gz IZDOTQZXRNVGSD-NSHDSACASA-N -1 3 362.455 2.579 20 10 FFCDHM CCOCC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000288757502 511084307 /nfs/dbraw/zinc/08/43/07/511084307.db2.gz RUWMHKKVQNZKPU-UHFFFAOYSA-N -1 3 354.834 2.873 20 10 FFCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000289875081 511118598 /nfs/dbraw/zinc/11/85/98/511118598.db2.gz ROUZNPSUCMEFNK-MFKMUULPSA-N -1 3 362.289 2.552 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1O ZINC000271331182 511167091 /nfs/dbraw/zinc/16/70/91/511167091.db2.gz YXSHPJHLJACMRA-AWEZNQCLSA-N -1 3 373.384 2.582 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000272527501 511497566 /nfs/dbraw/zinc/49/75/66/511497566.db2.gz ABZNXZATXNLPOL-GFCCVEGCSA-N -1 3 350.415 2.536 20 10 FFCDHM Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1O ZINC000272832661 511509149 /nfs/dbraw/zinc/50/91/49/511509149.db2.gz QAZAYDBYMSPSMN-GFCCVEGCSA-N -1 3 356.378 2.854 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000273002655 511514789 /nfs/dbraw/zinc/51/47/89/511514789.db2.gz OTJZTBWCKDLJGF-QWHCGFSZSA-N -1 3 364.442 2.782 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000273002660 511515164 /nfs/dbraw/zinc/51/51/64/511515164.db2.gz OTJZTBWCKDLJGF-STQMWFEESA-N -1 3 364.442 2.782 20 10 FFCDHM C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391079 511524872 /nfs/dbraw/zinc/52/48/72/511524872.db2.gz KREFCONVZLMBOB-LBPRGKRZSA-N -1 3 364.423 2.696 20 10 FFCDHM CCNC(=O)COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273394984 511525125 /nfs/dbraw/zinc/52/51/25/511525125.db2.gz LSGCOJJBQZABNZ-CYBMUJFWSA-N -1 3 373.409 2.666 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000273469170 511527749 /nfs/dbraw/zinc/52/77/49/511527749.db2.gz FHODAQLDTCGNTF-LLVKDONJSA-N -1 3 360.366 2.946 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273478957 511528150 /nfs/dbraw/zinc/52/81/50/511528150.db2.gz LNEABFLYRLVZLH-KBXCAEBGSA-N -1 3 368.433 2.631 20 10 FFCDHM Cc1cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n2ncnc2n1 ZINC000301172183 511689739 /nfs/dbraw/zinc/68/97/39/511689739.db2.gz GQVPYPTTWJMFMT-HNNXBMFYSA-N -1 3 372.860 2.868 20 10 FFCDHM CNC(=O)COc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c(C)c1 ZINC000281207924 511759654 /nfs/dbraw/zinc/75/96/54/511759654.db2.gz SLIWRGBRMNNJOY-CYBMUJFWSA-N -1 3 372.421 2.785 20 10 FFCDHM C[C@]1(c2ccccc2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000364052233 511930269 /nfs/dbraw/zinc/93/02/69/511930269.db2.gz BEJADFOEYCMRDJ-IBGZPJMESA-N -1 3 374.462 2.568 20 10 FFCDHM CCOCCCNC(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000275023557 512019300 /nfs/dbraw/zinc/01/93/00/512019300.db2.gz SGAYURCMDBCXSV-UHFFFAOYSA-N -1 3 358.394 2.507 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@H]21 ZINC000293680602 512049072 /nfs/dbraw/zinc/04/90/72/512049072.db2.gz LJJAVFRCYUYNOV-TZMCWYRMSA-N -1 3 362.426 2.569 20 10 FFCDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Br)cc(C)c1[O-] ZINC000359995312 512060758 /nfs/dbraw/zinc/06/07/58/512060758.db2.gz CVVZSURYGSISHW-KBPBESRZSA-N -1 3 372.259 2.616 20 10 FFCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cccnc1N1CCOCC1 ZINC000293821090 512091904 /nfs/dbraw/zinc/09/19/04/512091904.db2.gz DGWVCPLVSJHRQX-UHFFFAOYSA-N -1 3 351.809 2.706 20 10 FFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCOC[C@@H]1c1ncon1 ZINC000371804763 512581030 /nfs/dbraw/zinc/58/10/30/512581030.db2.gz ZSMIHOSAMKEZFV-GOSISDBHSA-N -1 3 367.405 2.928 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000374012754 512620748 /nfs/dbraw/zinc/62/07/48/512620748.db2.gz FZORDWLJABVZGE-NQCMUKECSA-N -1 3 351.418 2.892 20 10 FFCDHM COc1ccc(-c2nc(CCNC(=O)c3cccc(O)c3[O-])co2)cc1 ZINC000370040118 512738251 /nfs/dbraw/zinc/73/82/51/512738251.db2.gz HVRYYPKHWAAOOD-UHFFFAOYSA-N -1 3 354.362 2.734 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000528282733 518163522 /nfs/dbraw/zinc/16/35/22/518163522.db2.gz RONKZWBGGAMDFM-PUXPGTEJSA-N -1 3 357.248 2.766 20 10 FFCDHM CC(C)Oc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735912435 598319880 /nfs/dbraw/zinc/31/98/80/598319880.db2.gz CONRRSSEPKBKOD-UHFFFAOYSA-N -1 3 369.454 2.967 20 10 FFCDHM COc1ccc(O)c([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737105892 598756328 /nfs/dbraw/zinc/75/63/28/598756328.db2.gz LVMANHLBKZBKNI-SECBINFHSA-N -1 3 356.342 2.662 20 10 FFCDHM COc1ccc(O)c([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737105892 598756329 /nfs/dbraw/zinc/75/63/29/598756329.db2.gz LVMANHLBKZBKNI-SECBINFHSA-N -1 3 356.342 2.662 20 10 FFCDHM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000833306823 601632301 /nfs/dbraw/zinc/63/23/01/601632301.db2.gz AEKWBLSGYXDSQK-ROUUACIJSA-N -1 3 357.406 2.623 20 10 FFCDHM CCN(Cc1cc(-c2nnn[n-]2)ccc1OC)c1ccc(OC)c(OC)c1 ZINC000825428452 607642363 /nfs/dbraw/zinc/64/23/63/607642363.db2.gz NJHMFVGPJVUHAA-UHFFFAOYSA-N -1 3 369.425 2.919 20 10 FFCDHM CCN(Cc1cc(-c2nn[n-]n2)ccc1OC)c1ccc(OC)c(OC)c1 ZINC000825428452 607642364 /nfs/dbraw/zinc/64/23/64/607642364.db2.gz NJHMFVGPJVUHAA-UHFFFAOYSA-N -1 3 369.425 2.919 20 10 FFCDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812368 605600324 /nfs/dbraw/zinc/60/03/24/605600324.db2.gz IYOGZRQXOBKFFP-GOEBONIOSA-N -1 3 365.449 2.530 20 10 FFCDHM Cc1nc(-c2cccnc2)cc(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC000826323128 607935542 /nfs/dbraw/zinc/93/55/42/607935542.db2.gz RFDJLTMHJJBGJE-UHFFFAOYSA-N -1 3 356.393 2.721 20 10 FFCDHM Cc1nc(-c2cccnc2)cc(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC000826323128 607935543 /nfs/dbraw/zinc/93/55/43/607935543.db2.gz RFDJLTMHJJBGJE-UHFFFAOYSA-N -1 3 356.393 2.721 20 10 FFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000153994265 728793589 /nfs/dbraw/zinc/79/35/89/728793589.db2.gz LFDCZUAKZVRMJS-GFCCVEGCSA-N -1 3 357.248 2.865 20 10 FFCDHM COC(=O)C[C@H]1CSCCN1Cc1cc(Br)ccc1[O-] ZINC000093610416 728476576 /nfs/dbraw/zinc/47/65/76/728476576.db2.gz KKBMMNDRMXUSEJ-LBPRGKRZSA-N -1 3 360.273 2.635 20 10 FFCDHM O=C(C1CC1)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000119056787 728587135 /nfs/dbraw/zinc/58/71/35/728587135.db2.gz RPHPJKHLDIIYET-UHFFFAOYSA-N -1 3 353.260 2.599 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)n(C)n1)Cc1cc(Cl)ccc1[O-] ZINC000859189927 730444710 /nfs/dbraw/zinc/44/47/10/730444710.db2.gz YLVLVARWBSBZSS-UHFFFAOYSA-N -1 3 358.225 2.608 20 10 FFCDHM COC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)c(F)c1 ZINC000779652272 738474775 /nfs/dbraw/zinc/47/47/75/738474775.db2.gz NEQACIRMPNXBEX-CYBMUJFWSA-N -1 3 353.733 2.534 20 10 FFCDHM COC(=O)[C@H](COC(C)C)N(C)Cc1c([O-])cccc1Br ZINC000862254220 730682763 /nfs/dbraw/zinc/68/27/63/730682763.db2.gz WPJIXBJFWRBFBJ-ZDUSSCGKSA-N -1 3 360.248 2.553 20 10 FFCDHM Cc1nccc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862326133 730687584 /nfs/dbraw/zinc/68/75/84/730687584.db2.gz JMZISJXPJDAGCW-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CS(=O)(=O)c1ccc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)cc1 ZINC000862437981 730702540 /nfs/dbraw/zinc/70/25/40/730702540.db2.gz KBKMMNFZLUNKQX-SFHVURJKSA-N -1 3 365.426 2.508 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C)CC(C)(C)S(C)(=O)=O)c1 ZINC000781907185 738670996 /nfs/dbraw/zinc/67/09/96/738670996.db2.gz FXNPEJPGLIWGRG-UHFFFAOYSA-N -1 3 364.305 2.718 20 10 FFCDHM O=C(NCC(F)(F)F)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893962975 734778680 /nfs/dbraw/zinc/77/86/80/734778680.db2.gz VJVZKORMIPFRNC-UHFFFAOYSA-N -1 3 352.303 2.561 20 10 FFCDHM O=C1N[C@H](C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)CO1 ZINC000897019203 735192109 /nfs/dbraw/zinc/19/21/09/735192109.db2.gz LQRKUAIXOGGZPY-ZDUSSCGKSA-N -1 3 373.222 2.614 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756536718 736339789 /nfs/dbraw/zinc/33/97/89/736339789.db2.gz SZNZRMSZQAGPIL-QWRGUYRKSA-N -1 3 370.421 2.990 20 10 FFCDHM CC(C)CNC(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768227731 737407731 /nfs/dbraw/zinc/40/77/31/737407731.db2.gz FNLMHLBNYZGXGY-UHFFFAOYSA-N -1 3 369.849 2.938 20 10 FFCDHM O=C1NCCN(Cc2cc(Br)ccc2[O-])[C@H]1c1cccs1 ZINC000769482472 737533933 /nfs/dbraw/zinc/53/39/33/737533933.db2.gz ZPJVUIJZCIXOSV-AWEZNQCLSA-N -1 3 367.268 2.889 20 10 FFCDHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770502848 737633437 /nfs/dbraw/zinc/63/34/37/737633437.db2.gz NXSINMNNDMJGPD-UHFFFAOYSA-N -1 3 364.423 2.810 20 10 FFCDHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775878339 738134829 /nfs/dbraw/zinc/13/48/29/738134829.db2.gz AQXDNHZROVYOTA-LSDHHAIUSA-N -1 3 369.845 2.791 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCc1c([O-])cccc1F ZINC000928706164 738897753 /nfs/dbraw/zinc/89/77/53/738897753.db2.gz SLUFMBYEISELBE-NSHDSACASA-N -1 3 362.348 2.696 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1nc(N2CCCC2)ncc1Cl ZINC000928711660 738898696 /nfs/dbraw/zinc/89/86/96/738898696.db2.gz KXHPVFQBMZMTCY-UHFFFAOYSA-N -1 3 350.781 2.505 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000799090610 740387497 /nfs/dbraw/zinc/38/74/97/740387497.db2.gz MBDQWZAYMFUVTD-ZDUSSCGKSA-N -1 3 352.431 2.767 20 10 FFCDHM CC(C)(C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000799776242 740450539 /nfs/dbraw/zinc/45/05/39/740450539.db2.gz ONBCGTPLIXMQTH-OAHLLOKOSA-N -1 3 374.934 2.976 20 10 FFCDHM CN1CCN(C(=O)c2cccc(O)c2[O-])c2ccc(Br)cc21 ZINC000804440292 740873988 /nfs/dbraw/zinc/87/39/88/740873988.db2.gz CZYHXUPYBXYMOV-UHFFFAOYSA-N -1 3 363.211 2.957 20 10 FFCDHM COC(=O)CN(Cc1cn(C2CCC2)nn1)Cc1cc(Cl)ccc1[O-] ZINC000824768984 743145570 /nfs/dbraw/zinc/14/55/70/743145570.db2.gz OUJBFZRCZDGEMV-UHFFFAOYSA-N -1 3 364.833 2.537 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000840953732 747241703 /nfs/dbraw/zinc/24/17/03/747241703.db2.gz XUHGQVHQWBXUQU-UHFFFAOYSA-N -1 3 362.817 2.979 20 10 FFCDHM O=C1COC2(CN(Cc3ccc(Cl)cc3[O-])C2)CN1CC1CCCC1 ZINC001275895153 1013153272 /nfs/dbraw/zinc/15/32/72/1013153272.db2.gz FYULZMLPFXAYFD-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM O=C1COCC2(CN(Cc3ccc(Cl)cc3[O-])C2)N1CC1CCCC1 ZINC001275895440 1013154668 /nfs/dbraw/zinc/15/46/68/1013154668.db2.gz JBJGTMMGXJTBOP-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM O=C1N(CC2CCOCC2)CC[C@]12CCCN2Cc1c([O-])cccc1F ZINC001276038637 1013350156 /nfs/dbraw/zinc/35/01/56/1013350156.db2.gz YICQTKDSALVGGE-HXUWFJFHSA-N -1 3 362.445 2.525 20 10 FFCDHM CC(C)=CCN1C[C@@]2(F)CN(Cc3cc(F)ccc3[O-])C[C@@]2(F)C1=O ZINC001276064919 1013392814 /nfs/dbraw/zinc/39/28/14/1013392814.db2.gz XYYRVYIVLALTRI-ZWKOTPCHSA-N -1 3 354.372 2.572 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000928709747 974302537 /nfs/dbraw/zinc/30/25/37/974302537.db2.gz FJGQWUWTDGDLLD-LBPRGKRZSA-N -1 3 360.360 2.730 20 10 FFCDHM NC(=O)c1nc(NCc2cc(Cl)c3cccnc3c2[O-])ccc1[N+](=O)[O-] ZINC001168528316 983893857 /nfs/dbraw/zinc/89/38/57/983893857.db2.gz SVMFIXIHLLYWAJ-UHFFFAOYSA-N -1 3 373.756 2.608 20 10 FFCDHM CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001596746402 985065113 /nfs/dbraw/zinc/06/51/13/985065113.db2.gz CQGUPJRCSLENMK-JTQLQIEISA-N -1 3 364.423 2.617 20 10 FFCDHM CN(C)c1ccc(CN(CC(=O)[N-]OCc2ccccc2)C2CC2)cc1 ZINC000765492520 985128326 /nfs/dbraw/zinc/12/83/26/985128326.db2.gz LSVLAJFETFSLGJ-UHFFFAOYSA-N -1 3 353.466 2.965 20 10 FFCDHM COC(=O)c1cc(OC)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168523448 990300661 /nfs/dbraw/zinc/30/06/61/990300661.db2.gz BZQCSUIGCAHHSM-UHFFFAOYSA-N -1 3 374.784 2.791 20 10 FFCDHM COc1cccc([C@H](NCc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])c1 ZINC001599688233 991022382 /nfs/dbraw/zinc/02/23/82/991022382.db2.gz UVUNJQZQSYFJRI-IBGZPJMESA-N -1 3 374.412 2.586 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)c([O-])c1O ZINC000182271017 991994911 /nfs/dbraw/zinc/99/49/11/991994911.db2.gz YFXLALLJTHVWQA-UHFFFAOYSA-N -1 3 365.393 2.955 20 10 FFCDHM [O-]c1c(CNc2cncc(N3CCOCC3)n2)cc(Cl)c2cccnc12 ZINC001168527426 993231773 /nfs/dbraw/zinc/23/17/73/993231773.db2.gz HSRKNODSRRBPBM-UHFFFAOYSA-N -1 3 371.828 2.833 20 10 FFCDHM COc1cc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407499 997351398 /nfs/dbraw/zinc/35/13/98/997351398.db2.gz MIFCBZLGYMAUQO-LJQANCHMSA-N -1 3 362.426 2.504 20 10 FFCDHM CC(=O)N(C)C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306438 998301336 /nfs/dbraw/zinc/30/13/36/998301336.db2.gz BROHWRKYZCHRCB-UHFFFAOYSA-N -1 3 359.239 2.737 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000845997850 1000195238 /nfs/dbraw/zinc/19/52/38/1000195238.db2.gz HWDZGGYXJMLWNS-UHFFFAOYSA-N -1 3 356.376 2.869 20 10 FFCDHM C[C@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCc2ccccc21 ZINC000769749671 1000598029 /nfs/dbraw/zinc/59/80/29/1000598029.db2.gz XRUYTKKHXDOADH-IBGZPJMESA-N -1 3 374.462 2.745 20 10 FFCDHM CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(O)c1[O-] ZINC001148219236 1001071741 /nfs/dbraw/zinc/07/17/41/1001071741.db2.gz XYOMJMRPFZWQDA-CYBMUJFWSA-N -1 3 364.442 2.817 20 10 FFCDHM Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1c([O-])ccc2ccncc21 ZINC000771635170 1001175102 /nfs/dbraw/zinc/17/51/02/1001175102.db2.gz LEXGXVWNIPINAD-GOSISDBHSA-N -1 3 352.438 2.864 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001148584293 1001175109 /nfs/dbraw/zinc/17/51/09/1001175109.db2.gz RFQPMPRHDCQDTO-VLIAUNLRSA-N -1 3 370.405 2.520 20 10 FFCDHM CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000786794995 1001627614 /nfs/dbraw/zinc/62/76/14/1001627614.db2.gz DHFWNDKCCONZQY-UHFFFAOYSA-N -1 3 358.413 2.860 20 10 FFCDHM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])N1CCc2ccccc2C1 ZINC000789964183 1002240493 /nfs/dbraw/zinc/24/04/93/1002240493.db2.gz KTTIEGQICQVESZ-UHFFFAOYSA-N -1 3 358.413 2.804 20 10 FFCDHM COc1c([O-])c(CN(C)Cc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000774823199 1002811165 /nfs/dbraw/zinc/81/11/65/1002811165.db2.gz QHXYRZZHOYRWSK-UHFFFAOYSA-N -1 3 360.366 2.712 20 10 FFCDHM Cc1cnc2ncc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])n2c1 ZINC001198395176 1004619495 /nfs/dbraw/zinc/61/94/95/1004619495.db2.gz ZKUORFILUGNRQK-UHFFFAOYSA-N -1 3 367.796 2.875 20 10 FFCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000776345151 1005380595 /nfs/dbraw/zinc/38/05/95/1005380595.db2.gz NTBBLMVRGSGIAC-STQMWFEESA-N -1 3 355.394 2.756 20 10 FFCDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC001545684012 1005434967 /nfs/dbraw/zinc/43/49/67/1005434967.db2.gz HRUUGSTYGIIYOE-LLVKDONJSA-N -1 3 356.378 2.722 20 10 FFCDHM CN(C)c1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000130937684 1006634610 /nfs/dbraw/zinc/63/46/10/1006634610.db2.gz PXPUMAWOHTXSBT-UHFFFAOYSA-N -1 3 357.429 2.555 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000857416696 1008141509 /nfs/dbraw/zinc/14/15/09/1008141509.db2.gz VPXUDSSLXPZWPR-HXPMCKFVSA-N -1 3 362.426 2.617 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc(Br)c2nccn2c1 ZINC001178412811 1008984422 /nfs/dbraw/zinc/98/44/22/1008984422.db2.gz GJCLLTCHZDESHL-UHFFFAOYSA-N -1 3 364.174 2.872 20 10 FFCDHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1O ZINC000827941194 1019059119 /nfs/dbraw/zinc/05/91/19/1019059119.db2.gz OYYYQHKFMCRJJC-CZUORRHYSA-N -1 3 354.406 2.580 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCc1c([O-])cccc1F ZINC000928709916 1019083368 /nfs/dbraw/zinc/08/33/68/1019083368.db2.gz NXGMCLQCXJGNMC-GHJWDPDVSA-N -1 3 364.417 2.651 20 10 FFCDHM O=C(CCCNC(=O)OCc1ccccc1)NCc1c([O-])cccc1F ZINC000928710301 1019084648 /nfs/dbraw/zinc/08/46/48/1019084648.db2.gz APDCXHQIJZNESY-UHFFFAOYSA-N -1 3 360.385 2.854 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CC[NH2+]C[C@H]3C)c1C2=O ZINC001218415690 1033147042 /nfs/dbraw/zinc/14/70/42/1033147042.db2.gz PMDQXIMSRIEJEC-BZNIZROVSA-N -1 3 367.401 2.558 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392311 1023704194 /nfs/dbraw/zinc/70/41/94/1023704194.db2.gz NJQZXICEZJTHNK-QWHCGFSZSA-N -1 3 358.442 2.909 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c1 ZINC000756866817 1023760967 /nfs/dbraw/zinc/76/09/67/1023760967.db2.gz DTCRXXFQFKUTAY-GFCCVEGCSA-N -1 3 352.394 2.815 20 10 FFCDHM CC[C@]1(C)CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CCO1 ZINC001121460860 1023791137 /nfs/dbraw/zinc/79/11/37/1023791137.db2.gz PLGZRWORJSSWSU-QGZVFWFLSA-N -1 3 359.455 2.803 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000757619595 1023838560 /nfs/dbraw/zinc/83/85/60/1023838560.db2.gz RBJNPXNJNDXKAU-IUODEOHRSA-N -1 3 354.406 2.955 20 10 FFCDHM COC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1N ZINC001157723695 1029652348 /nfs/dbraw/zinc/65/23/48/1029652348.db2.gz ARDXUXLBMGMOKY-UHFFFAOYSA-N -1 3 358.785 2.970 20 10 FFCDHM O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc([O-])c(O)c1 ZINC000783789879 1030277979 /nfs/dbraw/zinc/27/79/79/1030277979.db2.gz WYLNTSASBIVMSK-UHFFFAOYSA-N -1 3 369.417 2.736 20 10 FFCDHM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4cc(F)c(F)cc4[O-])C[C@H]3O2)n1 ZINC001142512925 1030562935 /nfs/dbraw/zinc/56/29/35/1030562935.db2.gz PXCIIXJCFSCHPZ-CIISACIHSA-N -1 3 351.353 2.714 20 10 FFCDHM COc1cc(C)nc(OC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142530167 1030578556 /nfs/dbraw/zinc/57/85/56/1030578556.db2.gz AAMYLGVAPNRULW-UHFFFAOYSA-N -1 3 365.380 2.821 20 10 FFCDHM O=C(NCc1cn2c(n1)CN(Cc1cc(Cl)ccc1[O-])CC2)C1CCC1 ZINC001203656792 1030808446 /nfs/dbraw/zinc/80/84/46/1030808446.db2.gz XWOKJPUFBCTXGQ-UHFFFAOYSA-N -1 3 374.872 2.674 20 10 FFCDHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001205389077 1031705969 /nfs/dbraw/zinc/70/59/69/1031705969.db2.gz RWQYVYVKBYTQRB-LLVKDONJSA-N -1 3 350.369 2.732 20 10 FFCDHM COC[C@H](C)OC[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386077 1034663089 /nfs/dbraw/zinc/66/30/89/1034663089.db2.gz WVZKBLSLGKXJMX-STQMWFEESA-N -1 3 370.401 2.986 20 10 FFCDHM CCOC(=O)C1(F)CCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139128397 1034958031 /nfs/dbraw/zinc/95/80/31/1034958031.db2.gz SWZQZSQXYMQQCK-UHFFFAOYSA-N -1 3 363.385 2.674 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001139134173 1034964467 /nfs/dbraw/zinc/96/44/67/1034964467.db2.gz YLHHYNXXMBINPV-OAHLLOKOSA-N -1 3 370.449 2.688 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(F)ccc2[O-])Cc2nnn(CC3CC3)c21 ZINC001140063151 1035327896 /nfs/dbraw/zinc/32/78/96/1035327896.db2.gz LRTSBSKNSRUWIT-OAHLLOKOSA-N -1 3 360.433 2.669 20 10 FFCDHM Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140338431 1035443984 /nfs/dbraw/zinc/44/39/84/1035443984.db2.gz JCEWAKNYMZLLNT-UHFFFAOYSA-N -1 3 374.872 2.573 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001140467540 1035486225 /nfs/dbraw/zinc/48/62/25/1035486225.db2.gz SLOQLGNHSBYJTF-UHFFFAOYSA-N -1 3 362.861 2.970 20 10 FFCDHM CC(C)CN1C[C@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277231793 1035671171 /nfs/dbraw/zinc/67/11/71/1035671171.db2.gz GCUVVSDOOBKOSM-LJQANCHMSA-N -1 3 366.889 2.753 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)C[N+](C)(C)C)c1C2=O ZINC001227994588 1035859287 /nfs/dbraw/zinc/85/92/87/1035859287.db2.gz NOMIMJYVUHTVAG-LBPRGKRZSA-O -1 3 370.425 2.655 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001232976139 1036211069 /nfs/dbraw/zinc/21/10/69/1036211069.db2.gz ORQDOPPRKZJIRX-NHYWBVRUSA-N -1 3 373.234 2.998 20 10 FFCDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)N1CCCCC1 ZINC001233080654 1036331434 /nfs/dbraw/zinc/33/14/34/1036331434.db2.gz ZHIRNWCRQYOOPT-UHFFFAOYSA-N -1 3 353.413 2.830 20 10 FFCDHM COc1cc([O-])c(CN2CCO[C@H](C(F)(F)F)C2)cc1Br ZINC001233140864 1036387668 /nfs/dbraw/zinc/38/76/68/1036387668.db2.gz VKTOKXLUADQACK-LBPRGKRZSA-N -1 3 370.165 2.926 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](OC(C)C)C2)c1 ZINC001233308965 1036515412 /nfs/dbraw/zinc/51/54/12/1036515412.db2.gz NIVYXOABAZLERE-CYBMUJFWSA-N -1 3 372.259 2.941 20 10 FFCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)cc1 ZINC001233336514 1036544991 /nfs/dbraw/zinc/54/49/91/1036544991.db2.gz OKMLIPWSKCQINZ-AWEZNQCLSA-N -1 3 362.376 2.813 20 10 FFCDHM COC[C@@H]1Cn2nccc2CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418202 1036610315 /nfs/dbraw/zinc/61/03/15/1036610315.db2.gz XMMHPIDAHWMBLU-LBPRGKRZSA-N -1 3 355.360 2.886 20 10 FFCDHM Cc1cc(O[C@H]2CCOC[C@@H]2F)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543023 1036731346 /nfs/dbraw/zinc/73/13/46/1036731346.db2.gz UDICYFLVIJHDPN-ZFWWWQNUSA-N -1 3 356.349 2.982 20 10 FFCDHM COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300923 1037462160 /nfs/dbraw/zinc/46/21/60/1037462160.db2.gz AVJLJUIWBOUHOI-ONGXEEELSA-N -1 3 360.223 2.925 20 10 FFCDHM O=c1ccc2c([nH]1)CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235306162 1037463104 /nfs/dbraw/zinc/46/31/04/1037463104.db2.gz RDRSLWPTLZNMDM-UHFFFAOYSA-N -1 3 367.218 2.995 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3cc(F)cc(Br)c3[O-])CC[C@H]21 ZINC001235306448 1037463276 /nfs/dbraw/zinc/46/32/76/1037463276.db2.gz FQIPEKKVOABUNY-IINYFYTJSA-N -1 3 371.250 2.737 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447857 1037586640 /nfs/dbraw/zinc/58/66/40/1037586640.db2.gz XDSRLTCPUUISEG-OAHLLOKOSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447857 1037586658 /nfs/dbraw/zinc/58/66/58/1037586658.db2.gz XDSRLTCPUUISEG-OAHLLOKOSA-N -1 3 364.442 2.970 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c([O-])c1 ZINC001231449099 1037588910 /nfs/dbraw/zinc/58/89/10/1037588910.db2.gz DVXQXQCPOWMLEA-QZTJIDSGSA-N -1 3 366.417 2.860 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c([O-])c1 ZINC001231449099 1037588921 /nfs/dbraw/zinc/58/89/21/1037588921.db2.gz DVXQXQCPOWMLEA-QZTJIDSGSA-N -1 3 366.417 2.860 20 10 FFCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452717 1037591028 /nfs/dbraw/zinc/59/10/28/1037591028.db2.gz SNQIDROIONUEFK-CQSZACIVSA-N -1 3 350.415 2.532 20 10 FFCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452717 1037591034 /nfs/dbraw/zinc/59/10/34/1037591034.db2.gz SNQIDROIONUEFK-CQSZACIVSA-N -1 3 350.415 2.532 20 10 FFCDHM COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231453799 1037594056 /nfs/dbraw/zinc/59/40/56/1037594056.db2.gz PRWHDPACEBAFDI-OAHLLOKOSA-N -1 3 358.394 2.537 20 10 FFCDHM COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231453799 1037594066 /nfs/dbraw/zinc/59/40/66/1037594066.db2.gz PRWHDPACEBAFDI-OAHLLOKOSA-N -1 3 358.394 2.537 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)c([O-])c1 ZINC001231452887 1037594843 /nfs/dbraw/zinc/59/48/43/1037594843.db2.gz HJALKHMFVWTRIF-UHFFFAOYSA-N -1 3 366.417 2.711 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455994 1037597677 /nfs/dbraw/zinc/59/76/77/1037597677.db2.gz ZIAQYEDFPQKRKZ-OAHLLOKOSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455994 1037597686 /nfs/dbraw/zinc/59/76/86/1037597686.db2.gz ZIAQYEDFPQKRKZ-OAHLLOKOSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231562571 1037684135 /nfs/dbraw/zinc/68/41/35/1037684135.db2.gz JJNWDNXHMYQHDC-UHFFFAOYSA-N -1 3 350.415 2.533 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@]23CCN(C)C3=O)c1 ZINC001277540379 1037717284 /nfs/dbraw/zinc/71/72/84/1037717284.db2.gz KWTFOXFAYLDVEH-INIZCTEOSA-N -1 3 353.260 2.660 20 10 FFCDHM Cc1cc([O-])c(CN2CC(N3CCN(c4ccccn4)CC3)C2)cc1Cl ZINC001231870402 1037968189 /nfs/dbraw/zinc/96/81/89/1037968189.db2.gz YQBABFAOVPXNQV-UHFFFAOYSA-N -1 3 372.900 2.755 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC3(CC(=O)CO3)CC2)c1 ZINC001236663864 1038178937 /nfs/dbraw/zinc/17/89/37/1038178937.db2.gz QWTVTHUYZMXPTO-UHFFFAOYSA-N -1 3 354.244 2.787 20 10 FFCDHM Cc1noc(C[C@H]2C[C@H]3CN(Cc4c([O-])ccc(F)c4Cl)C[C@H]3O2)n1 ZINC001237124178 1038450388 /nfs/dbraw/zinc/45/03/88/1038450388.db2.gz KIKROEMPYDQXMM-FIXISWKDSA-N -1 3 367.808 2.708 20 10 FFCDHM O=C(NCc1ccc2c(c1)OC(F)(F)O2)NCc1c([O-])cccc1F ZINC001252202472 1039455481 /nfs/dbraw/zinc/45/54/81/1039455481.db2.gz TXBNKJWHJAXIHU-UHFFFAOYSA-N -1 3 354.284 2.852 20 10 FFCDHM CC[C@H](C)S(=O)(=O)[N-]c1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001260741707 1040763774 /nfs/dbraw/zinc/76/37/74/1040763774.db2.gz NVEAOOCWZGRRBS-JTQLQIEISA-N -1 3 359.403 2.708 20 10 FFCDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1ccc(F)cc1C(F)(F)F ZINC001261013267 1040936762 /nfs/dbraw/zinc/93/67/62/1040936762.db2.gz QTKJWHNUNOVDKO-UHFFFAOYSA-N -1 3 365.304 2.734 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001278553802 1041128773 /nfs/dbraw/zinc/12/87/73/1041128773.db2.gz GFBRHBCTNCHIOF-UHFFFAOYSA-N -1 3 359.857 2.651 20 10 FFCDHM [O-]c1cc(Cl)c(F)cc1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001237940058 1043445722 /nfs/dbraw/zinc/44/57/22/1043445722.db2.gz ASOAPDCKCRVPMS-INIZCTEOSA-N -1 3 364.848 2.863 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)N1CCCC1 ZINC001237941141 1043446132 /nfs/dbraw/zinc/44/61/32/1043446132.db2.gz QIPVFUPANNHZGY-CYBMUJFWSA-N -1 3 355.841 2.955 20 10 FFCDHM COc1ccnc(O[C@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237944818 1043449089 /nfs/dbraw/zinc/44/90/89/1043449089.db2.gz WMZFKHRKKKUEIJ-NSHDSACASA-N -1 3 353.781 2.637 20 10 FFCDHM CCN(C(=O)c1cnc2n1CCN(Cc1cc(F)ccc1[O-])C2)C(C)C ZINC001280292495 1044558948 /nfs/dbraw/zinc/55/89/48/1044558948.db2.gz ABMPJNTWXVPURO-UHFFFAOYSA-N -1 3 360.433 2.614 20 10 FFCDHM Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c([O-])c1O ZINC000751533565 1052198732 /nfs/dbraw/zinc/19/87/32/1052198732.db2.gz AKOOJCUEXSTNLF-UHFFFAOYSA-N -1 3 354.322 2.957 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001357518706 1055930658 /nfs/dbraw/zinc/93/06/58/1055930658.db2.gz ZUJPOASIQMPISQ-PHIMTYICSA-N -1 3 359.455 2.894 20 10 FFCDHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1)c1cccc(O)c1[O-] ZINC001454561531 1059564123 /nfs/dbraw/zinc/56/41/23/1059564123.db2.gz DNTLKYXLXCEVPV-NSHDSACASA-N -1 3 350.777 2.899 20 10 FFCDHM Cc1nc(NC(=O)NCc2c([O-])cccc2F)ccc1-c1cnn(C)c1 ZINC001476638651 1061447936 /nfs/dbraw/zinc/44/79/36/1061447936.db2.gz BTJHGIAZPCJTDL-UHFFFAOYSA-N -1 3 355.373 2.957 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCCC3)C2)c1 ZINC001522828186 1062301065 /nfs/dbraw/zinc/30/10/65/1062301065.db2.gz YPXFWTOWPKIHGM-AWEZNQCLSA-N -1 3 366.483 2.806 20 10 FFCDHM CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC001471949416 1064864641 /nfs/dbraw/zinc/86/46/41/1064864641.db2.gz PKQWNPPOPUDLAR-UHFFFAOYSA-N -1 3 352.431 2.815 20 10 FFCDHM COCCc1nnc(-c2cccc(C(=O)NCc3c([O-])cccc3F)c2)o1 ZINC001471975653 1064876286 /nfs/dbraw/zinc/87/62/86/1064876286.db2.gz BOLRKTYHULEEJR-UHFFFAOYSA-N -1 3 371.368 2.700 20 10 FFCDHM COc1cc(NC(=O)N[C@H](C)c2ccccc2O)c(F)cc1-c1nnn[n-]1 ZINC001579933535 1078719490 /nfs/dbraw/zinc/71/94/90/1078719490.db2.gz GPEGCRJARFCXAE-SECBINFHSA-N -1 3 372.360 2.603 20 10 FFCDHM COc1cc(NC(=O)N[C@H](C)c2ccccc2O)c(F)cc1-c1nn[n-]n1 ZINC001579933535 1078719495 /nfs/dbraw/zinc/71/94/95/1078719495.db2.gz GPEGCRJARFCXAE-SECBINFHSA-N -1 3 372.360 2.603 20 10 FFCDHM Cc1ccc(O)c(CNC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001581209581 1078939095 /nfs/dbraw/zinc/93/90/95/1078939095.db2.gz MDLGEYWMSYLQME-UHFFFAOYSA-N -1 3 372.816 2.534 20 10 FFCDHM Cc1ccc(O)c(CNC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001581209581 1078939100 /nfs/dbraw/zinc/93/91/00/1078939100.db2.gz MDLGEYWMSYLQME-UHFFFAOYSA-N -1 3 372.816 2.534 20 10 FFCDHM O=C(NCc1cc(Cl)ccc1O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1 ZINC001582544725 1079060997 /nfs/dbraw/zinc/06/09/97/1079060997.db2.gz HRDZQZDUKLJIEW-UHFFFAOYSA-N -1 3 368.784 2.637 20 10 FFCDHM O=C(NCc1cc(Cl)ccc1O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1 ZINC001582544725 1079061001 /nfs/dbraw/zinc/06/10/01/1079061001.db2.gz HRDZQZDUKLJIEW-UHFFFAOYSA-N -1 3 368.784 2.637 20 10 FFCDHM COC(=O)[C@]1(NC(=O)c2cccc(O)c2[O-])CC[C@@H](C)c2ccccc21 ZINC001558815339 1076081591 /nfs/dbraw/zinc/08/15/91/1076081591.db2.gz JMAFPOPVABSYBU-ODXCJYRJSA-N -1 3 355.390 2.793 20 10 FFCDHM C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589969255 1080910943 /nfs/dbraw/zinc/91/09/43/1080910943.db2.gz BUSJWJSBZDZWDB-GFCCVEGCSA-N -1 3 353.426 2.651 20 10 FFCDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042329 1080966751 /nfs/dbraw/zinc/96/67/51/1080966751.db2.gz GKAIQATUFYYYBJ-YPUOHESYSA-N -1 3 365.393 2.511 20 10 FFCDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042329 1080966756 /nfs/dbraw/zinc/96/67/56/1080966756.db2.gz GKAIQATUFYYYBJ-YPUOHESYSA-N -1 3 365.393 2.511 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CCOC1 ZINC000266789227 509194405 /nfs/dbraw/zinc/19/44/05/509194405.db2.gz STOSFZYRAGKOJW-LLVKDONJSA-N -1 3 357.248 2.723 20 10 FFCDHM O=C(CN1CCN(Cc2ccccc2[O-])CC1)Nc1ccccc1Cl ZINC000179553752 509509200 /nfs/dbraw/zinc/50/92/00/509509200.db2.gz GZEMVALGDQNALB-UHFFFAOYSA-N -1 3 359.857 2.802 20 10 FFCDHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(O)c1[O-] ZINC000187153340 510091263 /nfs/dbraw/zinc/09/12/63/510091263.db2.gz DSGOZTFSJARFBX-UHFFFAOYSA-N -1 3 355.438 2.872 20 10 FFCDHM Cc1cc(N2CCC[C@H](N[C@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187863636 510476029 /nfs/dbraw/zinc/47/60/29/510476029.db2.gz SESRUTHAUXTJHL-RISCZKNCSA-N -1 3 364.396 2.559 20 10 FFCDHM COc1c([O-])c(CNc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000278312327 510988033 /nfs/dbraw/zinc/98/80/33/510988033.db2.gz XBHZBZATNZQCKK-UHFFFAOYSA-N -1 3 357.366 2.813 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(N3CCCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278891887 511013390 /nfs/dbraw/zinc/01/33/90/511013390.db2.gz PREIXUBTRWVZEW-UHFFFAOYSA-N -1 3 372.425 2.984 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1cncnc1 ZINC000279428176 511079700 /nfs/dbraw/zinc/07/97/00/511079700.db2.gz MBKNEUZHGDCXLJ-UHFFFAOYSA-N -1 3 350.216 2.536 20 10 FFCDHM COc1ccc(CNCc2cc(Br)ccc2[O-])c(OC)n1 ZINC000289507246 511103151 /nfs/dbraw/zinc/10/31/51/511103151.db2.gz HTFNPHNLYMNTBD-UHFFFAOYSA-N -1 3 353.216 2.857 20 10 FFCDHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271204551 511120453 /nfs/dbraw/zinc/12/04/53/511120453.db2.gz JSRDOPLDMFYFIW-CYBMUJFWSA-N -1 3 362.451 2.905 20 10 FFCDHM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000271264738 511142032 /nfs/dbraw/zinc/14/20/32/511142032.db2.gz KEVWVWJWPWZEGA-VWLOTQADSA-N -1 3 363.435 2.554 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCc1nccs1 ZINC000291196349 511161809 /nfs/dbraw/zinc/16/18/09/511161809.db2.gz TZQLMHQTIOVHEB-UHFFFAOYSA-N -1 3 365.842 2.899 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC(F)(F)[C@H](CO)C2)c1[O-] ZINC000291356004 511165096 /nfs/dbraw/zinc/16/50/96/511165096.db2.gz XTRIWJNNLUUZJH-NSHDSACASA-N -1 3 350.203 2.913 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000295590949 511454615 /nfs/dbraw/zinc/45/46/15/511454615.db2.gz MNRQVZXJNQIFEY-ZDUSSCGKSA-N -1 3 350.434 2.848 20 10 FFCDHM Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)c([O-])c1O ZINC000292091605 511462194 /nfs/dbraw/zinc/46/21/94/511462194.db2.gz LDPYDXSVUCBCCD-CYBMUJFWSA-N -1 3 369.421 2.817 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000283730666 511479311 /nfs/dbraw/zinc/47/93/11/511479311.db2.gz NZZPJYPYYMFJIC-MRXNPFEDSA-N -1 3 365.437 2.525 20 10 FFCDHM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c([O-])c1O ZINC000272667510 511503649 /nfs/dbraw/zinc/50/36/49/511503649.db2.gz OKDNZAQKVZKOOB-UHFFFAOYSA-N -1 3 369.421 2.748 20 10 FFCDHM Cc1ccc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)c([O-])c1O ZINC000272726653 511505517 /nfs/dbraw/zinc/50/55/17/511505517.db2.gz IVPOZCZTGNEXFD-LBPRGKRZSA-N -1 3 363.414 2.795 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CCO)c2ccc(OC)cc2)c1 ZINC000273353011 511522898 /nfs/dbraw/zinc/52/28/98/511522898.db2.gz CCNWSWFOKDTEON-SCLBCKFNSA-N -1 3 359.422 2.962 20 10 FFCDHM C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446045 511526624 /nfs/dbraw/zinc/52/66/24/511526624.db2.gz ZWRCQMPTYHQPRA-KBPBESRZSA-N -1 3 372.425 2.771 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000273483204 511529536 /nfs/dbraw/zinc/52/95/36/511529536.db2.gz MMFZADTZXUQYGW-NSHDSACASA-N -1 3 355.394 2.542 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000365759720 511640540 /nfs/dbraw/zinc/64/05/40/511640540.db2.gz VPXJRIZHNDYBBB-NSHDSACASA-N -1 3 368.311 2.805 20 10 FFCDHM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000274877444 511973939 /nfs/dbraw/zinc/97/39/39/511973939.db2.gz HGBYUEOHXPSWMY-CQSZACIVSA-N -1 3 371.393 2.651 20 10 FFCDHM COc1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000274901124 511982143 /nfs/dbraw/zinc/98/21/43/511982143.db2.gz POYNZLVWRYUPGD-UHFFFAOYSA-N -1 3 355.390 2.842 20 10 FFCDHM O=C1[C@@H](NCc2cc(Cl)c(F)cc2[O-])CCCN1Cc1ccccn1 ZINC000293609106 512025599 /nfs/dbraw/zinc/02/55/99/512025599.db2.gz LRRIFDLLNGIBKC-INIZCTEOSA-N -1 3 363.820 2.861 20 10 FFCDHM COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1nccn1C ZINC000376843314 513012901 /nfs/dbraw/zinc/01/29/01/513012901.db2.gz FQMZAOBETBJOAY-MRXNPFEDSA-N -1 3 367.405 2.668 20 10 FFCDHM C[C@]1(Br)C[C@@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529391066 517119861 /nfs/dbraw/zinc/11/98/61/517119861.db2.gz XHAKZGPOPSWKTM-SKDRFNHKSA-N -1 3 363.049 2.944 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[O-] ZINC000529679828 517280746 /nfs/dbraw/zinc/28/07/46/517280746.db2.gz QAZQVVDJNDEVEW-LAPQFRIASA-N -1 3 358.301 2.949 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000737271921 599146128 /nfs/dbraw/zinc/14/61/28/599146128.db2.gz ZAFZPOBLAOYXJO-UHFFFAOYSA-N -1 3 365.441 2.871 20 10 FFCDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000737271921 599146131 /nfs/dbraw/zinc/14/61/31/599146131.db2.gz ZAFZPOBLAOYXJO-UHFFFAOYSA-N -1 3 365.441 2.871 20 10 FFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000826249183 607711255 /nfs/dbraw/zinc/71/12/55/607711255.db2.gz PKBJDODMKCGOCS-UHFFFAOYSA-N -1 3 363.421 2.690 20 10 FFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000826249183 607711257 /nfs/dbraw/zinc/71/12/57/607711257.db2.gz PKBJDODMKCGOCS-UHFFFAOYSA-N -1 3 363.421 2.690 20 10 FFCDHM COc1ccc(N2CCC(Nc3nc(C)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000821832098 607227746 /nfs/dbraw/zinc/22/77/46/607227746.db2.gz ZOKNLGRXMRLCCP-UHFFFAOYSA-N -1 3 365.441 2.660 20 10 FFCDHM COc1ccc(N2CCC(Nc3nc(C)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000821832098 607227747 /nfs/dbraw/zinc/22/77/47/607227747.db2.gz ZOKNLGRXMRLCCP-UHFFFAOYSA-N -1 3 365.441 2.660 20 10 FFCDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826278905 609482416 /nfs/dbraw/zinc/48/24/16/609482416.db2.gz XXVXNSHNPIFRBS-UHFFFAOYSA-N -1 3 368.416 2.763 20 10 FFCDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826278905 609482418 /nfs/dbraw/zinc/48/24/18/609482418.db2.gz XXVXNSHNPIFRBS-UHFFFAOYSA-N -1 3 368.416 2.763 20 10 FFCDHM CCS(=O)(=O)CCN(C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000152455708 728758747 /nfs/dbraw/zinc/75/87/47/728758747.db2.gz NULZVNHQNYNISD-UHFFFAOYSA-N -1 3 351.468 2.884 20 10 FFCDHM O=C1NCCCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093669254 728477448 /nfs/dbraw/zinc/47/74/48/728477448.db2.gz LQCNULFASTXFRP-UHFFFAOYSA-N -1 3 368.275 2.534 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncc1F ZINC000134265545 728729276 /nfs/dbraw/zinc/72/92/76/728729276.db2.gz HDPCLCBBEWZFJN-CQSZACIVSA-N -1 3 363.820 2.974 20 10 FFCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)CC1 ZINC000185157003 729343115 /nfs/dbraw/zinc/34/31/15/729343115.db2.gz ZEKKUHLVEPNLOX-UHFFFAOYSA-N -1 3 363.458 2.768 20 10 FFCDHM O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192975412 729464798 /nfs/dbraw/zinc/46/47/98/729464798.db2.gz OGMLLSNRJGWFJJ-UHFFFAOYSA-N -1 3 354.284 2.642 20 10 FFCDHM CS(=O)(=O)c1ccc([C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)cc1 ZINC000862437979 730702574 /nfs/dbraw/zinc/70/25/74/730702574.db2.gz KBKMMNFZLUNKQX-GOSISDBHSA-N -1 3 365.426 2.508 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC000781303563 738616180 /nfs/dbraw/zinc/61/61/80/738616180.db2.gz OBQBPVVNBOJXCK-GFCCVEGCSA-N -1 3 350.415 2.617 20 10 FFCDHM C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Br)cc(F)c1[O-] ZINC000894747202 734909319 /nfs/dbraw/zinc/90/93/19/734909319.db2.gz IRWFWFNGGILBRF-BXUZGUMPSA-N -1 3 373.266 2.589 20 10 FFCDHM CN(C)C(=O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894991778 734949376 /nfs/dbraw/zinc/94/93/76/734949376.db2.gz GBEYDWFNXJIHPX-VIFPVBQESA-N -1 3 361.667 2.718 20 10 FFCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756776834 736360701 /nfs/dbraw/zinc/36/07/01/736360701.db2.gz SCLXGMRVZJAVSZ-AMIZOPFISA-N -1 3 374.666 2.926 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CCOC2(CCOCC2)CC1 ZINC000769556695 737541948 /nfs/dbraw/zinc/54/19/48/737541948.db2.gz QUIRQGWBDVLLAK-UHFFFAOYSA-N -1 3 356.260 2.926 20 10 FFCDHM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Br)ccc1[O-] ZINC000770356102 737618738 /nfs/dbraw/zinc/61/87/38/737618738.db2.gz SHUSHPRIIUQTIG-ZDUSSCGKSA-N -1 3 360.248 2.553 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nccs1 ZINC000770628964 737647141 /nfs/dbraw/zinc/64/71/41/737647141.db2.gz IAGRZOWYRXYIQA-ZDUSSCGKSA-N -1 3 351.859 2.897 20 10 FFCDHM Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000919812184 737878396 /nfs/dbraw/zinc/87/83/96/737878396.db2.gz NSTPDFDDRQKVKK-ZDUSSCGKSA-N -1 3 362.451 2.872 20 10 FFCDHM CC[C@H](NCc1nnnn1CC1CC1)c1cc(Br)ccc1[O-] ZINC000775555080 738101086 /nfs/dbraw/zinc/10/10/86/738101086.db2.gz RGTUZLXGJJNXKL-ZDUSSCGKSA-N -1 3 366.263 2.792 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000922677559 738183218 /nfs/dbraw/zinc/18/32/18/738183218.db2.gz ADOFOWCGUDOPHR-MNOVXSKESA-N -1 3 355.410 2.632 20 10 FFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1ccc(Br)cc1[O-] ZINC000824549202 743102693 /nfs/dbraw/zinc/10/26/93/743102693.db2.gz YYJDKCRGCDHBAL-LBPRGKRZSA-N -1 3 360.273 2.635 20 10 FFCDHM C[C@@H](CS(C)(=O)=O)N(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824809438 743153181 /nfs/dbraw/zinc/15/31/81/743153181.db2.gz VBPCBAOZUIXZPE-JTQLQIEISA-N -1 3 362.289 2.552 20 10 FFCDHM CO[C@@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824913353 743177323 /nfs/dbraw/zinc/17/73/23/743177323.db2.gz PQUOGXUGQAUORQ-VIFPVBQESA-N -1 3 356.220 2.877 20 10 FFCDHM CC1(C)CN(C(=O)C2CC2)CCN1Cc1ccc(Br)cc1[O-] ZINC000825514092 743285711 /nfs/dbraw/zinc/28/57/11/743285711.db2.gz LQVIXJBBXULFHJ-UHFFFAOYSA-N -1 3 367.287 2.988 20 10 FFCDHM CCOc1cccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1O ZINC000827851235 744990642 /nfs/dbraw/zinc/99/06/42/744990642.db2.gz ROJJIAXUZSETEL-YPMHNXCESA-N -1 3 360.376 2.680 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncccc1F ZINC000830543705 745378214 /nfs/dbraw/zinc/37/82/14/745378214.db2.gz BXRZYSLABQSEBT-CQSZACIVSA-N -1 3 363.820 2.974 20 10 FFCDHM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cccc1Cl ZINC001275837806 1013060418 /nfs/dbraw/zinc/06/04/18/1013060418.db2.gz NNAXVYQYEURYFD-DJJJIMSYSA-N -1 3 364.873 2.980 20 10 FFCDHM COC(=O)c1c(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c2cc(F)ccc2n1C ZINC001593866831 955585143 /nfs/dbraw/zinc/58/51/43/955585143.db2.gz QOMWFYJYHRMSNS-YPMHNXCESA-N -1 3 362.401 2.647 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@H]2c2ccccc2C)c1[O-] ZINC000759920053 972209173 /nfs/dbraw/zinc/20/91/73/972209173.db2.gz BNFWSAMZORWXHL-GOSISDBHSA-N -1 3 356.397 2.715 20 10 FFCDHM O=C1N(Cc2ccncc2)CC[C@]12CCCN2Cc1c([O-])cccc1F ZINC001276036912 1013300203 /nfs/dbraw/zinc/30/02/03/1013300203.db2.gz CCHFTMKUTFYLNB-HXUWFJFHSA-N -1 3 355.413 2.693 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000896980108 973114505 /nfs/dbraw/zinc/11/45/05/973114505.db2.gz NRCKHLFOIORMBS-SFHVURJKSA-N -1 3 372.412 2.522 20 10 FFCDHM CCON(CC)C(=O)CNCc1cc(Cl)cc(Br)c1[O-] ZINC001203144365 977504835 /nfs/dbraw/zinc/50/48/35/977504835.db2.gz LVNNWCCTLCIFCQ-UHFFFAOYSA-N -1 3 365.655 2.698 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001142512682 982474235 /nfs/dbraw/zinc/47/42/35/982474235.db2.gz IDNRCPBHLGQKSN-CQSZACIVSA-N -1 3 363.408 2.926 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001142520259 982526145 /nfs/dbraw/zinc/52/61/45/982526145.db2.gz DSAKIUDZXBMXKF-KUHUBIRLSA-N -1 3 362.376 2.593 20 10 FFCDHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(C)n1-c1ccccn1 ZINC000898210464 982638528 /nfs/dbraw/zinc/63/85/28/982638528.db2.gz HBNOJOHHVLZOSX-AWEZNQCLSA-N -1 3 351.410 2.548 20 10 FFCDHM COCCOCc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000922550427 988685453 /nfs/dbraw/zinc/68/54/53/988685453.db2.gz FQJKDQWEVXHQMF-UHFFFAOYSA-N -1 3 362.401 2.694 20 10 FFCDHM COc1ccccc1N1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000915788807 988914049 /nfs/dbraw/zinc/91/40/49/988914049.db2.gz JKWKIDUHCYLAQX-CQSZACIVSA-N -1 3 373.428 2.866 20 10 FFCDHM O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cccc(O)c1[O-] ZINC000187101742 990901672 /nfs/dbraw/zinc/90/16/72/990901672.db2.gz NIRXUHDNLRVHFU-LLVKDONJSA-N -1 3 364.348 2.708 20 10 FFCDHM C[C@H](NCc1cc(OCC(F)F)ccn1)c1cc(C(=O)[O-])ccc1O ZINC001593291701 994670909 /nfs/dbraw/zinc/67/09/09/994670909.db2.gz BEULVGMTAKALQN-JTQLQIEISA-N -1 3 352.337 2.980 20 10 FFCDHM COc1cc(Br)cc(C[NH2+][C@@H](CC(F)(F)F)C(=O)[O-])c1[O-] ZINC001599346288 998011539 /nfs/dbraw/zinc/01/15/39/998011539.db2.gz CTAOVWBWWCYRGD-QMMMGPOBSA-N -1 3 372.137 2.659 20 10 FFCDHM COc1cc(OC)cc(OCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599453141 998141633 /nfs/dbraw/zinc/14/16/33/998141633.db2.gz CCFDEDFPTYHTEU-GFCCVEGCSA-N -1 3 361.394 2.837 20 10 FFCDHM COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306887 998301503 /nfs/dbraw/zinc/30/15/03/998301503.db2.gz VRUQIGCREFWQRP-GXSJLCMTSA-N -1 3 360.223 2.925 20 10 FFCDHM CC(=O)NC[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000735485310 999430252 /nfs/dbraw/zinc/43/02/52/999430252.db2.gz FZTWODRKDSREAG-OAHLLOKOSA-N -1 3 354.406 2.629 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c([O-])c1 ZINC000740128636 999663010 /nfs/dbraw/zinc/66/30/10/999663010.db2.gz ROCFVASKFRCHHF-UHFFFAOYSA-N -1 3 353.422 2.655 20 10 FFCDHM Cc1ccccc1[C@H]1CCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237944 1000240839 /nfs/dbraw/zinc/24/08/39/1000240839.db2.gz ILQZUBDHWAIQME-MRXNPFEDSA-N -1 3 352.394 2.779 20 10 FFCDHM COc1ccc([C@H](O)C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001144780417 1000274465 /nfs/dbraw/zinc/27/44/65/1000274465.db2.gz JMKSCUJKYKQUJQ-SFHVURJKSA-N -1 3 372.808 2.952 20 10 FFCDHM CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000846590976 1000379742 /nfs/dbraw/zinc/37/97/42/1000379742.db2.gz QDHSKZKJCVSHJN-UHFFFAOYSA-N -1 3 364.442 2.865 20 10 FFCDHM CCOc1cc(NC(=O)c2cccc(O)c2[O-])cnc1Br ZINC001148212973 1001068041 /nfs/dbraw/zinc/06/80/41/1001068041.db2.gz SSDYYIKHRDEGCU-UHFFFAOYSA-N -1 3 353.172 2.906 20 10 FFCDHM COC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])c(OC)cc1Cl ZINC001148219060 1001071490 /nfs/dbraw/zinc/07/14/90/1001071490.db2.gz QMLMRRORDGDYNN-UHFFFAOYSA-N -1 3 351.742 2.799 20 10 FFCDHM O=C(Nc1cncc(Br)c1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148582183 1001174430 /nfs/dbraw/zinc/17/44/30/1001174430.db2.gz ZMPKDJBTIOHAOK-UHFFFAOYSA-N -1 3 359.563 2.867 20 10 FFCDHM O=C(NCCCc1cncc(C(F)(F)F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148581173 1001174517 /nfs/dbraw/zinc/17/45/17/1001174517.db2.gz NTFYWKBKLBEQAN-UHFFFAOYSA-N -1 3 356.300 2.580 20 10 FFCDHM NC(=O)c1cc(F)ccc1N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001183053096 1002146641 /nfs/dbraw/zinc/14/66/41/1002146641.db2.gz HIHXTDVYKIGRKU-UHFFFAOYSA-N -1 3 363.820 2.606 20 10 FFCDHM O=C(NCc1cccc(NC(=O)c2ccccn2)c1)c1cccc(O)c1[O-] ZINC000790557417 1002412507 /nfs/dbraw/zinc/41/25/07/1002412507.db2.gz BHDQOEXLINTPOX-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM COc1c([O-])c(CNc2ccc(Cn3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000774933198 1003075059 /nfs/dbraw/zinc/07/50/59/1003075059.db2.gz ADBWVZLTWVFRQP-UHFFFAOYSA-N -1 3 355.354 2.561 20 10 FFCDHM C[C@@H]1CC[C@H](CO)CN1Cc1cccc(I)c1[O-] ZINC001237778531 1043352119 /nfs/dbraw/zinc/35/21/19/1043352119.db2.gz XNJXIZFGBQCACG-MNOVXSKESA-N -1 3 361.223 2.590 20 10 FFCDHM O=C(NCCc1cc(O)c(O)cc1O)c1ccc([O-])cc1C(F)(F)F ZINC001193758466 1004577359 /nfs/dbraw/zinc/57/73/59/1004577359.db2.gz SGNKKXSTBYWWFV-UHFFFAOYSA-N -1 3 357.284 2.500 20 10 FFCDHM COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccc([O-])c(F)c3)C2)cc1 ZINC000819587756 1008185646 /nfs/dbraw/zinc/18/56/46/1008185646.db2.gz PLHUFESHJCPMAF-HNNXBMFYSA-N -1 3 358.413 2.725 20 10 FFCDHM CCN1CCN(c2ccc(CNC(=O)c3c(C)cccc3[O-])cc2F)CC1 ZINC001136687106 1008968426 /nfs/dbraw/zinc/96/84/26/1008968426.db2.gz ATIPALLFGMFBNA-UHFFFAOYSA-N -1 3 371.456 2.912 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000928705345 1019080266 /nfs/dbraw/zinc/08/02/66/1019080266.db2.gz HHHJUVGRPNGOBF-INIZCTEOSA-N -1 3 357.385 2.844 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC000928706853 1019084040 /nfs/dbraw/zinc/08/40/40/1019084040.db2.gz XDFSSYCFEPPELL-UHFFFAOYSA-N -1 3 366.339 2.576 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000930177222 1019907554 /nfs/dbraw/zinc/90/75/54/1019907554.db2.gz JLBZIVHUAFBBLM-UHFFFAOYSA-N -1 3 363.364 2.829 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CNCC(F)(F)C3)cccc21 ZINC001218274609 1033080156 /nfs/dbraw/zinc/08/01/56/1033080156.db2.gz XQBJJJFACUFKDQ-JTQLQIEISA-N -1 3 359.328 2.544 20 10 FFCDHM COc1cc(OC[C@H]2C[C@@H](O)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001218431942 1033152978 /nfs/dbraw/zinc/15/29/78/1033152978.db2.gz ADHUNJWVOGQLEF-TXEJJXNPSA-N -1 3 368.385 2.634 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2noc(C(C)C)n2)c1[O-] ZINC000779630549 1024305065 /nfs/dbraw/zinc/30/50/65/1024305065.db2.gz BVXNMMTZZLIURR-HNNXBMFYSA-N -1 3 363.389 2.814 20 10 FFCDHM O=C(NC1CC1)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157727619 1029652179 /nfs/dbraw/zinc/65/21/79/1029652179.db2.gz MJIJEUOYRKXYHN-UHFFFAOYSA-N -1 3 369.812 2.888 20 10 FFCDHM COCCNC(=O)c1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000797037552 1030984876 /nfs/dbraw/zinc/98/48/76/1030984876.db2.gz UTHWTBBPQHRARR-CYBMUJFWSA-N -1 3 372.421 2.728 20 10 FFCDHM Cc1ccccc1N=Nc1ccc(NC(=O)[C@@H](N)Cc2nnn[n-]2)c(C)c1 ZINC001219203539 1033554177 /nfs/dbraw/zinc/55/41/77/1033554177.db2.gz IXEFOKRWIXUBQC-OXBTWTFQSA-N -1 3 364.413 2.740 20 10 FFCDHM Cc1ccccc1N=Nc1ccc(NC(=O)[C@@H](N)Cc2nn[n-]n2)c(C)c1 ZINC001219203539 1033554188 /nfs/dbraw/zinc/55/41/88/1033554188.db2.gz IXEFOKRWIXUBQC-OXBTWTFQSA-N -1 3 364.413 2.740 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1[O-] ZINC000830535538 1033660081 /nfs/dbraw/zinc/66/00/81/1033660081.db2.gz SYJPAAQCPQLZJH-UHFFFAOYSA-N -1 3 356.397 2.997 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001139133537 1034963202 /nfs/dbraw/zinc/96/32/02/1034963202.db2.gz HSMCODRCCRXQPT-CQSZACIVSA-N -1 3 358.438 2.544 20 10 FFCDHM Cn1ncc2c1CN(Cc1cc(F)ccc1[O-])C[C@@H]2COc1cccnc1 ZINC001140063690 1035327456 /nfs/dbraw/zinc/32/74/56/1035327456.db2.gz WBGYOMXJGRDBOZ-OAHLLOKOSA-N -1 3 368.412 2.838 20 10 FFCDHM O=C(Cc1ccsc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140342454 1035445678 /nfs/dbraw/zinc/44/56/78/1035445678.db2.gz JSIDHHJSJCWHLJ-UHFFFAOYSA-N -1 3 350.871 2.994 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461394 1035484225 /nfs/dbraw/zinc/48/42/25/1035484225.db2.gz KTSDNMNKSTYIGF-UONOGXRCSA-N -1 3 356.850 2.506 20 10 FFCDHM COc1cc(O[C@@H](C)C(C)=O)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393736 1035531141 /nfs/dbraw/zinc/53/11/41/1035531141.db2.gz WMTKKBSVEXPRCQ-NSHDSACASA-N -1 3 354.358 2.841 20 10 FFCDHM CC[C@H](C)N1CC2(CN(Cc3cc(Cl)c(C)cc3[O-])C2)OCC1=O ZINC001277214309 1035582106 /nfs/dbraw/zinc/58/21/06/1035582106.db2.gz RMLACZYKZLAQJA-ZDUSSCGKSA-N -1 3 352.862 2.566 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(Cl)c(C)cc2[O-])C1=O ZINC001277215468 1035589181 /nfs/dbraw/zinc/58/91/81/1035589181.db2.gz WOCJBUDZQSDIPT-YJYMSZOUSA-N -1 3 364.873 2.898 20 10 FFCDHM COc1cc(O[C@@H](C)CN(C)C)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227656943 1035659750 /nfs/dbraw/zinc/65/97/50/1035659750.db2.gz GENDKUMDNDDGQP-JTQLQIEISA-N -1 3 359.378 2.695 20 10 FFCDHM O=C1CO[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)CN1C1CCCC1 ZINC001277231902 1035673461 /nfs/dbraw/zinc/67/34/61/1035673461.db2.gz HNOPEWZXKCGMRC-LJQANCHMSA-N -1 3 364.873 2.792 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCC[C@]12CCOC2 ZINC001232980953 1036215742 /nfs/dbraw/zinc/21/57/42/1036215742.db2.gz ZHQFROPORPFMET-CQSZACIVSA-N -1 3 359.207 2.752 20 10 FFCDHM COC(=O)C1CCN(Cc2cc(Br)c(OC)cc2[O-])CC1 ZINC001233138146 1036389669 /nfs/dbraw/zinc/38/96/69/1036389669.db2.gz WFIWDPHVCYEGCU-UHFFFAOYSA-N -1 3 358.232 2.548 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](CO)CC2)c1 ZINC001233306089 1036511735 /nfs/dbraw/zinc/51/17/35/1036511735.db2.gz FATYNTRARYAQAN-NSHDSACASA-N -1 3 372.259 2.536 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](C)[C@@H]2CO)c1 ZINC001233306573 1036512429 /nfs/dbraw/zinc/51/24/29/1036512429.db2.gz VIKSNZMIXUOTIQ-YGRLFVJLSA-N -1 3 372.259 2.534 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(F)c2F)N1Cc1cccnc1 ZINC001233333774 1036542224 /nfs/dbraw/zinc/54/22/24/1036542224.db2.gz HJHDQAOEWPSEBY-IAGOWNOFSA-N -1 3 373.403 2.831 20 10 FFCDHM Cc1cc(O[C@@H]2CN3CCC2CC3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543151 1036731508 /nfs/dbraw/zinc/73/15/08/1036731508.db2.gz WDEMHGWJWFZILT-GOSISDBHSA-N -1 3 363.413 2.949 20 10 FFCDHM C=CC(=O)OC[C@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234746732 1037164127 /nfs/dbraw/zinc/16/41/27/1037164127.db2.gz DIAKZHHCAPAAGB-VIFPVBQESA-N -1 3 372.329 2.560 20 10 FFCDHM CCOC(=O)[C@@H](CC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234754204 1037170206 /nfs/dbraw/zinc/17/02/06/1037170206.db2.gz VRCVXKPFAJGEDH-CYBMUJFWSA-N -1 3 374.345 2.784 20 10 FFCDHM CN(C)C(=O)[C@@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235302364 1037462085 /nfs/dbraw/zinc/46/20/85/1037462085.db2.gz PKNACSFTLDCIFU-SNVBAGLBSA-N -1 3 359.239 2.594 20 10 FFCDHM O=C1CCC2(CCN(Cc3cc(F)cc(Br)c3[O-])CC2)N1 ZINC001235309896 1037466077 /nfs/dbraw/zinc/46/60/77/1037466077.db2.gz YNEWARPAXNCMCS-UHFFFAOYSA-N -1 3 357.223 2.538 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])[C@@H]2C1 ZINC001231449911 1037587908 /nfs/dbraw/zinc/58/79/08/1037587908.db2.gz NLDJRLVKCBXAAL-DZGCQCFKSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])[C@@H]2C1 ZINC001231449911 1037587915 /nfs/dbraw/zinc/58/79/15/1037587915.db2.gz NLDJRLVKCBXAAL-DZGCQCFKSA-N -1 3 362.426 2.532 20 10 FFCDHM CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231455515 1037596837 /nfs/dbraw/zinc/59/68/37/1037596837.db2.gz QOWMUKVOMNZGEP-HNNXBMFYSA-N -1 3 364.442 2.922 20 10 FFCDHM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231455515 1037596845 /nfs/dbraw/zinc/59/68/45/1037596845.db2.gz QOWMUKVOMNZGEP-HNNXBMFYSA-N -1 3 364.442 2.922 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c1 ZINC001231561782 1037685027 /nfs/dbraw/zinc/68/50/27/1037685027.db2.gz ZLYUXXQTBQEAQQ-UHFFFAOYSA-N -1 3 352.390 2.576 20 10 FFCDHM CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566523 1037692471 /nfs/dbraw/zinc/69/24/71/1037692471.db2.gz NRTMGEYDXJIXRS-MRXNPFEDSA-N -1 3 367.442 2.661 20 10 FFCDHM CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566523 1037692481 /nfs/dbraw/zinc/69/24/81/1037692481.db2.gz NRTMGEYDXJIXRS-MRXNPFEDSA-N -1 3 367.442 2.661 20 10 FFCDHM CCOC(=O)CCN(CC(=O)OCC)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870843 1037967168 /nfs/dbraw/zinc/96/71/68/1037967168.db2.gz VFSODBJQTMCGDG-UHFFFAOYSA-N -1 3 357.834 2.672 20 10 FFCDHM CCn1nnc2c1[C@@H](COC)CN(Cc1ccc3ccccc3c1[O-])C2 ZINC001231878955 1037974540 /nfs/dbraw/zinc/97/45/40/1037974540.db2.gz SBMBEQYUUYDDJP-MRXNPFEDSA-N -1 3 352.438 2.903 20 10 FFCDHM CCOC[C@@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236795404 1038274470 /nfs/dbraw/zinc/27/44/70/1038274470.db2.gz KNFPJRGABWZXCF-ZDUSSCGKSA-N -1 3 365.861 2.924 20 10 FFCDHM COc1cc([O-])c(CN2CCN(CCc3ccncc3)CC2)c(Cl)c1 ZINC001236799323 1038277233 /nfs/dbraw/zinc/27/72/33/1038277233.db2.gz MPZQQXYRZDENPV-UHFFFAOYSA-N -1 3 361.873 2.810 20 10 FFCDHM COc1cc([O-])c(CN2CCCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC001236803569 1038279335 /nfs/dbraw/zinc/27/93/35/1038279335.db2.gz OZDPQWLNIYJCMM-UHFFFAOYSA-N -1 3 364.829 2.995 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605681 1038620953 /nfs/dbraw/zinc/62/09/53/1038620953.db2.gz NKVYAYVNEGSLAE-VLIAUNLRSA-N -1 3 360.454 2.846 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605681 1038620954 /nfs/dbraw/zinc/62/09/54/1038620954.db2.gz NKVYAYVNEGSLAE-VLIAUNLRSA-N -1 3 360.454 2.846 20 10 FFCDHM O=C(NCCc1ccc2c(c1)OC(F)(F)O2)NCc1c([O-])cccc1F ZINC001252514516 1039571702 /nfs/dbraw/zinc/57/17/02/1039571702.db2.gz GKRPKDDBQFYPBP-UHFFFAOYSA-N -1 3 368.311 2.895 20 10 FFCDHM COc1cc([O-])c(CN2CC(C)(F)C2)cc1I ZINC001248461701 1040286269 /nfs/dbraw/zinc/28/62/69/1040286269.db2.gz BSLFSXPBPOEPAU-UHFFFAOYSA-N -1 3 351.159 2.549 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)c1cccc(Br)c1 ZINC001213797474 1040921909 /nfs/dbraw/zinc/92/19/09/1040921909.db2.gz DBQNVQPDZKFODV-UHFFFAOYSA-N -1 3 360.204 2.772 20 10 FFCDHM COc1nc(-c2noc(-c3cccc(O)c3[O-])n2)ccc1-n1cnc(C)c1 ZINC001215145676 1041678762 /nfs/dbraw/zinc/67/87/62/1041678762.db2.gz BMJNQWIIHBFBNF-UHFFFAOYSA-N -1 3 365.349 2.713 20 10 FFCDHM CCOC(=O)[C@H]1CSCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237686096 1043312508 /nfs/dbraw/zinc/31/25/08/1043312508.db2.gz TVEIALCUCQVFHC-CYBMUJFWSA-N -1 3 374.300 2.944 20 10 FFCDHM CC(C)O[C@@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237781037 1043354198 /nfs/dbraw/zinc/35/41/98/1043354198.db2.gz ASTMYWRKYXJGFD-GFCCVEGCSA-N -1 3 361.223 2.996 20 10 FFCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1cccnc1 ZINC001237941282 1043445753 /nfs/dbraw/zinc/44/57/53/1043445753.db2.gz UYGLQTANHHEFFD-UHFFFAOYSA-N -1 3 363.820 2.974 20 10 FFCDHM Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)no1 ZINC001324553537 1046098322 /nfs/dbraw/zinc/09/83/22/1046098322.db2.gz RCXUPWWWMYDZAR-UHFFFAOYSA-N -1 3 367.808 2.876 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cccc(OCC(F)(F)F)n2)c1 ZINC001324796015 1046231534 /nfs/dbraw/zinc/23/15/34/1046231534.db2.gz RTYDGEKNCPYMDJ-UHFFFAOYSA-N -1 3 357.288 2.926 20 10 FFCDHM C[C@@]1(c2ccccc2)CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737734572 1048657422 /nfs/dbraw/zinc/65/74/22/1048657422.db2.gz MDEJSYSKTPGHIR-HXUWFJFHSA-N -1 3 366.421 2.687 20 10 FFCDHM COC[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001340211116 1050619663 /nfs/dbraw/zinc/61/96/63/1050619663.db2.gz VTQXZTCCPMKSRQ-NSHDSACASA-N -1 3 359.455 2.660 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCO[C@H](C)C1 ZINC001340213604 1050620948 /nfs/dbraw/zinc/62/09/48/1050620948.db2.gz CPEUGZSOYUGBBS-LLVKDONJSA-N -1 3 359.455 2.896 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H](c1ccccc1)N1CCSCC1 ZINC001303877745 1051465244 /nfs/dbraw/zinc/46/52/44/1051465244.db2.gz FTAZHIUVMXHHEB-SFHVURJKSA-N -1 3 360.454 2.938 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001303878569 1051465499 /nfs/dbraw/zinc/46/54/99/1051465499.db2.gz NEBIQICAXZBMKZ-KRWDZBQOSA-N -1 3 372.396 2.949 20 10 FFCDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOCC1 ZINC001344100544 1052595524 /nfs/dbraw/zinc/59/55/24/1052595524.db2.gz CXBUDMPWRXXLSI-UHFFFAOYSA-N -1 3 359.455 2.753 20 10 FFCDHM Cc1nc(-c2nnc(N(C)Cc3ccccc3O)n2CC(C)C)cc(=O)[n-]1 ZINC001347657371 1054198369 /nfs/dbraw/zinc/19/83/69/1054198369.db2.gz QAVRDBQEWMSQIP-UHFFFAOYSA-N -1 3 368.441 2.747 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOCC2(CCC2)C1 ZINC001520149106 1059428405 /nfs/dbraw/zinc/42/84/05/1059428405.db2.gz KIFNBMCPWWOILV-UHFFFAOYSA-N -1 3 371.466 2.804 20 10 FFCDHM COC(=O)c1ccc2c(c1)OCCN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC001460927966 1061152858 /nfs/dbraw/zinc/15/28/58/1061152858.db2.gz GDAFGXSKDPNSIG-UHFFFAOYSA-N -1 3 373.380 2.915 20 10 FFCDHM CC1(C)Cc2cc(S(=O)(=O)NCc3c([O-])cccc3F)ccc2O1 ZINC001464599558 1062706566 /nfs/dbraw/zinc/70/65/66/1062706566.db2.gz SFRBAQURHXKAFX-UHFFFAOYSA-N -1 3 351.399 2.723 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1cccn(CC(F)(F)F)c1=O ZINC001465912659 1063259904 /nfs/dbraw/zinc/25/99/04/1063259904.db2.gz LZVIBIKNOZWSRK-UHFFFAOYSA-N -1 3 359.279 2.577 20 10 FFCDHM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(O)c1[O-] ZINC001442107298 1063500545 /nfs/dbraw/zinc/50/05/45/1063500545.db2.gz VPLYPVIDJCIAMG-UHFFFAOYSA-N -1 3 353.378 2.797 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1Cc2cc(Br)ccc2O1 ZINC001471976371 1064876028 /nfs/dbraw/zinc/87/60/28/1064876028.db2.gz XMZYXNXDZLCBSV-OAHLLOKOSA-N -1 3 366.186 2.914 20 10 FFCDHM CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1cccc(O)c1[O-] ZINC001472578831 1065101349 /nfs/dbraw/zinc/10/13/49/1065101349.db2.gz VWKBDLKJYFIEMQ-AWEZNQCLSA-N -1 3 366.211 2.666 20 10 FFCDHM CCN(CC)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2F)cc1F ZINC001577906063 1078412670 /nfs/dbraw/zinc/41/26/70/1078412670.db2.gz LBMVPEFYNXYFRY-UHFFFAOYSA-N -1 3 359.384 2.998 20 10 FFCDHM CCN(CC)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1F ZINC001577906063 1078412674 /nfs/dbraw/zinc/41/26/74/1078412674.db2.gz LBMVPEFYNXYFRY-UHFFFAOYSA-N -1 3 359.384 2.998 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(C)c1-c1nnn[n-]1 ZINC001580870659 1078881297 /nfs/dbraw/zinc/88/12/97/1078881297.db2.gz KVOSHMUPDGSCRX-UHFFFAOYSA-N -1 3 368.416 2.619 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(C)c1-c1nn[n-]n1 ZINC001580870659 1078881302 /nfs/dbraw/zinc/88/13/02/1078881302.db2.gz KVOSHMUPDGSCRX-UHFFFAOYSA-N -1 3 368.416 2.619 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001558455459 1076009889 /nfs/dbraw/zinc/00/98/89/1076009889.db2.gz UOVWQOHFOGWYKB-CYBMUJFWSA-N -1 3 362.788 2.854 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001565611537 1076746556 /nfs/dbraw/zinc/74/65/56/1076746556.db2.gz JDPLZXHWQLVMOH-INIZCTEOSA-N -1 3 352.438 2.644 20 10 FFCDHM COc1cccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1O ZINC001574231879 1077934024 /nfs/dbraw/zinc/93/40/24/1077934024.db2.gz JSFMMYDECAHUCZ-AWEZNQCLSA-N -1 3 360.410 2.585 20 10 FFCDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001589254543 1080449395 /nfs/dbraw/zinc/44/93/95/1080449395.db2.gz PHCKDWJRHOOINA-UHFFFAOYSA-N -1 3 367.413 2.677 20 10 FFCDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001589254543 1080449398 /nfs/dbraw/zinc/44/93/98/1080449398.db2.gz PHCKDWJRHOOINA-UHFFFAOYSA-N -1 3 367.413 2.677 20 10 FFCDHM C[C@@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589945356 1080888345 /nfs/dbraw/zinc/88/83/45/1080888345.db2.gz SUWKXRCZAZQSLK-LLVKDONJSA-N -1 3 354.389 2.563 20 10 FFCDHM C[C@@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589945356 1080888349 /nfs/dbraw/zinc/88/83/49/1080888349.db2.gz SUWKXRCZAZQSLK-LLVKDONJSA-N -1 3 354.389 2.563 20 10 FFCDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000041374260 136120938 /nfs/dbraw/zinc/12/09/38/136120938.db2.gz RNZHPVJIKQZGAF-UHFFFAOYSA-N -1 3 350.415 2.772 20 10 FFCDHM CCO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000068063082 507097680 /nfs/dbraw/zinc/09/76/80/507097680.db2.gz KYZIJQACOOSKDT-LUAWRHEFSA-N -1 3 356.494 2.797 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000047215277 507285834 /nfs/dbraw/zinc/28/58/34/507285834.db2.gz AHIRAQUHVLZNEE-UHFFFAOYSA-N -1 3 368.480 2.948 20 10 FFCDHM COC(=O)CN(Cc1noc(C(C)(C)C)n1)Cc1cc(Cl)ccc1[O-] ZINC000109779564 507986336 /nfs/dbraw/zinc/98/63/36/507986336.db2.gz RWLZRIDONIZGCF-UHFFFAOYSA-N -1 3 367.833 2.901 20 10 FFCDHM COCCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158050893 508649679 /nfs/dbraw/zinc/64/96/79/508649679.db2.gz KBYCMNNGBALSIU-MRXNPFEDSA-N -1 3 354.878 2.943 20 10 FFCDHM COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(OC)c1[O-] ZINC000179496932 509478788 /nfs/dbraw/zinc/47/87/88/509478788.db2.gz FXENZWOLKAQGGV-UHFFFAOYSA-N -1 3 356.422 2.940 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1O ZINC000267604657 509561131 /nfs/dbraw/zinc/56/11/31/509561131.db2.gz QACAFGDEVKBVLA-UHFFFAOYSA-N -1 3 350.415 2.536 20 10 FFCDHM O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192989945 509727962 /nfs/dbraw/zinc/72/79/62/509727962.db2.gz ARFFIBYWNVVHSI-UHFFFAOYSA-N -1 3 374.824 2.740 20 10 FFCDHM C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193000295 509730999 /nfs/dbraw/zinc/73/09/99/509730999.db2.gz HKOYKTGJEXYKOE-YMTOWFKASA-N -1 3 369.252 2.889 20 10 FFCDHM CN(C)C(=O)CC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000180333449 509872827 /nfs/dbraw/zinc/87/28/27/509872827.db2.gz WGVKKDRNDNKJNJ-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)n1cccn1 ZINC000268472579 509954149 /nfs/dbraw/zinc/95/41/49/509954149.db2.gz GUDKBHKYFKOVDF-NSHDSACASA-N -1 3 352.232 2.961 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c([O-])c1O ZINC000177677107 510196021 /nfs/dbraw/zinc/19/60/21/510196021.db2.gz CNVIZLLOIROZCI-UHFFFAOYSA-N -1 3 360.454 2.707 20 10 FFCDHM C[C@@H]([C@H]1CCCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277190470 510957138 /nfs/dbraw/zinc/95/71/38/510957138.db2.gz DAPPGUKPLWVQMB-XHDPSFHLSA-N -1 3 352.818 2.767 20 10 FFCDHM CC1(C)[C@@H]2OCC[C@@H]2[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277447247 510963759 /nfs/dbraw/zinc/96/37/59/510963759.db2.gz RBONQDQGZRPNNU-DAXOMENPSA-N -1 3 364.829 2.623 20 10 FFCDHM COc1c([O-])c(CNCc2cccc3c2OCCCO3)ccc1[N+](=O)[O-] ZINC000278508337 510994878 /nfs/dbraw/zinc/99/48/78/510994878.db2.gz PFUMRSDPWWHPSK-UHFFFAOYSA-N -1 3 360.366 2.760 20 10 FFCDHM C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000278576121 510999182 /nfs/dbraw/zinc/99/91/82/510999182.db2.gz GUASWAMBKRZFDU-GFCCVEGCSA-N -1 3 369.849 2.639 20 10 FFCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc2c(c1)CCO2 ZINC000289345212 511098134 /nfs/dbraw/zinc/09/81/34/511098134.db2.gz MHMNXPHVFACJLG-GOSISDBHSA-N -1 3 373.380 2.673 20 10 FFCDHM Cc1ccc(NCc2cccc(F)c2[O-])cc1S(=O)(=O)NC1CC1 ZINC000289619320 511106871 /nfs/dbraw/zinc/10/68/71/511106871.db2.gz WHMOCNZSRAIINQ-UHFFFAOYSA-N -1 3 350.415 2.893 20 10 FFCDHM C[C@H]1c2ccsc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271225255 511127948 /nfs/dbraw/zinc/12/79/48/511127948.db2.gz QSRUACHWZOYGFJ-JTQLQIEISA-N -1 3 366.464 2.585 20 10 FFCDHM COC(=O)CN(Cc1cnc([C@H](C)O)s1)Cc1cc(Cl)ccc1[O-] ZINC000290188179 511130421 /nfs/dbraw/zinc/13/04/21/511130421.db2.gz ZUIIYALQPXVJMA-JTQLQIEISA-N -1 3 370.858 2.731 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000290800611 511151496 /nfs/dbraw/zinc/15/14/96/511151496.db2.gz YDEAUFFRCBANAV-SNVBAGLBSA-N -1 3 371.315 2.953 20 10 FFCDHM COc1ccc([C@@H](O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000291331588 511165250 /nfs/dbraw/zinc/16/52/50/511165250.db2.gz UGINKNBYIVVWCO-GOSISDBHSA-N -1 3 357.406 2.692 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1[O-] ZINC000272546285 511498948 /nfs/dbraw/zinc/49/89/48/511498948.db2.gz YLHRCUKRGPSERP-UHFFFAOYSA-N -1 3 354.450 2.839 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c([O-])c1O ZINC000272744398 511506541 /nfs/dbraw/zinc/50/65/41/511506541.db2.gz MVQRFAKVKDDHQS-UHFFFAOYSA-N -1 3 370.405 2.567 20 10 FFCDHM C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454164 511526661 /nfs/dbraw/zinc/52/66/61/511526661.db2.gz GTRQYOLDWDGMNW-BXKDBHETSA-N -1 3 361.320 2.504 20 10 FFCDHM COc1ccccc1[C@@H](NCc1cc2c(cc1[O-])OCO2)c1noc(C)n1 ZINC000363538245 511613752 /nfs/dbraw/zinc/61/37/52/511613752.db2.gz OZFMRNVUAIWTGA-GOSISDBHSA-N -1 3 369.377 2.700 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231948 511691898 /nfs/dbraw/zinc/69/18/98/511691898.db2.gz FVOLKPZRJHYFRM-ZDUSSCGKSA-N -1 3 358.833 2.788 20 10 FFCDHM Cc1ccc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000374921232 513074435 /nfs/dbraw/zinc/07/44/35/513074435.db2.gz STKWANKOELLTIL-HNNXBMFYSA-N -1 3 374.462 2.702 20 10 FFCDHM C[C@H]1C[C@H](NC(c2nccn2C)c2nccn2C)c2c1c(F)ccc2[O-] ZINC000527947528 518007046 /nfs/dbraw/zinc/00/70/46/518007046.db2.gz QKJQPZOSEXOYGM-AAEUAGOBSA-N -1 3 355.417 2.926 20 10 FFCDHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000528274323 518161266 /nfs/dbraw/zinc/16/12/66/518161266.db2.gz VOEYUNQRSPDFOA-HIFRSBDPSA-N -1 3 357.248 2.910 20 10 FFCDHM O=[N+]([O-])c1ccc(NCCCSc2nccs2)c(-c2nnn[n-]2)c1 ZINC000738368993 598896291 /nfs/dbraw/zinc/89/62/91/598896291.db2.gz HQLMEFRLFBNZIS-UHFFFAOYSA-N -1 3 363.428 2.826 20 10 FFCDHM O=[N+]([O-])c1ccc(NCCCSc2nccs2)c(-c2nn[n-]n2)c1 ZINC000738368993 598896292 /nfs/dbraw/zinc/89/62/92/598896292.db2.gz HQLMEFRLFBNZIS-UHFFFAOYSA-N -1 3 363.428 2.826 20 10 FFCDHM S=C(NNc1cccc2cnccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000738401886 598646893 /nfs/dbraw/zinc/64/68/93/598646893.db2.gz VPOWRBOGBHQFLO-UHFFFAOYSA-N -1 3 362.422 2.728 20 10 FFCDHM S=C(NNc1cccc2cnccc21)Nc1ccccc1-c1nn[n-]n1 ZINC000738401886 598646895 /nfs/dbraw/zinc/64/68/95/598646895.db2.gz VPOWRBOGBHQFLO-UHFFFAOYSA-N -1 3 362.422 2.728 20 10 FFCDHM O=C([O-])Nc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000832842225 603542571 /nfs/dbraw/zinc/54/25/71/603542571.db2.gz RFNCSLZZEDRUII-UHFFFAOYSA-N -1 3 370.453 2.670 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821198935 606495335 /nfs/dbraw/zinc/49/53/35/606495335.db2.gz YHJRUELYFCOQIO-UHFFFAOYSA-N -1 3 356.455 2.704 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821198935 606495337 /nfs/dbraw/zinc/49/53/37/606495337.db2.gz YHJRUELYFCOQIO-UHFFFAOYSA-N -1 3 356.455 2.704 20 10 FFCDHM COCC[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826153999 607837420 /nfs/dbraw/zinc/83/74/20/607837420.db2.gz FWRDREZDGNBIEG-ZDUSSCGKSA-N -1 3 369.425 2.856 20 10 FFCDHM O[C@@H](COc1ccc(N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504792 607876762 /nfs/dbraw/zinc/87/67/62/607876762.db2.gz DKUBMPMCNTYDLT-SFHVURJKSA-N -1 3 351.410 2.579 20 10 FFCDHM O[C@@H](COc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504792 607876763 /nfs/dbraw/zinc/87/67/63/607876763.db2.gz DKUBMPMCNTYDLT-SFHVURJKSA-N -1 3 351.410 2.579 20 10 FFCDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)c(C)cc1O ZINC000826161806 608136134 /nfs/dbraw/zinc/13/61/34/608136134.db2.gz ATTFJQMOVYITDX-UHFFFAOYSA-N -1 3 369.425 2.826 20 10 FFCDHM CCOC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1-c1nnn[n-]1 ZINC000825553211 609488670 /nfs/dbraw/zinc/48/86/70/609488670.db2.gz MYQDASXPFWWADJ-UHFFFAOYSA-N -1 3 372.360 2.892 20 10 FFCDHM CCOC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1-c1nn[n-]n1 ZINC000825553211 609488672 /nfs/dbraw/zinc/48/86/72/609488672.db2.gz MYQDASXPFWWADJ-UHFFFAOYSA-N -1 3 372.360 2.892 20 10 FFCDHM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000076020383 728254215 /nfs/dbraw/zinc/25/42/15/728254215.db2.gz LJZMPJOCKJLWNA-AWEZNQCLSA-N -1 3 362.451 2.515 20 10 FFCDHM COC(=O)CN(Cc1nc(CC(C)C)no1)Cc1cc(Cl)ccc1[O-] ZINC000109779590 728528975 /nfs/dbraw/zinc/52/89/75/728528975.db2.gz KWJDVOFHCSTBDP-UHFFFAOYSA-N -1 3 367.833 2.802 20 10 FFCDHM C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000131635426 728722738 /nfs/dbraw/zinc/72/27/38/728722738.db2.gz SWVWYSQOQSYVJY-CQSZACIVSA-N -1 3 365.905 2.611 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC(C3CCC3)CC2)c1 ZINC000856252438 730319054 /nfs/dbraw/zinc/31/90/54/730319054.db2.gz MLADUOPYDXTIQC-UHFFFAOYSA-N -1 3 366.483 2.852 20 10 FFCDHM Cn1ncc(C(F)(F)F)c1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000858210596 730419887 /nfs/dbraw/zinc/41/98/87/730419887.db2.gz BGGBGWQAZJIAMB-UHFFFAOYSA-N -1 3 364.711 2.996 20 10 FFCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862352117 730690770 /nfs/dbraw/zinc/69/07/70/730690770.db2.gz ZRBRAZSJJVEACM-BLLLJJGKSA-N -1 3 356.260 2.925 20 10 FFCDHM CCOC(=O)[C@H](NCc1cc(F)ccc1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000862427767 730701246 /nfs/dbraw/zinc/70/12/46/730701246.db2.gz GGLJQVDYECMQAY-IAGOWNOFSA-N -1 3 367.804 2.940 20 10 FFCDHM O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCc2ccccc21 ZINC000729685053 734590309 /nfs/dbraw/zinc/59/03/09/734590309.db2.gz QDUGTRZGPJEWGZ-UHFFFAOYSA-N -1 3 361.785 2.633 20 10 FFCDHM CNC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894021716 734788085 /nfs/dbraw/zinc/78/80/85/734788085.db2.gz YSXICRAYKPUOCE-SECBINFHSA-N -1 3 361.667 2.766 20 10 FFCDHM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000734017144 734867741 /nfs/dbraw/zinc/86/77/41/734867741.db2.gz CEYFFHUOZVMHLB-STQMWFEESA-N -1 3 354.472 2.710 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1c(Br)nc2n1CCCC2 ZINC000928706833 738897634 /nfs/dbraw/zinc/89/76/34/738897634.db2.gz VZIPUDFRWXQAQS-UHFFFAOYSA-N -1 3 368.206 2.757 20 10 FFCDHM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000756362224 736325372 /nfs/dbraw/zinc/32/53/72/736325372.db2.gz ONFMGCPKGXBQQV-MRXNPFEDSA-N -1 3 350.415 2.639 20 10 FFCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756776836 736360643 /nfs/dbraw/zinc/36/06/43/736360643.db2.gz SCLXGMRVZJAVSZ-OQPBUACISA-N -1 3 374.666 2.926 20 10 FFCDHM CCN(CCc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000763689643 736959502 /nfs/dbraw/zinc/95/95/02/736959502.db2.gz GZRUAQLZLQEXAW-UHFFFAOYSA-N -1 3 368.480 2.530 20 10 FFCDHM COCCNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768236068 737408312 /nfs/dbraw/zinc/40/83/12/737408312.db2.gz GSQMBTLGVSCEEI-UHFFFAOYSA-N -1 3 361.269 2.674 20 10 FFCDHM CCN(CC)CC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769315425 737517157 /nfs/dbraw/zinc/51/71/57/737517157.db2.gz BMNFTZILLQOFTM-UHFFFAOYSA-N -1 3 374.312 2.685 20 10 FFCDHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769688182 737554050 /nfs/dbraw/zinc/55/40/50/737554050.db2.gz GAFKUWRHHKPZOR-XNRPHZJLSA-N -1 3 368.499 2.954 20 10 FFCDHM COC(=O)CN(CCO[C@@H]1CCCCO1)Cc1cc(Cl)ccc1[O-] ZINC000769746966 737560957 /nfs/dbraw/zinc/56/09/57/737560957.db2.gz MQVGTZJKGKFIMA-QGZVFWFLSA-N -1 3 357.834 2.564 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCCc2ccccc2)c1 ZINC000919809265 737878212 /nfs/dbraw/zinc/87/82/12/737878212.db2.gz KTCNLSZRZWEFNC-UHFFFAOYSA-N -1 3 362.451 2.516 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000790411379 739449747 /nfs/dbraw/zinc/44/97/47/739449747.db2.gz KYJSFMZCKMPGNA-UHFFFAOYSA-N -1 3 365.407 2.551 20 10 FFCDHM O=S(=O)(CCNCc1c([O-])ccc(Cl)c1F)Cc1ccccc1 ZINC000790955277 739518615 /nfs/dbraw/zinc/51/86/15/739518615.db2.gz DTHUYIBORMSRFA-UHFFFAOYSA-N -1 3 357.834 2.889 20 10 FFCDHM CN(CCN1C(=O)c2ccccc2C1=O)Cc1c([O-])ccc(Cl)c1F ZINC000792170328 739645841 /nfs/dbraw/zinc/64/58/41/739645841.db2.gz RYYAUMHBKNDQMV-UHFFFAOYSA-N -1 3 362.788 2.913 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC000816630509 742049311 /nfs/dbraw/zinc/04/93/11/742049311.db2.gz GRZAIWGUNFDDJQ-UHFFFAOYSA-N -1 3 368.861 2.867 20 10 FFCDHM CN(C)C(=O)CN(Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000824592599 743113579 /nfs/dbraw/zinc/11/35/79/743113579.db2.gz GXTMTASRWNDFIU-UHFFFAOYSA-N -1 3 369.181 2.607 20 10 FFCDHM COc1ccc(CNS(C)(=O)=O)cc1NCc1c([O-])cccc1Cl ZINC000824935754 743181974 /nfs/dbraw/zinc/18/19/74/743181974.db2.gz LCTAQJHDAWGZEN-UHFFFAOYSA-N -1 3 370.858 2.716 20 10 FFCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000840915724 747223502 /nfs/dbraw/zinc/22/35/02/747223502.db2.gz SODDOPQCUCJCLU-UHFFFAOYSA-N -1 3 351.424 2.965 20 10 FFCDHM COc1c([O-])c(CN2CCC(OC)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000841890994 747482541 /nfs/dbraw/zinc/48/25/41/747482541.db2.gz LTNHROHYKMEWTG-UHFFFAOYSA-N -1 3 364.320 2.852 20 10 FFCDHM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843433320 747836862 /nfs/dbraw/zinc/83/68/62/747836862.db2.gz XLAFYBSWGPNKKT-ZDUSSCGKSA-N -1 3 354.731 2.685 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CCC2)C2CCCC2)c1 ZINC000843994551 747947079 /nfs/dbraw/zinc/94/70/79/747947079.db2.gz TVNCXCYTWBWUCN-QGZVFWFLSA-N -1 3 366.483 2.852 20 10 FFCDHM COc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1[N-]S(C)(=O)=O ZINC000846158886 748417223 /nfs/dbraw/zinc/41/72/23/748417223.db2.gz GHUABOVQQWYJJX-NSHDSACASA-N -1 3 366.439 2.954 20 10 FFCDHM COC(=O)CN(CC[C@@H]1COC(C)(C)O1)Cc1cc(Cl)ccc1[O-] ZINC000851841401 749699413 /nfs/dbraw/zinc/69/94/13/749699413.db2.gz QVGUFAQAEGATKL-CQSZACIVSA-N -1 3 357.834 2.562 20 10 FFCDHM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279107245 962135514 /nfs/dbraw/zinc/13/55/14/962135514.db2.gz KWDURHMMTVCMIF-GASCZTMLSA-N -1 3 362.424 2.736 20 10 FFCDHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)[n-]1 ZINC000895234158 968585922 /nfs/dbraw/zinc/58/59/22/968585922.db2.gz BPWBICWFJRUCOU-CQSZACIVSA-N -1 3 357.458 2.823 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000911552698 982270984 /nfs/dbraw/zinc/27/09/84/982270984.db2.gz JJEATDAXTDIKTL-UHFFFAOYSA-N -1 3 353.422 2.779 20 10 FFCDHM COC1(C)CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237776773 992711660 /nfs/dbraw/zinc/71/16/60/992711660.db2.gz LCVNKLAGXCCEJI-UHFFFAOYSA-N -1 3 361.223 2.998 20 10 FFCDHM C[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593231286 994372131 /nfs/dbraw/zinc/37/21/31/994372131.db2.gz OMAJYCWUQDFSNE-AWEZNQCLSA-N -1 3 355.438 2.764 20 10 FFCDHM COC(=O)[C@H]1CC12CCN(Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])CC2 ZINC001598766139 995833963 /nfs/dbraw/zinc/83/39/63/995833963.db2.gz RQGLQGDKGFXCBZ-OAHLLOKOSA-N -1 3 374.412 2.791 20 10 FFCDHM Cc1ccc(C2(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CCC2)cc1 ZINC000844101614 997658952 /nfs/dbraw/zinc/65/89/52/997658952.db2.gz DFHDQFSXLUBKGR-UHFFFAOYSA-N -1 3 374.462 2.881 20 10 FFCDHM O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1cc(O)c([O-])c(O)c1 ZINC001148583294 1001175783 /nfs/dbraw/zinc/17/57/83/1001175783.db2.gz XDGZMXSQOYYENK-UHFFFAOYSA-N -1 3 362.345 2.765 20 10 FFCDHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591030 1001178258 /nfs/dbraw/zinc/17/82/58/1001178258.db2.gz RIYWIOIPNYVWDZ-VIFPVBQESA-N -1 3 366.211 2.927 20 10 FFCDHM CCOCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276193307 1016508014 /nfs/dbraw/zinc/50/80/14/1016508014.db2.gz YTHKJJQWERHNDH-IBGZPJMESA-N -1 3 368.424 2.664 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](O)Cc1cccc(F)c1 ZINC001184151664 1002505900 /nfs/dbraw/zinc/50/59/00/1002505900.db2.gz ZWJRMTYSSVWYIV-INIZCTEOSA-N -1 3 374.799 2.953 20 10 FFCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790887390 1002507870 /nfs/dbraw/zinc/50/78/70/1002507870.db2.gz JHSHAYUTGKSGLP-CYBMUJFWSA-N -1 3 364.442 2.959 20 10 FFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000790904975 1002515900 /nfs/dbraw/zinc/51/59/00/1002515900.db2.gz NAVNFLZHRWRXRD-SJLPKXTDSA-N -1 3 366.421 2.796 20 10 FFCDHM COc1c([O-])c(CNc2cccc(CN3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000774928476 1003068551 /nfs/dbraw/zinc/06/85/51/1003068551.db2.gz RZWSMOURTSRBEO-UHFFFAOYSA-N -1 3 373.365 2.873 20 10 FFCDHM CCn1nnnc1-c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774938916 1003078908 /nfs/dbraw/zinc/07/89/08/1003078908.db2.gz QFIBUNMNBFDTMB-UHFFFAOYSA-N -1 3 370.369 2.595 20 10 FFCDHM O=c1cc(C=Cc2ccc(N3CCOCC3)cc2)nc(-c2ccncc2)[n-]1 ZINC000806563771 1004363090 /nfs/dbraw/zinc/36/30/90/1004363090.db2.gz ZFYUWWSHXPPUFH-DAFODLJHSA-N -1 3 360.417 2.839 20 10 FFCDHM C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCN1S(C)(=O)=O ZINC000853565041 1006446662 /nfs/dbraw/zinc/44/66/62/1006446662.db2.gz YVIQQOUNTKSMBX-CYBMUJFWSA-N -1 3 374.462 2.757 20 10 FFCDHM COC(=O)c1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001190323542 1007581402 /nfs/dbraw/zinc/58/14/02/1007581402.db2.gz LUNHMBJPALYGOL-UHFFFAOYSA-N -1 3 371.780 2.705 20 10 FFCDHM CC1(C)C[C@@]1(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000856457880 1007833975 /nfs/dbraw/zinc/83/39/75/1007833975.db2.gz LOOAALKKPFORCL-LJQANCHMSA-N -1 3 374.462 2.819 20 10 FFCDHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000116651597 1008498473 /nfs/dbraw/zinc/49/84/73/1008498473.db2.gz IUHYMDNFESMRLV-UHFFFAOYSA-N -1 3 369.465 2.545 20 10 FFCDHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(C)n1-c1ccccc1C ZINC001136652687 1008825736 /nfs/dbraw/zinc/82/57/36/1008825736.db2.gz AXMMGCZBDCJRQM-INIZCTEOSA-N -1 3 352.438 2.644 20 10 FFCDHM COc1ccc(N2CC[C@H](CNC(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000823726817 1009207592 /nfs/dbraw/zinc/20/75/92/1009207592.db2.gz XWCGBGLUZZVYHO-OAHLLOKOSA-N -1 3 373.428 2.866 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(Cl)ccc2[O-])C1=O ZINC001275247747 1012137329 /nfs/dbraw/zinc/13/73/29/1012137329.db2.gz FVOYAEXACXUIIA-SGTLLEGYSA-N -1 3 350.846 2.590 20 10 FFCDHM CN(Cc1ccccc1)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778999610 1022627381 /nfs/dbraw/zinc/62/73/81/1022627381.db2.gz IPSYTJGGPRLJBR-UHFFFAOYSA-N -1 3 357.429 2.901 20 10 FFCDHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1)c1ccncc1 ZINC000779825468 1024882617 /nfs/dbraw/zinc/88/26/17/1024882617.db2.gz UKRDIMNGGYCBBP-UHFFFAOYSA-N -1 3 369.402 2.840 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2cccc(O)c2[O-])CC1 ZINC001154885880 1028499019 /nfs/dbraw/zinc/49/90/19/1028499019.db2.gz RSYNHIMGCAXBBQ-UHFFFAOYSA-N -1 3 350.415 2.617 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c([O-])c1O ZINC000780864024 1028837260 /nfs/dbraw/zinc/83/72/60/1028837260.db2.gz VCKBQMKVIDKDLF-UHFFFAOYSA-N -1 3 368.311 2.951 20 10 FFCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)nnn1-c1ccc(F)c(F)c1 ZINC001156170845 1029074656 /nfs/dbraw/zinc/07/46/56/1029074656.db2.gz UYZVVLVXPPJJGD-UHFFFAOYSA-N -1 3 362.311 2.629 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc2c1CNC2=O ZINC001156557120 1029245283 /nfs/dbraw/zinc/24/52/83/1029245283.db2.gz KPYYITIVOBXJNN-UHFFFAOYSA-N -1 3 367.792 2.767 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001203636596 1030798860 /nfs/dbraw/zinc/79/88/60/1030798860.db2.gz YBZMOHDIDMFJRR-RYUDHWBXSA-N -1 3 372.156 2.992 20 10 FFCDHM CC(C)CN1CCN(Cc2ccc(Br)cc2[O-])[C@H](C)C1=O ZINC001205489603 1031786344 /nfs/dbraw/zinc/78/63/44/1031786344.db2.gz VDWRJQHFCDDZPK-GFCCVEGCSA-N -1 3 355.276 2.843 20 10 FFCDHM Cc1cc(CC(=O)N2CCc3c(=O)[n-]cnc3C2)c(C)n1-c1ccccc1 ZINC000832011658 1034475211 /nfs/dbraw/zinc/47/52/11/1034475211.db2.gz ZCXVJVCUXBAXDO-UHFFFAOYSA-N -1 3 362.433 2.717 20 10 FFCDHM C[C@H](O)CCCC(=O)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380149 1034660100 /nfs/dbraw/zinc/66/01/00/1034660100.db2.gz OCKOPDIOWBVVDN-NSHDSACASA-N -1 3 354.358 2.624 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC001140062686 1035327855 /nfs/dbraw/zinc/32/78/55/1035327855.db2.gz DFCHORMUMHVNAD-RDJZCZTQSA-N -1 3 366.433 2.742 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232679 1035681781 /nfs/dbraw/zinc/68/17/81/1035681781.db2.gz WXOGCUIWNBYXIU-KUHUBIRLSA-N -1 3 366.889 2.895 20 10 FFCDHM C[C@H]1CCN(Cc2ccc(I)cc2[O-])CCC1=O ZINC001232975315 1036207982 /nfs/dbraw/zinc/20/79/82/1036207982.db2.gz ZWGHLCUSIIUYEN-JTQLQIEISA-N -1 3 359.207 2.798 20 10 FFCDHM CN(C)C(=O)[C@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031793 1036270065 /nfs/dbraw/zinc/27/00/65/1036270065.db2.gz MKSRRAGYTURCJO-JTQLQIEISA-N -1 3 359.239 2.594 20 10 FFCDHM CN1C(=O)CC[C@H]2CN(Cc3c([O-])cc(Br)cc3F)CC[C@H]21 ZINC001233033943 1036274495 /nfs/dbraw/zinc/27/44/95/1036274495.db2.gz YWDAKUXNRVSMOU-IINYFYTJSA-N -1 3 371.250 2.737 20 10 FFCDHM COCCOc1ccc(N2CCN(Cc3cccc([O-])c3F)CC2)cc1 ZINC001233054768 1036301234 /nfs/dbraw/zinc/30/12/34/1036301234.db2.gz XYEDEENEHIIXKS-UHFFFAOYSA-N -1 3 360.429 2.879 20 10 FFCDHM COc1cc([O-])c(CN2CCCC3(C2)OCCO3)cc1Br ZINC001233140478 1036389221 /nfs/dbraw/zinc/38/92/21/1036389221.db2.gz IUXJLWLDLYCNLC-UHFFFAOYSA-N -1 3 358.232 2.502 20 10 FFCDHM O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333907 1036542466 /nfs/dbraw/zinc/54/24/66/1036542466.db2.gz MAVOLPLZEAEWLX-FOIQADDNSA-N -1 3 373.403 2.594 20 10 FFCDHM [O-]c1c(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)cccc1C(F)(F)F ZINC001233418044 1036610628 /nfs/dbraw/zinc/61/06/28/1036610628.db2.gz QVGNZTIWLZYPQT-GASCZTMLSA-N -1 3 356.388 2.706 20 10 FFCDHM Cc1cc(O[C@H]2CCCOC2=O)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542485 1036731022 /nfs/dbraw/zinc/73/10/22/1036731022.db2.gz NIEDLZJTPZNMDJ-AWEZNQCLSA-N -1 3 352.342 2.560 20 10 FFCDHM O=C1CCCC2(CCN(Cc3cc(F)cc(Br)c3[O-])CC2)N1 ZINC001235299459 1037459385 /nfs/dbraw/zinc/45/93/85/1037459385.db2.gz UTQNLOMQWGZSIO-UHFFFAOYSA-N -1 3 371.250 2.929 20 10 FFCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231449241 1037588044 /nfs/dbraw/zinc/58/80/44/1037588044.db2.gz HJYRMXYNRXYTNG-OAHLLOKOSA-N -1 3 364.442 2.922 20 10 FFCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231449241 1037588046 /nfs/dbraw/zinc/58/80/46/1037588046.db2.gz HJYRMXYNRXYTNG-OAHLLOKOSA-N -1 3 364.442 2.922 20 10 FFCDHM CCOCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(F)c1Cl ZINC001278022997 1038331245 /nfs/dbraw/zinc/33/12/45/1038331245.db2.gz GRZLVJYEOPCBPL-HUUCEWRRSA-N -1 3 370.852 2.787 20 10 FFCDHM COC(=O)[C@H](C(C)C)N(C)Cc1c([O-])cc(OC)cc1Br ZINC001237069480 1038433564 /nfs/dbraw/zinc/43/35/64/1038433564.db2.gz GGVFTJLEZQSVLE-AWEZNQCLSA-N -1 3 360.248 2.793 20 10 FFCDHM COc1cc([O-])c(CN2CCC(=O)C(F)(F)C2)c(Br)c1 ZINC001237073087 1038437140 /nfs/dbraw/zinc/43/71/40/1038437140.db2.gz NZBQYVRXOHCAOX-UHFFFAOYSA-N -1 3 350.159 2.573 20 10 FFCDHM O=C1c2ccccc2C(=O)c2cc(NC[C@H](O)C(F)(F)F)c([O-])cc21 ZINC001250981448 1038873063 /nfs/dbraw/zinc/87/30/63/1038873063.db2.gz QZAPGIPBUYGKHU-AWEZNQCLSA-N -1 3 351.280 2.503 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001278491520 1039885564 /nfs/dbraw/zinc/88/55/64/1039885564.db2.gz XAUSKPJHDXKCGK-UHFFFAOYSA-N -1 3 359.857 2.793 20 10 FFCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250129124 1041124511 /nfs/dbraw/zinc/12/45/11/1041124511.db2.gz YKOQUXHXAQIUMR-HNNXBMFYSA-N -1 3 370.243 2.560 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001279219530 1042949458 /nfs/dbraw/zinc/94/94/58/1042949458.db2.gz FVVBVFANCMELNA-UHFFFAOYSA-N -1 3 362.271 2.943 20 10 FFCDHM Cc1ncsc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001279261632 1042971591 /nfs/dbraw/zinc/97/15/91/1042971591.db2.gz XWFAEKBPXUEFIS-HOTGVXAUSA-N -1 3 373.478 2.704 20 10 FFCDHM Cc1ncsc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001279261632 1042971594 /nfs/dbraw/zinc/97/15/94/1042971594.db2.gz XWFAEKBPXUEFIS-HOTGVXAUSA-N -1 3 373.478 2.704 20 10 FFCDHM Cc1cc([O-])c(CN2CC3(CCN3Cc3cccc(=O)[nH]3)C2)cc1Cl ZINC001279433629 1043108046 /nfs/dbraw/zinc/10/80/46/1043108046.db2.gz XNTMHPOKHDOFDW-UHFFFAOYSA-N -1 3 359.857 2.915 20 10 FFCDHM NCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1c(F)cccc1F ZINC001237676755 1043305060 /nfs/dbraw/zinc/30/50/60/1043305060.db2.gz SBZRHFRGMRQTNO-UHFFFAOYSA-N -1 3 374.796 2.550 20 10 FFCDHM C[C@H]1CC[C@@H](CO)CN1Cc1cccc(I)c1[O-] ZINC001237778533 1043353870 /nfs/dbraw/zinc/35/38/70/1043353870.db2.gz XNJXIZFGBQCACG-WDEREUQCSA-N -1 3 361.223 2.590 20 10 FFCDHM CC(C)(C)NC(=O)C[C@H]1C[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]2O1 ZINC001279735819 1043556612 /nfs/dbraw/zinc/55/66/12/1043556612.db2.gz FOJIAFVVEYXJRL-HSMVNMDESA-N -1 3 368.424 2.565 20 10 FFCDHM O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279971972 1044012944 /nfs/dbraw/zinc/01/29/44/1044012944.db2.gz KCYKTZAACRFCRM-QLJPJBMISA-N -1 3 367.236 2.883 20 10 FFCDHM C[C@H](NC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-])c1ncc[nH]1 ZINC001279984001 1044036475 /nfs/dbraw/zinc/03/64/75/1044036475.db2.gz YFZIWKURTFKVHI-RRUGBERISA-N -1 3 360.845 2.611 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001312445502 1044117483 /nfs/dbraw/zinc/11/74/83/1044117483.db2.gz KPLKENSXIMUMCO-LBPRGKRZSA-N -1 3 367.421 2.730 20 10 FFCDHM O=C(NCc1ccccn1)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001540851309 1071021714 /nfs/dbraw/zinc/02/17/14/1071021714.db2.gz IFNPSEGFCQVWHG-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM CN(CC1CCOCC1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340096366 1050501000 /nfs/dbraw/zinc/50/10/00/1050501000.db2.gz ZWEUSXVEEGYYRA-UHFFFAOYSA-N -1 3 359.455 2.660 20 10 FFCDHM CC[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2CC)CCO1 ZINC001340217583 1050624962 /nfs/dbraw/zinc/62/49/62/1050624962.db2.gz YCOXHZDSKPRVJL-NSHDSACASA-N -1 3 359.455 2.896 20 10 FFCDHM C[C@H](CC(=O)NCc1c([O-])cccc1F)S(=O)(=O)c1ccc(F)cc1 ZINC001303879281 1051465598 /nfs/dbraw/zinc/46/55/98/1051465598.db2.gz WCEYKUMTOQXECP-LLVKDONJSA-N -1 3 369.389 2.539 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000750819455 1052137396 /nfs/dbraw/zinc/13/73/96/1052137396.db2.gz BGZNKEWSRLJJKJ-AWEZNQCLSA-N -1 3 374.372 2.724 20 10 FFCDHM O=C1NCCN(Cc2ccc(Br)cc2[O-])[C@H]1c1ccccc1 ZINC001308581750 1052473067 /nfs/dbraw/zinc/47/30/67/1052473067.db2.gz NUKNHEFXRJPMDF-INIZCTEOSA-N -1 3 361.239 2.828 20 10 FFCDHM C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCc3c([O-])cccc3F)c2N1 ZINC001348360051 1054652099 /nfs/dbraw/zinc/65/20/99/1054652099.db2.gz XQCOKVKWIPHRIK-PRHODGIISA-N -1 3 354.332 2.668 20 10 FFCDHM CC(C)OCc1cccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001517000209 1060296496 /nfs/dbraw/zinc/29/64/96/1060296496.db2.gz HBFJVJHUZKUNHV-UHFFFAOYSA-N -1 3 360.385 2.711 20 10 FFCDHM CC(C)(C)c1csc(NC(=O)C(=O)NCc2c([O-])cccc2F)n1 ZINC001517001194 1060299264 /nfs/dbraw/zinc/29/92/64/1060299264.db2.gz SYSBETRNMROXHM-UHFFFAOYSA-N -1 3 351.403 2.540 20 10 FFCDHM Cc1cccc(NC(=O)CSCC(=O)NCc2c([O-])cccc2F)c1 ZINC001458021423 1060490130 /nfs/dbraw/zinc/49/01/30/1060490130.db2.gz ANYQFKNMYIGKFC-UHFFFAOYSA-N -1 3 362.426 2.828 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001474379990 1065507599 /nfs/dbraw/zinc/50/75/99/1065507599.db2.gz KVBIECKKPIHAKF-BLLLJJGKSA-N -1 3 363.845 2.558 20 10 FFCDHM Cc1cc(CCNc2nnccc2-c2nnn[n-]2)c(C)n1-c1ccccc1 ZINC001580922673 1078891921 /nfs/dbraw/zinc/89/19/21/1078891921.db2.gz DICULILSIWDAMD-UHFFFAOYSA-N -1 3 360.425 2.719 20 10 FFCDHM Cc1cc(CCNc2nnccc2-c2nn[n-]n2)c(C)n1-c1ccccc1 ZINC001580922673 1078891926 /nfs/dbraw/zinc/89/19/26/1078891926.db2.gz DICULILSIWDAMD-UHFFFAOYSA-N -1 3 360.425 2.719 20 10 FFCDHM Oc1ccccc1CN(Cc1ccco1)Cc1cccc(-c2nnn[n-]2)n1 ZINC001582816758 1079114758 /nfs/dbraw/zinc/11/47/58/1079114758.db2.gz SBWUASILRVQASH-UHFFFAOYSA-N -1 3 362.393 2.763 20 10 FFCDHM Oc1cccc(O)c1CNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001582816945 1079114023 /nfs/dbraw/zinc/11/40/23/1079114023.db2.gz VJEYIZYAHWEMTC-UHFFFAOYSA-N -1 3 362.187 2.653 20 10 FFCDHM Oc1cccc(O)c1CNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001582816945 1079114024 /nfs/dbraw/zinc/11/40/24/1079114024.db2.gz VJEYIZYAHWEMTC-UHFFFAOYSA-N -1 3 362.187 2.653 20 10 FFCDHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cc2cc(O)c(O)cc2s1 ZINC001558310484 1075976821 /nfs/dbraw/zinc/97/68/21/1075976821.db2.gz WYSYLWCMQWHIJK-UHFFFAOYSA-N -1 3 357.391 2.616 20 10 FFCDHM CO[C@H]1C[C@H]2CN(Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968277 1076314677 /nfs/dbraw/zinc/31/46/77/1076314677.db2.gz JAHPEERSHYABJT-GJZGRUSLSA-N -1 3 361.392 2.675 20 10 FFCDHM CN(c1ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)cc1)C1CCCCC1 ZINC001561178895 1076343710 /nfs/dbraw/zinc/34/37/10/1076343710.db2.gz KEKCHZIBOLEWSN-UHFFFAOYSA-N -1 3 373.544 2.518 20 10 FFCDHM Cn1nccc1[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001574472053 1077997738 /nfs/dbraw/zinc/99/77/38/1077997738.db2.gz GYRSCJHMZHOQHR-LJQANCHMSA-N -1 3 367.405 2.620 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@@H]2c2nncn2C)c1[O-] ZINC000180561676 509985667 /nfs/dbraw/zinc/98/56/67/509985667.db2.gz GXEBLBJAQIQIPJ-CYBMUJFWSA-N -1 3 351.248 2.929 20 10 FFCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079410307 507959992 /nfs/dbraw/zinc/95/99/92/507959992.db2.gz UUIUPHVELLHKSC-AWEZNQCLSA-N -1 3 350.434 2.862 20 10 FFCDHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092762136 508100092 /nfs/dbraw/zinc/10/00/92/508100092.db2.gz BPVQQLJFEHATBJ-WFASDCNBSA-N -1 3 354.472 2.805 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000094034771 508164158 /nfs/dbraw/zinc/16/41/58/508164158.db2.gz JHCVIUJZNGWATO-OAHLLOKOSA-N -1 3 352.456 2.559 20 10 FFCDHM C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094153457 508171062 /nfs/dbraw/zinc/17/10/62/508171062.db2.gz VJMBCNDXABPYOD-ZOWXZIJZSA-N -1 3 352.456 2.557 20 10 FFCDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1 ZINC000114551796 508326138 /nfs/dbraw/zinc/32/61/38/508326138.db2.gz BMISNWRJQCCVLQ-UHFFFAOYSA-N -1 3 368.480 2.533 20 10 FFCDHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000115721043 508431047 /nfs/dbraw/zinc/43/10/47/508431047.db2.gz IUNSLCILHRXJHD-ZFWWWQNUSA-N -1 3 374.462 2.782 20 10 FFCDHM Cc1ccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)c([O-])c1O ZINC000375582545 512405446 /nfs/dbraw/zinc/40/54/46/512405446.db2.gz GPDGZLCGWLLHBV-OAHLLOKOSA-N -1 3 366.417 2.971 20 10 FFCDHM CCN(CC)S(=O)(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000123905867 508756952 /nfs/dbraw/zinc/75/69/52/508756952.db2.gz ZUFZBVGFDICAOI-UHFFFAOYSA-N -1 3 365.293 2.563 20 10 FFCDHM Cc1ccc(C(=O)N(C)Cc2cc(Br)cn2C)c([O-])c1O ZINC000182603298 509328329 /nfs/dbraw/zinc/32/83/29/509328329.db2.gz BXMQBVDGZVGCON-UHFFFAOYSA-N -1 3 353.216 2.779 20 10 FFCDHM COc1ccc(CCC(=O)N2CCN(Cc3ccccc3[O-])CC2)cc1 ZINC000179563811 509516008 /nfs/dbraw/zinc/51/60/08/509516008.db2.gz ORYRSTLPYWWECL-UHFFFAOYSA-N -1 3 354.450 2.678 20 10 FFCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183083179 509585725 /nfs/dbraw/zinc/58/57/25/509585725.db2.gz KTWPIIYAGIMVPB-OAHLLOKOSA-N -1 3 361.463 2.590 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1c(C)ccn1C ZINC000190423468 510123184 /nfs/dbraw/zinc/12/31/84/510123184.db2.gz GVBHKHNJLTTXJL-UHFFFAOYSA-N -1 3 350.802 2.508 20 10 FFCDHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NS(=O)(=O)CC)cc1 ZINC000187300233 510181035 /nfs/dbraw/zinc/18/10/35/510181035.db2.gz JDPJEAYVYLPBPX-UHFFFAOYSA-N -1 3 368.480 2.811 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c([O-])c1O ZINC000177673912 510193967 /nfs/dbraw/zinc/19/39/67/510193967.db2.gz NFIPRVDQPMAGIT-UHFFFAOYSA-N -1 3 360.454 2.517 20 10 FFCDHM CS(=O)(=O)N1CCc2c1cccc2NCc1cc(Cl)ccc1[O-] ZINC000184220862 510200664 /nfs/dbraw/zinc/20/06/64/510200664.db2.gz MLGLDYHNWOWYQL-UHFFFAOYSA-N -1 3 352.843 2.980 20 10 FFCDHM COc1ccnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c1OC ZINC000190859896 510378398 /nfs/dbraw/zinc/37/83/98/510378398.db2.gz QRLNGILOWLYPBN-MRXNPFEDSA-N -1 3 358.438 2.986 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187694012 510389568 /nfs/dbraw/zinc/38/95/68/510389568.db2.gz NABXYNQFAGXHLV-QWRGUYRKSA-N -1 3 370.421 2.990 20 10 FFCDHM CCCCN(Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000184673286 510452492 /nfs/dbraw/zinc/45/24/92/510452492.db2.gz OOCXRFKWGBSNIF-AWEZNQCLSA-N -1 3 361.891 2.843 20 10 FFCDHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c(C)o1 ZINC000182313143 510848716 /nfs/dbraw/zinc/84/87/16/510848716.db2.gz RLXVUOMFXFCWFV-UHFFFAOYSA-N -1 3 372.421 2.651 20 10 FFCDHM COc1ccc(CN2CCCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000276778967 510946529 /nfs/dbraw/zinc/94/65/29/510946529.db2.gz ZFGANKHEODUIIR-UHFFFAOYSA-N -1 3 374.412 2.594 20 10 FFCDHM C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998721 510951837 /nfs/dbraw/zinc/95/18/37/510951837.db2.gz YXIZGGINQUBULF-MLGOLLRUSA-N -1 3 361.392 2.907 20 10 FFCDHM Cn1ncc2c1CCC[C@H]2N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277405209 510962413 /nfs/dbraw/zinc/96/24/13/510962413.db2.gz QFTUTZFPZOKPLS-OAHLLOKOSA-N -1 3 374.828 2.621 20 10 FFCDHM C[C@H]1CN(C2CCOCC2)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000278576124 511000193 /nfs/dbraw/zinc/00/01/93/511000193.db2.gz GUASWAMBKRZFDU-LBPRGKRZSA-N -1 3 369.849 2.639 20 10 FFCDHM C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850166 511014625 /nfs/dbraw/zinc/01/46/25/511014625.db2.gz ZCPFPAWGUKRPPT-BXKDBHETSA-N -1 3 354.319 2.584 20 10 FFCDHM CN(C)C(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccc(Cl)cc21 ZINC000279267507 511023309 /nfs/dbraw/zinc/02/33/09/511023309.db2.gz KATQJCMNOOINHK-LLVKDONJSA-N -1 3 374.824 2.974 20 10 FFCDHM CC[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000287578226 511053041 /nfs/dbraw/zinc/05/30/41/511053041.db2.gz QXGRIDHGNMRFJU-INIZCTEOSA-N -1 3 359.401 2.652 20 10 FFCDHM COc1c([O-])c(CN2CC[C@](O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364761696 511067555 /nfs/dbraw/zinc/06/75/55/511067555.db2.gz WFRBGNVSHVBELP-GOSISDBHSA-N -1 3 362.357 2.542 20 10 FFCDHM [O-]c1c(Br)cccc1CNCc1cnc(C2OCCO2)s1 ZINC000289695375 511109022 /nfs/dbraw/zinc/10/90/22/511109022.db2.gz NIVHTQVQISMSTA-UHFFFAOYSA-N -1 3 371.256 2.946 20 10 FFCDHM CCCCN(C)C(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000297943132 511118398 /nfs/dbraw/zinc/11/83/98/511118398.db2.gz TXTOCTHXJFMOAX-UHFFFAOYSA-N -1 3 371.275 2.762 20 10 FFCDHM COc1c([O-])c(CN2CCC(C)(c3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000365118209 511268012 /nfs/dbraw/zinc/26/80/12/511268012.db2.gz GSAKDXTZBFROJU-UHFFFAOYSA-N -1 3 362.386 2.554 20 10 FFCDHM COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1OCCO ZINC000273386000 511525064 /nfs/dbraw/zinc/52/50/64/511525064.db2.gz JLNJCYFRPDANMC-LBPRGKRZSA-N -1 3 362.382 2.531 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000273397697 511525107 /nfs/dbraw/zinc/52/51/07/511525107.db2.gz MIDSZLDCLZIRJA-ZDUSSCGKSA-N -1 3 366.421 2.919 20 10 FFCDHM C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464213 511527460 /nfs/dbraw/zinc/52/74/60/511527460.db2.gz DHXBOKXDYFITHT-GFCCVEGCSA-N -1 3 364.423 2.696 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000363574463 511637219 /nfs/dbraw/zinc/63/72/19/511637219.db2.gz FXLOZLDDGKULNE-UHFFFAOYSA-N -1 3 366.483 2.806 20 10 FFCDHM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000364052234 511932122 /nfs/dbraw/zinc/93/21/22/511932122.db2.gz BEJADFOEYCMRDJ-LJQANCHMSA-N -1 3 374.462 2.568 20 10 FFCDHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(O)c2[O-])c1C ZINC000274928717 511990507 /nfs/dbraw/zinc/99/05/07/511990507.db2.gz COIWSFCHJYNDNR-OAHLLOKOSA-N -1 3 372.446 2.868 20 10 FFCDHM COc1cc(Br)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000376009287 512613946 /nfs/dbraw/zinc/61/39/46/512613946.db2.gz WNBTYBGXBRXQSF-BDJLRTHQSA-N -1 3 372.259 2.543 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000374481738 512852825 /nfs/dbraw/zinc/85/28/25/512852825.db2.gz OUSPGHCCTDVATJ-KRWDZBQOSA-N -1 3 361.417 2.658 20 10 FFCDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736532454 598607634 /nfs/dbraw/zinc/60/76/34/598607634.db2.gz SEZWCLKUKGYZQZ-UHFFFAOYSA-N -1 3 364.453 2.985 20 10 FFCDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736532454 598607636 /nfs/dbraw/zinc/60/76/36/598607636.db2.gz SEZWCLKUKGYZQZ-UHFFFAOYSA-N -1 3 364.453 2.985 20 10 FFCDHM CC(C)Oc1ccc(NC(=O)NCc2ccccc2O)cc1-c1nnn[n-]1 ZINC000820170134 607426213 /nfs/dbraw/zinc/42/62/13/607426213.db2.gz RQCXYKSJHGPWLV-UHFFFAOYSA-N -1 3 368.397 2.681 20 10 FFCDHM CC(C)Oc1ccc(NC(=O)NCc2ccccc2O)cc1-c1nn[n-]n1 ZINC000820170134 607426214 /nfs/dbraw/zinc/42/62/14/607426214.db2.gz RQCXYKSJHGPWLV-UHFFFAOYSA-N -1 3 368.397 2.681 20 10 FFCDHM O=C([O-])c1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c[nH]1 ZINC000833296683 601833509 /nfs/dbraw/zinc/83/35/09/601833509.db2.gz PQQCOKLUDSYWSV-HNNXBMFYSA-N -1 3 363.845 2.826 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC(CNC(=O)[O-])CC2)c1O ZINC000833898641 605989421 /nfs/dbraw/zinc/98/94/21/605989421.db2.gz VOBZQJSZGSPFFY-UHFFFAOYSA-N -1 3 357.248 2.943 20 10 FFCDHM Cc1cc(Br)cc(C[NH+]2CCC(CNC(=O)[O-])CC2)c1[O-] ZINC000833898641 605989423 /nfs/dbraw/zinc/98/94/23/605989423.db2.gz VOBZQJSZGSPFFY-UHFFFAOYSA-N -1 3 357.248 2.943 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821221665 606535313 /nfs/dbraw/zinc/53/53/13/606535313.db2.gz LKZCVWQHVUSCOL-UHFFFAOYSA-N -1 3 356.455 2.657 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821221665 606535315 /nfs/dbraw/zinc/53/53/15/606535315.db2.gz LKZCVWQHVUSCOL-UHFFFAOYSA-N -1 3 356.455 2.657 20 10 FFCDHM CN(C(=O)C=Cc1cncc(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569808 606962752 /nfs/dbraw/zinc/96/27/52/606962752.db2.gz WODZEUXLEUNZQR-DJWKRKHSSA-N -1 3 358.764 2.730 20 10 FFCDHM CN(C(=O)C=Cc1cncc(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569808 606962753 /nfs/dbraw/zinc/96/27/53/606962753.db2.gz WODZEUXLEUNZQR-DJWKRKHSSA-N -1 3 358.764 2.730 20 10 FFCDHM COc1ccc2c(c1)CCCCN2C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212810 608259221 /nfs/dbraw/zinc/25/92/21/608259221.db2.gz BTDRXZPOBCLUQG-LJQANCHMSA-N -1 3 365.437 2.752 20 10 FFCDHM COc1ccc2c(c1)CCCCN2C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212810 608259224 /nfs/dbraw/zinc/25/92/24/608259224.db2.gz BTDRXZPOBCLUQG-LJQANCHMSA-N -1 3 365.437 2.752 20 10 FFCDHM CCN(CC)C(=O)[C@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000092510380 728468111 /nfs/dbraw/zinc/46/81/11/728468111.db2.gz XHXQFRIPHHBIOH-CQSZACIVSA-N -1 3 355.276 2.988 20 10 FFCDHM CCN(Cc1cccc(Br)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093414062 728475856 /nfs/dbraw/zinc/47/58/56/728475856.db2.gz GTAPOPJHVRGWAL-NSHDSACASA-N -1 3 364.305 2.800 20 10 FFCDHM CN1CCCc2cc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000119672255 728598473 /nfs/dbraw/zinc/59/84/73/728598473.db2.gz UFYDMNXNZMHWOK-UHFFFAOYSA-N -1 3 367.452 2.517 20 10 FFCDHM C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000133727100 728727641 /nfs/dbraw/zinc/72/76/41/728727641.db2.gz NBCMIIMJMZBKPS-OAHLLOKOSA-N -1 3 365.905 2.564 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncc(F)c1 ZINC000134270115 728729472 /nfs/dbraw/zinc/72/94/72/728729472.db2.gz JLICJTVPMNVZCR-MRXNPFEDSA-N -1 3 363.820 2.974 20 10 FFCDHM COc1ccc(CNCc2c([O-])cccc2Br)c(OC)n1 ZINC000858166256 730418453 /nfs/dbraw/zinc/41/84/53/730418453.db2.gz FCCNNQGLMHYYQF-UHFFFAOYSA-N -1 3 353.216 2.857 20 10 FFCDHM CN(CC(=O)NCc1cccs1)Cc1c([O-])cccc1Br ZINC000862244450 730681062 /nfs/dbraw/zinc/68/10/62/730681062.db2.gz BAULPKPXVKSCRT-UHFFFAOYSA-N -1 3 369.284 2.964 20 10 FFCDHM CS(=O)(=O)C[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862387243 730695524 /nfs/dbraw/zinc/69/55/24/730695524.db2.gz IQTBQICYZUTNMA-LLVKDONJSA-N -1 3 362.289 2.554 20 10 FFCDHM COC(=O)CN(Cc1nc(CC2CC2)no1)Cc1cc(Cl)ccc1[O-] ZINC000878242069 732502709 /nfs/dbraw/zinc/50/27/09/732502709.db2.gz FXTWRAZNWQHFCD-UHFFFAOYSA-N -1 3 365.817 2.556 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907061 738670936 /nfs/dbraw/zinc/67/09/36/738670936.db2.gz CUDYAWFRZJHRDZ-GHMZBOCLSA-N -1 3 364.305 2.717 20 10 FFCDHM O=C1C[C@]2(CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)CN1 ZINC000894591652 734883859 /nfs/dbraw/zinc/88/38/59/734883859.db2.gz FPFCJLXVMRPRQQ-CQSZACIVSA-N -1 3 359.651 2.520 20 10 FFCDHM Nc1nc(NCc2c([O-])cccc2F)nc(C(F)(F)C(F)(F)F)n1 ZINC000895832854 735061691 /nfs/dbraw/zinc/06/16/91/735061691.db2.gz OLBFYMDVNLFDCU-UHFFFAOYSA-N -1 3 353.226 2.565 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928707355 738897620 /nfs/dbraw/zinc/89/76/20/738897620.db2.gz CZTZXBWOQMAENA-AWEZNQCLSA-N -1 3 352.406 2.841 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OCC(C)C)CC2)c1[O-] ZINC000750822881 735817953 /nfs/dbraw/zinc/81/79/53/735817953.db2.gz LOPCGRUVULWJDL-UHFFFAOYSA-N -1 3 352.406 2.644 20 10 FFCDHM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000756341294 736323919 /nfs/dbraw/zinc/32/39/19/736323919.db2.gz VSRJANOYBSLAMR-MRXNPFEDSA-N -1 3 350.415 2.639 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000921431964 737982702 /nfs/dbraw/zinc/98/27/02/737982702.db2.gz CKUSFHDAHHFNEN-NSHDSACASA-N -1 3 364.808 2.658 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774841222 738031447 /nfs/dbraw/zinc/03/14/47/738031447.db2.gz XHOCUUGOBOWQID-LLVKDONJSA-N -1 3 364.320 2.852 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)NC(=O)CS3)ccc1[N+](=O)[O-] ZINC000774943214 738042779 /nfs/dbraw/zinc/04/27/79/738042779.db2.gz XSMCFVTWUBXEFT-UHFFFAOYSA-N -1 3 361.379 2.965 20 10 FFCDHM COc1c([O-])c(CNc2cccnc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000775038892 738055941 /nfs/dbraw/zinc/05/59/41/738055941.db2.gz KCDBBQLLTNOQGQ-UHFFFAOYSA-N -1 3 355.297 2.960 20 10 FFCDHM C[C@H]1OCC[C@@]12CN(Cc1cc(Br)ccc1[O-])C[C@@H](C)O2 ZINC000790932280 739515527 /nfs/dbraw/zinc/51/55/27/739515527.db2.gz NFIJIWYVKZLOJY-XHBSWPGZSA-N -1 3 356.260 2.923 20 10 FFCDHM CCCN(Cc1cc(Br)ccc1[O-])[C@@H](COC)C(=O)OCC ZINC000792185992 739648693 /nfs/dbraw/zinc/64/86/93/739648693.db2.gz NKNYDZRHMBLKIO-AWEZNQCLSA-N -1 3 374.275 2.945 20 10 FFCDHM CNC(=O)C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000795600486 740043003 /nfs/dbraw/zinc/04/30/03/740043003.db2.gz DSWAXTOBTIIIKG-CQSZACIVSA-N -1 3 363.801 2.921 20 10 FFCDHM COc1ccc(CNCc2cccc(Br)c2[O-])c(OC)n1 ZINC000810177061 741395291 /nfs/dbraw/zinc/39/52/91/741395291.db2.gz IPWNBJYVBVGJNZ-UHFFFAOYSA-N -1 3 353.216 2.857 20 10 FFCDHM C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815614013 741948016 /nfs/dbraw/zinc/94/80/16/741948016.db2.gz CZNMUUZTBKRRML-SNVBAGLBSA-N -1 3 356.348 2.869 20 10 FFCDHM NC(=O)c1ccc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)cc1 ZINC000816514330 742037055 /nfs/dbraw/zinc/03/70/55/742037055.db2.gz UCPHLGILPHMDSD-UHFFFAOYSA-N -1 3 363.820 2.606 20 10 FFCDHM CN1CCN(c2ccc(NCc3cc(Cl)c(F)cc3[O-])cn2)CC1 ZINC000816528130 742038553 /nfs/dbraw/zinc/03/85/53/742038553.db2.gz NRQKLARZMVQWKV-UHFFFAOYSA-N -1 3 350.825 2.944 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[O-] ZINC000817882133 742220426 /nfs/dbraw/zinc/22/04/26/742220426.db2.gz ZWHOIEDARDIBTB-GXSJLCMTSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[O-] ZINC000817882133 742220428 /nfs/dbraw/zinc/22/04/28/742220428.db2.gz ZWHOIEDARDIBTB-GXSJLCMTSA-N -1 3 358.232 2.706 20 10 FFCDHM COC(=O)c1cnc([C@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000818358305 742266896 /nfs/dbraw/zinc/26/68/96/742266896.db2.gz TYLNEYSDMFZKIH-ZJUUUORDSA-N -1 3 364.423 2.834 20 10 FFCDHM Cc1cc([O-])c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1Cl ZINC000824870046 743168230 /nfs/dbraw/zinc/16/82/30/743168230.db2.gz LTNZGSYMVGXHSC-MRXNPFEDSA-N -1 3 366.889 2.957 20 10 FFCDHM [O-]c1cccc(Cl)c1CN(CCN1CCOCC1)Cc1ccco1 ZINC000825305220 743245282 /nfs/dbraw/zinc/24/52/82/743245282.db2.gz DPVLYVDAFRGQRS-UHFFFAOYSA-N -1 3 350.846 2.973 20 10 FFCDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000825754072 743323047 /nfs/dbraw/zinc/32/30/47/743323047.db2.gz ZFQVPEFBGWWYTR-MRXNPFEDSA-N -1 3 356.260 2.925 20 10 FFCDHM CCON(CC1CCCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000837201401 746393001 /nfs/dbraw/zinc/39/30/01/746393001.db2.gz YIYNNRRVSCTBBA-UHFFFAOYSA-N -1 3 370.471 2.738 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000055639174 845335056 /nfs/dbraw/zinc/33/50/56/845335056.db2.gz ZNQXRXVAJIAROM-UHFFFAOYSA-N -1 3 374.871 2.902 20 10 FFCDHM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cccc1Cl ZINC001275837810 1013059572 /nfs/dbraw/zinc/05/95/72/1013059572.db2.gz NNAXVYQYEURYFD-YJYMSZOUSA-N -1 3 364.873 2.980 20 10 FFCDHM COc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000737053687 944939411 /nfs/dbraw/zinc/93/94/11/944939411.db2.gz KHMFBQIHBUMJMT-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000737053687 944939423 /nfs/dbraw/zinc/93/94/23/944939423.db2.gz KHMFBQIHBUMJMT-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM O=C1N(Cc2ccncc2)CC[C@]12CCCN2Cc1cccc(F)c1[O-] ZINC001276086760 1013427865 /nfs/dbraw/zinc/42/78/65/1013427865.db2.gz UAKRDVPPSMPDNW-HXUWFJFHSA-N -1 3 355.413 2.693 20 10 FFCDHM CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1[O-] ZINC001276086516 1013433382 /nfs/dbraw/zinc/43/33/82/1013433382.db2.gz RWVDHUKPJZLLET-HZPDHXFCSA-N -1 3 362.445 2.712 20 10 FFCDHM O=C(NCc1ccc(OCC(F)(F)F)nc1)NCc1c([O-])cccc1F ZINC000914043701 987140153 /nfs/dbraw/zinc/14/01/53/987140153.db2.gz MFIXLFOXDFTMCW-UHFFFAOYSA-N -1 3 373.306 2.867 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000922554529 988691889 /nfs/dbraw/zinc/69/18/89/988691889.db2.gz KJRDFXYCXPQZPC-ZDUSSCGKSA-N -1 3 361.392 2.996 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccccc2OCCn2ccnc2)c([O-])c1O ZINC000179449123 991256534 /nfs/dbraw/zinc/25/65/34/991256534.db2.gz VMYGEGRZHLCADX-UHFFFAOYSA-N -1 3 353.378 2.934 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c([O-])c1O ZINC000182591665 992181366 /nfs/dbraw/zinc/18/13/66/992181366.db2.gz RAYQHPAQQOZKMG-UHFFFAOYSA-N -1 3 350.374 2.869 20 10 FFCDHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)C2 ZINC000183172416 992376624 /nfs/dbraw/zinc/37/66/24/992376624.db2.gz OPYCYUQSWANSCC-XIKOKIGWSA-N -1 3 374.462 2.735 20 10 FFCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)cc2C)C(=O)[O-])c(OC)c1 ZINC001599532162 997675773 /nfs/dbraw/zinc/67/57/73/997675773.db2.gz PGVZBQGZZVZKBX-LJQANCHMSA-N -1 3 358.438 2.994 20 10 FFCDHM COC(=O)C[C@H](C)CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144381180 998442428 /nfs/dbraw/zinc/44/24/28/998442428.db2.gz JGHZAJYXEIIIDW-SNVBAGLBSA-N -1 3 350.802 2.799 20 10 FFCDHM C[C@@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)N1[C@H](C)CC[C@@H]1C ZINC001594300725 999161497 /nfs/dbraw/zinc/16/14/97/999161497.db2.gz WHMCQAPWKBAUCH-XQQFMLRXSA-N -1 3 368.861 2.720 20 10 FFCDHM O=C(Cc1ccc(Br)cc1O)NCc1c([O-])cccc1F ZINC001156170776 999986691 /nfs/dbraw/zinc/98/66/91/999986691.db2.gz UKNPYYDLOLDVDE-UHFFFAOYSA-N -1 3 354.175 2.858 20 10 FFCDHM CCc1ncncc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771059370 1000992210 /nfs/dbraw/zinc/99/22/10/1000992210.db2.gz PNNWGTXPWLVVNF-OAHLLOKOSA-N -1 3 374.872 2.792 20 10 FFCDHM C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148212078 1001068141 /nfs/dbraw/zinc/06/81/41/1001068141.db2.gz LAFITHYGFCUWFW-CHWSQXEVSA-N -1 3 364.442 2.863 20 10 FFCDHM O=C(Nc1cc(Br)cc2n[nH]cc21)c1cc(O)c([O-])c(O)c1 ZINC001148586385 1001175544 /nfs/dbraw/zinc/17/55/44/1001175544.db2.gz MRLNOXNZVIPOQL-UHFFFAOYSA-N -1 3 364.155 2.695 20 10 FFCDHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276190980 1016500484 /nfs/dbraw/zinc/50/04/84/1016500484.db2.gz AQRUHLJGKLGMRO-KRWDZBQOSA-N -1 3 360.351 2.893 20 10 FFCDHM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000789959668 1002237164 /nfs/dbraw/zinc/23/71/64/1002237164.db2.gz WTJAMUBEJNQXEV-UHFFFAOYSA-N -1 3 362.376 2.770 20 10 FFCDHM O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1cccc(O)c1[O-] ZINC000790527390 1002406288 /nfs/dbraw/zinc/40/62/88/1002406288.db2.gz CIWWXWAWBUJFND-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cccc(O)c1[O-] ZINC000790932515 1002514461 /nfs/dbraw/zinc/51/44/61/1002514461.db2.gz ZPBUPCFDNBDJNI-WMLDXEAASA-N -1 3 369.417 2.879 20 10 FFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000790904973 1002516273 /nfs/dbraw/zinc/51/62/73/1002516273.db2.gz NAVNFLZHRWRXRD-FUHWJXTLSA-N -1 3 366.421 2.796 20 10 FFCDHM COc1cccc(N2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CC2)c1 ZINC000774821981 1002809203 /nfs/dbraw/zinc/80/92/03/1002809203.db2.gz KAFICSRILCFLMB-UHFFFAOYSA-N -1 3 373.409 2.640 20 10 FFCDHM COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc(OC)n1 ZINC001192423972 1004155841 /nfs/dbraw/zinc/15/58/41/1004155841.db2.gz ZLEPKYJNYMJDAC-UHFFFAOYSA-N -1 3 373.796 2.936 20 10 FFCDHM CCOC(=O)[C@H]1c2ccoc2CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000859521558 1008541708 /nfs/dbraw/zinc/54/17/08/1008541708.db2.gz GSIRIIVJYNKZDN-QGZVFWFLSA-N -1 3 361.369 2.989 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(c2ncccn2)CC1 ZINC001178353244 1008954097 /nfs/dbraw/zinc/95/40/97/1008954097.db2.gz XRNBPNHXLFKIAV-UHFFFAOYSA-N -1 3 354.797 2.732 20 10 FFCDHM COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])Cc2ccccc21 ZINC000862537703 1009872382 /nfs/dbraw/zinc/87/23/82/1009872382.db2.gz FMDJHEQGUSKBSB-HNNXBMFYSA-N -1 3 372.377 2.581 20 10 FFCDHM CC(C)CN1C[C@@]2(F)CN(Cc3cc(Cl)ccc3[O-])C[C@@]2(F)C1=O ZINC001275255191 1012149302 /nfs/dbraw/zinc/14/93/02/1012149302.db2.gz ZRHXPZMZZHGZSI-DLBZAZTESA-N -1 3 358.816 2.776 20 10 FFCDHM C[C@@H]1CC[C@H](NCC(=O)c2ccc([O-])c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070498 1012238688 /nfs/dbraw/zinc/23/86/88/1012238688.db2.gz XRPGNKRULMOVHG-OCCSQVGLSA-N -1 3 364.442 2.658 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708300 1019083485 /nfs/dbraw/zinc/08/34/85/1019083485.db2.gz FKIDBFFABSOPDF-AVCJSFLBSA-N -1 3 364.417 2.841 20 10 FFCDHM CC[C@H](C)N1CC2(CN(Cc3ccc(C(F)(F)F)cc3[O-])C2)OCC1=O ZINC001276765641 1032917633 /nfs/dbraw/zinc/91/76/33/1032917633.db2.gz ZOOFJBHBGNOYGY-LBPRGKRZSA-N -1 3 372.387 2.623 20 10 FFCDHM Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c1 ZINC000779019386 1022656850 /nfs/dbraw/zinc/65/68/50/1022656850.db2.gz KZUCQPKIAONAIX-MRXNPFEDSA-N -1 3 372.440 2.951 20 10 FFCDHM CN(C)C(=O)COC1CN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000751944166 1022989655 /nfs/dbraw/zinc/98/96/55/1022989655.db2.gz ARRYVHQSDYWVSP-UHFFFAOYSA-N -1 3 354.406 2.581 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CC[C@H](C)[NH2+]C3)c1C2=O ZINC001218398776 1033138069 /nfs/dbraw/zinc/13/80/69/1033138069.db2.gz NFTYXNVXSPSERQ-WCQYABFASA-N -1 3 367.401 2.701 20 10 FFCDHM C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713631 1023749127 /nfs/dbraw/zinc/74/91/27/1023749127.db2.gz XDYLDNMBXDHOTH-XHDPSFHLSA-N -1 3 359.357 2.896 20 10 FFCDHM [O-]c1cccc(F)c1CN1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001137841764 1033187879 /nfs/dbraw/zinc/18/78/79/1033187879.db2.gz UDWVDMJPORMCQM-SNVBAGLBSA-N -1 3 357.307 2.993 20 10 FFCDHM CN1CCN(c2ccc(CNc3nc[n-]c4nc(=S)sc3-4)cc2)CC1 ZINC001156657219 1029290669 /nfs/dbraw/zinc/29/06/69/1029290669.db2.gz HWNVRKOYXPREHY-UHFFFAOYSA-N -1 3 372.523 2.739 20 10 FFCDHM NC(=O)c1ncc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157724397 1029652017 /nfs/dbraw/zinc/65/20/17/1029652017.db2.gz OCISVSFILPNDBN-UHFFFAOYSA-N -1 3 364.192 2.748 20 10 FFCDHM CNC(=O)[C@@H]1CC12CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001276881210 1033395573 /nfs/dbraw/zinc/39/55/73/1033395573.db2.gz KWPMTMTZCOBFAT-LBPRGKRZSA-N -1 3 371.250 2.642 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001138123998 1033801557 /nfs/dbraw/zinc/80/15/57/1033801557.db2.gz VHSRXDPQJAHVAI-FQEVSTJZSA-N -1 3 357.429 2.798 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968048 1033866356 /nfs/dbraw/zinc/86/63/56/1033866356.db2.gz XKHPPFVJJGVXTR-KZULUSFZSA-N -1 3 370.852 2.787 20 10 FFCDHM Cn1ccnc1[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1F ZINC001220802467 1034406798 /nfs/dbraw/zinc/40/67/98/1034406798.db2.gz SBBXLFVABRWSSB-KRWDZBQOSA-N -1 3 372.375 2.993 20 10 FFCDHM CCN(CC)c1ccnc([C@H]2COCCN2Cc2cc(F)ccc2[O-])n1 ZINC001140055864 1035324930 /nfs/dbraw/zinc/32/49/30/1035324930.db2.gz YNAUWFOEZFUGEA-MRXNPFEDSA-N -1 3 360.433 2.741 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001140340529 1035444534 /nfs/dbraw/zinc/44/45/34/1035444534.db2.gz XYWJMLCIFMRRLF-CQSZACIVSA-N -1 3 357.845 2.771 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461392 1035484238 /nfs/dbraw/zinc/48/42/38/1035484238.db2.gz KTSDNMNKSTYIGF-KBPBESRZSA-N -1 3 356.850 2.506 20 10 FFCDHM CCOCc1ncn2c1CN(Cc1cc(Cl)c([O-])cc1O)CCC2 ZINC001232259592 1035531609 /nfs/dbraw/zinc/53/16/09/1035531609.db2.gz GATRCUFPDONYAX-UHFFFAOYSA-N -1 3 351.834 2.890 20 10 FFCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1Cl ZINC001232269747 1035540403 /nfs/dbraw/zinc/54/04/03/1035540403.db2.gz JNYYHOPBHQCENV-UHFFFAOYSA-N -1 3 370.833 2.634 20 10 FFCDHM CC[C@@H](C)N1CC2(CN(Cc3cc(Cl)c(C)cc3[O-])C2)OCC1=O ZINC001277214306 1035581776 /nfs/dbraw/zinc/58/17/76/1035581776.db2.gz RMLACZYKZLAQJA-CYBMUJFWSA-N -1 3 352.862 2.566 20 10 FFCDHM O=c1ccc2c(n1CC1CC1)CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581191 1035662178 /nfs/dbraw/zinc/66/21/78/1035662178.db2.gz RQGXVMBTUPGPQL-UHFFFAOYSA-N -1 3 360.404 2.843 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277232705 1035681276 /nfs/dbraw/zinc/68/12/76/1035681276.db2.gz XNKQDVKOEHETRS-SCLBCKFNSA-N -1 3 352.862 2.647 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCC[C@@]2(CCO2)C1 ZINC001232980206 1036215416 /nfs/dbraw/zinc/21/54/16/1036215416.db2.gz NNAXDXIBGGCTKP-CQSZACIVSA-N -1 3 359.207 2.752 20 10 FFCDHM COc1cc([O-])c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1Br ZINC001233137679 1036385640 /nfs/dbraw/zinc/38/56/40/1036385640.db2.gz QGSUWKQVUAMZCX-RNCFNFMXSA-N -1 3 364.186 2.629 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](O)[C@@H](C)C2)c1 ZINC001233306462 1036512757 /nfs/dbraw/zinc/51/27/57/1036512757.db2.gz REFDYFHXZXSKPJ-HZMBPMFUSA-N -1 3 372.259 2.534 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233331635 1036538415 /nfs/dbraw/zinc/53/84/15/1036538415.db2.gz DXXRTLINDDIEJI-CNDDSTCGSA-N -1 3 354.397 2.873 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CCc2ncnc(N3CCCC3)c2CC1 ZINC001233333179 1036538905 /nfs/dbraw/zinc/53/89/05/1036538905.db2.gz MJAFJUCNBVRLTI-UHFFFAOYSA-N -1 3 360.408 2.661 20 10 FFCDHM COC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2ncn(C)c21 ZINC001233452660 1036634926 /nfs/dbraw/zinc/63/49/26/1036634926.db2.gz GCXNXVIGKRQZKM-LBPRGKRZSA-N -1 3 355.360 2.890 20 10 FFCDHM COc1c(O[C@@H]2CCOC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127059 1036932740 /nfs/dbraw/zinc/93/27/40/1036932740.db2.gz NWJPDOZFOIOQFL-LLVKDONJSA-N -1 3 354.358 2.652 20 10 FFCDHM CC[C@@H](CC(=O)OC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748892 1037164017 /nfs/dbraw/zinc/16/40/17/1037164017.db2.gz NEEPRWJZFWQZGX-JTQLQIEISA-N -1 3 374.345 2.784 20 10 FFCDHM CC(C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC001230412433 1037275396 /nfs/dbraw/zinc/27/53/96/1037275396.db2.gz QVJAIQHRMVOOLG-GFCCVEGCSA-N -1 3 354.422 2.944 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c([O-])c1 ZINC001231451552 1037592547 /nfs/dbraw/zinc/59/25/47/1037592547.db2.gz NWDFOCBQYSRYRH-GOSISDBHSA-N -1 3 366.417 2.544 20 10 FFCDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454011 1037594265 /nfs/dbraw/zinc/59/42/65/1037594265.db2.gz SKYLOPYGRLRBEA-IUODEOHRSA-N -1 3 364.442 2.826 20 10 FFCDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454011 1037594272 /nfs/dbraw/zinc/59/42/72/1037594272.db2.gz SKYLOPYGRLRBEA-IUODEOHRSA-N -1 3 364.442 2.826 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455295 1037597132 /nfs/dbraw/zinc/59/71/32/1037597132.db2.gz MRBOXSSKCCAWPD-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455295 1037597139 /nfs/dbraw/zinc/59/71/39/1037597139.db2.gz MRBOXSSKCCAWPD-HNNXBMFYSA-N -1 3 364.442 2.970 20 10 FFCDHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455639 1037597561 /nfs/dbraw/zinc/59/75/61/1037597561.db2.gz SKYLOPYGRLRBEA-SWLSCSKDSA-N -1 3 364.442 2.826 20 10 FFCDHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455639 1037597570 /nfs/dbraw/zinc/59/75/70/1037597570.db2.gz SKYLOPYGRLRBEA-SWLSCSKDSA-N -1 3 364.442 2.826 20 10 FFCDHM COc1ccc(CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@H](C)O)cc1 ZINC001231559978 1037682179 /nfs/dbraw/zinc/68/21/79/1037682179.db2.gz LUFGQEBYUAUPBM-AWEZNQCLSA-N -1 3 359.422 2.525 20 10 FFCDHM COc1ccc(CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@H](C)O)cc1 ZINC001231559978 1037682185 /nfs/dbraw/zinc/68/21/85/1037682185.db2.gz LUFGQEBYUAUPBM-AWEZNQCLSA-N -1 3 359.422 2.525 20 10 FFCDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231560273 1037684522 /nfs/dbraw/zinc/68/45/22/1037684522.db2.gz DXKBEJPNXSNPHF-ZDUSSCGKSA-N -1 3 364.442 2.922 20 10 FFCDHM CCOc1cccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)c1 ZINC001231566047 1037690155 /nfs/dbraw/zinc/69/01/55/1037690155.db2.gz OLARIQQOYXDQBO-UHFFFAOYSA-N -1 3 356.422 2.811 20 10 FFCDHM Cc1cc([O-])c(CN2CCn3c(Cn4cccn4)cnc3C2)cc1Cl ZINC001231867366 1037964314 /nfs/dbraw/zinc/96/43/14/1037964314.db2.gz MHGSOTTUSUIJMF-UHFFFAOYSA-N -1 3 357.845 2.811 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1)C1CCOCC1 ZINC001237125346 1038450943 /nfs/dbraw/zinc/45/09/43/1038450943.db2.gz CTDJKYHETWJKJR-CYBMUJFWSA-N -1 3 370.852 2.692 20 10 FFCDHM CC[C@H](C)N1CCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)C1=O ZINC001276605407 1038618064 /nfs/dbraw/zinc/61/80/64/1038618064.db2.gz HTQREDAWDYRHTG-AWEZNQCLSA-N -1 3 360.454 2.703 20 10 FFCDHM Cc1ccccc1-c1nc(CNC(=O)NCc2c([O-])cccc2F)no1 ZINC001251277173 1039046009 /nfs/dbraw/zinc/04/60/09/1039046009.db2.gz GEPJGEHRJSKRLM-UHFFFAOYSA-N -1 3 356.357 2.889 20 10 FFCDHM COc1cccc(-c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)c1 ZINC001253356487 1040129250 /nfs/dbraw/zinc/12/92/50/1040129250.db2.gz LXNNUHSOVUMCNU-UHFFFAOYSA-N -1 3 367.405 2.950 20 10 FFCDHM Cc1cc(CN2C[C@@H](CO)CC(F)(F)C2)c([O-])cc1Br ZINC001250120906 1041122218 /nfs/dbraw/zinc/12/22/18/1041122218.db2.gz UNMJYMVFICRGGB-JTQLQIEISA-N -1 3 350.203 2.913 20 10 FFCDHM O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001278568606 1041202885 /nfs/dbraw/zinc/20/28/85/1041202885.db2.gz BVUXWWAQAGYIKO-TXEJJXNPSA-N -1 3 363.767 2.576 20 10 FFCDHM COc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc(OC)c1OC ZINC001215325158 1041738792 /nfs/dbraw/zinc/73/87/92/1041738792.db2.gz DUULTDSPHFGXOH-UHFFFAOYSA-N -1 3 360.322 2.546 20 10 FFCDHM [O-]c1cccc(F)c1CN1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001279421475 1043094203 /nfs/dbraw/zinc/09/42/03/1043094203.db2.gz ITAAOLOKOXEXHS-BETUJISGSA-N -1 3 362.367 2.759 20 10 FFCDHM C[C@@H]1CCCN(Cc2cccc(I)c2[O-])[C@H]1CO ZINC001237775173 1043350571 /nfs/dbraw/zinc/35/05/71/1043350571.db2.gz DKLRMDGPOOBBET-MFKMUULPSA-N -1 3 361.223 2.590 20 10 FFCDHM CCCO[C@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237780688 1043353627 /nfs/dbraw/zinc/35/36/27/1043353627.db2.gz VLPBYQYOYKEPEO-LBPRGKRZSA-N -1 3 361.223 2.998 20 10 FFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(CN(CCn3ccnc3)C2)C1 ZINC001279665492 1043430259 /nfs/dbraw/zinc/43/02/59/1043430259.db2.gz OUEVHESCHLXFFZ-UHFFFAOYSA-N -1 3 367.280 2.713 20 10 FFCDHM COc1cc(C)nc(O[C@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941447 1043446660 /nfs/dbraw/zinc/44/66/60/1043446660.db2.gz WBFPIGQGPKKWMX-LBPRGKRZSA-N -1 3 367.808 2.945 20 10 FFCDHM C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1Cc1cc(Cl)ccc1[O-] ZINC001279983999 1044035337 /nfs/dbraw/zinc/03/53/37/1044035337.db2.gz YFSJEUMNPLLJQA-ZDUSSCGKSA-N -1 3 372.856 2.831 20 10 FFCDHM CN(C)c1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001290253178 1047955681 /nfs/dbraw/zinc/95/56/81/1047955681.db2.gz RGWIIPWHHLFNJI-UHFFFAOYSA-N -1 3 357.360 2.802 20 10 FFCDHM O=[N+]([O-])c1cc(CNC2(c3nn[n-]n3)CCCC2)ccc1N1CCCCC1 ZINC000735407773 1048542954 /nfs/dbraw/zinc/54/29/54/1048542954.db2.gz PCBLKDYBMQTAJE-UHFFFAOYSA-N -1 3 371.445 2.657 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)c1cccc(F)c1 ZINC001340930526 1051260613 /nfs/dbraw/zinc/26/06/13/1051260613.db2.gz SFAPOEASQNTTGZ-KRWDZBQOSA-N -1 3 367.804 2.893 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)[nH]c(=O)n2CC1CC1 ZINC001303875591 1051464224 /nfs/dbraw/zinc/46/42/24/1051464224.db2.gz LJZBSAYGWBKSOL-UHFFFAOYSA-N -1 3 355.369 2.927 20 10 FFCDHM O=C(COc1ccc(Br)cc1)NCc1c([O-])cccc1F ZINC001303877772 1051465141 /nfs/dbraw/zinc/46/51/41/1051465141.db2.gz GQHVAIBSIAKNLK-UHFFFAOYSA-N -1 3 354.175 2.989 20 10 FFCDHM CN(C)c1ncc(Br)cc1C(=O)NCc1c([O-])cccc1F ZINC001303877791 1051465352 /nfs/dbraw/zinc/46/53/52/1051465352.db2.gz HIVJYBCNNWXXQV-UHFFFAOYSA-N -1 3 368.206 2.685 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])C(C)(C)C1 ZINC001543494279 1071487286 /nfs/dbraw/zinc/48/72/86/1071487286.db2.gz HFEWCDIXYRTGCM-UHFFFAOYSA-N -1 3 350.415 2.569 20 10 FFCDHM COCC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001338588233 1055648089 /nfs/dbraw/zinc/64/80/89/1055648089.db2.gz JXGXAVYQGOAGSG-UHFFFAOYSA-N -1 3 359.455 2.660 20 10 FFCDHM COc1c([O-])c(CN2CCc3cccc(NC(C)=O)c3C2)ccc1[N+](=O)[O-] ZINC001462507890 1061650834 /nfs/dbraw/zinc/65/08/34/1061650834.db2.gz WEPVAHPPIBMPNM-UHFFFAOYSA-N -1 3 371.393 2.826 20 10 FFCDHM [O-]c1cccc(Br)c1CNCc1cnc(Br)cn1 ZINC001462511545 1061654046 /nfs/dbraw/zinc/65/40/46/1061654046.db2.gz XQDPYMNVOLMHSA-UHFFFAOYSA-N -1 3 373.048 2.997 20 10 FFCDHM Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C)n1-c1ccc(F)cc1 ZINC001465650987 1063168323 /nfs/dbraw/zinc/16/83/23/1063168323.db2.gz ZHRQLOIIGPFNGS-UHFFFAOYSA-N -1 3 356.357 2.995 20 10 FFCDHM N[C@@](C(=O)NCc1c([O-])cccc1F)(c1cccc(F)c1)C(F)(F)F ZINC001472622806 1065114224 /nfs/dbraw/zinc/11/42/24/1065114224.db2.gz PCKSXRARQFMYOQ-OAHLLOKOSA-N -1 3 360.282 2.703 20 10 FFCDHM Cc1cc(C(=O)NCCCSc2nccs2)cc(C)c1-c1nnn[n-]1 ZINC001580865857 1078879179 /nfs/dbraw/zinc/87/91/79/1078879179.db2.gz XMSJUTAYOZCYQS-UHFFFAOYSA-N -1 3 374.495 2.852 20 10 FFCDHM Cc1cc(C(=O)NCCCSc2nccs2)cc(C)c1-c1nn[n-]n1 ZINC001580865857 1078879184 /nfs/dbraw/zinc/87/91/84/1078879184.db2.gz XMSJUTAYOZCYQS-UHFFFAOYSA-N -1 3 374.495 2.852 20 10 FFCDHM O=C(CNC(=O)Cc1cccc2ccccc21)NCc1c([O-])cccc1F ZINC001558456132 1076010075 /nfs/dbraw/zinc/01/00/75/1076010075.db2.gz UARHYUSUQSKXPS-UHFFFAOYSA-N -1 3 366.392 2.660 20 10 FFCDHM NS(=O)(=O)c1cc2c(s1)CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC001560939881 1076312103 /nfs/dbraw/zinc/31/21/03/1076312103.db2.gz UZAWXENQKLBWAW-UHFFFAOYSA-N -1 3 374.487 2.813 20 10 FFCDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001588908438 1080256599 /nfs/dbraw/zinc/25/65/99/1080256599.db2.gz SLEYCNBFEMFABN-UHFFFAOYSA-N -1 3 354.389 2.887 20 10 FFCDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001588908438 1080256610 /nfs/dbraw/zinc/25/66/10/1080256610.db2.gz SLEYCNBFEMFABN-UHFFFAOYSA-N -1 3 354.389 2.887 20 10 FFCDHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccc(N(C)C)cc1 ZINC001589935814 1080879244 /nfs/dbraw/zinc/87/92/44/1080879244.db2.gz MKTIHLYUYBHQTI-LLVKDONJSA-N -1 3 371.470 2.555 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000369330265 512353509 /nfs/dbraw/zinc/35/35/09/512353509.db2.gz RHTCIZKUVXGCNR-SFHVURJKSA-N -1 3 364.467 2.726 20 10 FFCDHM COC(=O)CN(Cc1ncc(Cl)n1C)Cc1cc(Cl)ccc1[O-] ZINC000111238283 508081198 /nfs/dbraw/zinc/08/11/98/508081198.db2.gz HTBVZBAQCSBFEF-UHFFFAOYSA-N -1 3 358.225 2.608 20 10 FFCDHM Cn1cc(C[C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000093870114 508157627 /nfs/dbraw/zinc/15/76/27/508157627.db2.gz VUGXXNUYTSVZEC-NSHDSACASA-N -1 3 350.806 2.752 20 10 FFCDHM CCCN(C)S(=O)(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000123902479 508755907 /nfs/dbraw/zinc/75/59/07/508755907.db2.gz SEFKLONUOHKFRM-UHFFFAOYSA-N -1 3 365.293 2.563 20 10 FFCDHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cc(Br)ccc1[O-] ZINC000186029512 509489811 /nfs/dbraw/zinc/48/98/11/509489811.db2.gz KLTHZWPEZMNBHV-VHSXEESVSA-N -1 3 350.278 2.629 20 10 FFCDHM [O-]c1ccccc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179555216 509508868 /nfs/dbraw/zinc/50/88/68/509508868.db2.gz AXFQUANQXYIAKB-UHFFFAOYSA-N -1 3 356.451 2.822 20 10 FFCDHM CCS[C@@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000264927723 509779750 /nfs/dbraw/zinc/77/97/50/509779750.db2.gz NZECHMAXXPGHKN-CYBMUJFWSA-N -1 3 372.512 2.512 20 10 FFCDHM COc1cc(Br)cc(CN2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000180453005 509930904 /nfs/dbraw/zinc/93/09/04/509930904.db2.gz UEEDQTPQSICGEH-JSGCOSHPSA-N -1 3 374.300 2.870 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)Cc1ccsc1 ZINC000181590576 510488859 /nfs/dbraw/zinc/48/88/59/510488859.db2.gz YEKWXHSBAQTBPL-UHFFFAOYSA-N -1 3 353.827 2.851 20 10 FFCDHM COc1cc(Br)cc(CN2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000246894905 510732482 /nfs/dbraw/zinc/73/24/82/510732482.db2.gz UEEDQTPQSICGEH-TZMCWYRMSA-N -1 3 374.300 2.870 20 10 FFCDHM O=C1[C@@H](N(Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1CC(F)(F)F ZINC000247705148 510868940 /nfs/dbraw/zinc/86/89/40/510868940.db2.gz RUNUBPYZAVVBQB-GJZGRUSLSA-N -1 3 372.387 2.536 20 10 FFCDHM Cc1ncc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000278054475 510980817 /nfs/dbraw/zinc/98/08/17/510980817.db2.gz WQXOTNQBSFMQKI-UHFFFAOYSA-N -1 3 351.815 2.775 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000278128039 510982199 /nfs/dbraw/zinc/98/21/99/510982199.db2.gz NSOFYPRHYLUMMR-LZWOXQAQSA-N -1 3 364.829 2.767 20 10 FFCDHM COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1 ZINC000278259347 510986281 /nfs/dbraw/zinc/98/62/81/510986281.db2.gz QHYNDRGULMXOON-UHFFFAOYSA-N -1 3 362.382 2.958 20 10 FFCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000278273986 510986364 /nfs/dbraw/zinc/98/63/64/510986364.db2.gz HUOFJYXRJOSAHJ-NEPJUHHUSA-N -1 3 350.415 2.616 20 10 FFCDHM [O-]c1cccc(Cl)c1CNc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000278462631 510994273 /nfs/dbraw/zinc/99/42/73/510994273.db2.gz FJNJZDLLQGNGCH-UHFFFAOYSA-N -1 3 358.833 2.830 20 10 FFCDHM COc1c([O-])c(CNCc2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000278560018 510998456 /nfs/dbraw/zinc/99/84/56/510998456.db2.gz BDRMPYRZHOEJKK-UHFFFAOYSA-N -1 3 371.393 2.726 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(CCF)c1 ZINC000287854515 511059241 /nfs/dbraw/zinc/05/92/41/511059241.db2.gz CMCYWRSVQYQNMO-UHFFFAOYSA-N -1 3 370.222 2.983 20 10 FFCDHM [O-]c1ccc(Br)cc1CN(CCCO)Cc1ccccn1 ZINC000289421903 511100366 /nfs/dbraw/zinc/10/03/66/511100366.db2.gz JEPJIUDMQIASCH-UHFFFAOYSA-N -1 3 351.244 2.934 20 10 FFCDHM COCCCn1nccc1CNCc1cccc(Br)c1[O-] ZINC000282809190 511119739 /nfs/dbraw/zinc/11/97/39/511119739.db2.gz OCLSPRDWBDAOOY-UHFFFAOYSA-N -1 3 354.248 2.678 20 10 FFCDHM CC(C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000271296518 511153333 /nfs/dbraw/zinc/15/33/33/511153333.db2.gz QDXXAEJPFUFCPL-UHFFFAOYSA-N -1 3 354.472 2.805 20 10 FFCDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295263419 511342664 /nfs/dbraw/zinc/34/26/64/511342664.db2.gz HSZGKLSKNRHGJY-LBPRGKRZSA-N -1 3 359.401 2.587 20 10 FFCDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295263408 511342712 /nfs/dbraw/zinc/34/27/12/511342712.db2.gz HSZGKLSKNRHGJY-GFCCVEGCSA-N -1 3 359.401 2.587 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1O ZINC000272832662 511508987 /nfs/dbraw/zinc/50/89/87/511508987.db2.gz QAZAYDBYMSPSMN-LBPRGKRZSA-N -1 3 356.378 2.854 20 10 FFCDHM COc1c([O-])c(CN2CCC(n3cc(Cl)cn3)CC2)ccc1[N+](=O)[O-] ZINC000365798448 511658183 /nfs/dbraw/zinc/65/81/83/511658183.db2.gz UYUIMBMOKAKHEZ-UHFFFAOYSA-N -1 3 366.805 2.996 20 10 FFCDHM COc1ccc2c(c1)OCC[C@@H]2NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365806518 511662087 /nfs/dbraw/zinc/66/20/87/511662087.db2.gz OYOLXMGTOKLRTI-AWEZNQCLSA-N -1 3 360.366 2.931 20 10 FFCDHM COc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000366071924 511823220 /nfs/dbraw/zinc/82/32/20/511823220.db2.gz GKXKKDOGTPNGOO-UHFFFAOYSA-N -1 3 370.405 2.597 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@]3(CCCOC3)C2)c1[O-] ZINC000367660171 512604430 /nfs/dbraw/zinc/60/44/30/512604430.db2.gz YOVPSLVJHAZKIX-MRXNPFEDSA-N -1 3 372.259 2.545 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc3cccnc3c2[O-])nn1C1CCOCC1 ZINC000529501202 517182449 /nfs/dbraw/zinc/18/24/49/517182449.db2.gz LFCVUEMCUNBGKH-UHFFFAOYSA-N -1 3 366.421 2.727 20 10 FFCDHM [O-]c1c(Br)cccc1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000738397037 598466001 /nfs/dbraw/zinc/46/60/01/598466001.db2.gz MRKOIYQICDPURI-UHFFFAOYSA-N -1 3 360.215 2.625 20 10 FFCDHM CC[C@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880438 600219112 /nfs/dbraw/zinc/21/91/12/600219112.db2.gz WXVVRBXMRMWAIU-IFXJQAMLSA-N -1 3 362.470 2.752 20 10 FFCDHM CC[C@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880438 600219113 /nfs/dbraw/zinc/21/91/13/600219113.db2.gz WXVVRBXMRMWAIU-IFXJQAMLSA-N -1 3 362.470 2.752 20 10 FFCDHM C[C@H](N[C@@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471939 604359336 /nfs/dbraw/zinc/35/93/36/604359336.db2.gz DLFLMMFKOKNHFO-SJCJKPOMSA-N -1 3 367.877 2.873 20 10 FFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OCC)c1O ZINC000825632464 609477159 /nfs/dbraw/zinc/47/71/59/609477159.db2.gz SWJVHEGJGFBEIT-UHFFFAOYSA-N -1 3 355.398 2.982 20 10 FFCDHM Cc1cc(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)c(C)n1-c1ccccc1 ZINC000746140405 735465600 /nfs/dbraw/zinc/46/56/00/735465600.db2.gz WAJRLADIMCIGDK-UHFFFAOYSA-N -1 3 357.797 2.893 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)C(F)F)CC2)c1[O-] ZINC000079435474 728312920 /nfs/dbraw/zinc/31/29/20/728312920.db2.gz AQPAKVTYOXTPQG-UHFFFAOYSA-N -1 3 366.330 2.752 20 10 FFCDHM O=C1[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCCCC1 ZINC000131555183 728722556 /nfs/dbraw/zinc/72/25/56/728722556.db2.gz VVHDMHYAANDOOE-CQSZACIVSA-N -1 3 367.833 2.977 20 10 FFCDHM CCN(Cc1ccccc1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000135225912 728736547 /nfs/dbraw/zinc/73/65/47/728736547.db2.gz KSFPRKUTRLODRB-UHFFFAOYSA-N -1 3 362.451 2.734 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000191314907 729415798 /nfs/dbraw/zinc/41/57/98/729415798.db2.gz PIKHELHYSIZQFD-UHFFFAOYSA-N -1 3 360.435 2.571 20 10 FFCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@]2(CCCOC2)O1 ZINC000862352590 730690870 /nfs/dbraw/zinc/69/08/70/730690870.db2.gz FIYMMCRYFJEINZ-BLLLJJGKSA-N -1 3 356.260 2.925 20 10 FFCDHM Cn1c(-c2ccccc2)cnc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865348543 730944992 /nfs/dbraw/zinc/94/49/92/730944992.db2.gz UTJNGGFKTCQGIH-UHFFFAOYSA-N -1 3 354.435 2.948 20 10 FFCDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC000876753078 732276865 /nfs/dbraw/zinc/27/68/65/732276865.db2.gz IDJUTOYTICGQCL-NSHDSACASA-N -1 3 350.325 2.660 20 10 FFCDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781908414 738670554 /nfs/dbraw/zinc/67/05/54/738670554.db2.gz ISKNRTDUTLDHEG-NSHDSACASA-N -1 3 364.305 2.718 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2c([O-])cccc2F)c1 ZINC000886520592 733799976 /nfs/dbraw/zinc/79/99/76/733799976.db2.gz ICVTVZLYRPUORD-NWDGAFQWSA-N -1 3 352.431 2.851 20 10 FFCDHM COC(=O)CN(Cc1occc1C(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000731844922 734700402 /nfs/dbraw/zinc/70/04/02/734700402.db2.gz LAEHLVJZOKZKFD-UHFFFAOYSA-N -1 3 367.785 2.600 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2nnc(-c3nccn3C)o2)c1 ZINC000788451448 739245838 /nfs/dbraw/zinc/24/58/38/739245838.db2.gz FUSLVTULBUVFRR-UHFFFAOYSA-N -1 3 364.203 2.859 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(F)cn1 ZINC000752597056 736000686 /nfs/dbraw/zinc/00/06/86/736000686.db2.gz UAHSXGVYNIWOKP-HNNXBMFYSA-N -1 3 363.820 2.974 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000769639689 737548703 /nfs/dbraw/zinc/54/87/03/737548703.db2.gz TXCFBPXSWSFYEC-HZSPNIEDSA-N -1 3 366.483 2.852 20 10 FFCDHM COc1cccc2c1O[C@H](c1cc(O)cc(Br)c1[O-])NC2=O ZINC000917500689 737761380 /nfs/dbraw/zinc/76/13/80/737761380.db2.gz FXCZDFWJEIBFHH-OAHLLOKOSA-N -1 3 366.167 2.690 20 10 FFCDHM COc1c([O-])c(CNCc2cn3cc(Cl)ccc3n2)ccc1[N+](=O)[O-] ZINC000774966198 738045872 /nfs/dbraw/zinc/04/58/72/738045872.db2.gz XEUUTCANGPRXKF-UHFFFAOYSA-N -1 3 362.773 2.900 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ncc(Br)cn2)c1[O-] ZINC000931869824 739344652 /nfs/dbraw/zinc/34/46/52/739344652.db2.gz UJZKKGJTXGQPGS-UHFFFAOYSA-N -1 3 368.206 2.918 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@]3(C)COC(=O)N3)CC2)c1[O-] ZINC000932093522 739385431 /nfs/dbraw/zinc/38/54/31/739385431.db2.gz LRTQMLFDECNAAT-SFHVURJKSA-N -1 3 366.845 2.959 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000790415447 739450963 /nfs/dbraw/zinc/45/09/63/739450963.db2.gz FYXPIGGTYKZKIB-UHFFFAOYSA-N -1 3 364.423 2.722 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790576073 739470975 /nfs/dbraw/zinc/47/09/75/739470975.db2.gz INABZNISWUXMLI-GFCCVEGCSA-N -1 3 350.415 2.617 20 10 FFCDHM CCNC(=O)COc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790949100 739517928 /nfs/dbraw/zinc/51/79/28/739517928.db2.gz QOWVUVDYIDDCSS-UHFFFAOYSA-N -1 3 366.820 2.989 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(CCO)Cc2cccnc2Cl)c1[O-] ZINC000796561506 740154659 /nfs/dbraw/zinc/15/46/59/740154659.db2.gz NAPMZOXAJGAFRW-UHFFFAOYSA-N -1 3 352.793 2.777 20 10 FFCDHM CCOC(=O)[C@@]1(COC)CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798963600 740377870 /nfs/dbraw/zinc/37/78/70/740377870.db2.gz HVTLREPMCBQBPH-KRWDZBQOSA-N -1 3 359.825 2.976 20 10 FFCDHM COC(=O)c1conc1C(C)(C)NCc1cc(Br)ccc1[O-] ZINC000822534712 742749455 /nfs/dbraw/zinc/74/94/55/742749455.db2.gz UPSZRLHCMLLSMO-UHFFFAOYSA-N -1 3 369.215 2.954 20 10 FFCDHM O=C(c1ccco1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824490363 743090849 /nfs/dbraw/zinc/09/08/49/743090849.db2.gz HGNSBXZPMSBAMO-UHFFFAOYSA-N -1 3 365.227 2.706 20 10 FFCDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(Br)cc1[O-] ZINC000824938126 743181923 /nfs/dbraw/zinc/18/19/23/743181923.db2.gz GASJIHHOOAPDMT-CYBMUJFWSA-N -1 3 360.248 2.553 20 10 FFCDHM Cc1nccnc1N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825773790 743325717 /nfs/dbraw/zinc/32/57/17/743325717.db2.gz PMFMLQWCZJODBV-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000852698990 749928310 /nfs/dbraw/zinc/92/83/10/749928310.db2.gz WEPDTGAIRJTQGE-ZDUSSCGKSA-N -1 3 352.862 2.985 20 10 FFCDHM CC[C@H]([NH2+][C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1[O-] ZINC001589568985 948895030 /nfs/dbraw/zinc/89/50/30/948895030.db2.gz STCVQUJVCRSXFV-JENIJYKNSA-N -1 3 368.433 2.860 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)c1[O-] ZINC000175737117 959370307 /nfs/dbraw/zinc/37/03/07/959370307.db2.gz KFCCSWZECAHNCP-UHFFFAOYSA-N -1 3 374.387 2.717 20 10 FFCDHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275957164 1013233347 /nfs/dbraw/zinc/23/33/47/1013233347.db2.gz PCVFXGXWRAGRLA-KRWDZBQOSA-N -1 3 360.351 2.893 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c([O-])c(F)c2)N(C)C)cc1 ZINC000891249121 962592895 /nfs/dbraw/zinc/59/28/95/962592895.db2.gz QDWBJLKTYRCIFN-QGZVFWFLSA-N -1 3 363.408 2.769 20 10 FFCDHM O=C1N(CC2CCOCC2)CC[C@@]12CCCN2Cc1cccc(F)c1[O-] ZINC001276086729 1013428238 /nfs/dbraw/zinc/42/82/38/1013428238.db2.gz SYRBTBZELJBOCC-FQEVSTJZSA-N -1 3 362.445 2.525 20 10 FFCDHM Cc1cc([O-])c(CN2CC[C@@](N)(C(F)(F)F)C2)cc1Br ZINC001206251362 1013547096 /nfs/dbraw/zinc/54/70/96/1013547096.db2.gz ORWLJBZSNJBZJN-LBPRGKRZSA-N -1 3 353.182 2.929 20 10 FFCDHM CC1(C)CCC[C@@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001167622441 967007984 /nfs/dbraw/zinc/00/79/84/967007984.db2.gz JIZGIGRRJAVCCZ-GFCCVEGCSA-N -1 3 354.472 2.710 20 10 FFCDHM COC(=O)CN(Cc1cnc2c(cnn2C)c1)Cc1cc(Cl)ccc1[O-] ZINC000876716340 1014360582 /nfs/dbraw/zinc/36/05/82/1014360582.db2.gz YSBQSFDVOSTFRS-UHFFFAOYSA-N -1 3 374.828 2.503 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCc3nnn(C4CC(C)C4)c3C2)c1[O-] ZINC000879329745 1015481861 /nfs/dbraw/zinc/48/18/61/1015481861.db2.gz HDFJRPBXZBYJDI-UHFFFAOYSA-N -1 3 358.417 2.855 20 10 FFCDHM CN1CC(=O)Nc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nc21 ZINC001168521809 990000231 /nfs/dbraw/zinc/00/02/31/990000231.db2.gz LFNOZEMLQQSPDK-UHFFFAOYSA-N -1 3 369.812 2.989 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1[O-] ZINC000810036402 994683772 /nfs/dbraw/zinc/68/37/72/994683772.db2.gz DPQIGCFJZDRETK-MRXNPFEDSA-N -1 3 364.417 2.977 20 10 FFCDHM C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593303339 994733294 /nfs/dbraw/zinc/73/32/94/994733294.db2.gz BNMFSWBWFCOUMA-CQSZACIVSA-N -1 3 356.422 2.778 20 10 FFCDHM O=C1OCCN1C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306426 998301309 /nfs/dbraw/zinc/30/13/09/998301309.db2.gz BGUCTXIQDNJCPY-UHFFFAOYSA-N -1 3 373.222 2.710 20 10 FFCDHM COc1ccc(CNCc2ccccc2CC(=O)[O-])cc1Cn1cccn1 ZINC001599572854 998393007 /nfs/dbraw/zinc/39/30/07/998393007.db2.gz KVZIRAZDFKIFPV-UHFFFAOYSA-N -1 3 365.433 2.857 20 10 FFCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743718819 999830349 /nfs/dbraw/zinc/83/03/49/999830349.db2.gz SFXSWLBUBAVEFI-UHFFFAOYSA-N -1 3 354.406 2.865 20 10 FFCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)nn1 ZINC000767796296 1000146163 /nfs/dbraw/zinc/14/61/63/1000146163.db2.gz ROKZEHGMXIGUGZ-INIZCTEOSA-N -1 3 374.872 2.847 20 10 FFCDHM COc1ccc(N(C)CCN(C)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000846441916 1000313372 /nfs/dbraw/zinc/31/33/72/1000313372.db2.gz FZVSQLFXQNQQFW-UHFFFAOYSA-N -1 3 371.437 2.568 20 10 FFCDHM O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000846473922 1000324237 /nfs/dbraw/zinc/32/42/37/1000324237.db2.gz OKWUYUQMMBMFJE-HNNXBMFYSA-N -1 3 374.824 2.672 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(Cc3ccccc3)CCC2)c1 ZINC000769998297 1000650767 /nfs/dbraw/zinc/65/07/67/1000650767.db2.gz DVWROIRLZITAPK-UHFFFAOYSA-N -1 3 374.462 2.659 20 10 FFCDHM CCN1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2F)CC1 ZINC001148219411 1001070932 /nfs/dbraw/zinc/07/09/32/1001070932.db2.gz YJQJZIUCMMHEKS-UHFFFAOYSA-N -1 3 359.401 2.631 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001276192776 1016506784 /nfs/dbraw/zinc/50/67/84/1016506784.db2.gz SCWDUUQTSILJAY-YJYMSZOUSA-N -1 3 368.424 2.520 20 10 FFCDHM C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790200279 1002302741 /nfs/dbraw/zinc/30/27/41/1002302741.db2.gz CRXGEUDQWHOUDJ-LBPRGKRZSA-N -1 3 356.378 2.888 20 10 FFCDHM O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)c1cccc(O)c1[O-] ZINC000790616079 1002447550 /nfs/dbraw/zinc/44/75/50/1002447550.db2.gz XBYGJWQIDGPHAR-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790903999 1002516322 /nfs/dbraw/zinc/51/63/22/1002516322.db2.gz FFZURQGOHFNCFN-JSGCOSHPSA-N -1 3 364.442 2.863 20 10 FFCDHM COC(=O)c1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000775057891 1003465952 /nfs/dbraw/zinc/46/59/52/1003465952.db2.gz PUAXTZWNZICILE-UHFFFAOYSA-N -1 3 372.377 2.654 20 10 FFCDHM O=C1CCC(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001194817425 1004822873 /nfs/dbraw/zinc/82/28/73/1004822873.db2.gz LRZAKGAEDBMQDC-UHFFFAOYSA-N -1 3 368.842 2.525 20 10 FFCDHM CCOc1nccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001199641556 1004993994 /nfs/dbraw/zinc/99/39/94/1004993994.db2.gz MGOMDTQQSBVTGB-UHFFFAOYSA-N -1 3 358.785 2.713 20 10 FFCDHM CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn[n-]3)c2C)cc1 ZINC000805606674 1006905893 /nfs/dbraw/zinc/90/58/93/1006905893.db2.gz KERHXUPKJIWONK-UHFFFAOYSA-N -1 3 368.393 2.651 20 10 FFCDHM CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c[n-]nn3)c2C)cc1 ZINC000805606674 1006905906 /nfs/dbraw/zinc/90/59/06/1006905906.db2.gz KERHXUPKJIWONK-UHFFFAOYSA-N -1 3 368.393 2.651 20 10 FFCDHM COc1ccc(N2CCC(NC(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000822999730 1008861303 /nfs/dbraw/zinc/86/13/03/1008861303.db2.gz ORELPFSJETXCDZ-UHFFFAOYSA-N -1 3 358.413 2.868 20 10 FFCDHM CN(C)c1cc(F)c(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])cc1F ZINC000864512223 1010490134 /nfs/dbraw/zinc/49/01/34/1010490134.db2.gz COULXDNEDTZCNN-CQSZACIVSA-N -1 3 372.412 2.696 20 10 FFCDHM CCOc1ccccc1C(=O)NCCCC(=O)NCc1c([O-])cccc1F ZINC000928709597 1019083424 /nfs/dbraw/zinc/08/34/24/1019083424.db2.gz JVQGZWGUZYEGAL-UHFFFAOYSA-N -1 3 374.412 2.756 20 10 FFCDHM O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1c([O-])cccc1F ZINC000928709009 1019085115 /nfs/dbraw/zinc/08/51/15/1019085115.db2.gz VPNBWWCJPXWVNU-UHFFFAOYSA-N -1 3 370.380 2.695 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001121460531 1023790046 /nfs/dbraw/zinc/79/00/46/1023790046.db2.gz LUBZPVXVMWCTRX-GOSISDBHSA-N -1 3 371.466 2.804 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C3CCC3)cc2)c1 ZINC000757649348 1023842447 /nfs/dbraw/zinc/84/24/47/1023842447.db2.gz SCIHTSYIQVIZCO-UHFFFAOYSA-N -1 3 374.462 2.961 20 10 FFCDHM CC(C)(C)OC(=O)N1CCO[C@]2(CCN(Cc3c([O-])cccc3F)C2)C1 ZINC001137841760 1033187536 /nfs/dbraw/zinc/18/75/36/1033187536.db2.gz TUYPYGZEIUFMHV-IBGZPJMESA-N -1 3 366.433 2.743 20 10 FFCDHM CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000781813345 1029421137 /nfs/dbraw/zinc/42/11/37/1029421137.db2.gz KGKLLZRYNOVUHU-CQSZACIVSA-N -1 3 364.442 2.815 20 10 FFCDHM O=C1NCCN(Cc2c([O-])ccc3ccncc32)[C@H]1c1ccccc1F ZINC000784032812 1030431488 /nfs/dbraw/zinc/43/14/88/1030431488.db2.gz AKTSSOONSKAIQM-IBGZPJMESA-N -1 3 351.381 2.753 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001203659546 1030811722 /nfs/dbraw/zinc/81/17/22/1030811722.db2.gz WPPHDNQKABKMQM-UHFFFAOYSA-N -1 3 357.845 2.893 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC000830572236 1033688237 /nfs/dbraw/zinc/68/82/37/1033688237.db2.gz XVOCOTVSEFTDTE-ZIAGYGMSSA-N -1 3 362.426 2.712 20 10 FFCDHM COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(F)ccc1[O-] ZINC001140058203 1035326092 /nfs/dbraw/zinc/32/60/92/1035326092.db2.gz UDQROSSTGNXLEK-OAHLLOKOSA-N -1 3 354.422 2.599 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140337935 1035442892 /nfs/dbraw/zinc/44/28/92/1035442892.db2.gz NUBNPOGRIUNZIP-RYUDHWBXSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1c([O-])cccc1Cl)CCO2 ZINC001140337952 1035443026 /nfs/dbraw/zinc/44/30/26/1035443026.db2.gz OLHHXTJSBQYLSA-UHFFFAOYSA-N -1 3 368.861 2.867 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001140339314 1035443922 /nfs/dbraw/zinc/44/39/22/1035443922.db2.gz HURABGSGJIEJPT-LJQANCHMSA-N -1 3 374.872 2.707 20 10 FFCDHM CC(C)C(=O)N1CCC[C@]2(CN(Cc3ccc(Cl)cc3[O-])CCO2)C1 ZINC001140464968 1035485111 /nfs/dbraw/zinc/48/51/11/1035485111.db2.gz GGCHDZKRBOFEPR-IBGZPJMESA-N -1 3 366.889 2.895 20 10 FFCDHM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2ccc(Cl)cc2[O-])C1 ZINC001140464631 1035485271 /nfs/dbraw/zinc/48/52/71/1035485271.db2.gz YBCSXSBXIYKIJJ-GXTWGEPZSA-N -1 3 363.845 2.998 20 10 FFCDHM COc1cc(N2CCN(Cc3cc(Cl)c(OC)cc3[O-])CC2)ccn1 ZINC001232271660 1035540911 /nfs/dbraw/zinc/54/09/11/1035540911.db2.gz ZFGFFIPMAIOXON-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)cc1 ZINC001140585999 1035670819 /nfs/dbraw/zinc/67/08/19/1035670819.db2.gz ZBOONCAIUKJWJS-HNNXBMFYSA-N -1 3 362.376 2.813 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232677 1035681701 /nfs/dbraw/zinc/68/17/01/1035681701.db2.gz WXOGCUIWNBYXIU-AUUYWEPGSA-N -1 3 366.889 2.895 20 10 FFCDHM COCCN1CCC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CC1 ZINC001227939730 1035823563 /nfs/dbraw/zinc/82/35/63/1035823563.db2.gz DIBIXUDIBFEQJI-UHFFFAOYSA-N -1 3 371.433 2.818 20 10 FFCDHM NC(=O)c1ccc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233078625 1036325628 /nfs/dbraw/zinc/32/56/28/1036325628.db2.gz BIGJXBVYOBWODJ-UHFFFAOYSA-N -1 3 362.376 2.813 20 10 FFCDHM CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1ccc(F)c(F)c1[O-] ZINC001233079900 1036327788 /nfs/dbraw/zinc/32/77/88/1036327788.db2.gz MXMFMQTWGLYAHJ-KBPBESRZSA-N -1 3 372.412 2.737 20 10 FFCDHM CCCN(CC(=O)OCC)Cc1cc(Br)c(OC)cc1[O-] ZINC001233142847 1036396265 /nfs/dbraw/zinc/39/62/65/1036396265.db2.gz ZFAMRBKZQHABKO-UHFFFAOYSA-N -1 3 360.248 2.938 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](C)[C@@H](O)CC2)c1 ZINC001233306461 1036512790 /nfs/dbraw/zinc/51/27/90/1036512790.db2.gz RCIBZQBIKRJNPA-YGRLFVJLSA-N -1 3 372.259 2.534 20 10 FFCDHM C[C@@H](O)CCCC(=O)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191942 1036542766 /nfs/dbraw/zinc/54/27/66/1036542766.db2.gz GSOAJRBQIDACFV-LLVKDONJSA-N -1 3 354.358 2.624 20 10 FFCDHM CCOC(=O)C[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748925 1037164684 /nfs/dbraw/zinc/16/46/84/1037164684.db2.gz NOCFIWJNSBQCRL-SECBINFHSA-N -1 3 374.345 2.784 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447951 1037586129 /nfs/dbraw/zinc/58/61/29/1037586129.db2.gz YYUCXLVKPCYMFS-OAHLLOKOSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447951 1037586136 /nfs/dbraw/zinc/58/61/36/1037586136.db2.gz YYUCXLVKPCYMFS-OAHLLOKOSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450409 1037588568 /nfs/dbraw/zinc/58/85/68/1037588568.db2.gz QZEXUTGREXDZHL-UHFFFAOYSA-N -1 3 362.426 2.580 20 10 FFCDHM CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450409 1037588575 /nfs/dbraw/zinc/58/85/75/1037588575.db2.gz QZEXUTGREXDZHL-UHFFFAOYSA-N -1 3 362.426 2.580 20 10 FFCDHM CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231451407 1037591763 /nfs/dbraw/zinc/59/17/63/1037591763.db2.gz YFBSDJQRSLPOPF-UHFFFAOYSA-N -1 3 364.442 2.827 20 10 FFCDHM CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231451071 1037591972 /nfs/dbraw/zinc/59/19/72/1037591972.db2.gz KSXYINSPJMWVAO-QGZVFWFLSA-N -1 3 363.454 2.746 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452557 1037592772 /nfs/dbraw/zinc/59/27/72/1037592772.db2.gz BZGFFTXAYMOJKB-LJQANCHMSA-N -1 3 364.442 2.827 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452557 1037592780 /nfs/dbraw/zinc/59/27/80/1037592780.db2.gz BZGFFTXAYMOJKB-LJQANCHMSA-N -1 3 364.442 2.827 20 10 FFCDHM C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453207 1037594136 /nfs/dbraw/zinc/59/41/36/1037594136.db2.gz IJIRAXOMDSPOIB-IUODEOHRSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453207 1037594148 /nfs/dbraw/zinc/59/41/48/1037594148.db2.gz IJIRAXOMDSPOIB-IUODEOHRSA-N -1 3 364.442 2.968 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001231563584 1037687421 /nfs/dbraw/zinc/68/74/21/1037687421.db2.gz RIYBBWGSZMLZKO-IBGZPJMESA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001231563584 1037687426 /nfs/dbraw/zinc/68/74/26/1037687426.db2.gz RIYBBWGSZMLZKO-IBGZPJMESA-N -1 3 372.446 2.781 20 10 FFCDHM Cc1cc([O-])c(CN2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)cc1Cl ZINC001231869621 1037965463 /nfs/dbraw/zinc/96/54/63/1037965463.db2.gz SUUCZSRMFDTGJV-UHFFFAOYSA-N -1 3 374.872 2.839 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](Oc3ncccn3)C2)c1 ZINC001236671730 1038184827 /nfs/dbraw/zinc/18/48/27/1038184827.db2.gz WPFITEVZHMIWAU-ZDUSSCGKSA-N -1 3 364.243 2.906 20 10 FFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001236792931 1038273948 /nfs/dbraw/zinc/27/39/48/1038273948.db2.gz JYRYJYNVVVKLQW-OKILXGFUSA-N -1 3 357.281 2.994 20 10 FFCDHM COc1cc([O-])c(CN2CCOC3(CCOCC3)C2)c(Br)c1 ZINC001237071700 1038434511 /nfs/dbraw/zinc/43/45/11/1038434511.db2.gz WOKDHFCJJYIUCC-UHFFFAOYSA-N -1 3 372.259 2.545 20 10 FFCDHM CC(C)(C)c1ccc(OC[C@@H](O)CNCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001252769263 1039695703 /nfs/dbraw/zinc/69/57/03/1039695703.db2.gz MPHFJBKJULVOON-INIZCTEOSA-N -1 3 373.449 2.608 20 10 FFCDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1 ZINC001259323434 1039911514 /nfs/dbraw/zinc/91/15/14/1039911514.db2.gz ORQKFXKDIMXTKE-UHFFFAOYSA-N -1 3 363.435 2.915 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@H](F)C2)cc1I ZINC001248466358 1040282078 /nfs/dbraw/zinc/28/20/78/1040282078.db2.gz SJXPNQMKKXLRBS-JTQLQIEISA-N -1 3 365.186 2.939 20 10 FFCDHM CCCOC(=O)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC001213797896 1040919236 /nfs/dbraw/zinc/91/92/36/1040919236.db2.gz SDBCCOXMCTUCRW-UHFFFAOYSA-N -1 3 367.398 2.577 20 10 FFCDHM O=C(Nc1cccnc1)N1CCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001278569200 1041209018 /nfs/dbraw/zinc/20/90/18/1041209018.db2.gz RIRMFHCOYLEECW-UHFFFAOYSA-N -1 3 358.829 2.933 20 10 FFCDHM Cc1cc(NC(=O)C(=O)NCc2c([O-])cccc2F)ccc1OC(C)C ZINC001262744083 1041827180 /nfs/dbraw/zinc/82/71/80/1041827180.db2.gz DTFXCHOITUSLKY-UHFFFAOYSA-N -1 3 360.385 2.882 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001262926352 1041966648 /nfs/dbraw/zinc/96/66/48/1041966648.db2.gz BILCHSXTOKZCGN-QWHCGFSZSA-N -1 3 371.466 2.945 20 10 FFCDHM CS(=O)(=O)c1ccccc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216951875 1042170178 /nfs/dbraw/zinc/17/01/78/1042170178.db2.gz NGKLVSVDJUFAMR-UHFFFAOYSA-N -1 3 366.782 2.872 20 10 FFCDHM CS(=O)(=O)c1ccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cc1 ZINC001216951296 1042170338 /nfs/dbraw/zinc/17/03/38/1042170338.db2.gz DHCFJSMYRHIUIT-UHFFFAOYSA-N -1 3 366.782 2.872 20 10 FFCDHM O=C(Nc1cccnc1)N1CCC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001279528399 1043229204 /nfs/dbraw/zinc/22/92/04/1043229204.db2.gz ARSJPZMORROGEX-UHFFFAOYSA-N -1 3 356.401 2.666 20 10 FFCDHM CC(=O)[C@@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237783844 1043357042 /nfs/dbraw/zinc/35/70/42/1043357042.db2.gz OYSQNAXDUZFUKT-LLVKDONJSA-N -1 3 359.207 2.798 20 10 FFCDHM CC(C)NC(=O)N1C[C@@H]2CCN(Cc3c([O-])ccc(F)c3Cl)[C@@H]2C1 ZINC001279684275 1043463616 /nfs/dbraw/zinc/46/36/16/1043463616.db2.gz OUKCINRQEOROCP-SMDDNHRTSA-N -1 3 355.841 2.809 20 10 FFCDHM COc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1F ZINC000756367745 1043598222 /nfs/dbraw/zinc/59/82/22/1043598222.db2.gz WCUXQTDQHPXAFS-LJQANCHMSA-N -1 3 374.412 2.586 20 10 FFCDHM O=C(NC1CCC(F)CC1)[C@H]1CC12CN(Cc1c([O-])cccc1F)C2 ZINC001280009087 1044082553 /nfs/dbraw/zinc/08/25/53/1044082553.db2.gz PMULFDHARWAOEP-SSDMNJCBSA-N -1 3 350.409 2.750 20 10 FFCDHM NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001280109714 1044224022 /nfs/dbraw/zinc/22/40/22/1044224022.db2.gz KJOJGTOBIUMMLS-YFKFIEJBSA-N -1 3 373.678 2.751 20 10 FFCDHM O=C(c1cc2c([nH]1)CN(Cc1cc(F)ccc1[O-])CC2)N1CCCCO1 ZINC001280298327 1044565732 /nfs/dbraw/zinc/56/57/32/1044565732.db2.gz KDTGYKYBJVSUGY-UHFFFAOYSA-N -1 3 359.401 2.585 20 10 FFCDHM COc1c([O-])c(CNc2cnn(Cc3cccnc3)c2)ccc1[N+](=O)[O-] ZINC001326577299 1046987271 /nfs/dbraw/zinc/98/72/71/1046987271.db2.gz JJHIIEZOSNINSC-UHFFFAOYSA-N -1 3 355.354 2.561 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC001340193436 1050601360 /nfs/dbraw/zinc/60/13/60/1050601360.db2.gz OTIRCSNAJIEABD-UHFFFAOYSA-N -1 3 371.412 2.777 20 10 FFCDHM CN(C)c1cc(F)c(C(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001303876413 1051463709 /nfs/dbraw/zinc/46/37/09/1051463709.db2.gz ZZWWLTKHFUIUQG-UHFFFAOYSA-N -1 3 351.309 2.575 20 10 FFCDHM O=C(NC1CC1)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001338235851 1055347233 /nfs/dbraw/zinc/34/72/33/1055347233.db2.gz VHJXOVCPFDOBSG-JTQLQIEISA-N -1 3 371.250 2.784 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccns1 ZINC001545632697 1071823376 /nfs/dbraw/zinc/82/33/76/1071823376.db2.gz SLTWHYKPJNYEDW-ZDUSSCGKSA-N -1 3 351.859 2.897 20 10 FFCDHM Cc1ccc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)c([O-])c1O ZINC001456881659 1060221778 /nfs/dbraw/zinc/22/17/78/1060221778.db2.gz NCEIHVWDHZGNIL-UHFFFAOYSA-N -1 3 367.409 2.592 20 10 FFCDHM COCCn1c2ccccc2nc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001462656173 1061711796 /nfs/dbraw/zinc/71/17/96/1061711796.db2.gz QGPNKZXGMDHBTL-UHFFFAOYSA-N -1 3 372.381 2.917 20 10 FFCDHM O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1cccc(O)c1[O-] ZINC001465662019 1063173293 /nfs/dbraw/zinc/17/32/93/1063173293.db2.gz FEIQZTJIYRKGCH-HNNXBMFYSA-N -1 3 357.797 2.967 20 10 FFCDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Br)c1 ZINC001471305943 1064633756 /nfs/dbraw/zinc/63/37/56/1064633756.db2.gz AJFCNCAHMZDEAV-CYBMUJFWSA-N -1 3 366.211 2.978 20 10 FFCDHM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001471975916 1064875940 /nfs/dbraw/zinc/87/59/40/1064875940.db2.gz MNQCZRGJPBJSDH-KRWDZBQOSA-N -1 3 358.413 2.675 20 10 FFCDHM COc1ccc(C(=O)CCC(=O)NCc2c([O-])cccc2F)cc1OC ZINC001471974622 1064876513 /nfs/dbraw/zinc/87/65/13/1064876513.db2.gz IDOPMGOHWRLXLX-UHFFFAOYSA-N -1 3 361.369 2.828 20 10 FFCDHM [O-]c1c(F)cc(F)cc1CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC001474311540 1065492179 /nfs/dbraw/zinc/49/21/79/1065492179.db2.gz NPYMPUHBEYDYIX-UHFFFAOYSA-N -1 3 373.403 2.910 20 10 FFCDHM [O-]c1c(F)cc(F)cc1CN(CCN1CCOCC1)Cc1ccco1 ZINC001474580602 1065554597 /nfs/dbraw/zinc/55/45/97/1065554597.db2.gz ZJJPZYUDGJKRBA-UHFFFAOYSA-N -1 3 352.381 2.598 20 10 FFCDHM Cc1cccc(NC(=O)NCc2c([O-])cccc2F)c1S(C)(=O)=O ZINC001562946013 1074727445 /nfs/dbraw/zinc/72/74/45/1074727445.db2.gz SDMHJXIKAFBZME-UHFFFAOYSA-N -1 3 352.387 2.565 20 10 FFCDHM COC(=O)[C@@H](COC1CCC1)N(C)Cc1ccc(Br)cc1[O-] ZINC001560638129 1076286979 /nfs/dbraw/zinc/28/69/79/1076286979.db2.gz ATUHQHYQYFXRGR-CQSZACIVSA-N -1 3 372.259 2.697 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001560874413 1076305695 /nfs/dbraw/zinc/30/56/95/1076305695.db2.gz YARAEWBKLUAQRH-CYBMUJFWSA-N -1 3 372.412 2.786 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267675 1080454510 /nfs/dbraw/zinc/45/45/10/1080454510.db2.gz HFTHJXUVJDDMGM-VVKQEJOYSA-N -1 3 367.829 2.843 20 10 FFCDHM C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965882 1080908828 /nfs/dbraw/zinc/90/88/28/1080908828.db2.gz RIEVAIVAWVYBTC-BPUTZDHNSA-N -1 3 365.437 2.796 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974179 1080915477 /nfs/dbraw/zinc/91/54/77/1080915477.db2.gz QOCBFXBSDCSKSX-OGHNNQOOSA-N -1 3 366.425 2.538 20 10 FFCDHM COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000010906427 506758530 /nfs/dbraw/zinc/75/85/30/506758530.db2.gz SKMPZNNIQWJPMN-UHFFFAOYSA-N -1 3 356.422 2.510 20 10 FFCDHM O=c1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)nc2sccn21 ZINC000070976265 507672810 /nfs/dbraw/zinc/67/28/10/507672810.db2.gz WVKDIBJCVOZBDH-INIZCTEOSA-N -1 3 371.462 2.643 20 10 FFCDHM COc1cc(Br)cc(CN2CCC[C@H]2c2ncon2)c1[O-] ZINC000371376785 512362098 /nfs/dbraw/zinc/36/20/98/512362098.db2.gz ZTQSBBWEVKSNAT-NSHDSACASA-N -1 3 354.204 2.883 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cnn(C)c1 ZINC000073823143 507959666 /nfs/dbraw/zinc/95/96/66/507959666.db2.gz BEEIHABMPCUAFK-UHFFFAOYSA-N -1 3 367.247 2.620 20 10 FFCDHM CCCN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093911493 508160773 /nfs/dbraw/zinc/16/07/73/508160773.db2.gz ILWMDBSIUXUWRR-UHFFFAOYSA-N -1 3 362.451 2.816 20 10 FFCDHM O=C(CCc1cnccn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373538550 512385150 /nfs/dbraw/zinc/38/51/50/512385150.db2.gz OJFBRCRYSKZWPK-QGZVFWFLSA-N -1 3 374.872 2.549 20 10 FFCDHM CCn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000158104859 508658167 /nfs/dbraw/zinc/65/81/67/508658167.db2.gz PFOWIDBJEJGQTH-MRXNPFEDSA-N -1 3 362.861 2.656 20 10 FFCDHM CCCOc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)c([O-])c1 ZINC000156045324 509115948 /nfs/dbraw/zinc/11/59/48/509115948.db2.gz DRKYSHNNBJMSDT-UHFFFAOYSA-N -1 3 356.348 2.807 20 10 FFCDHM C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186054929 509501185 /nfs/dbraw/zinc/50/11/85/509501185.db2.gz AJXZYXCQOVMNTH-TVQRCGJNSA-N -1 3 369.252 2.889 20 10 FFCDHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(F)ccc1[O-] ZINC000179882205 509659362 /nfs/dbraw/zinc/65/93/62/509659362.db2.gz CHNKHKREADWWBF-UHFFFAOYSA-N -1 3 359.401 2.950 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(C)c1C ZINC000268415600 509914858 /nfs/dbraw/zinc/91/48/58/509914858.db2.gz KCFYIAVLLKZVKO-UHFFFAOYSA-N -1 3 352.232 2.859 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194324720 510313759 /nfs/dbraw/zinc/31/37/59/510313759.db2.gz RAQQAUCEMUNVEL-ZDUSSCGKSA-N -1 3 369.259 2.562 20 10 FFCDHM C[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1[O-] ZINC000187689166 510388336 /nfs/dbraw/zinc/38/83/36/510388336.db2.gz QIDRHKLYEAQLOO-NSHDSACASA-N -1 3 350.365 2.847 20 10 FFCDHM CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217964 510551871 /nfs/dbraw/zinc/55/18/71/510551871.db2.gz XRLHOVYJBBDOOK-GHMZBOCLSA-N -1 3 370.421 2.990 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CNCC(F)(F)F ZINC000266537049 510644264 /nfs/dbraw/zinc/64/42/64/510644264.db2.gz OEQSSZCPXMRBRP-UHFFFAOYSA-N -1 3 369.181 2.655 20 10 FFCDHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(C)n1-c1ccccn1 ZINC000360172806 510879806 /nfs/dbraw/zinc/87/98/06/510879806.db2.gz KUBQSYOVHXWSAZ-UHFFFAOYSA-N -1 3 358.405 2.948 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1COc2ccccc2C1 ZINC000277403141 510962307 /nfs/dbraw/zinc/96/23/07/510962307.db2.gz QDPCBZFEJLUEGL-OAHLLOKOSA-N -1 3 372.808 2.814 20 10 FFCDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)cc1OC ZINC000277522302 510965033 /nfs/dbraw/zinc/96/50/33/510965033.db2.gz YUTVSDRMFAJBIA-INIZCTEOSA-N -1 3 357.406 2.944 20 10 FFCDHM COc1c([O-])c(CN(C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269920 510987105 /nfs/dbraw/zinc/98/71/05/510987105.db2.gz RKLVOXGKUNFIFN-RUZDIDTESA-N -1 3 364.423 2.678 20 10 FFCDHM COc1c([O-])c(CN[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000278467041 510993473 /nfs/dbraw/zinc/99/34/73/510993473.db2.gz GJXXJWRDANIACW-ZDUSSCGKSA-N -1 3 352.774 2.786 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(F)c(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000278534972 510997302 /nfs/dbraw/zinc/99/73/02/510997302.db2.gz VXUIHLDCHYSKPM-UHFFFAOYSA-N -1 3 363.389 2.800 20 10 FFCDHM COc1c([O-])c(CN2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364761697 511067796 /nfs/dbraw/zinc/06/77/96/511067796.db2.gz WFRBGNVSHVBELP-SFHVURJKSA-N -1 3 362.357 2.542 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2noc(COC(C)C)n2)c1[O-] ZINC000289441273 511101823 /nfs/dbraw/zinc/10/18/23/511101823.db2.gz FAQDXXGEZOYIHQ-JTQLQIEISA-N -1 3 351.378 2.893 20 10 FFCDHM CCOc1cccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1O ZINC000282773159 511106606 /nfs/dbraw/zinc/10/66/06/511106606.db2.gz JUDKBRRZSZUELB-UHFFFAOYSA-N -1 3 366.439 2.783 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@]3(CNC(=O)O3)C2)c1[O-] ZINC000364881732 511131326 /nfs/dbraw/zinc/13/13/26/511131326.db2.gz AREXGUPFCQNPRX-HNNXBMFYSA-N -1 3 355.232 2.538 20 10 FFCDHM CCOCc1nc([C@@H](C)NCc2cc(Br)ccc2[O-])no1 ZINC000290960422 511155676 /nfs/dbraw/zinc/15/56/76/511155676.db2.gz RLUOEQBDCIEQNH-SECBINFHSA-N -1 3 356.220 2.925 20 10 FFCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295469090 511415911 /nfs/dbraw/zinc/41/59/11/511415911.db2.gz WJTGPRHWPRPCRH-MRXNPFEDSA-N -1 3 353.825 2.864 20 10 FFCDHM Cc1cccc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)c1 ZINC000273227302 511520157 /nfs/dbraw/zinc/52/01/57/511520157.db2.gz LKVZLTKITTUIAP-OAHLLOKOSA-N -1 3 374.462 2.702 20 10 FFCDHM C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424144 511525199 /nfs/dbraw/zinc/52/51/99/511525199.db2.gz SXSSPHRHLVTQAN-NSHDSACASA-N -1 3 365.411 2.523 20 10 FFCDHM C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464396 511527625 /nfs/dbraw/zinc/52/76/25/511527625.db2.gz IOVBNAYGSIFJDL-DYVFJYSZSA-N -1 3 355.394 2.752 20 10 FFCDHM C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480392 511529611 /nfs/dbraw/zinc/52/96/11/511529611.db2.gz UGXFSUWUGHORAI-CXAGYDPISA-N -1 3 370.409 2.537 20 10 FFCDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000280625992 511538270 /nfs/dbraw/zinc/53/82/70/511538270.db2.gz SIFIHYHYCFMCFH-UHFFFAOYSA-N -1 3 367.423 2.617 20 10 FFCDHM CC[C@@H](NCc1nnc2n1CCC2)c1cc(Br)ccc1[O-] ZINC000274970400 512002948 /nfs/dbraw/zinc/00/29/48/512002948.db2.gz YCPJUSIVDCGTNH-GFCCVEGCSA-N -1 3 351.248 2.933 20 10 FFCDHM COc1cccc(OC)c1OC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274990369 512008623 /nfs/dbraw/zinc/00/86/23/512008623.db2.gz RONXVHRTEZAWAY-UHFFFAOYSA-N -1 3 373.405 2.799 20 10 FFCDHM Cc1cc(C(=O)OC[C@@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737243744 598623368 /nfs/dbraw/zinc/62/33/68/598623368.db2.gz VWTRPHNNHCCSHK-INIZCTEOSA-N -1 3 367.409 2.610 20 10 FFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000826243841 607651433 /nfs/dbraw/zinc/65/14/33/607651433.db2.gz XKWHUZGKBZAUOA-UHFFFAOYSA-N -1 3 350.426 2.513 20 10 FFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000826243841 607651435 /nfs/dbraw/zinc/65/14/35/607651435.db2.gz XKWHUZGKBZAUOA-UHFFFAOYSA-N -1 3 350.426 2.513 20 10 FFCDHM COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733914 605128223 /nfs/dbraw/zinc/12/82/23/605128223.db2.gz VLNPHUOJHMEOKW-LBPRGKRZSA-N -1 3 358.394 2.697 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821222068 606574397 /nfs/dbraw/zinc/57/43/97/606574397.db2.gz OGBFRAQXMKRZRQ-UHFFFAOYSA-N -1 3 350.426 2.595 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821222068 606574399 /nfs/dbraw/zinc/57/43/99/606574399.db2.gz OGBFRAQXMKRZRQ-UHFFFAOYSA-N -1 3 350.426 2.595 20 10 FFCDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)c1ccc(OC)c(OC)c1 ZINC000825428106 608370069 /nfs/dbraw/zinc/37/00/69/608370069.db2.gz BSTFTPKUJWJXKA-UHFFFAOYSA-N -1 3 369.425 2.919 20 10 FFCDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(OC)c(OC)c1 ZINC000825428106 608370071 /nfs/dbraw/zinc/37/00/71/608370071.db2.gz BSTFTPKUJWJXKA-UHFFFAOYSA-N -1 3 369.425 2.919 20 10 FFCDHM O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2)nc[n-]1 ZINC000898159132 735320173 /nfs/dbraw/zinc/32/01/73/735320173.db2.gz OQVSSUYAVDOZRS-LLVKDONJSA-N -1 3 355.225 2.563 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005923666 727783802 /nfs/dbraw/zinc/78/38/02/727783802.db2.gz IVYVBVPJBUZMAW-UHFFFAOYSA-N -1 3 354.453 2.557 20 10 FFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000028257023 727884401 /nfs/dbraw/zinc/88/44/01/727884401.db2.gz WDQAEQGKYBXIMN-UHFFFAOYSA-N -1 3 360.844 2.512 20 10 FFCDHM Cc1cc(C)cc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000107354553 728515703 /nfs/dbraw/zinc/51/57/03/728515703.db2.gz IOQDUGYIQNKRTP-ZDUSSCGKSA-N -1 3 362.451 2.872 20 10 FFCDHM CC1(C)CCC(C)(C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000862587405 730710258 /nfs/dbraw/zinc/71/02/58/730710258.db2.gz PRLRZSZPNVIBFR-UHFFFAOYSA-N -1 3 354.472 2.805 20 10 FFCDHM CCOC(=O)c1cc(CNCc2cc(C)cc(Br)c2[O-])on1 ZINC000865763775 730994681 /nfs/dbraw/zinc/99/46/81/730994681.db2.gz NGHPWBWVECGVFM-UHFFFAOYSA-N -1 3 369.215 2.918 20 10 FFCDHM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859161 732445783 /nfs/dbraw/zinc/44/57/83/732445783.db2.gz QKCYORFMXDHJPT-CYBMUJFWSA-N -1 3 371.137 2.993 20 10 FFCDHM O=C(NOCc1ccc(F)cc1Br)c1cccc(O)c1[O-] ZINC000781885052 738667550 /nfs/dbraw/zinc/66/75/50/738667550.db2.gz XDZCIHUEVPEVDQ-UHFFFAOYSA-N -1 3 356.147 2.861 20 10 FFCDHM CC1(CNC(=O)NCc2c([O-])cccc2F)CCC2(CC1)OCCO2 ZINC000897625667 735256614 /nfs/dbraw/zinc/25/66/14/735256614.db2.gz MKKZKFXEEYPBKK-UHFFFAOYSA-N -1 3 352.406 2.654 20 10 FFCDHM C[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000749967590 735763765 /nfs/dbraw/zinc/76/37/65/735763765.db2.gz WFBKENDDTKTCLO-ZDUSSCGKSA-N -1 3 362.451 2.687 20 10 FFCDHM CCO[C@H](C)c1noc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])n1 ZINC000750825405 735818257 /nfs/dbraw/zinc/81/82/57/735818257.db2.gz BFZFOFQSTUZDPZ-LLVKDONJSA-N -1 3 351.378 2.846 20 10 FFCDHM CCOC(=O)Cn1cccc(NCc2c([O-])cc(C)cc2Cl)c1=O ZINC000902228830 735920949 /nfs/dbraw/zinc/92/09/49/735920949.db2.gz JQCNBXWTEBCDPV-UHFFFAOYSA-N -1 3 350.802 2.691 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1SCCS1 ZINC000761983022 736779245 /nfs/dbraw/zinc/77/92/45/736779245.db2.gz PXYNONXVRHLHJP-CYBMUJFWSA-N -1 3 372.943 2.932 20 10 FFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000769411788 737525639 /nfs/dbraw/zinc/52/56/39/737525639.db2.gz KYKVNUVDSKRPBB-HIFRSBDPSA-N -1 3 374.300 2.696 20 10 FFCDHM Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000919812152 737878562 /nfs/dbraw/zinc/87/85/62/737878562.db2.gz LIAFYRZBFJEFHQ-ZDUSSCGKSA-N -1 3 362.451 2.872 20 10 FFCDHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(Br)c1[O-] ZINC000776015142 738152309 /nfs/dbraw/zinc/15/23/09/738152309.db2.gz UNSXTMKEMNQYIZ-CHWSQXEVSA-N -1 3 372.259 2.697 20 10 FFCDHM CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCCC1 ZINC000776493466 738199702 /nfs/dbraw/zinc/19/97/02/738199702.db2.gz FVJLGTVJYIOTKE-UHFFFAOYSA-N -1 3 354.472 2.854 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)CN1C(=O)OC(C)(C)C ZINC000790911593 739512308 /nfs/dbraw/zinc/51/23/08/739512308.db2.gz IACYBAYEYHWMFV-VXGBXAGGSA-N -1 3 350.415 2.568 20 10 FFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000793360666 739773290 /nfs/dbraw/zinc/77/32/90/739773290.db2.gz CKFBSNHOZZYODG-GDBMZVCRSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000818358302 742266654 /nfs/dbraw/zinc/26/66/54/742266654.db2.gz TYLNEYSDMFZKIH-NXEZZACHSA-N -1 3 364.423 2.834 20 10 FFCDHM CS(=O)(=O)C[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000826064723 743363259 /nfs/dbraw/zinc/36/32/59/743363259.db2.gz NVWHPQLZDNLPTD-CYBMUJFWSA-N -1 3 362.289 2.554 20 10 FFCDHM Cc1ccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000837145448 746378037 /nfs/dbraw/zinc/37/80/37/746378037.db2.gz WVFKQWVYNRUEEQ-UHFFFAOYSA-N -1 3 362.451 2.653 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@H]4CCC[C@H]43)c2c1 ZINC000840147796 747019807 /nfs/dbraw/zinc/01/98/07/747019807.db2.gz YYPGLEMBNWGSCL-MJGOQNOKSA-N -1 3 361.463 2.706 20 10 FFCDHM CCc1nc(CN2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)no1 ZINC000840916759 747224103 /nfs/dbraw/zinc/22/41/03/747224103.db2.gz CQTVHCIFRSSZFC-UHFFFAOYSA-N -1 3 350.850 2.617 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000840995736 747252725 /nfs/dbraw/zinc/25/27/25/747252725.db2.gz PDSSFZYBNCSUCX-JTQLQIEISA-N -1 3 358.232 2.850 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000840995736 747252727 /nfs/dbraw/zinc/25/27/27/747252727.db2.gz PDSSFZYBNCSUCX-JTQLQIEISA-N -1 3 358.232 2.850 20 10 FFCDHM O=S1(=O)C[C@@H](CNCc2c([O-])ccc(Cl)c2F)Oc2ccccc21 ZINC000842724042 747669724 /nfs/dbraw/zinc/66/97/24/747669724.db2.gz NKLNWDMRQUPHME-SNVBAGLBSA-N -1 3 371.817 2.509 20 10 FFCDHM COc1c([O-])c(CN[C@@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000846015064 748382898 /nfs/dbraw/zinc/38/28/98/748382898.db2.gz VTBDNLFTFFQTEP-ZUZCIYMTSA-N -1 3 350.346 2.660 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(Br)CC1 ZINC000846825688 748552266 /nfs/dbraw/zinc/55/22/66/748552266.db2.gz VZFIMWGGCJMGKK-UHFFFAOYSA-N -1 3 362.651 2.948 20 10 FFCDHM COCCN(Cc1cccc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000848922703 749034630 /nfs/dbraw/zinc/03/46/30/749034630.db2.gz YLHNQRRXTULXPC-NSHDSACASA-N -1 3 372.181 2.526 20 10 FFCDHM COc1cc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(O)cc1C ZINC000853622386 750117102 /nfs/dbraw/zinc/11/71/02/750117102.db2.gz GDBQBLBOJDJWME-MFKMUULPSA-N -1 3 360.376 2.598 20 10 FFCDHM O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1c([O-])cccc1Cl ZINC001275837790 1013061023 /nfs/dbraw/zinc/06/10/23/1013061023.db2.gz NFSWPLVUQXZVNE-GOSISDBHSA-N -1 3 361.829 2.801 20 10 FFCDHM O=C1NCC2(CCN(Cc3cc(F)cc(F)c3[O-])CC2)Oc2ccccc21 ZINC000896444788 971493262 /nfs/dbraw/zinc/49/32/62/971493262.db2.gz MZPDFXGSSYQIIH-UHFFFAOYSA-N -1 3 374.387 2.827 20 10 FFCDHM COC(C)(C)CN1CC[C@]2(CCCN2Cc2cccc(F)c2[O-])C1=O ZINC001276086505 1013433290 /nfs/dbraw/zinc/43/32/90/1013433290.db2.gz RUQRJTRHYQBQFB-LJQANCHMSA-N -1 3 350.434 2.523 20 10 FFCDHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCC2 ZINC000179403904 968710983 /nfs/dbraw/zinc/71/09/83/968710983.db2.gz PMYFAOVOLMABJE-QGZVFWFLSA-N -1 3 374.462 2.880 20 10 FFCDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000177229241 969134926 /nfs/dbraw/zinc/13/49/26/969134926.db2.gz WWFBDEPADZXALU-UHFFFAOYSA-N -1 3 369.396 2.993 20 10 FFCDHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000896980107 973113525 /nfs/dbraw/zinc/11/35/25/973113525.db2.gz NRCKHLFOIORMBS-GOSISDBHSA-N -1 3 372.412 2.522 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC000898729163 976647826 /nfs/dbraw/zinc/64/78/26/976647826.db2.gz FAKAVUXNEPKGDX-INIZCTEOSA-N -1 3 352.438 2.644 20 10 FFCDHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000760660096 984323806 /nfs/dbraw/zinc/32/38/06/984323806.db2.gz PTULDGIJWXESLJ-FXAWDEMLSA-N -1 3 359.397 2.741 20 10 FFCDHM COc1ccc(N2CC[C@H](NC(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC000923189325 990948055 /nfs/dbraw/zinc/94/80/55/990948055.db2.gz WUDZRLFJDSLVFI-ZDUSSCGKSA-N -1 3 359.401 2.618 20 10 FFCDHM Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179887464 991370343 /nfs/dbraw/zinc/37/03/43/991370343.db2.gz BNVRQSHZIXFNDR-UHFFFAOYSA-N -1 3 371.456 2.904 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC(N2CCCCC2)C1 ZINC001237782038 992716928 /nfs/dbraw/zinc/71/69/28/992716928.db2.gz CVAINLZORMPHHW-UHFFFAOYSA-N -1 3 372.250 2.667 20 10 FFCDHM C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593298327 994713852 /nfs/dbraw/zinc/71/38/52/994713852.db2.gz IHDWOFDONKURGN-CYBMUJFWSA-N -1 3 352.394 2.581 20 10 FFCDHM COc1cc(Br)cc(C[NH2+][C@H](CC(F)(F)F)C(=O)[O-])c1[O-] ZINC001599346287 998011410 /nfs/dbraw/zinc/01/14/10/998011410.db2.gz CTAOVWBWWCYRGD-MRVPVSSYSA-N -1 3 372.137 2.659 20 10 FFCDHM Nc1c(Br)cc(F)cc1C(=O)NCc1c([O-])cccc1F ZINC001156177675 999987696 /nfs/dbraw/zinc/98/76/96/999987696.db2.gz MHYUVJPAEXCTKL-UHFFFAOYSA-N -1 3 357.154 2.945 20 10 FFCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCc2ccccc21 ZINC000846514776 1000338227 /nfs/dbraw/zinc/33/82/27/1000338227.db2.gz WOEQHCUYPPJSDJ-ZDUSSCGKSA-N -1 3 374.462 2.566 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000846611314 1000392742 /nfs/dbraw/zinc/39/27/42/1000392742.db2.gz ILZUYKCUOQCXGV-UHFFFAOYSA-N -1 3 364.442 2.865 20 10 FFCDHM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc2c(c1)CCCO2 ZINC000771599946 1001154844 /nfs/dbraw/zinc/15/48/44/1001154844.db2.gz UWWHKPYZPAWNOX-UHFFFAOYSA-N -1 3 374.462 2.649 20 10 FFCDHM CC(C)(C)OC(=O)[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001148580599 1001174439 /nfs/dbraw/zinc/17/44/39/1001174439.db2.gz ISZIOQPMUBCJPI-HNNXBMFYSA-N -1 3 359.378 2.616 20 10 FFCDHM CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786032281 1001521181 /nfs/dbraw/zinc/52/11/81/1001521181.db2.gz YMBHKHJYCBPCJU-UHFFFAOYSA-N -1 3 355.394 2.642 20 10 FFCDHM CCOC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H]1C(F)(F)F ZINC001183652258 1002336324 /nfs/dbraw/zinc/33/63/24/1002336324.db2.gz PMICGGYBDBEDBP-GHMZBOCLSA-N -1 3 353.287 2.844 20 10 FFCDHM Cc1cc(C)n(-c2ccc(CCNC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC000790538211 1002394844 /nfs/dbraw/zinc/39/48/44/1002394844.db2.gz FLFIWDYSIKRNQK-UHFFFAOYSA-N -1 3 351.406 2.873 20 10 FFCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774910434 1003012939 /nfs/dbraw/zinc/01/29/39/1003012939.db2.gz XUUVEBJLHIWGAI-HUUCEWRRSA-N -1 3 365.430 2.530 20 10 FFCDHM COc1ccc(CNC(=O)CNCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001199769938 1005023035 /nfs/dbraw/zinc/02/30/35/1005023035.db2.gz RXFHZRNVGIBXMB-UHFFFAOYSA-N -1 3 352.793 2.599 20 10 FFCDHM COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000852452589 1006032922 /nfs/dbraw/zinc/03/29/22/1006032922.db2.gz BNGUSRDEUGPOCQ-CQSZACIVSA-N -1 3 359.401 2.618 20 10 FFCDHM COC(=O)N1CCN(c2ccc(N[C@H](C)c3ccc(F)cc3[O-])cn2)CC1 ZINC000815654918 1006726682 /nfs/dbraw/zinc/72/66/82/1006726682.db2.gz CSLCWRQXASIHTG-CYBMUJFWSA-N -1 3 374.416 2.988 20 10 FFCDHM COC(=O)c1cncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001191221409 1007939521 /nfs/dbraw/zinc/93/95/21/1007939521.db2.gz UQGWGUGJCYISJV-UHFFFAOYSA-N -1 3 371.780 2.705 20 10 FFCDHM C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1c([O-])cccc1F ZINC000886512507 1008710556 /nfs/dbraw/zinc/71/05/56/1008710556.db2.gz HWXXGZWQJCKADF-CQSZACIVSA-N -1 3 358.413 2.855 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2(c3ccccc3)CC2)c1 ZINC001178179767 1008896843 /nfs/dbraw/zinc/89/68/43/1008896843.db2.gz QLAORSNMOHHNKH-UHFFFAOYSA-N -1 3 374.462 2.615 20 10 FFCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]O[C@@H](CO)C(C)C)cc1 ZINC000861907534 1009615265 /nfs/dbraw/zinc/61/52/65/1009615265.db2.gz RRDKQIKXZLGVAW-IBGZPJMESA-N -1 3 358.438 2.514 20 10 FFCDHM CCCCN1C[C@@]2(F)CN(Cc3cc(Cl)ccc3[O-])C[C@@]2(F)C1=O ZINC001275248353 1012137293 /nfs/dbraw/zinc/13/72/93/1012137293.db2.gz NIHHSAXLAFITSZ-DLBZAZTESA-N -1 3 358.816 2.920 20 10 FFCDHM O=C(NCCc1ccc(O)c(O)c1)c1cc([O-])cc(Br)c1 ZINC001137464822 1018610967 /nfs/dbraw/zinc/61/09/67/1018610967.db2.gz ROEPZWFGYONEKB-UHFFFAOYSA-N -1 3 352.184 2.538 20 10 FFCDHM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)CO1 ZINC000928710503 1019084412 /nfs/dbraw/zinc/08/44/12/1019084412.db2.gz NLRUHNYZHJLKJM-QWHCGFSZSA-N -1 3 367.417 2.675 20 10 FFCDHM CNC(=O)[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])c2ccccc2O1 ZINC000750032592 1021248410 /nfs/dbraw/zinc/24/84/10/1021248410.db2.gz DXWVMWNYQRCFLO-QGZVFWFLSA-N -1 3 374.824 2.762 20 10 FFCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001117549014 1021752218 /nfs/dbraw/zinc/75/22/18/1021752218.db2.gz ZGUYKODLSLJJRI-UHFFFAOYSA-N -1 3 362.685 2.765 20 10 FFCDHM COc1ccc(Cn2ccc(NC(=O)c3ccc(C)c(O)c3[O-])n2)cc1 ZINC000189652724 1023314545 /nfs/dbraw/zinc/31/45/45/1023314545.db2.gz PZYCYAOCUMAENA-UHFFFAOYSA-N -1 3 353.378 2.912 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000756868006 1023761371 /nfs/dbraw/zinc/76/13/71/1023761371.db2.gz PIGAQEXJPGCVFA-ZDUSSCGKSA-N -1 3 352.394 2.992 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001137834308 1033168384 /nfs/dbraw/zinc/16/83/84/1033168384.db2.gz BSUQPMIXEKKMGB-DFQSSKMNSA-N -1 3 365.445 2.706 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC001154316928 1028236413 /nfs/dbraw/zinc/23/64/13/1028236413.db2.gz RQHORYRZONHYCI-UHFFFAOYSA-N -1 3 366.421 2.769 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)c(=O)[nH][n-]c2=O ZINC001154316928 1028236426 /nfs/dbraw/zinc/23/64/26/1028236426.db2.gz RQHORYRZONHYCI-UHFFFAOYSA-N -1 3 366.421 2.769 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c([O-])c1O ZINC000780893085 1028854252 /nfs/dbraw/zinc/85/42/52/1028854252.db2.gz NDAXDAKILMBJAJ-STQMWFEESA-N -1 3 357.410 2.667 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c([O-])c1O ZINC000780956908 1028893979 /nfs/dbraw/zinc/89/39/79/1028893979.db2.gz YONAGUUBMOQRHE-UHFFFAOYSA-N -1 3 369.356 2.651 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC001204743290 1031423994 /nfs/dbraw/zinc/42/39/94/1031423994.db2.gz BHVVADMDZUFVTN-UHFFFAOYSA-N -1 3 356.804 2.955 20 10 FFCDHM COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001139093581 1034929709 /nfs/dbraw/zinc/92/97/09/1034929709.db2.gz ZKMGXILFQZLGNA-UHFFFAOYSA-N -1 3 374.448 2.925 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1 ZINC000834899314 1035471630 /nfs/dbraw/zinc/47/16/30/1035471630.db2.gz UVLFUVRCLPJDNB-VOJFVSQTSA-N -1 3 356.378 2.577 20 10 FFCDHM CN(C)c1ccc(/C=C/CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000835024653 1035489422 /nfs/dbraw/zinc/48/94/22/1035489422.db2.gz AEIFLBLFYPICIA-ONEGZZNKSA-N -1 3 365.477 2.929 20 10 FFCDHM CC[C@@H](C)N1CC2(CN(Cc3ccc4ccccc4c3[O-])C2)OCC1=O ZINC001277223244 1035628346 /nfs/dbraw/zinc/62/83/46/1035628346.db2.gz IQUFZLPPRLIWDH-OAHLLOKOSA-N -1 3 354.450 2.757 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCOC[C@@H]1C1CC1 ZINC001232978079 1036211171 /nfs/dbraw/zinc/21/11/71/1036211171.db2.gz WUJJEZFNUFEDQC-CYBMUJFWSA-N -1 3 359.207 2.608 20 10 FFCDHM COc1cc([O-])c(CN2CCn3c(C)ncc3C2)cc1Br ZINC001233137347 1036384327 /nfs/dbraw/zinc/38/43/27/1036384327.db2.gz JLAGSJCRNSFNRP-UHFFFAOYSA-N -1 3 352.232 2.684 20 10 FFCDHM COC(C[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)OC ZINC001229191499 1036540630 /nfs/dbraw/zinc/54/06/30/1036540630.db2.gz BBKDWYDQXWDGDU-NSHDSACASA-N -1 3 356.374 2.944 20 10 FFCDHM O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333603 1036542410 /nfs/dbraw/zinc/54/24/10/1036542410.db2.gz BNSHVVNBQHGGOW-AWEZNQCLSA-N -1 3 350.409 2.941 20 10 FFCDHM COC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2cn(C)nc21 ZINC001233416307 1036611451 /nfs/dbraw/zinc/61/14/51/1036611451.db2.gz CUVZGJCDYDWDFA-ZDUSSCGKSA-N -1 3 355.360 2.890 20 10 FFCDHM O=C1N(C2COC2)CC[C@@]12CCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277830332 1036909973 /nfs/dbraw/zinc/90/99/73/1036909973.db2.gz PXYQMFUJMLCTIM-KRWDZBQOSA-N -1 3 371.264 2.665 20 10 FFCDHM C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ncccn1 ZINC001234747705 1037164499 /nfs/dbraw/zinc/16/44/99/1037164499.db2.gz VDPIBGFTZPIGNH-VIFPVBQESA-N -1 3 366.329 2.993 20 10 FFCDHM CN1CC[C@H](NC(=O)NCc2c([O-])cccc2F)[C@@H]1c1ccc(F)cc1 ZINC001230458901 1037286542 /nfs/dbraw/zinc/28/65/42/1037286542.db2.gz UUORFWYFJOPWBH-WMZOPIPTSA-N -1 3 361.392 2.915 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001231449107 1037589727 /nfs/dbraw/zinc/58/97/27/1037589727.db2.gz DYEXKYPMMPGZTJ-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001231449107 1037589742 /nfs/dbraw/zinc/58/97/42/1037589742.db2.gz DYEXKYPMMPGZTJ-LJQANCHMSA-N -1 3 372.446 2.781 20 10 FFCDHM CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452665 1037592055 /nfs/dbraw/zinc/59/20/55/1037592055.db2.gz QZRYMUKSJQJMQD-UHFFFAOYSA-N -1 3 364.442 2.922 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c([O-])c1 ZINC001231454474 1037595659 /nfs/dbraw/zinc/59/56/59/1037595659.db2.gz YBDZMBXBQHSFHV-INIZCTEOSA-N -1 3 367.405 2.712 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c([O-])c1 ZINC001231454474 1037595667 /nfs/dbraw/zinc/59/56/67/1037595667.db2.gz YBDZMBXBQHSFHV-INIZCTEOSA-N -1 3 367.405 2.712 20 10 FFCDHM O=C([O-])c1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)c(O)c1 ZINC001231455463 1037597943 /nfs/dbraw/zinc/59/79/43/1037597943.db2.gz OUNDCDKJEVOCSX-UHFFFAOYSA-N -1 3 363.417 2.961 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCCN(C(=O)C3CCCCC3)CC2)c1 ZINC001231566162 1037690223 /nfs/dbraw/zinc/69/02/23/1037690223.db2.gz SCBMDIBCAVKAAH-UHFFFAOYSA-N -1 3 360.454 2.705 20 10 FFCDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)cc1Cl ZINC001231869710 1037964109 /nfs/dbraw/zinc/96/41/09/1037964109.db2.gz VFLTYMDKHOTJJG-FDQGKXFDSA-N -1 3 366.889 2.858 20 10 FFCDHM CCn1nnc2c1CCN(Cc1ccc3ccccc3c1[O-])[C@@H]2COC ZINC001231877948 1037971706 /nfs/dbraw/zinc/97/17/06/1037971706.db2.gz BDBXJCPMFABULF-GOSISDBHSA-N -1 3 352.438 2.903 20 10 FFCDHM CCOC[C@@H]1CN(Cc2ccc3ccccc3c2[O-])Cc2nnn(C)c21 ZINC001231880489 1037975101 /nfs/dbraw/zinc/97/51/01/1037975101.db2.gz NNPVHHSVGKWPDN-INIZCTEOSA-N -1 3 352.438 2.810 20 10 FFCDHM O=C1N(C2COC2)CC[C@@]12CCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277994795 1038179341 /nfs/dbraw/zinc/17/93/41/1038179341.db2.gz GGGVECNAVICKLQ-KRWDZBQOSA-N -1 3 371.264 2.665 20 10 FFCDHM Cc1cc2n(n1)c(=O)cc(C)n2Cc1cc(C)cc(Br)c1[O-] ZINC001236666927 1038181642 /nfs/dbraw/zinc/18/16/42/1038181642.db2.gz XPPDNFIJKLMPLH-UHFFFAOYSA-N -1 3 362.227 2.938 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236980097 1038394417 /nfs/dbraw/zinc/39/44/17/1038394417.db2.gz HULKNVFPSGJJSX-SNVBAGLBSA-N -1 3 357.145 2.630 20 10 FFCDHM COc1cc([O-])c(CN(C)Cc2cnc(C)nc2)c(Br)c1 ZINC001237066919 1038431479 /nfs/dbraw/zinc/43/14/79/1038431479.db2.gz DRAYCUYHNLPAAK-UHFFFAOYSA-N -1 3 352.232 2.894 20 10 FFCDHM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(Cl)c2Cl)O1 ZINC001237081616 1038438987 /nfs/dbraw/zinc/43/89/87/1038438987.db2.gz ZPGRGKFPNNKZGI-BNOWGMLFSA-N -1 3 359.253 2.519 20 10 FFCDHM CC1=NC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)C(=O)N1C ZINC001237085759 1038439986 /nfs/dbraw/zinc/43/99/86/1038439986.db2.gz HNJKYGYIIMHLQC-UHFFFAOYSA-N -1 3 356.253 2.924 20 10 FFCDHM CN(CCCN1CCCC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251409431 1039114741 /nfs/dbraw/zinc/11/47/41/1039114741.db2.gz UBYJBVWIGRIPGM-UHFFFAOYSA-N -1 3 367.298 2.805 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(Nc2ccncc2OC)c1 ZINC001211263101 1040048263 /nfs/dbraw/zinc/04/82/63/1040048263.db2.gz GESXVNHKOJQSEB-UHFFFAOYSA-N -1 3 353.172 2.510 20 10 FFCDHM COC1(CC(=O)N2CC3(CN(Cc4ccc(Cl)cc4[O-])C3)C2)CCC1 ZINC001278554680 1041133879 /nfs/dbraw/zinc/13/38/79/1041133879.db2.gz ZAVPBVVWOWSAQD-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM O=c1cccc(CN2CC[C@H]3[C@@H]2CCN3Cc2c([O-])cc(F)cc2F)[nH]1 ZINC001278606342 1041397050 /nfs/dbraw/zinc/39/70/50/1041397050.db2.gz WQGOXVPFDJOOSM-IRXDYDNUSA-N -1 3 361.392 2.620 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001262744161 1041827493 /nfs/dbraw/zinc/82/74/93/1041827493.db2.gz HIZRXAXZDUCDKW-UHFFFAOYSA-N -1 3 370.380 2.695 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001262927134 1041967753 /nfs/dbraw/zinc/96/77/53/1041967753.db2.gz YSZBPNONRVCNBF-YPMHNXCESA-N -1 3 371.466 2.803 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3ncccn3)CC2)cc1Br ZINC001237676281 1043304623 /nfs/dbraw/zinc/30/46/23/1043304623.db2.gz HUPKYSPEIXYTLB-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001237777955 1043351059 /nfs/dbraw/zinc/35/10/59/1043351059.db2.gz QPUMDJPDHIEQJT-BXUZGUMPSA-N -1 3 373.234 2.998 20 10 FFCDHM COc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c([O-])c1Cl ZINC001279665367 1043430460 /nfs/dbraw/zinc/43/04/60/1043430460.db2.gz JOAJSNLAMVKGTD-IYBDPMFKSA-N -1 3 366.889 2.882 20 10 FFCDHM CNC(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)ccc1Cl ZINC001310159273 1043646110 /nfs/dbraw/zinc/64/61/10/1043646110.db2.gz CSWDRZSAIPDSSS-UHFFFAOYSA-N -1 3 351.765 2.866 20 10 FFCDHM CCN(C(=O)[C@H]1COCCC12CN(Cc1c([O-])cccc1F)C2)C(C)C ZINC001280009557 1044084866 /nfs/dbraw/zinc/08/48/66/1044084866.db2.gz UTGOAEXZFMNUMV-MRXNPFEDSA-N -1 3 364.461 2.627 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC001332025545 1048216408 /nfs/dbraw/zinc/21/64/08/1048216408.db2.gz QDLBPMNKMOZBRX-ZDUSSCGKSA-N -1 3 374.250 2.657 20 10 FFCDHM O=C(NCc1cccc(OCC(F)(F)F)n1)NCc1c([O-])cccc1F ZINC001332784085 1048561005 /nfs/dbraw/zinc/56/10/05/1048561005.db2.gz RLZKZEJZMRSFFF-UHFFFAOYSA-N -1 3 373.306 2.867 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC2(COC2)C1 ZINC001340356492 1050752270 /nfs/dbraw/zinc/75/22/70/1050752270.db2.gz CVLBENNDZNQIDP-UHFFFAOYSA-N -1 3 357.439 2.507 20 10 FFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cc3c(cc2OC(F)F)OCO3)c1 ZINC001308328603 1052446173 /nfs/dbraw/zinc/44/61/73/1052446173.db2.gz JIFKRJJUKFTRFW-UHFFFAOYSA-N -1 3 368.292 2.920 20 10 FFCDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])c(Br)cc1O ZINC001452869043 1059311186 /nfs/dbraw/zinc/31/11/86/1059311186.db2.gz YICDOZRJXYRZBP-UHFFFAOYSA-N -1 3 368.183 2.505 20 10 FFCDHM Cc1sc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nc1C(=O)[O-] ZINC001355416701 1060223371 /nfs/dbraw/zinc/22/33/71/1060223371.db2.gz LMTPHNPOSQIPNY-CYBMUJFWSA-N -1 3 374.510 2.752 20 10 FFCDHM COc1ccc(CN(CCO)Cc2cc(F)c(F)cc2[O-])c(OC)c1 ZINC001461985735 1061470386 /nfs/dbraw/zinc/47/03/86/1061470386.db2.gz FQSUYKLEAVUOOV-UHFFFAOYSA-N -1 3 353.365 2.682 20 10 FFCDHM Cn1cc(-c2ccccc2CNC(=O)NCc2c([O-])cccc2F)cn1 ZINC001478371348 1061989100 /nfs/dbraw/zinc/98/91/00/1061989100.db2.gz QYBUDNXZQQWWQI-UHFFFAOYSA-N -1 3 354.385 2.931 20 10 FFCDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccc(O)cc2O)s1 ZINC001469164056 1064102071 /nfs/dbraw/zinc/10/20/71/1064102071.db2.gz VSSSRVRJVBTOAW-UHFFFAOYSA-N -1 3 365.411 2.831 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001471975951 1064875486 /nfs/dbraw/zinc/87/54/86/1064875486.db2.gz OCSKBDZUXUWDNW-UHFFFAOYSA-N -1 3 356.256 2.971 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001471974607 1064875864 /nfs/dbraw/zinc/87/58/64/1064875864.db2.gz HEJTVPRLMLLUSE-UHFFFAOYSA-N -1 3 366.414 2.613 20 10 FFCDHM Cn1ccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1F ZINC001472277761 1064997422 /nfs/dbraw/zinc/99/74/22/1064997422.db2.gz RACPIGFKEQPLFF-HNNXBMFYSA-N -1 3 359.332 2.629 20 10 FFCDHM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n1 ZINC001587412784 1079788706 /nfs/dbraw/zinc/78/87/06/1079788706.db2.gz CUYPPNPOSBFCNU-UHFFFAOYSA-N -1 3 352.394 2.915 20 10 FFCDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccccc1O ZINC001589755382 1080708756 /nfs/dbraw/zinc/70/87/56/1080708756.db2.gz QQDVWCXBUYCPBH-UHFFFAOYSA-N -1 3 368.397 2.681 20 10 FFCDHM CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001589755072 1080709536 /nfs/dbraw/zinc/70/95/36/1080709536.db2.gz XCFNAUIXNKFBND-UHFFFAOYSA-N -1 3 366.425 2.729 20 10 FFCDHM CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001589755072 1080709538 /nfs/dbraw/zinc/70/95/38/1080709538.db2.gz XCFNAUIXNKFBND-UHFFFAOYSA-N -1 3 366.425 2.729 20 10 FFCDHM C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962162 1080905198 /nfs/dbraw/zinc/90/51/98/1080905198.db2.gz HCLBWWGDNUVMRP-OUJBWJOFSA-N -1 3 371.363 2.723 20 10 FFCDHM C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589999583 1080929450 /nfs/dbraw/zinc/92/94/50/1080929450.db2.gz XRWRRENEMQIAJM-LZWOXQAQSA-N -1 3 367.453 2.778 20 10 FFCDHM Cc1cc(Br)cc(C[NH2+][C@H](Cc2cncs2)C(=O)[O-])c1[O-] ZINC001607563634 1126234085 /nfs/dbraw/zinc/23/40/85/1126234085.db2.gz RYLWRHXLNTWKIV-GFCCVEGCSA-N -1 3 371.256 2.705 20 10 FFCDHM C[C@@H](CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000067177943 506784870 /nfs/dbraw/zinc/78/48/70/506784870.db2.gz YKJZSYGFELQGOL-ZDUSSCGKSA-N -1 3 362.451 2.639 20 10 FFCDHM CN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1[O-] ZINC000109773087 507986059 /nfs/dbraw/zinc/98/60/59/507986059.db2.gz LSYUUYANRRLRMF-UHFFFAOYSA-N -1 3 353.422 2.590 20 10 FFCDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109770808 507986545 /nfs/dbraw/zinc/98/65/45/507986545.db2.gz NYBDYPQJNKDSFQ-LBPRGKRZSA-N -1 3 359.382 2.768 20 10 FFCDHM O=C1[C@H](N(Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1CC(F)(F)F ZINC000111233016 508081078 /nfs/dbraw/zinc/08/10/78/508081078.db2.gz RUNUBPYZAVVBQB-LSDHHAIUSA-N -1 3 372.387 2.536 20 10 FFCDHM CC(C)CC[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092762098 508100321 /nfs/dbraw/zinc/10/03/21/508100321.db2.gz OCSOFNUYHKZUJT-CQSZACIVSA-N -1 3 354.472 2.805 20 10 FFCDHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094153454 508170743 /nfs/dbraw/zinc/17/07/43/508170743.db2.gz VJMBCNDXABPYOD-XUJVJEKNSA-N -1 3 352.456 2.557 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=COCCC1 ZINC000134258555 508514336 /nfs/dbraw/zinc/51/43/36/508514336.db2.gz RQKHXCGWXXVXOQ-INIZCTEOSA-N -1 3 350.846 2.821 20 10 FFCDHM CCCOc1ccc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c([O-])c1 ZINC000122622866 508563907 /nfs/dbraw/zinc/56/39/07/508563907.db2.gz DZVNCVMTEKSESB-IBGZPJMESA-N -1 3 359.470 2.895 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3sccc32)c1 ZINC000137366831 508753196 /nfs/dbraw/zinc/75/31/96/508753196.db2.gz ADVICXIXTYORGF-CYBMUJFWSA-N -1 3 366.464 2.633 20 10 FFCDHM Cc1nc([C@H]2COCCN2Cc2cc(Br)cc(C)c2[O-])no1 ZINC000369460579 512420202 /nfs/dbraw/zinc/42/02/02/512420202.db2.gz DFHFCOQWHLEGAM-CYBMUJFWSA-N -1 3 368.231 2.728 20 10 FFCDHM CC[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)N1CCOCC1 ZINC000185665606 509294676 /nfs/dbraw/zinc/29/46/76/509294676.db2.gz CIOQUONJXVQKET-ZWNOBZJWSA-N -1 3 361.269 2.987 20 10 FFCDHM C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)ccc1[O-] ZINC000189162828 509444399 /nfs/dbraw/zinc/44/43/99/509444399.db2.gz UWYFKEDJIFHETP-LBPRGKRZSA-N -1 3 369.870 2.662 20 10 FFCDHM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193007324 509735324 /nfs/dbraw/zinc/73/53/24/509735324.db2.gz FKANWXICWNZDKG-UHFFFAOYSA-N -1 3 358.369 2.728 20 10 FFCDHM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000186760059 509892097 /nfs/dbraw/zinc/89/20/97/509892097.db2.gz CAFBOTICUHTDMW-UHFFFAOYSA-N -1 3 374.462 2.568 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCC(=O)N(C)C ZINC000268468216 509950674 /nfs/dbraw/zinc/95/06/74/509950674.db2.gz FPSUVMGQXHBQEX-UHFFFAOYSA-N -1 3 371.275 2.762 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000187174616 510104041 /nfs/dbraw/zinc/10/40/41/510104041.db2.gz LLKLKNMALPCSJB-AWEZNQCLSA-N -1 3 366.417 2.854 20 10 FFCDHM Cc1cc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)nc(C(C)C)n1 ZINC000177663792 510187653 /nfs/dbraw/zinc/18/76/53/510187653.db2.gz GURFDKLYWPEXFV-UHFFFAOYSA-N -1 3 370.453 2.590 20 10 FFCDHM C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187800911 510444233 /nfs/dbraw/zinc/44/42/33/510444233.db2.gz PJZUSPOQENYBDL-KWQFWETISA-N -1 3 352.303 2.874 20 10 FFCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000184703114 510472633 /nfs/dbraw/zinc/47/26/33/510472633.db2.gz WGVOSELQIGMMGZ-CABCVRRESA-N -1 3 367.829 2.972 20 10 FFCDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([O-])c1O ZINC000181837096 510619748 /nfs/dbraw/zinc/61/97/48/510619748.db2.gz QIOGZHVDXBEJMW-UHFFFAOYSA-N -1 3 374.824 2.658 20 10 FFCDHM CC[C@@H](N[C@@H](C(N)=O)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000297428711 510942336 /nfs/dbraw/zinc/94/23/36/510942336.db2.gz VDBLPHQDMBGLBN-IUODEOHRSA-N -1 3 364.243 2.817 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CSCCS1 ZINC000277499886 510964798 /nfs/dbraw/zinc/96/47/98/510964798.db2.gz VKQKHZCHWHKVFN-LBPRGKRZSA-N -1 3 372.899 2.658 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294245079 511003247 /nfs/dbraw/zinc/00/32/47/511003247.db2.gz NAVIFHDMTPJDGR-JTQLQIEISA-N -1 3 372.849 2.944 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C3CCOCC3)C[C@H]2C)c1[O-] ZINC000278677815 511003403 /nfs/dbraw/zinc/00/34/03/511003403.db2.gz OOVJMGCJWOSRIL-CYBMUJFWSA-N -1 3 366.889 2.933 20 10 FFCDHM CN(C)C(=O)C[C@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccc(Cl)cc21 ZINC000279267511 511023521 /nfs/dbraw/zinc/02/35/21/511023521.db2.gz KATQJCMNOOINHK-NSHDSACASA-N -1 3 374.824 2.974 20 10 FFCDHM CC[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1[O-] ZINC000287507358 511051919 /nfs/dbraw/zinc/05/19/19/511051919.db2.gz NZNSNFUTAMJPSH-KRWDZBQOSA-N -1 3 367.442 2.538 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1COc2ccccc21 ZINC000288655908 511082210 /nfs/dbraw/zinc/08/22/10/511082210.db2.gz FUKHEVNPICHLQG-ZDUSSCGKSA-N -1 3 372.808 2.986 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c([O-])c1O ZINC000282800278 511116506 /nfs/dbraw/zinc/11/65/06/511116506.db2.gz OBBABEZPQZHFPV-CQSZACIVSA-N -1 3 355.438 2.959 20 10 FFCDHM CCN(Cc1noc(CCOC)n1)Cc1cc(Br)ccc1[O-] ZINC000290085913 511126758 /nfs/dbraw/zinc/12/67/58/511126758.db2.gz VMDAZSCTTWESRN-UHFFFAOYSA-N -1 3 370.247 2.749 20 10 FFCDHM COc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000290523247 511144509 /nfs/dbraw/zinc/14/45/09/511144509.db2.gz QDNLRJMLNGHXNT-ZDUSSCGKSA-N -1 3 353.827 2.672 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000290800607 511152183 /nfs/dbraw/zinc/15/21/83/511152183.db2.gz YDEAUFFRCBANAV-JTQLQIEISA-N -1 3 371.315 2.953 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1cnccn1 ZINC000279895543 511256617 /nfs/dbraw/zinc/25/66/17/511256617.db2.gz MIDFWEVNMMOEJL-UHFFFAOYSA-N -1 3 364.243 2.926 20 10 FFCDHM C[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439967 511526438 /nfs/dbraw/zinc/52/64/38/511526438.db2.gz MPWSWBSCARVTJP-LKFCYVNXSA-N -1 3 363.767 2.880 20 10 FFCDHM COC(=O)COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273544146 511530867 /nfs/dbraw/zinc/53/08/67/511530867.db2.gz ZCZQLLRCPYXWOP-GFCCVEGCSA-N -1 3 360.366 2.703 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000273524487 511531211 /nfs/dbraw/zinc/53/12/11/511531211.db2.gz UWSHBJACHLCNMW-VIFPVBQESA-N -1 3 357.332 2.782 20 10 FFCDHM COc1ccc2c(c1)OCC[C@H]2NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365806522 511661822 /nfs/dbraw/zinc/66/18/22/511661822.db2.gz OYOLXMGTOKLRTI-CQSZACIVSA-N -1 3 360.366 2.931 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000281256950 511777162 /nfs/dbraw/zinc/77/71/62/511777162.db2.gz QNWXVANQFVKAKQ-NEPJUHHUSA-N -1 3 367.829 2.553 20 10 FFCDHM CN(C)c1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1F ZINC000281356432 511816581 /nfs/dbraw/zinc/81/65/81/511816581.db2.gz UOOJOTRPVHIGDP-UHFFFAOYSA-N -1 3 361.383 2.782 20 10 FFCDHM Cc1cc(Br)cc([C@H](C)N[C@@H](C(N)=O)c2ccccn2)c1[O-] ZINC000296633373 511829637 /nfs/dbraw/zinc/82/96/37/511829637.db2.gz BLTLWVRWYYWBHR-IINYFYTJSA-N -1 3 364.243 2.735 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1C[C@]12CCOC2 ZINC000364094969 511956388 /nfs/dbraw/zinc/95/63/88/511956388.db2.gz HQJJJBAUMBUFCQ-BBRMVZONSA-N -1 3 354.244 2.930 20 10 FFCDHM COc1c([O-])c(CNc2cn(C)nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000375734746 512478645 /nfs/dbraw/zinc/47/86/45/512478645.db2.gz XTKDFRNCZHALIY-UHFFFAOYSA-N -1 3 355.354 2.717 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000373746316 512484777 /nfs/dbraw/zinc/48/47/77/512484777.db2.gz RYQIXQRKMCBGEO-CQSZACIVSA-N -1 3 351.406 3.000 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000370032496 512735619 /nfs/dbraw/zinc/73/56/19/512735619.db2.gz LKNYAGDHBFALDR-BDJLRTHQSA-N -1 3 372.259 2.543 20 10 FFCDHM CC(C)n1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000367968722 512745384 /nfs/dbraw/zinc/74/53/84/512745384.db2.gz RSDLUTHWTVNVJT-MRXNPFEDSA-N -1 3 363.893 2.972 20 10 FFCDHM COC[C@@]1(NCc2cc(F)cc(C(C)=O)c2[O-])COc2ccccc2C1 ZINC000528746752 516667559 /nfs/dbraw/zinc/66/75/59/516667559.db2.gz KFURKRGFOMOJRW-HXUWFJFHSA-N -1 3 359.397 2.844 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821198949 606515072 /nfs/dbraw/zinc/51/50/72/606515072.db2.gz YWDUZMRSKDWOQB-UHFFFAOYSA-N -1 3 364.453 2.572 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821198949 606515074 /nfs/dbraw/zinc/51/50/74/606515074.db2.gz YWDUZMRSKDWOQB-UHFFFAOYSA-N -1 3 364.453 2.572 20 10 FFCDHM C[C@H](CC1CCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000192554076 729452392 /nfs/dbraw/zinc/45/23/92/729452392.db2.gz PKXIJCOEEUSUBI-GFCCVEGCSA-N -1 3 354.472 2.852 20 10 FFCDHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000779028341 738430846 /nfs/dbraw/zinc/43/08/46/738430846.db2.gz HFFXNQPYMBQTGY-LRDDRELGSA-N -1 3 354.422 2.645 20 10 FFCDHM C[C@](CO)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(O)c1 ZINC000862432631 730702246 /nfs/dbraw/zinc/70/22/46/730702246.db2.gz LKPYDCHINDKWEG-MRXNPFEDSA-N -1 3 352.774 2.657 20 10 FFCDHM CN(C)Cc1csc(CNCc2cccc(Br)c2[O-])n1 ZINC000722379967 734384144 /nfs/dbraw/zinc/38/41/44/734384144.db2.gz FCLGTZJZTKQKDA-UHFFFAOYSA-N -1 3 356.289 2.963 20 10 FFCDHM COc1cc[n-]c(=NNC(=S)Nc2ccc(Br)cc2)n1 ZINC000783722951 738829027 /nfs/dbraw/zinc/82/90/27/738829027.db2.gz PADXZHNUHIAERE-UHFFFAOYSA-N -1 3 354.233 2.561 20 10 FFCDHM O=C1CC2(CN1)CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000894032265 734789920 /nfs/dbraw/zinc/78/99/20/734789920.db2.gz GAEASTMSBYHPHQ-UHFFFAOYSA-N -1 3 373.678 2.910 20 10 FFCDHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000734017143 734867920 /nfs/dbraw/zinc/86/79/20/734867920.db2.gz CEYFFHUOZVMHLB-QWHCGFSZSA-N -1 3 354.472 2.710 20 10 FFCDHM C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Br)cc(F)c1[O-] ZINC000894747203 734909250 /nfs/dbraw/zinc/90/92/50/734909250.db2.gz IRWFWFNGGILBRF-FZMZJTMJSA-N -1 3 373.266 2.589 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000787422131 739135875 /nfs/dbraw/zinc/13/58/75/739135875.db2.gz AIACUODFUOXTHP-ZKYQVNSYSA-N -1 3 353.260 2.549 20 10 FFCDHM CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000754153869 736131427 /nfs/dbraw/zinc/13/14/27/736131427.db2.gz JWIWUPYFVMGHGB-NPMXOYFQSA-N -1 3 353.875 2.568 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000769524659 737539159 /nfs/dbraw/zinc/53/91/59/737539159.db2.gz GRQLRCYQJIDMRT-AWEZNQCLSA-N -1 3 356.260 2.925 20 10 FFCDHM COc1cc[n-]c(=NNC(=S)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000914704198 737590463 /nfs/dbraw/zinc/59/04/63/737590463.db2.gz FZQFLISFMXOUKJ-UHFFFAOYSA-N -1 3 359.333 2.697 20 10 FFCDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773084303 737869654 /nfs/dbraw/zinc/86/96/54/737869654.db2.gz ONZDDQMGHTYHLK-JTQLQIEISA-N -1 3 355.441 2.762 20 10 FFCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000786961455 739093565 /nfs/dbraw/zinc/09/35/65/739093565.db2.gz ZKXGDGXJNYOWCN-SECBINFHSA-N -1 3 356.425 2.616 20 10 FFCDHM Cc1ccnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000792238337 739654249 /nfs/dbraw/zinc/65/42/49/739654249.db2.gz QCQMYBIXUXQILV-HNNXBMFYSA-N -1 3 360.845 2.538 20 10 FFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C)cc1F ZINC000793396285 739777208 /nfs/dbraw/zinc/77/72/08/739777208.db2.gz XUEZBAOUYGQMNH-UHFFFAOYSA-N -1 3 353.371 2.736 20 10 FFCDHM CN1CCN(Cc2cc(Cl)ccc2[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604945 739798843 /nfs/dbraw/zinc/79/88/43/739798843.db2.gz SVHXSUZWCRHKQI-HNNXBMFYSA-N -1 3 369.893 2.686 20 10 FFCDHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(O)c1[O-] ZINC000799033629 740382728 /nfs/dbraw/zinc/38/27/28/740382728.db2.gz BAYPDIISMPYYTQ-AWEZNQCLSA-N -1 3 363.797 2.655 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC(=O)N(C)C)CC2)c1[O-] ZINC000815189044 741910279 /nfs/dbraw/zinc/91/02/79/741910279.db2.gz GFLSFRODIUFMHL-UHFFFAOYSA-N -1 3 354.834 2.911 20 10 FFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000824943907 743183840 /nfs/dbraw/zinc/18/38/40/743183840.db2.gz VYGVYJYGDZPXES-IJEWVQPXSA-N -1 3 356.260 2.923 20 10 FFCDHM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000825634575 743304558 /nfs/dbraw/zinc/30/45/58/743304558.db2.gz OSJMPTRANAVIAQ-ZIAGYGMSSA-N -1 3 354.244 2.725 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCC(Oc2cnccn2)CC1 ZINC000825716093 743317209 /nfs/dbraw/zinc/31/72/09/743317209.db2.gz NUTSCFWFZODBBN-UHFFFAOYSA-N -1 3 364.243 2.988 20 10 FFCDHM Cc1cc([O-])c(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)cc1Cl ZINC000826003337 743354060 /nfs/dbraw/zinc/35/40/60/743354060.db2.gz KQDXLUAGDODKFU-UGSOOPFHSA-N -1 3 363.841 2.936 20 10 FFCDHM CCC(=O)C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000827095199 743504654 /nfs/dbraw/zinc/50/46/54/743504654.db2.gz CCEPKWSJYVEMJQ-HNNXBMFYSA-N -1 3 364.873 2.886 20 10 FFCDHM Cc1nccnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830543656 745378304 /nfs/dbraw/zinc/37/83/04/745378304.db2.gz ASEUNZWOZWDUGY-HNNXBMFYSA-N -1 3 360.845 2.538 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000844124761 747973831 /nfs/dbraw/zinc/97/38/31/747973831.db2.gz WBSCZVVRESYRJO-OAHLLOKOSA-N -1 3 352.456 2.559 20 10 FFCDHM COc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1[N-]S(C)(=O)=O ZINC000846158885 748417322 /nfs/dbraw/zinc/41/73/22/748417322.db2.gz GHUABOVQQWYJJX-LLVKDONJSA-N -1 3 366.439 2.954 20 10 FFCDHM COc1cc(N(C)Cc2ccccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000737054844 944940006 /nfs/dbraw/zinc/94/00/06/944940006.db2.gz XUJSIOOHBYLQEH-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1cc(N(C)Cc2ccccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000737054844 944940013 /nfs/dbraw/zinc/94/00/13/944940013.db2.gz XUJSIOOHBYLQEH-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC001593708831 954167313 /nfs/dbraw/zinc/16/73/13/954167313.db2.gz FQUBDSHVFFEMJB-GOSISDBHSA-N -1 3 370.453 2.875 20 10 FFCDHM COc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c([O-])c1 ZINC000098093719 1013478255 /nfs/dbraw/zinc/47/82/55/1013478255.db2.gz JOYITCWUBGWPLU-UHFFFAOYSA-N -1 3 370.449 2.540 20 10 FFCDHM CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922076738 987617144 /nfs/dbraw/zinc/61/71/44/987617144.db2.gz NBIOQFSRMGCJLQ-LBPRGKRZSA-N -1 3 367.421 2.588 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000922377917 988522191 /nfs/dbraw/zinc/52/21/91/988522191.db2.gz GSERGPPOTWNBJI-CQSZACIVSA-N -1 3 372.400 2.637 20 10 FFCDHM COc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c(OC)c1 ZINC000179948995 991380283 /nfs/dbraw/zinc/38/02/83/991380283.db2.gz BRYCAIMTYNBKRJ-UHFFFAOYSA-N -1 3 374.412 2.507 20 10 FFCDHM [O-]c1c(CNc2nccc(N3CCOCC3)n2)cc(Cl)c2cccnc12 ZINC001168527393 993223665 /nfs/dbraw/zinc/22/36/65/993223665.db2.gz GBHOLMLJZIVFJO-UHFFFAOYSA-N -1 3 371.828 2.833 20 10 FFCDHM CN1CCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)C1=O ZINC001144307925 998305898 /nfs/dbraw/zinc/30/58/98/998305898.db2.gz LVDIAUFLTKUSAL-UHFFFAOYSA-N -1 3 371.250 2.738 20 10 FFCDHM COC(=O)C[C@@H](C)CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144381179 998442479 /nfs/dbraw/zinc/44/24/79/998442479.db2.gz JGHZAJYXEIIIDW-JTQLQIEISA-N -1 3 350.802 2.799 20 10 FFCDHM CCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000846242278 1000242059 /nfs/dbraw/zinc/24/20/59/1000242059.db2.gz QXKZBBNSTGELCU-LLVKDONJSA-N -1 3 358.373 2.855 20 10 FFCDHM C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148212080 1001067813 /nfs/dbraw/zinc/06/78/13/1001067813.db2.gz LAFITHYGFCUWFW-QWHCGFSZSA-N -1 3 364.442 2.863 20 10 FFCDHM C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148212081 1001068123 /nfs/dbraw/zinc/06/81/23/1001068123.db2.gz LAFITHYGFCUWFW-STQMWFEESA-N -1 3 364.442 2.863 20 10 FFCDHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001148214046 1001069204 /nfs/dbraw/zinc/06/92/04/1001069204.db2.gz NQQIDIAFWUVEFZ-HNNXBMFYSA-N -1 3 372.465 2.647 20 10 FFCDHM COc1cccc([C@@H]2CSCCN2C(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148588292 1001176610 /nfs/dbraw/zinc/17/66/10/1001176610.db2.gz RDZYOTDBNSQWAE-AWEZNQCLSA-N -1 3 361.419 2.742 20 10 FFCDHM COc1ccc2cccc(CCNC(=O)c3cc(O)c([O-])c(O)c3)c2c1 ZINC001148589980 1001176782 /nfs/dbraw/zinc/17/67/82/1001176782.db2.gz UDWUATPHCPGTKW-UHFFFAOYSA-N -1 3 353.374 2.938 20 10 FFCDHM COc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])N2CCCC2)cc1 ZINC000790065258 1002274870 /nfs/dbraw/zinc/27/48/70/1002274870.db2.gz KPWVTUCCDCRCBU-INIZCTEOSA-N -1 3 374.412 2.812 20 10 FFCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OC[C@@H]2CCCO2)c1 ZINC000790875864 1002506190 /nfs/dbraw/zinc/50/61/90/1002506190.db2.gz FKZJXBCLIMINCB-HNNXBMFYSA-N -1 3 357.406 2.894 20 10 FFCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1NC(C)=O ZINC000774927177 1003066956 /nfs/dbraw/zinc/06/69/56/1003066956.db2.gz LWEGPFUORAPAAN-UHFFFAOYSA-N -1 3 361.354 2.888 20 10 FFCDHM COc1ccc([N+](=O)[O-])cc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775011805 1003291906 /nfs/dbraw/zinc/29/19/06/1003291906.db2.gz DSSJOCVSEUWXHK-UHFFFAOYSA-N -1 3 363.326 2.516 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC23CCCCC3)c1 ZINC000855204038 1007174080 /nfs/dbraw/zinc/17/40/80/1007174080.db2.gz TXDBNPJKMYVRSZ-MRXNPFEDSA-N -1 3 366.483 2.997 20 10 FFCDHM CC[C@](C)(C(=O)OC)N(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CC1 ZINC000822503648 1008658636 /nfs/dbraw/zinc/65/86/36/1008658636.db2.gz JXCPLPGULPUHMB-GOSISDBHSA-N -1 3 366.414 2.863 20 10 FFCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000863941935 1010363043 /nfs/dbraw/zinc/36/30/43/1010363043.db2.gz NMNUBHGOOZYKQL-UHFFFAOYSA-N -1 3 369.465 2.625 20 10 FFCDHM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC000928709967 1019083515 /nfs/dbraw/zinc/08/35/15/1019083515.db2.gz OLCXTLVGUWWXCM-MRXNPFEDSA-N -1 3 360.385 2.505 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000929523218 1019479862 /nfs/dbraw/zinc/47/98/62/1019479862.db2.gz GRYYJHOXTZXXKK-KRWDZBQOSA-N -1 3 373.384 2.971 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903400408 1020823965 /nfs/dbraw/zinc/82/39/65/1020823965.db2.gz UPJZZWSPKGPNMT-WDEREUQCSA-N -1 3 368.359 2.836 20 10 FFCDHM COC(=O)N1CCCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001116525979 1021263614 /nfs/dbraw/zinc/26/36/14/1021263614.db2.gz LTTKRGIEOWDPMZ-UHFFFAOYSA-N -1 3 357.248 2.737 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000750821780 1022586262 /nfs/dbraw/zinc/58/62/62/1022586262.db2.gz BUPNIMFIZJNFFA-OAHLLOKOSA-N -1 3 361.373 2.568 20 10 FFCDHM Cc1cc(O[C@H]2CNCC(F)(F)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218273759 1033078271 /nfs/dbraw/zinc/07/82/71/1033078271.db2.gz BXTUBZPJUKIDBD-LLVKDONJSA-N -1 3 373.355 2.852 20 10 FFCDHM COc1cccc(CC(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000092536202 1027358468 /nfs/dbraw/zinc/35/84/68/1027358468.db2.gz YBSNNDNGWKBCGD-UHFFFAOYSA-N -1 3 374.868 2.941 20 10 FFCDHM Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cc(F)c(F)cc2[O-])n1 ZINC001142517545 1030565800 /nfs/dbraw/zinc/56/58/00/1030565800.db2.gz QWBAAHFLJKKTDF-ZWKOTPCHSA-N -1 3 373.403 2.749 20 10 FFCDHM COC[C@@H]1CN(Cc2cc(Br)ccc2[O-])Cc2ncn(C)c21 ZINC001203640056 1030799918 /nfs/dbraw/zinc/79/99/18/1030799918.db2.gz PSGNLSZJOLPBJI-LBPRGKRZSA-N -1 3 366.259 2.634 20 10 FFCDHM O=C1[C@@H]2CCCN(Cc3cccc(F)c3[O-])[C@H]2C(=O)N1Cc1ccccc1 ZINC001138128363 1033813723 /nfs/dbraw/zinc/81/37/23/1033813723.db2.gz FRJAIAJAEHRSGD-SJLPKXTDSA-N -1 3 368.408 2.681 20 10 FFCDHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277095961 1034507264 /nfs/dbraw/zinc/50/72/64/1034507264.db2.gz MNRQVAMUFUTMAA-QGZVFWFLSA-N -1 3 360.351 2.893 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001277097475 1034516512 /nfs/dbraw/zinc/51/65/12/1034516512.db2.gz HSFCQFRIUCHAJC-DJJJIMSYSA-N -1 3 368.424 2.520 20 10 FFCDHM Cc1cccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)n1 ZINC001139126466 1034956446 /nfs/dbraw/zinc/95/64/46/1034956446.db2.gz IMABQMRMJXFZFV-UHFFFAOYSA-N -1 3 365.433 2.833 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(C)c2ncccc2C1 ZINC001139127786 1034958263 /nfs/dbraw/zinc/95/82/63/1034958263.db2.gz PCBNMDLBUMIVGB-UHFFFAOYSA-N -1 3 351.406 2.654 20 10 FFCDHM O=C(Nc1cccnc1)c1noc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001140055706 1035325052 /nfs/dbraw/zinc/32/50/52/1035325052.db2.gz QDUQCQTXFSVUHC-UHFFFAOYSA-N -1 3 368.368 2.725 20 10 FFCDHM CN(C)c1ccc(/C=C\CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000835025369 1035488992 /nfs/dbraw/zinc/48/89/92/1035488992.db2.gz IOLQGQAYFGQZAC-WAYWQWQTSA-N -1 3 365.477 2.929 20 10 FFCDHM CCOc1cccc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)n1 ZINC001232262720 1035534223 /nfs/dbraw/zinc/53/42/23/1035534223.db2.gz NNGYLDYKYYAVOT-UHFFFAOYSA-N -1 3 363.845 2.867 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3ccc(Cl)nn3)CC2)cc1Cl ZINC001232267899 1035538580 /nfs/dbraw/zinc/53/85/80/1035538580.db2.gz JHWYJLUJVNOEDJ-UHFFFAOYSA-N -1 3 369.252 2.820 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2ncn(C)c21 ZINC001232268776 1035541828 /nfs/dbraw/zinc/54/18/28/1035541828.db2.gz UWLNIAKDEZOSRC-ZDUSSCGKSA-N -1 3 365.861 2.924 20 10 FFCDHM COc1cc(O[C@H](C)CN(C)C)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227656944 1035659654 /nfs/dbraw/zinc/65/96/54/1035659654.db2.gz GENDKUMDNDDGQP-SNVBAGLBSA-N -1 3 359.378 2.695 20 10 FFCDHM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(Cl)c1[O-] ZINC001277231233 1035666913 /nfs/dbraw/zinc/66/69/13/1035666913.db2.gz AASPXCHFMRYSOG-IUIKQTSFSA-N -1 3 350.846 2.588 20 10 FFCDHM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454659 1036634660 /nfs/dbraw/zinc/63/46/60/1036634660.db2.gz DWWXNNDKWPAMPI-DEZZGGKRSA-N -1 3 359.344 2.563 20 10 FFCDHM Cc1cc(O[C@H]2CCCN(C)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543346 1036732921 /nfs/dbraw/zinc/73/29/21/1036732921.db2.gz ZEGZMNKJQZYMRE-ZDUSSCGKSA-N -1 3 351.402 2.949 20 10 FFCDHM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001207242338 1037273809 /nfs/dbraw/zinc/27/38/09/1037273809.db2.gz CALYJTFCEOWPMH-ZDUSSCGKSA-N -1 3 354.731 2.828 20 10 FFCDHM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001207242338 1037273813 /nfs/dbraw/zinc/27/38/13/1037273813.db2.gz CALYJTFCEOWPMH-ZDUSSCGKSA-N -1 3 354.731 2.828 20 10 FFCDHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC001207242338 1037273822 /nfs/dbraw/zinc/27/38/22/1037273822.db2.gz CALYJTFCEOWPMH-ZDUSSCGKSA-N -1 3 354.731 2.828 20 10 FFCDHM CN(C)C(=O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235064499 1037337099 /nfs/dbraw/zinc/33/70/99/1037337099.db2.gz FRJBREQZKDQGSY-JTQLQIEISA-N -1 3 359.239 2.594 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCN(C2CCOCC2)CC1 ZINC001235302570 1037462183 /nfs/dbraw/zinc/46/21/83/1037462183.db2.gz RNVUWQFBKDBDLE-UHFFFAOYSA-N -1 3 373.266 2.590 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231451733 1037592203 /nfs/dbraw/zinc/59/22/03/1037592203.db2.gz SKUUUFZCRPHXPO-ZDUSSCGKSA-N -1 3 364.442 2.827 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231451733 1037592212 /nfs/dbraw/zinc/59/22/12/1037592212.db2.gz SKUUUFZCRPHXPO-ZDUSSCGKSA-N -1 3 364.442 2.827 20 10 FFCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452519 1037592706 /nfs/dbraw/zinc/59/27/06/1037592706.db2.gz QCJSIPVPJJFZLC-CQSZACIVSA-N -1 3 350.415 2.532 20 10 FFCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452519 1037592708 /nfs/dbraw/zinc/59/27/08/1037592708.db2.gz QCJSIPVPJJFZLC-CQSZACIVSA-N -1 3 350.415 2.532 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)cc1Cl ZINC001231867509 1037964062 /nfs/dbraw/zinc/96/40/62/1037964062.db2.gz LQAGSOAFTBLXPE-CQSZACIVSA-N -1 3 370.877 2.768 20 10 FFCDHM CN(C)c1cc(NC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC001208182548 1038116601 /nfs/dbraw/zinc/11/66/01/1038116601.db2.gz GJDVCZDMIZJGJT-UHFFFAOYSA-N -1 3 365.231 2.937 20 10 FFCDHM CCOC[C@@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2cnn(C)c21 ZINC001236797324 1038276878 /nfs/dbraw/zinc/27/68/78/1038276878.db2.gz LVLLCXZXAIDNOR-ZDUSSCGKSA-N -1 3 365.861 2.924 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC001251150106 1038969176 /nfs/dbraw/zinc/96/91/76/1038969176.db2.gz XEMVUSNICIUZGX-CHWSQXEVSA-N -1 3 371.412 2.697 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@H](F)C2)cc1I ZINC001248462286 1040285927 /nfs/dbraw/zinc/28/59/27/1040285927.db2.gz SPTGENLMWLLDRW-VIFPVBQESA-N -1 3 351.159 2.549 20 10 FFCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1O ZINC001260452564 1040601189 /nfs/dbraw/zinc/60/11/89/1040601189.db2.gz HZBGORNYRACZPS-UHFFFAOYSA-N -1 3 359.359 2.502 20 10 FFCDHM Cc1cc(CN2CCN(C(C)(C)C)C(=O)C2)c([O-])cc1Br ZINC001250128391 1041123760 /nfs/dbraw/zinc/12/37/60/1041123760.db2.gz DPDYQRSQVDZMAN-UHFFFAOYSA-N -1 3 355.276 2.906 20 10 FFCDHM CCc1nnc2n1CCN(Cc1cc(C)c(Br)cc1[O-])C2 ZINC001250132589 1041124209 /nfs/dbraw/zinc/12/42/09/1041124209.db2.gz ANHAXRHTDIBKMG-UHFFFAOYSA-N -1 3 351.248 2.633 20 10 FFCDHM COC(=O)CC[C@@H]1COCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250136841 1041126252 /nfs/dbraw/zinc/12/62/52/1041126252.db2.gz ZBPACIDEECJOQX-CYBMUJFWSA-N -1 3 372.259 2.617 20 10 FFCDHM Cc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)ncc1Br ZINC001215328988 1041741407 /nfs/dbraw/zinc/74/14/07/1041741407.db2.gz XJVJEICGVIVOCW-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM COCCOCN1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001279505565 1043200454 /nfs/dbraw/zinc/20/04/54/1043200454.db2.gz QFENZBCRTAAPFA-GASCZTMLSA-N -1 3 374.403 2.680 20 10 FFCDHM Cc1cc([O-])c(CN2CC(N3C[C@H](C)O[C@@H](C)C3)C2)cc1Br ZINC001237683604 1043308939 /nfs/dbraw/zinc/30/89/39/1043308939.db2.gz CWXQOCQWLNORAP-STQMWFEESA-N -1 3 369.303 2.757 20 10 FFCDHM CCCO[C@@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237780687 1043352375 /nfs/dbraw/zinc/35/23/75/1043352375.db2.gz VLPBYQYOYKEPEO-GFCCVEGCSA-N -1 3 361.223 2.998 20 10 FFCDHM CC(C)(C)NC(=O)c1[nH]nc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001279982737 1044030662 /nfs/dbraw/zinc/03/06/62/1044030662.db2.gz WMJLGHRHFGAOGF-UHFFFAOYSA-N -1 3 362.861 2.855 20 10 FFCDHM CC(C)(C)NC(=O)c1n[nH]c2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001279982737 1044030672 /nfs/dbraw/zinc/03/06/72/1044030672.db2.gz WMJLGHRHFGAOGF-UHFFFAOYSA-N -1 3 362.861 2.855 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(Br)cc2C(N)=O)c([O-])c1O ZINC001320793289 1045469528 /nfs/dbraw/zinc/46/95/28/1045469528.db2.gz PTFXINQIMBRKJV-UHFFFAOYSA-N -1 3 365.183 2.520 20 10 FFCDHM CC(=O)NCC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001332690185 1048507151 /nfs/dbraw/zinc/50/71/51/1048507151.db2.gz IXUVIWIICZQLIY-UHFFFAOYSA-N -1 3 359.239 2.642 20 10 FFCDHM COC(=O)C1(C2(O)CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CCC1 ZINC001334356480 1049386732 /nfs/dbraw/zinc/38/67/32/1049386732.db2.gz MVFADSSXLFFHGC-UHFFFAOYSA-N -1 3 371.836 2.855 20 10 FFCDHM CC(C)(C)C[C@@H](NC(=O)C(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001340192951 1050600861 /nfs/dbraw/zinc/60/08/61/1050600861.db2.gz JBYWGWDEXMUGOM-GFCCVEGCSA-N -1 3 364.339 2.631 20 10 FFCDHM CCCNC(=O)[C@H]1CN(Cc2cc(F)c(F)cc2[O-])c2ccccc2O1 ZINC001308707495 1052488936 /nfs/dbraw/zinc/48/89/36/1052488936.db2.gz UWZMQAVMPNUWOR-GOSISDBHSA-N -1 3 362.376 2.964 20 10 FFCDHM O=S1(=O)C[C@@H](NCc2c([O-])cccc2Br)c2ccccc21 ZINC001474502423 1065536839 /nfs/dbraw/zinc/53/68/39/1065536839.db2.gz DUUQTPCIAXPXSN-CYBMUJFWSA-N -1 3 368.252 2.773 20 10 FFCDHM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC001474620612 1065564002 /nfs/dbraw/zinc/56/40/02/1065564002.db2.gz UOMYDRPBBAYTSE-VOJFVSQTSA-N -1 3 371.836 2.975 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001577662155 1078385935 /nfs/dbraw/zinc/38/59/35/1078385935.db2.gz FMZNCFLVEWQWHA-UHFFFAOYSA-N -1 3 372.454 2.756 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCc2c([O-])cccc2F)C1 ZINC001558456737 1076010121 /nfs/dbraw/zinc/01/01/21/1076010121.db2.gz DRUOAPZWMDBVHH-BUXKBTBVSA-N -1 3 364.417 2.795 20 10 FFCDHM CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001589321692 1080481891 /nfs/dbraw/zinc/48/18/91/1080481891.db2.gz KUVNURZZBAQECP-UHFFFAOYSA-N -1 3 354.370 2.505 20 10 FFCDHM CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589321692 1080481898 /nfs/dbraw/zinc/48/18/98/1080481898.db2.gz KUVNURZZBAQECP-UHFFFAOYSA-N -1 3 354.370 2.505 20 10 FFCDHM COC(=O)CN(Cc1nccn1C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000111238373 508080947 /nfs/dbraw/zinc/08/09/47/508080947.db2.gz SLUYRBHVDRIQRS-UHFFFAOYSA-N -1 3 351.834 2.998 20 10 FFCDHM CN(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccccc1[O-] ZINC000111235061 508080994 /nfs/dbraw/zinc/08/09/94/508080994.db2.gz JIQNPZBFFNEPHQ-IBGZPJMESA-N -1 3 358.413 2.563 20 10 FFCDHM O=S1(=O)CCN(c2cccc(NCc3c([O-])cccc3Cl)c2)CC1 ZINC000123009279 508621391 /nfs/dbraw/zinc/62/13/91/508621391.db2.gz IZWBUVJTBHLULV-UHFFFAOYSA-N -1 3 366.870 2.893 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cccc(=O)n1C ZINC000128728046 508635137 /nfs/dbraw/zinc/63/51/37/508635137.db2.gz SACMNDKHTPSWKY-UHFFFAOYSA-N -1 3 365.227 2.516 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000131639071 508956427 /nfs/dbraw/zinc/95/64/27/508956427.db2.gz YUBIBMFGTOLQHU-AWEZNQCLSA-N -1 3 351.418 2.751 20 10 FFCDHM CC(C)S(=O)(=O)CCCN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000120475353 509005027 /nfs/dbraw/zinc/00/50/27/509005027.db2.gz QVRKZUBXUCQPJE-QGZVFWFLSA-N -1 3 355.500 2.587 20 10 FFCDHM CC(C)C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000161054060 509065289 /nfs/dbraw/zinc/06/52/89/509065289.db2.gz VQZVFQBOXZXLKD-ZDUSSCGKSA-N -1 3 354.472 2.662 20 10 FFCDHM O=C(C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCOCC1 ZINC000162670451 509277455 /nfs/dbraw/zinc/27/74/55/509277455.db2.gz YLSSXPKXMSBBCE-UHFFFAOYSA-N -1 3 373.280 2.770 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)/C=C/c3cncc([O-])c3)CC2)cc1 ZINC000179442759 509445695 /nfs/dbraw/zinc/44/56/95/509445695.db2.gz MNQOKMZEOBLMFU-FPYGCLRLSA-N -1 3 353.422 2.548 20 10 FFCDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1O ZINC000267564746 509544216 /nfs/dbraw/zinc/54/42/16/509544216.db2.gz HGATURMLEFJQBJ-LBPRGKRZSA-N -1 3 363.435 2.643 20 10 FFCDHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)s1 ZINC000192994045 509729705 /nfs/dbraw/zinc/72/97/05/509729705.db2.gz CVJNJAKFMFDYCE-UHFFFAOYSA-N -1 3 360.435 2.502 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000177465665 510076496 /nfs/dbraw/zinc/07/64/96/510076496.db2.gz RVHUUEYHMPXNRE-KRWDZBQOSA-N -1 3 351.418 2.894 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c([O-])c1O ZINC000181964502 510680566 /nfs/dbraw/zinc/68/05/66/510680566.db2.gz YRUCWFHMPYNKRE-ZDUSSCGKSA-N -1 3 360.454 2.517 20 10 FFCDHM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000360335944 510898704 /nfs/dbraw/zinc/89/87/04/510898704.db2.gz OLFNFMHAJTVNEI-UHFFFAOYSA-N -1 3 357.406 2.664 20 10 FFCDHM COc1c([O-])c(CN(C)Cc2c(C)nc3sccn23)ccc1[N+](=O)[O-] ZINC000278238613 510986579 /nfs/dbraw/zinc/98/65/79/510986579.db2.gz NOFVZDXZDHNATO-UHFFFAOYSA-N -1 3 362.411 2.959 20 10 FFCDHM COc1c([O-])c(CNc2cc(CSCCO)ccn2)ccc1[N+](=O)[O-] ZINC000278472516 510993852 /nfs/dbraw/zinc/99/38/52/510993852.db2.gz HPKOINFTIBCHPD-UHFFFAOYSA-N -1 3 365.411 2.542 20 10 FFCDHM C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)cc1[O-] ZINC000278506287 510995718 /nfs/dbraw/zinc/99/57/18/510995718.db2.gz RANIANCRJNZCKK-GFCCVEGCSA-N -1 3 356.405 2.877 20 10 FFCDHM C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc(F)ccc1[O-] ZINC000278510166 510996121 /nfs/dbraw/zinc/99/61/21/510996121.db2.gz RJWBWNBPKLTAHS-LBPRGKRZSA-N -1 3 356.405 2.877 20 10 FFCDHM CC[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1[O-] ZINC000287507361 511051720 /nfs/dbraw/zinc/05/17/20/511051720.db2.gz NZNSNFUTAMJPSH-QGZVFWFLSA-N -1 3 367.442 2.538 20 10 FFCDHM O=S(=O)(CCNCc1cccc(Cl)c1[O-])CCc1ccccc1 ZINC000282691238 511075176 /nfs/dbraw/zinc/07/51/76/511075176.db2.gz IZHSVRMCJFXNGV-UHFFFAOYSA-N -1 3 353.871 2.793 20 10 FFCDHM COC(=O)c1cc(CNCc2cccc(Br)c2[O-])n(C)c1C ZINC000291017925 511157053 /nfs/dbraw/zinc/15/70/53/511157053.db2.gz GHOYIVQOIQIMJC-UHFFFAOYSA-N -1 3 367.243 2.878 20 10 FFCDHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271399591 511191370 /nfs/dbraw/zinc/19/13/70/511191370.db2.gz NJDSMVSHFRDMMS-DOMZBBRYSA-N -1 3 354.472 2.805 20 10 FFCDHM CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000294867043 511202366 /nfs/dbraw/zinc/20/23/66/511202366.db2.gz UKOPCHXVGLAMGE-DEOSSOPVSA-N -1 3 373.902 2.630 20 10 FFCDHM COc1c([O-])c(CN2CCC(c3nccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000375720298 512472213 /nfs/dbraw/zinc/47/22/13/512472213.db2.gz QXFBXYMURDZYNL-UHFFFAOYSA-N -1 3 358.398 2.787 20 10 FFCDHM Cc1ccccc1C1=CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000371631330 512501158 /nfs/dbraw/zinc/50/11/58/512501158.db2.gz CDFYMQZXYBXPNC-UHFFFAOYSA-N -1 3 372.446 2.612 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000374012752 512620663 /nfs/dbraw/zinc/62/06/63/512620663.db2.gz FZORDWLJABVZGE-JMERFSKESA-N -1 3 351.418 2.892 20 10 FFCDHM Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)n1 ZINC000378522546 512805630 /nfs/dbraw/zinc/80/56/30/512805630.db2.gz SPMJLJRZFMDGBR-MRXNPFEDSA-N -1 3 374.872 2.847 20 10 FFCDHM Cc1cc(C(=O)N(C)CC(F)F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228407 598752012 /nfs/dbraw/zinc/75/20/12/598752012.db2.gz YUZMYZORXXQDNE-UHFFFAOYSA-N -1 3 360.368 2.611 20 10 FFCDHM COc1cc(Br)cc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1[O-] ZINC000737846333 600007732 /nfs/dbraw/zinc/00/77/32/600007732.db2.gz VVPKDXBHXOMVFB-UHFFFAOYSA-N -1 3 358.232 2.896 20 10 FFCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1cccnc1 ZINC000823504468 606304693 /nfs/dbraw/zinc/30/46/93/606304693.db2.gz QNLQMZRWCPDXQI-VZUCSPMQSA-N -1 3 372.460 2.729 20 10 FFCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1c1cccnc1 ZINC000823504468 606304695 /nfs/dbraw/zinc/30/46/95/606304695.db2.gz QNLQMZRWCPDXQI-VZUCSPMQSA-N -1 3 372.460 2.729 20 10 FFCDHM CCOc1ccc(N(CC)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821422470 606922591 /nfs/dbraw/zinc/92/25/91/606922591.db2.gz WTFKIEGCOIDNAC-SFHVURJKSA-N -1 3 353.426 2.825 20 10 FFCDHM CCOc1ccc(N(CC)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821422470 606922593 /nfs/dbraw/zinc/92/25/93/606922593.db2.gz WTFKIEGCOIDNAC-SFHVURJKSA-N -1 3 353.426 2.825 20 10 FFCDHM CN(Cc1cc2c(cc1O)OCO2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825954321 607848716 /nfs/dbraw/zinc/84/87/16/607848716.db2.gz ZVAALEXSVCIXTO-UHFFFAOYSA-N -1 3 359.773 2.591 20 10 FFCDHM CN(Cc1cc2c(cc1O)OCO2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825954321 607848717 /nfs/dbraw/zinc/84/87/17/607848717.db2.gz ZVAALEXSVCIXTO-UHFFFAOYSA-N -1 3 359.773 2.591 20 10 FFCDHM O=C(c1ccco1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000158448799 728888500 /nfs/dbraw/zinc/88/85/00/728888500.db2.gz SCBIBVJZVQYAPD-UHFFFAOYSA-N -1 3 365.227 2.706 20 10 FFCDHM O=C1NCCN(Cc2cc(Br)ccc2[O-])[C@@H]1c1ccccc1 ZINC000092674791 728470076 /nfs/dbraw/zinc/47/00/76/728470076.db2.gz FYNNJDPAOLNULL-MRXNPFEDSA-N -1 3 361.239 2.828 20 10 FFCDHM CCc1noc(C[C@@]2(O)CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000856594081 730346517 /nfs/dbraw/zinc/34/65/17/730346517.db2.gz DOXKYFFUUQJMCM-KRWDZBQOSA-N -1 3 369.824 2.700 20 10 FFCDHM C[C@@H]1CN=C(N2CCN(Cc3c([O-])cccc3Br)CC2)S1 ZINC000862248371 730681668 /nfs/dbraw/zinc/68/16/68/730681668.db2.gz LBZFXMOUORJVLW-LLVKDONJSA-N -1 3 370.316 2.764 20 10 FFCDHM CCOC(=O)[C@H](NCc1c([O-])cccc1Br)[C@H]1CCCOC1 ZINC000862339612 730690128 /nfs/dbraw/zinc/69/01/28/730690128.db2.gz ZNABHPOJYLIYGC-XHDPSFHLSA-N -1 3 372.259 2.603 20 10 FFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)S1(=O)=O ZINC000862366464 730692387 /nfs/dbraw/zinc/69/23/87/730692387.db2.gz ITYGSXLNQWBOAB-GHMZBOCLSA-N -1 3 362.289 2.552 20 10 FFCDHM O=C(NCc1cccnc1OCC(F)F)NCc1c([O-])cccc1F ZINC000921713067 738029870 /nfs/dbraw/zinc/02/98/70/738029870.db2.gz UEGHXOXRARNHMQ-UHFFFAOYSA-N -1 3 355.316 2.570 20 10 FFCDHM CC1(C)OC[C@@H]([C@@H]2CN(Cc3ccc(Br)cc3[O-])CCO2)O1 ZINC000877784884 732430295 /nfs/dbraw/zinc/43/02/95/732430295.db2.gz NAATYIWFPASQSO-GJZGRUSLSA-N -1 3 372.259 2.507 20 10 FFCDHM C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1c([O-])cccc1F ZINC000886618955 733810445 /nfs/dbraw/zinc/81/04/45/733810445.db2.gz PFKWLFFBXUVIBE-LBPRGKRZSA-N -1 3 352.431 2.632 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000783849188 738841548 /nfs/dbraw/zinc/84/15/48/738841548.db2.gz QJMUXTHMIFXWIE-NWDGAFQWSA-N -1 3 350.415 2.664 20 10 FFCDHM COCc1ncc2c(n1)CCN(Cc1c([O-])cccc1Br)C2 ZINC000895416962 735003784 /nfs/dbraw/zinc/00/37/84/735003784.db2.gz JEZAXHGLWFILGW-UHFFFAOYSA-N -1 3 364.243 2.649 20 10 FFCDHM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895864529 735066648 /nfs/dbraw/zinc/06/66/48/735066648.db2.gz PBVINXWJVLCVRY-ZIAGYGMSSA-N -1 3 372.259 2.745 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000787422127 739135714 /nfs/dbraw/zinc/13/57/14/739135714.db2.gz AIACUODFUOXTHP-SUHUHFCYSA-N -1 3 353.260 2.549 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](N3CCCC3=O)C2)c1[O-] ZINC000750045228 735768046 /nfs/dbraw/zinc/76/80/46/735768046.db2.gz NHNLVIDIJJUTBO-OAHLLOKOSA-N -1 3 350.846 2.835 20 10 FFCDHM CC(C)CCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751373436 735867496 /nfs/dbraw/zinc/86/74/96/735867496.db2.gz SNKLKWDPBHCUCS-INIZCTEOSA-N -1 3 374.934 2.976 20 10 FFCDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000756341293 736323982 /nfs/dbraw/zinc/32/39/82/736323982.db2.gz VSRJANOYBSLAMR-INIZCTEOSA-N -1 3 350.415 2.639 20 10 FFCDHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000762569295 736838365 /nfs/dbraw/zinc/83/83/65/736838365.db2.gz LXBGQPSEOIEVOE-QWHCGFSZSA-N -1 3 372.512 2.510 20 10 FFCDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)cc1F ZINC000762620588 736846097 /nfs/dbraw/zinc/84/60/97/736846097.db2.gz ULBFCYBOMRITNL-UHFFFAOYSA-N -1 3 358.385 2.957 20 10 FFCDHM CN(CC(=O)NCc1ccccc1)Cc1cccc(Br)c1[O-] ZINC000769465850 737532272 /nfs/dbraw/zinc/53/22/72/737532272.db2.gz DVMJJNPOCFCXHV-UHFFFAOYSA-N -1 3 363.255 2.903 20 10 FFCDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769958378 737586776 /nfs/dbraw/zinc/58/67/76/737586776.db2.gz UDFHQYIEGGKPRN-DZGCQCFKSA-N -1 3 372.512 2.558 20 10 FFCDHM CC(C)(C)NC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000775984772 738149984 /nfs/dbraw/zinc/14/99/84/738149984.db2.gz VURZJNMTYHPVIV-UHFFFAOYSA-N -1 3 370.291 2.780 20 10 FFCDHM C[C@@H](CCNC(=O)NCc1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC000923375822 738277315 /nfs/dbraw/zinc/27/73/15/738277315.db2.gz GBDGUXYBXCVURU-NSHDSACASA-N -1 3 355.410 2.634 20 10 FFCDHM C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000786961457 739093263 /nfs/dbraw/zinc/09/32/63/739093263.db2.gz ZKXGDGXJNYOWCN-VIFPVBQESA-N -1 3 356.425 2.616 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCCC23CCCC3)c1 ZINC000794659563 739916478 /nfs/dbraw/zinc/91/64/78/739916478.db2.gz UDNNFVSKGGFKHD-MRXNPFEDSA-N -1 3 366.483 2.997 20 10 FFCDHM CC[C@@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H](C)S1(=O)=O ZINC000808192450 741197454 /nfs/dbraw/zinc/19/74/54/741197454.db2.gz DBWIBLQHADOTBT-CZUORRHYSA-N -1 3 363.479 2.952 20 10 FFCDHM O=S(=O)(NC1CCCC1)C1CN(Cc2ccc3ccccc3c2[O-])C1 ZINC000816566968 742042770 /nfs/dbraw/zinc/04/27/70/742042770.db2.gz MPIFKHNEKMAARA-UHFFFAOYSA-N -1 3 360.479 2.592 20 10 FFCDHM CC(C)(C)C(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824556270 743104081 /nfs/dbraw/zinc/10/40/81/743104081.db2.gz OGQSUPHIJBTDIK-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000826036402 743359329 /nfs/dbraw/zinc/35/93/29/743359329.db2.gz ICORUZWTOCSLFD-XMMPIXPASA-N -1 3 373.902 2.630 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC(N3CCOC3=O)CC2)c1 ZINC000827741728 744969071 /nfs/dbraw/zinc/96/90/71/744969071.db2.gz ZUVYZKSTXZARER-UHFFFAOYSA-N -1 3 369.259 2.880 20 10 FFCDHM COC(=O)NC1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000827928871 745002907 /nfs/dbraw/zinc/00/29/07/745002907.db2.gz AFVOPWWNUWIQBW-UHFFFAOYSA-N -1 3 357.248 2.784 20 10 FFCDHM CN(C)CCn1nccc1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000836700675 746287995 /nfs/dbraw/zinc/28/79/95/746287995.db2.gz RXZXLKPIDYNZFB-UHFFFAOYSA-N -1 3 372.256 2.779 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000846013665 748382679 /nfs/dbraw/zinc/38/26/79/748382679.db2.gz KFNXMTUFEQDABX-UHFFFAOYSA-N -1 3 363.259 2.715 20 10 FFCDHM C[C@H](NCc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1[O-] ZINC000848561047 748960477 /nfs/dbraw/zinc/96/04/77/748960477.db2.gz ONQXGEHAKOCXHM-VIFPVBQESA-N -1 3 354.252 2.747 20 10 FFCDHM [O-]c1ccc2ccncc2c1CN1CCn2ncc(Br)c2C1 ZINC000853600382 750108031 /nfs/dbraw/zinc/10/80/31/750108031.db2.gz XHIZYJIIYGCWFL-UHFFFAOYSA-N -1 3 359.227 2.915 20 10 FFCDHM Cc1cc(C(=O)N2CCC(F)(F)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257553 947741857 /nfs/dbraw/zinc/74/18/57/947741857.db2.gz HBTVRAAZFAVNHA-UHFFFAOYSA-N -1 3 372.379 2.755 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001604083536 972481507 /nfs/dbraw/zinc/48/15/07/972481507.db2.gz OYMIHHLXHNYONA-SFHVURJKSA-N -1 3 370.453 2.875 20 10 FFCDHM COc1c([O-])c(CN2Cc3cccnc3N3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000877762728 1014717160 /nfs/dbraw/zinc/71/71/60/1014717160.db2.gz OTHUOLYVTYYVQP-HNNXBMFYSA-N -1 3 370.409 2.689 20 10 FFCDHM CCO[C@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232978376 986349534 /nfs/dbraw/zinc/34/95/34/986349534.db2.gz FCNGBKAHOZSWHO-ZDUSSCGKSA-N -1 3 361.223 2.998 20 10 FFCDHM CCCNC(=O)c1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC000914085993 987176929 /nfs/dbraw/zinc/17/69/29/987176929.db2.gz YSMFWNRFJIBUBO-UHFFFAOYSA-N -1 3 359.401 2.671 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000922554527 988692188 /nfs/dbraw/zinc/69/21/88/988692188.db2.gz KJRDFXYCXPQZPC-CYBMUJFWSA-N -1 3 361.392 2.996 20 10 FFCDHM O=C1NCCc2cc(NCc3cc(Cl)c4cccnc4c3[O-])ncc21 ZINC001168526049 991783871 /nfs/dbraw/zinc/78/38/71/991783871.db2.gz QSSSTTYAXVLDNB-UHFFFAOYSA-N -1 3 354.797 2.887 20 10 FFCDHM C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593299766 994724526 /nfs/dbraw/zinc/72/45/26/994724526.db2.gz VMTVHDMIASGHCM-AWEZNQCLSA-N -1 3 370.449 2.902 20 10 FFCDHM CN1CC2(CC1=O)CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144308510 998306285 /nfs/dbraw/zinc/30/62/85/998306285.db2.gz ZQUHDTFOBVZTEC-UHFFFAOYSA-N -1 3 371.250 2.738 20 10 FFCDHM CC(C)Cn1cc(NCc2cc(Br)ccc2[O-])cnc1=O ZINC001171176064 998509912 /nfs/dbraw/zinc/50/99/12/998509912.db2.gz JJONVXSMBULVQS-UHFFFAOYSA-N -1 3 352.232 2.980 20 10 FFCDHM COC(=O)COc1ccc(N(C)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC001169187473 1000029708 /nfs/dbraw/zinc/02/97/08/1000029708.db2.gz IEMITRUESJAURB-UHFFFAOYSA-N -1 3 369.377 2.630 20 10 FFCDHM Cc1ccc2oc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cc2c1 ZINC001147485733 1000912668 /nfs/dbraw/zinc/91/26/68/1000912668.db2.gz NEWAGKVIBRMACZ-UHFFFAOYSA-N -1 3 374.418 2.748 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001148213423 1001068153 /nfs/dbraw/zinc/06/81/53/1001068153.db2.gz AJCLSDKYLJNGKP-UHFFFAOYSA-N -1 3 357.288 2.519 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001148212134 1001068185 /nfs/dbraw/zinc/06/81/85/1001068185.db2.gz NRKZLJCBBOPOFP-UHFFFAOYSA-N -1 3 355.365 2.997 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001148218932 1001071180 /nfs/dbraw/zinc/07/11/80/1001071180.db2.gz OTFDOJHMJWDDKF-AWEZNQCLSA-N -1 3 367.405 2.750 20 10 FFCDHM O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790542381 1002421006 /nfs/dbraw/zinc/42/10/06/1002421006.db2.gz KODWQJGSDZVTJV-UHFFFAOYSA-N -1 3 373.384 2.663 20 10 FFCDHM COc1ccc2c(c1)c1c(n2C)CCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC001195784435 1005042850 /nfs/dbraw/zinc/04/28/50/1005042850.db2.gz MKRRFGRNGPRPHN-UHFFFAOYSA-N -1 3 372.446 2.640 20 10 FFCDHM CCCCOC(=O)CNC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188296352 1006483760 /nfs/dbraw/zinc/48/37/60/1006483760.db2.gz MPBOIMRXFBUHSC-UHFFFAOYSA-N -1 3 365.817 2.736 20 10 FFCDHM COCCOCCOc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000885591048 1007753521 /nfs/dbraw/zinc/75/35/21/1007753521.db2.gz UHKGHKPOOBRTOM-UHFFFAOYSA-N -1 3 361.394 2.700 20 10 FFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc2[n-]c(=O)nc-2[nH]1 ZINC000820006229 1008264488 /nfs/dbraw/zinc/26/44/88/1008264488.db2.gz OVOPLIMZZFRINN-UHFFFAOYSA-N -1 3 371.360 2.626 20 10 FFCDHM Cc1ccc(C)c(N2N=C(C(=O)NCc3c([O-])cccc3F)CCC2=O)c1 ZINC001178410299 1008983511 /nfs/dbraw/zinc/98/35/11/1008983511.db2.gz PXNAQQMZWVBEOJ-UHFFFAOYSA-N -1 3 369.396 2.947 20 10 FFCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]OC2CCOCC2)cc1 ZINC000860938205 1009203182 /nfs/dbraw/zinc/20/31/82/1009203182.db2.gz OTPNBURNDBFYDN-UHFFFAOYSA-N -1 3 356.422 2.676 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000863408335 1010205742 /nfs/dbraw/zinc/20/57/42/1010205742.db2.gz MHSAJTNEKUPIJU-UHFFFAOYSA-N -1 3 372.446 2.591 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000863483208 1010222339 /nfs/dbraw/zinc/22/23/39/1010222339.db2.gz RCXQNHJDCJALQW-UHFFFAOYSA-N -1 3 351.406 2.537 20 10 FFCDHM Cc1cccnc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217056680 1032599551 /nfs/dbraw/zinc/59/95/51/1032599551.db2.gz PMKRGASGTHUWNC-UHFFFAOYSA-N -1 3 352.394 2.645 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3C[NH2+]CC[C@H]3C)c1C2=O ZINC001218044935 1032969459 /nfs/dbraw/zinc/96/94/59/1032969459.db2.gz XBQSSGCSVSPSEX-PIGZYNQJSA-N -1 3 367.401 2.558 20 10 FFCDHM CC(C)(C)OC(=O)N1CCO[C@H]2CCN(Cc3c([O-])cccc3F)C[C@@H]21 ZINC001137832881 1033166259 /nfs/dbraw/zinc/16/62/59/1033166259.db2.gz KZPMXWNUBJKNAZ-RDJZCZTQSA-N -1 3 366.433 2.742 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001137832944 1033166742 /nfs/dbraw/zinc/16/67/42/1033166742.db2.gz NBSITHXHWMMMDH-HXUWFJFHSA-N -1 3 357.429 2.798 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000837236279 1025673813 /nfs/dbraw/zinc/67/38/13/1025673813.db2.gz IBZFFVULPXHQRR-OLZOCXBDSA-N -1 3 364.442 2.721 20 10 FFCDHM O=C(NCc1cccnc1-n1cnc2ccccc21)c1cccc(O)c1[O-] ZINC001158804477 1027140784 /nfs/dbraw/zinc/14/07/84/1027140784.db2.gz YGCYPKOYCCVVHU-UHFFFAOYSA-N -1 3 360.373 2.762 20 10 FFCDHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000799037376 1031620312 /nfs/dbraw/zinc/62/03/12/1031620312.db2.gz UVKOMYHOCASIFY-CTYIDZIISA-N -1 3 374.462 2.748 20 10 FFCDHM COC(=O)c1cc2c(cc1NC(=O)c1ccc(C)c(O)c1[O-])OCCCO2 ZINC001151686544 1032008969 /nfs/dbraw/zinc/00/89/69/1032008969.db2.gz AYAMPCONRMQNKL-UHFFFAOYSA-N -1 3 373.361 2.606 20 10 FFCDHM CNC(=O)[C@@H]1CC12CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001276944684 1033710318 /nfs/dbraw/zinc/71/03/18/1033710318.db2.gz VZTXHQUBTKRDBR-LBPRGKRZSA-N -1 3 371.250 2.642 20 10 FFCDHM CCCCN1C[C@@]2(CC1=O)COCCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001276945840 1033713712 /nfs/dbraw/zinc/71/37/12/1033713712.db2.gz UJJNKPAXZAFSCR-IBGZPJMESA-N -1 3 368.424 2.521 20 10 FFCDHM O=C1[C@@H]2CCCN(Cc3cccc(F)c3[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128361 1033814311 /nfs/dbraw/zinc/81/43/11/1033814311.db2.gz FRJAIAJAEHRSGD-AEFFLSMTSA-N -1 3 368.408 2.681 20 10 FFCDHM COc1cncc(N)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212564 1034049319 /nfs/dbraw/zinc/04/93/19/1034049319.db2.gz OKDFHUOWOPFBIO-UHFFFAOYSA-N -1 3 358.785 2.510 20 10 FFCDHM O=C(NCC(F)F)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001277095135 1034504210 /nfs/dbraw/zinc/50/42/10/1034504210.db2.gz BDCXMIRKQQUEIR-LLVKDONJSA-N -1 3 360.351 2.654 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CCN(CCF)CC3)cccc21 ZINC001226379527 1034659505 /nfs/dbraw/zinc/65/95/05/1034659505.db2.gz DLRFTWIDKCUBQJ-UHFFFAOYSA-N -1 3 369.392 2.980 20 10 FFCDHM CN(C)C(=O)N1CCCC12CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682324 1035196887 /nfs/dbraw/zinc/19/68/87/1035196887.db2.gz WOWDNCXXBQFAML-UHFFFAOYSA-N -1 3 353.413 2.782 20 10 FFCDHM [O-]c1cccc(Br)c1CN1CCN(c2nccs2)CC1 ZINC001140098842 1035341112 /nfs/dbraw/zinc/34/11/12/1035341112.db2.gz OYJIVYJSYBHEBK-UHFFFAOYSA-N -1 3 354.273 2.933 20 10 FFCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCc1ccccc1 ZINC000834895724 1035470389 /nfs/dbraw/zinc/47/03/89/1035470389.db2.gz DAEGPYFDERQERA-KBPBESRZSA-N -1 3 357.410 2.698 20 10 FFCDHM CC(C)N(C)Cc1nnc2n1CCCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140464932 1035485423 /nfs/dbraw/zinc/48/54/23/1035485423.db2.gz FJEWLSXPDNNFDH-UHFFFAOYSA-N -1 3 363.893 2.883 20 10 FFCDHM CCOC[C@@H]1Cn2nccc2CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259589 1035530537 /nfs/dbraw/zinc/53/05/37/1035530537.db2.gz FTHNXMAPQJUCRR-LBPRGKRZSA-N -1 3 351.834 2.616 20 10 FFCDHM [O-]c1cc(O)c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1Cl ZINC001232260266 1035531228 /nfs/dbraw/zinc/53/12/28/1035531228.db2.gz UBYPVDIEJLVKIH-BMGDILEWSA-N -1 3 353.846 2.910 20 10 FFCDHM Cc1cc([O-])c(CN2CC3(C2)CN(C2CCCC2)C(=O)CO3)cc1Cl ZINC001277212948 1035574181 /nfs/dbraw/zinc/57/41/81/1035574181.db2.gz BQOMPSLHLFXRMP-UHFFFAOYSA-N -1 3 364.873 2.710 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001140580497 1035658862 /nfs/dbraw/zinc/65/88/62/1035658862.db2.gz FLWUDRVDMHJHPQ-LIRRHRJNSA-N -1 3 362.376 2.878 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001140580512 1035659251 /nfs/dbraw/zinc/65/92/51/1035659251.db2.gz FUIPBHWLUXDAOL-YJYMSZOUSA-N -1 3 362.376 2.593 20 10 FFCDHM CC(C)CN1C[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277231326 1035667334 /nfs/dbraw/zinc/66/73/34/1035667334.db2.gz BDHKQVRAJLHNBD-SFHVURJKSA-N -1 3 352.862 2.505 20 10 FFCDHM C[C@@H](O)CCCC(=O)Oc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001228217265 1035999223 /nfs/dbraw/zinc/99/92/23/1035999223.db2.gz VVJUHBKJIKNTBP-LLVKDONJSA-N -1 3 354.358 2.624 20 10 FFCDHM CC1(C)CN(Cc2ccc(I)cc2[O-])CCCO1 ZINC001232978556 1036209351 /nfs/dbraw/zinc/20/93/51/1036209351.db2.gz KCGRDDOAJFKGDV-UHFFFAOYSA-N -1 3 361.223 2.998 20 10 FFCDHM CCCCOC1CN(Cc2ccc(I)cc2[O-])C1 ZINC001232978735 1036212355 /nfs/dbraw/zinc/21/23/55/1036212355.db2.gz MBWQLBLCYZDDGN-UHFFFAOYSA-N -1 3 361.223 2.998 20 10 FFCDHM [O-]c1cc(I)ccc1CN1Cc2ccncc2C1 ZINC001232978836 1036212862 /nfs/dbraw/zinc/21/28/62/1036212862.db2.gz PCJZGVLUWMPXQO-UHFFFAOYSA-N -1 3 352.175 2.908 20 10 FFCDHM CN(C)C(=O)N1CCCC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333721 1036541171 /nfs/dbraw/zinc/54/11/71/1036541171.db2.gz FSLWXPNJNBOOOJ-UHFFFAOYSA-N -1 3 353.413 2.782 20 10 FFCDHM COC[C@@H](C)OC[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192615 1036542500 /nfs/dbraw/zinc/54/25/00/1036542500.db2.gz QHZNDXRJBGZIII-CHWSQXEVSA-N -1 3 370.401 2.986 20 10 FFCDHM O=C1c2cccc(O[C@H]3CCc4nccn4C3)c2C(=O)c2cccc([O-])c21 ZINC001229192388 1036542662 /nfs/dbraw/zinc/54/26/62/1036542662.db2.gz LCNFKXIOWJLVBP-LBPRGKRZSA-N -1 3 360.369 2.758 20 10 FFCDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001234477588 1037054839 /nfs/dbraw/zinc/05/48/39/1037054839.db2.gz UPUALXZMWDBZHA-MRXNPFEDSA-N -1 3 357.406 2.580 20 10 FFCDHM O=C1CCC(Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)CC1 ZINC001234747407 1037164803 /nfs/dbraw/zinc/16/48/03/1037164803.db2.gz RHHZVJKGVFFULB-UHFFFAOYSA-N -1 3 356.330 2.954 20 10 FFCDHM COc1cc([O-])c(CN2CCN(c3cc(C)nc(C)n3)CC2)c(Cl)c1 ZINC001236798568 1038276712 /nfs/dbraw/zinc/27/67/12/1038276712.db2.gz GQAHFUVAGXVHPQ-UHFFFAOYSA-N -1 3 362.861 2.783 20 10 FFCDHM COc1cc([O-])c(CN2CC(F)(F)CC[C@H]2CO)c(Br)c1 ZINC001237063502 1038430274 /nfs/dbraw/zinc/43/02/74/1038430274.db2.gz SAYKRWKMWZYVIB-VIFPVBQESA-N -1 3 366.202 2.755 20 10 FFCDHM CCNC(=O)COC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085741 1038440078 /nfs/dbraw/zinc/44/00/78/1038440078.db2.gz HIQXSDGSXSRWQZ-UHFFFAOYSA-N -1 3 361.269 2.816 20 10 FFCDHM CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251411435 1039115901 /nfs/dbraw/zinc/11/59/01/1039115901.db2.gz AQNQBITYJUAVFO-LLVKDONJSA-N -1 3 367.298 2.804 20 10 FFCDHM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)c1O ZINC001210066544 1039361805 /nfs/dbraw/zinc/36/18/05/1039361805.db2.gz IAAXOQTXKUAFCF-UHFFFAOYSA-N -1 3 363.222 2.581 20 10 FFCDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1c([O-])cccc1F ZINC001213798050 1040920285 /nfs/dbraw/zinc/92/02/85/1040920285.db2.gz YDPYFYUMQSXQHB-UHFFFAOYSA-N -1 3 354.359 2.535 20 10 FFCDHM [O-]c1c(O)cc(-c2nc(-c3cncc(Br)c3)no2)cc1O ZINC001215328470 1041741196 /nfs/dbraw/zinc/74/11/96/1041741196.db2.gz GOFFWSYOPOGBNM-UHFFFAOYSA-N -1 3 350.128 2.678 20 10 FFCDHM [O-]c1cccc(F)c1CN1C[C@@H]2OCCN(CCCC(F)(F)F)[C@H]2C1 ZINC001279421635 1043094382 /nfs/dbraw/zinc/09/43/82/1043094382.db2.gz LOSTUFZDXSOWNB-HOCLYGCPSA-N -1 3 362.367 2.759 20 10 FFCDHM CC(C)NC(=O)N1CC2(C1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001279489135 1043173538 /nfs/dbraw/zinc/17/35/38/1043173538.db2.gz LBZXBZMJVLJSIA-UHFFFAOYSA-N -1 3 353.413 2.686 20 10 FFCDHM CCOC(=O)[C@@]12CCO[C@@H]1CCN(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237801779 1043366358 /nfs/dbraw/zinc/36/63/58/1043366358.db2.gz WNBGIEZTJBTJKK-RHSMWYFYSA-N -1 3 357.809 2.729 20 10 FFCDHM CCOC(=O)c1cnc2n1CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237948711 1043450120 /nfs/dbraw/zinc/45/01/20/1043450120.db2.gz HACXIMCYRPEPEH-UHFFFAOYSA-N -1 3 367.808 2.616 20 10 FFCDHM COCCOCN1CC2(C1)CCCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279685139 1043466066 /nfs/dbraw/zinc/46/60/66/1043466066.db2.gz VNAOQMGESBHXOD-UHFFFAOYSA-N -1 3 372.868 2.703 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1COC2(CCCCCC2)O1 ZINC001312395865 1044108082 /nfs/dbraw/zinc/10/80/82/1044108082.db2.gz CAEDBCBAIJQESJ-ZDUSSCGKSA-N -1 3 352.406 2.796 20 10 FFCDHM CC[C@@H](CNC(=O)NCc1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC001312733632 1044162445 /nfs/dbraw/zinc/16/24/45/1044162445.db2.gz RIVCCGBPAUZCJK-NSHDSACASA-N -1 3 355.410 2.634 20 10 FFCDHM CN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001280108841 1044223129 /nfs/dbraw/zinc/22/31/29/1044223129.db2.gz AUDBHVJPUVGFFG-MEBBXXQBSA-N -1 3 373.678 2.718 20 10 FFCDHM Cn1cc(NC(=O)C(=O)NCc2c([O-])cccc2F)c(C2CCCCC2)n1 ZINC001340194786 1050603185 /nfs/dbraw/zinc/60/31/85/1050603185.db2.gz ZDWBZNALUHBTSN-UHFFFAOYSA-N -1 3 374.416 2.567 20 10 FFCDHM Cc1cc(F)ccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001303405887 1051348708 /nfs/dbraw/zinc/34/87/08/1051348708.db2.gz IUXYMNJSDBSUHW-NSHDSACASA-N -1 3 366.414 2.702 20 10 FFCDHM CCOc1cc(C(=O)NCc2c([O-])cccc2F)c([N+](=O)[O-])cc1OC ZINC001303878589 1051465374 /nfs/dbraw/zinc/46/53/74/1051465374.db2.gz OCFHBYMBYTUBCW-UHFFFAOYSA-N -1 3 364.329 2.777 20 10 FFCDHM C[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC2(CCC2)O1 ZINC001338587395 1055646929 /nfs/dbraw/zinc/64/69/29/1055646929.db2.gz BRJJWWREVVVIQF-NSHDSACASA-N -1 3 371.466 2.945 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001339381030 1056396390 /nfs/dbraw/zinc/39/63/90/1056396390.db2.gz KBNBSRKTPKRNCQ-NSHDSACASA-N -1 3 371.466 2.803 20 10 FFCDHM CCO[C@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC)C1 ZINC001353729997 1056676804 /nfs/dbraw/zinc/67/68/04/1056676804.db2.gz XUVPSYXLMMVYNQ-NSHDSACASA-N -1 3 359.455 2.896 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)c([O-])c1O ZINC001453309597 1059356027 /nfs/dbraw/zinc/35/60/27/1059356027.db2.gz AUJDEDSOVNQVJC-UHFFFAOYSA-N -1 3 354.337 2.949 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001456109555 1060012478 /nfs/dbraw/zinc/01/24/78/1060012478.db2.gz ZNENVNKAYHJTGB-NSHDSACASA-N -1 3 362.788 2.854 20 10 FFCDHM COc1c([O-])c(CNc2ccc([C@H](C)CC(N)=O)cc2)ccc1[N+](=O)[O-] ZINC001462602401 1061686458 /nfs/dbraw/zinc/68/64/58/1061686458.db2.gz HOHPMWKUVPXYTG-LLVKDONJSA-N -1 3 359.382 2.900 20 10 FFCDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)c1 ZINC001462947757 1061858712 /nfs/dbraw/zinc/85/87/12/1061858712.db2.gz TUCYVYUNXDLHQM-UHFFFAOYSA-N -1 3 357.838 2.727 20 10 FFCDHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1 ZINC001474746655 1065596712 /nfs/dbraw/zinc/59/67/12/1065596712.db2.gz AGOBBUPDDLJPSO-CQSZACIVSA-N -1 3 350.346 2.925 20 10 FFCDHM Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(C)c1-c1nnn[n-]1 ZINC001580778248 1078859932 /nfs/dbraw/zinc/85/99/32/1078859932.db2.gz BJDLSMYEXVLCPT-UHFFFAOYSA-N -1 3 364.453 2.822 20 10 FFCDHM Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(C)c1-c1nn[n-]n1 ZINC001580778248 1078859937 /nfs/dbraw/zinc/85/99/37/1078859937.db2.gz BJDLSMYEXVLCPT-UHFFFAOYSA-N -1 3 364.453 2.822 20 10 FFCDHM COC(=O)[C@H](COC1CCC1)N(C)Cc1ccc(Br)cc1[O-] ZINC001560638128 1076287218 /nfs/dbraw/zinc/28/72/18/1076287218.db2.gz ATUHQHYQYFXRGR-AWEZNQCLSA-N -1 3 372.259 2.697 20 10 FFCDHM COc1c([O-])c(CNc2ccc(-n3nncc3C)cc2)ccc1[N+](=O)[O-] ZINC001560903481 1076308156 /nfs/dbraw/zinc/30/81/56/1076308156.db2.gz WNCCOHRYSPXVJA-UHFFFAOYSA-N -1 3 355.354 2.810 20 10 FFCDHM C[C@H]1[C@H](C)N(C(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC001566941128 1076989741 /nfs/dbraw/zinc/98/97/41/1076989741.db2.gz AQUPSIZQAJCROR-RYUDHWBXSA-N -1 3 350.415 2.568 20 10 FFCDHM CC(C)=CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001589379449 1080510505 /nfs/dbraw/zinc/51/05/05/1080510505.db2.gz NFNVPJUTXUFHSE-UHFFFAOYSA-N -1 3 350.426 2.970 20 10 FFCDHM C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001589870178 1080819019 /nfs/dbraw/zinc/81/90/19/1080819019.db2.gz PCQQHVAZKSPARW-NEPJUHHUSA-N -1 3 368.397 2.935 20 10 FFCDHM C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953366 1080899960 /nfs/dbraw/zinc/89/99/60/1080899960.db2.gz FNPXASHEQRHILA-STQMWFEESA-N -1 3 368.416 2.641 20 10 FFCDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Br)cc(C)c1[O-] ZINC000359995315 210204209 /nfs/dbraw/zinc/20/42/09/210204209.db2.gz CVVZSURYGSISHW-ZIAGYGMSSA-N -1 3 372.259 2.616 20 10 FFCDHM [O-]c1ccccc1CN(Cc1nnnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000070976837 507673553 /nfs/dbraw/zinc/67/35/53/507673553.db2.gz XXPJQZMNQRAVRZ-SFHVURJKSA-N -1 3 365.437 2.549 20 10 FFCDHM COC(=O)CN(Cc1c(C)nn(C)c1C)Cc1cc(Cl)ccc1[O-] ZINC000111238363 508080679 /nfs/dbraw/zinc/08/06/79/508080679.db2.gz WPPDIJLHUMLQOK-UHFFFAOYSA-N -1 3 351.834 2.571 20 10 FFCDHM CN(Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1ccccc1[O-] ZINC000111236170 508081176 /nfs/dbraw/zinc/08/11/76/508081176.db2.gz BEUMERABACJESO-UHFFFAOYSA-N -1 3 361.352 2.601 20 10 FFCDHM C[C@@H](NCc1cc(Br)ccc1[O-])C(=O)NCc1ccco1 ZINC000111399335 508096940 /nfs/dbraw/zinc/09/69/40/508096940.db2.gz HQHPQNWUDREXBF-SNVBAGLBSA-N -1 3 353.216 2.542 20 10 FFCDHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000093613527 508150227 /nfs/dbraw/zinc/15/02/27/508150227.db2.gz JKLCTEXIXVYFGY-HUUCEWRRSA-N -1 3 370.833 2.706 20 10 FFCDHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179509933 509488111 /nfs/dbraw/zinc/48/81/11/509488111.db2.gz YKKFBQUBQNDOBG-UHFFFAOYSA-N -1 3 356.422 2.799 20 10 FFCDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(Br)cc1[O-] ZINC000186030355 509489582 /nfs/dbraw/zinc/48/95/82/509489582.db2.gz YISOODCKGMBPJI-UWVGGRQHSA-N -1 3 350.278 2.629 20 10 FFCDHM COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000264691074 509650136 /nfs/dbraw/zinc/65/01/36/509650136.db2.gz HJUWHMDWKZHSBW-ZDUSSCGKSA-N -1 3 371.437 2.818 20 10 FFCDHM CCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177001074 509810910 /nfs/dbraw/zinc/81/09/10/509810910.db2.gz QCXIWYJVBIHKTE-UHFFFAOYSA-N -1 3 352.862 2.986 20 10 FFCDHM CN(C)C(=O)CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000180326819 509869358 /nfs/dbraw/zinc/86/93/58/509869358.db2.gz QYTODXDIDBPXSG-UHFFFAOYSA-N -1 3 355.822 2.644 20 10 FFCDHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c([O-])c1O ZINC000177672060 510192848 /nfs/dbraw/zinc/19/28/48/510192848.db2.gz BUVDSMOZKMJAGA-UHFFFAOYSA-N -1 3 372.396 2.580 20 10 FFCDHM COc1cc(Cl)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000184946533 510597410 /nfs/dbraw/zinc/59/74/10/510597410.db2.gz FIOJNFIXIPQXAO-OAHLLOKOSA-N -1 3 369.870 2.930 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1CCCCC1=O ZINC000266522893 510638570 /nfs/dbraw/zinc/63/85/70/510638570.db2.gz KNTLIXDVFQQXJM-UHFFFAOYSA-N -1 3 369.259 2.516 20 10 FFCDHM Cc1cc(Br)cc(CN2CC[C@@H](N3CCCC3=O)C2)c1[O-] ZINC000276752643 510945949 /nfs/dbraw/zinc/94/59/49/510945949.db2.gz FUHSYFVDPAJMML-CQSZACIVSA-N -1 3 353.260 2.660 20 10 FFCDHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277192754 510957203 /nfs/dbraw/zinc/95/72/03/510957203.db2.gz GAPVDZXWLPJTCT-QGZVFWFLSA-N -1 3 362.470 2.952 20 10 FFCDHM CO[C@@H]1[C@@H](C)[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277920162 510976223 /nfs/dbraw/zinc/97/62/23/510976223.db2.gz JGGORXNYQPYIAR-CIISACIHSA-N -1 3 366.845 2.869 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000277966183 510977666 /nfs/dbraw/zinc/97/76/66/510977666.db2.gz NAETZNBTDMVJLV-IBGZPJMESA-N -1 3 362.426 2.713 20 10 FFCDHM COc1c(C)cnc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000278497438 510996085 /nfs/dbraw/zinc/99/60/85/510996085.db2.gz MYXQNKRXHVZNJI-UHFFFAOYSA-N -1 3 361.398 2.961 20 10 FFCDHM O=C(NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-])Nc1ccccc1 ZINC000279081152 511018026 /nfs/dbraw/zinc/01/80/26/511018026.db2.gz FAQQCJRSBULBOU-HNNXBMFYSA-N -1 3 369.421 2.914 20 10 FFCDHM C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162547 511042908 /nfs/dbraw/zinc/04/29/08/511042908.db2.gz BTTXNPXRCZGNKU-KBPBESRZSA-N -1 3 373.409 2.962 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000288535219 511079688 /nfs/dbraw/zinc/07/96/88/511079688.db2.gz KLPOQWCQFSRATL-BLLLJJGKSA-N -1 3 350.758 2.538 20 10 FFCDHM CSCC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1nnc2ccccn21 ZINC000271301113 511155907 /nfs/dbraw/zinc/15/59/07/511155907.db2.gz SHUKHDZKPIAJCO-ZDUSSCGKSA-N -1 3 372.450 2.673 20 10 FFCDHM CCN(Cc1ccc(OC)nn1)Cc1cc(Br)ccc1[O-] ZINC000283066670 511221055 /nfs/dbraw/zinc/22/10/55/511221055.db2.gz JUGOGBDUTKMBQD-UHFFFAOYSA-N -1 3 352.232 2.975 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1O ZINC000272784788 511506514 /nfs/dbraw/zinc/50/65/14/511506514.db2.gz VSZYGBAQNDMBRQ-UHFFFAOYSA-N -1 3 372.377 2.998 20 10 FFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC2(CCOCC2)O1 ZINC000280560154 511511480 /nfs/dbraw/zinc/51/14/80/511511480.db2.gz UVFFOPRJWITSMM-LBPRGKRZSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000273524484 511531191 /nfs/dbraw/zinc/53/11/91/511531191.db2.gz UWSHBJACHLCNMW-SECBINFHSA-N -1 3 357.332 2.782 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1c[nH]nc1C ZINC000274675425 511906581 /nfs/dbraw/zinc/90/65/81/511906581.db2.gz YWBAOGJZDMBGBX-UHFFFAOYSA-N -1 3 367.247 2.918 20 10 FFCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507053 511990057 /nfs/dbraw/zinc/99/00/57/511990057.db2.gz AJDZZNBRXLPZEA-BZNIZROVSA-N -1 3 353.825 2.864 20 10 FFCDHM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(O)c2[O-])c1C ZINC000274928716 511990851 /nfs/dbraw/zinc/99/08/51/511990851.db2.gz COIWSFCHJYNDNR-HNNXBMFYSA-N -1 3 372.446 2.868 20 10 FFCDHM COc1c([O-])c(CNCc2ccnc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000285301713 512070202 /nfs/dbraw/zinc/07/02/02/512070202.db2.gz VXGAFDJIHBQOLB-UHFFFAOYSA-N -1 3 355.297 2.595 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCc3c(sc4ncnc(N)c43)C2)c1[O-] ZINC000372063485 512699785 /nfs/dbraw/zinc/69/97/85/512699785.db2.gz RPPSKYZLRFQKJQ-UHFFFAOYSA-N -1 3 372.425 2.879 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)c([O-])c1O ZINC000370104847 512769569 /nfs/dbraw/zinc/76/95/69/512769569.db2.gz YEYMDQZPHPWXTE-UHFFFAOYSA-N -1 3 359.397 2.755 20 10 FFCDHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000368079159 512792417 /nfs/dbraw/zinc/79/24/17/512792417.db2.gz NZKMBBIIRAKEFR-MRXNPFEDSA-N -1 3 370.405 2.658 20 10 FFCDHM CN1CCCc2cc(CNc3ncc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000736855564 598391964 /nfs/dbraw/zinc/39/19/64/598391964.db2.gz DVMDYOFDBQHVIK-UHFFFAOYSA-N -1 3 355.833 2.910 20 10 FFCDHM CN1CCCc2cc(CNc3ncc(-c4nn[n-]n4)cc3Cl)ccc21 ZINC000736855564 598391966 /nfs/dbraw/zinc/39/19/66/598391966.db2.gz DVMDYOFDBQHVIK-UHFFFAOYSA-N -1 3 355.833 2.910 20 10 FFCDHM Cc1cc(C(=O)NCc2ccncc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236864 598609619 /nfs/dbraw/zinc/60/96/19/598609619.db2.gz SYBRBSVQWAFQEF-UHFFFAOYSA-N -1 3 373.420 2.599 20 10 FFCDHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(N2CCOCC2)cc1 ZINC000825501103 603540287 /nfs/dbraw/zinc/54/02/87/603540287.db2.gz BRJVFOKNYQGQBE-AWEZNQCLSA-N -1 3 356.426 2.859 20 10 FFCDHM C[C@H](c1ccccc1)[N@H+](CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1[O-] ZINC000833549238 605078102 /nfs/dbraw/zinc/07/81/02/605078102.db2.gz PQPGBJLDZJBRMK-MRXNPFEDSA-N -1 3 370.449 2.889 20 10 FFCDHM C[C@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1[O-] ZINC000833549238 605078107 /nfs/dbraw/zinc/07/81/07/605078107.db2.gz PQPGBJLDZJBRMK-MRXNPFEDSA-N -1 3 370.449 2.889 20 10 FFCDHM COc1ccc(O)c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC000833733418 605239074 /nfs/dbraw/zinc/23/90/74/605239074.db2.gz HHPMHFRHUVWSEK-CQSZACIVSA-N -1 3 356.422 2.810 20 10 FFCDHM COc1cc(N(C)Cc2cc(F)ccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000821719683 607068823 /nfs/dbraw/zinc/06/88/23/607068823.db2.gz HOPRVIPEABRJRU-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM COc1cc(N(C)Cc2cc(F)ccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000821719683 607068825 /nfs/dbraw/zinc/06/88/25/607068825.db2.gz HOPRVIPEABRJRU-UHFFFAOYSA-N -1 3 373.388 2.668 20 10 FFCDHM Cc1c(NCc2ccc(N3CCOCC3)c(F)c2)cccc1-c1nnn[n-]1 ZINC000826242598 609486685 /nfs/dbraw/zinc/48/66/85/609486685.db2.gz WDPCSASYGJJRBW-UHFFFAOYSA-N -1 3 368.416 2.763 20 10 FFCDHM Cc1c(NCc2ccc(N3CCOCC3)c(F)c2)cccc1-c1nn[n-]n1 ZINC000826242598 609486688 /nfs/dbraw/zinc/48/66/88/609486688.db2.gz WDPCSASYGJJRBW-UHFFFAOYSA-N -1 3 368.416 2.763 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000079432499 728313036 /nfs/dbraw/zinc/31/30/36/728313036.db2.gz IEFBZCSVEGVBIC-CQSZACIVSA-N -1 3 352.406 2.833 20 10 FFCDHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093909083 728478453 /nfs/dbraw/zinc/47/84/53/728478453.db2.gz FFRRXWCNSIDIHT-LLVKDONJSA-N -1 3 366.414 2.736 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000103265441 728495694 /nfs/dbraw/zinc/49/56/94/728495694.db2.gz XPNQSICUXYPFMC-UHFFFAOYSA-N -1 3 370.268 2.538 20 10 FFCDHM COC(=O)CN(Cc1c(C)nn(C)c1Cl)Cc1cc(Cl)ccc1[O-] ZINC000121234039 728622565 /nfs/dbraw/zinc/62/25/65/728622565.db2.gz LSNLOIVGJJZKHF-UHFFFAOYSA-N -1 3 372.252 2.916 20 10 FFCDHM O=C(c1ccc(F)cc1F)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180062065 729202527 /nfs/dbraw/zinc/20/25/27/729202527.db2.gz CCGUEUFEVFRKJZ-UHFFFAOYSA-N -1 3 350.340 2.768 20 10 FFCDHM C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863024324 730743413 /nfs/dbraw/zinc/74/34/13/730743413.db2.gz NGXCTCARLHFLBV-NEPJUHHUSA-N -1 3 350.415 2.616 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(CCO)Cc2cccnc2)c1 ZINC000781907237 738670986 /nfs/dbraw/zinc/67/09/86/738670986.db2.gz GNKUACRPTKBBDE-UHFFFAOYSA-N -1 3 351.244 2.853 20 10 FFCDHM O=C1OCCCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000897592325 735252540 /nfs/dbraw/zinc/25/25/40/735252540.db2.gz UPSVMOZBZFYKMQ-UHFFFAOYSA-N -1 3 369.259 2.961 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342136 736077825 /nfs/dbraw/zinc/07/78/25/736077825.db2.gz XGZBCWAVZLBOKX-SECBINFHSA-N -1 3 357.332 2.782 20 10 FFCDHM COCc1cnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000775686267 738113040 /nfs/dbraw/zinc/11/30/40/738113040.db2.gz GZOOPDHPFCXFAC-UHFFFAOYSA-N -1 3 370.858 2.824 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000776017627 738152617 /nfs/dbraw/zinc/15/26/17/738152617.db2.gz QHEBNPGAWHHGMU-LBPRGKRZSA-N -1 3 356.850 2.771 20 10 FFCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922677561 738183129 /nfs/dbraw/zinc/18/31/29/738183129.db2.gz ADOFOWCGUDOPHR-WDEREUQCSA-N -1 3 355.410 2.632 20 10 FFCDHM [O-]c1ccc(Br)cc1CNC1(c2ncccn2)CCOCC1 ZINC000923010058 738230149 /nfs/dbraw/zinc/23/01/49/738230149.db2.gz SASNBHKLYFAMIK-UHFFFAOYSA-N -1 3 364.243 2.740 20 10 FFCDHM CN(C(=O)CSCC(=O)NCc1c([O-])cccc1F)C1CCCCC1 ZINC000928710374 738898289 /nfs/dbraw/zinc/89/82/89/738898289.db2.gz CIZMBYHFOVOHPI-UHFFFAOYSA-N -1 3 368.474 2.672 20 10 FFCDHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000790873236 739507377 /nfs/dbraw/zinc/50/73/77/739507377.db2.gz JVLNHKXJYKKIEJ-GFCCVEGCSA-N -1 3 352.431 2.767 20 10 FFCDHM COC(=O)CN(Cc1cnc(Cl)cn1)Cc1cc(Cl)ccc1[O-] ZINC000799136660 740391047 /nfs/dbraw/zinc/39/10/47/740391047.db2.gz MVWTYWDCVMLCLJ-UHFFFAOYSA-N -1 3 356.209 2.664 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000819686452 742422654 /nfs/dbraw/zinc/42/26/54/742422654.db2.gz OXXGFNCKOBGFKO-CHWSQXEVSA-N -1 3 350.415 2.664 20 10 FFCDHM CN(C)C(=O)O[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000824616498 743117050 /nfs/dbraw/zinc/11/70/50/743117050.db2.gz WQSCHQYNBUWQFW-LBPRGKRZSA-N -1 3 357.248 2.817 20 10 FFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000824943908 743183903 /nfs/dbraw/zinc/18/39/03/743183903.db2.gz VYGVYJYGDZPXES-YCPHGPKFSA-N -1 3 356.260 2.923 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCN(Cc2cccnc2)CC1 ZINC000825451146 743273366 /nfs/dbraw/zinc/27/33/66/743273366.db2.gz QOOYACMYZCLTOM-UHFFFAOYSA-N -1 3 362.271 2.868 20 10 FFCDHM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000825634569 743304336 /nfs/dbraw/zinc/30/43/36/743304336.db2.gz OSJMPTRANAVIAQ-KBPBESRZSA-N -1 3 354.244 2.725 20 10 FFCDHM CCOC(=O)[C@H](NCc1ccc(Br)cc1[O-])C1CCOCC1 ZINC000825671133 743309054 /nfs/dbraw/zinc/30/90/54/743309054.db2.gz GDTOOIKTHSEBNS-OAHLLOKOSA-N -1 3 372.259 2.603 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000837120899 746370578 /nfs/dbraw/zinc/37/05/78/746370578.db2.gz GXEQEESVDVRSSX-VXGBXAGGSA-N -1 3 350.415 2.521 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000837769885 746514918 /nfs/dbraw/zinc/51/49/18/746514918.db2.gz GCVTZHIPALBZEL-ZDUSSCGKSA-N -1 3 359.344 2.919 20 10 FFCDHM Cc1cc([O-])c(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000840916948 747224778 /nfs/dbraw/zinc/22/47/78/747224778.db2.gz LXHRPHNGWOMPPA-HNNXBMFYSA-N -1 3 366.889 2.957 20 10 FFCDHM CCn1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000843832957 747906784 /nfs/dbraw/zinc/90/67/84/747906784.db2.gz ZDBKKYQOOVBXES-HNNXBMFYSA-N -1 3 362.861 2.656 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029973085 845055192 /nfs/dbraw/zinc/05/51/92/845055192.db2.gz DEFRXHJMFVECDH-UHFFFAOYSA-N -1 3 369.830 2.793 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])cccc2Cl)C1=O ZINC001275837036 1013058773 /nfs/dbraw/zinc/05/87/73/1013058773.db2.gz AOQBFRMQKXMSIL-SGTLLEGYSA-N -1 3 350.846 2.590 20 10 FFCDHM COc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000737054228 944939378 /nfs/dbraw/zinc/93/93/78/944939378.db2.gz OIFLTHPVTOSQMS-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000737054228 944939390 /nfs/dbraw/zinc/93/93/90/944939390.db2.gz OIFLTHPVTOSQMS-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3ccc(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001275895385 1013154938 /nfs/dbraw/zinc/15/49/38/1013154938.db2.gz ZSBSQPCLBYRPCQ-ZTFRIQLXSA-N -1 3 358.816 2.919 20 10 FFCDHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275957166 1013232953 /nfs/dbraw/zinc/23/29/53/1013232953.db2.gz PCVFXGXWRAGRLA-QGZVFWFLSA-N -1 3 360.351 2.893 20 10 FFCDHM Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c([O-])c1 ZINC000098093726 1013478183 /nfs/dbraw/zinc/47/81/83/1013478183.db2.gz NWTHNCJHBUVHGI-UHFFFAOYSA-N -1 3 354.450 2.839 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@]12CC(=O)N(C1CCCC1)C2 ZINC001271434039 972993043 /nfs/dbraw/zinc/99/30/43/972993043.db2.gz QXFYEJKLEQQSJK-FQEVSTJZSA-N -1 3 358.438 2.638 20 10 FFCDHM CC1(C(N)=O)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373254 975565376 /nfs/dbraw/zinc/56/53/76/975565376.db2.gz UYFSRWGAPXFTGC-UHFFFAOYSA-N -1 3 361.667 2.896 20 10 FFCDHM CCCCN(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1O ZINC001595742164 982405006 /nfs/dbraw/zinc/40/50/06/982405006.db2.gz VNRXOCXSOSUXLO-UHFFFAOYSA-N -1 3 362.470 2.898 20 10 FFCDHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(C)n1-c1ccccn1 ZINC000898210466 982637908 /nfs/dbraw/zinc/63/79/08/982637908.db2.gz HBNOJOHHVLZOSX-CQSZACIVSA-N -1 3 351.410 2.548 20 10 FFCDHM O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1c([O-])cccc1F ZINC000913951608 987058719 /nfs/dbraw/zinc/05/87/19/987058719.db2.gz IJUMOHIBMWZPLO-UHFFFAOYSA-N -1 3 357.385 2.658 20 10 FFCDHM CN(C)C(=O)C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000914364927 987457093 /nfs/dbraw/zinc/45/70/93/987457093.db2.gz HXGILPOITPKKNA-MRXNPFEDSA-N -1 3 359.401 2.550 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1[O-] ZINC000175592739 991223801 /nfs/dbraw/zinc/22/38/01/991223801.db2.gz VTSVDJXVLAMBLN-SFHVURJKSA-N -1 3 356.397 2.797 20 10 FFCDHM C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220839 994317843 /nfs/dbraw/zinc/31/78/43/994317843.db2.gz VWQIOSSISCQIJF-GFCCVEGCSA-N -1 3 358.394 2.639 20 10 FFCDHM C[C@@H](NCc1cc(OCC(F)F)ccn1)c1cc(C(=O)[O-])ccc1O ZINC001593291702 994670445 /nfs/dbraw/zinc/67/04/45/994670445.db2.gz BEULVGMTAKALQN-SNVBAGLBSA-N -1 3 352.337 2.980 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccc(OC)cc3C(=O)N2C2CC2)c1 ZINC000730272201 997049674 /nfs/dbraw/zinc/04/96/74/997049674.db2.gz GQROTGMWBNCFPX-GOSISDBHSA-N -1 3 368.389 2.916 20 10 FFCDHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(C)n1-c1ccc(F)cc1 ZINC001144519141 998618077 /nfs/dbraw/zinc/61/80/77/998618077.db2.gz DWWNPOHGIOGIII-UHFFFAOYSA-N -1 3 372.425 2.948 20 10 FFCDHM Nc1cc(F)c(Br)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586696 1001175897 /nfs/dbraw/zinc/17/58/97/1001175897.db2.gz UNTICBZCOUIAFR-UHFFFAOYSA-N -1 3 357.135 2.540 20 10 FFCDHM Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cccc(O)c3[O-])C2=O)c(C)c1 ZINC000789894284 1002228618 /nfs/dbraw/zinc/22/86/18/1002228618.db2.gz HDTOZXGRJSIGRH-OAHLLOKOSA-N -1 3 354.406 2.558 20 10 FFCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OC[C@H]2CCOC2)c1 ZINC000790874603 1002505216 /nfs/dbraw/zinc/50/52/16/1002505216.db2.gz SDZABUVVQVJZSW-AWEZNQCLSA-N -1 3 357.406 2.752 20 10 FFCDHM COc1c([O-])c(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000774876617 1002940091 /nfs/dbraw/zinc/94/00/91/1002940091.db2.gz BOKYCTABZQOUMI-MRXNPFEDSA-N -1 3 371.393 2.546 20 10 FFCDHM COc1c([O-])c(CNCc2ccn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000774983050 1003207290 /nfs/dbraw/zinc/20/72/90/1003207290.db2.gz NVOLVIMJOOJPNV-UHFFFAOYSA-N -1 3 354.366 2.785 20 10 FFCDHM COc1c([O-])c(CNc2cnn(Cc3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000775049177 1003425991 /nfs/dbraw/zinc/42/59/91/1003425991.db2.gz TYUPFENTEVWYNE-UHFFFAOYSA-N -1 3 355.354 2.561 20 10 FFCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000804845694 1003855846 /nfs/dbraw/zinc/85/58/46/1003855846.db2.gz PRMGHPIKPWJRJP-JMSVASOKSA-N -1 3 364.442 2.862 20 10 FFCDHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc(O)c1O ZINC001193097643 1004372667 /nfs/dbraw/zinc/37/26/67/1004372667.db2.gz JYVXHKLKYRJZSV-UHFFFAOYSA-N -1 3 354.156 2.827 20 10 FFCDHM COc1cccc(CNC(=O)c2cc([O-])cc(Br)c2)c1O ZINC001545684461 1005514206 /nfs/dbraw/zinc/51/42/06/1005514206.db2.gz XMJMIQDRLXVXDQ-UHFFFAOYSA-N -1 3 352.184 2.799 20 10 FFCDHM CC1(C)C[C@]1(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000856457878 1007833922 /nfs/dbraw/zinc/83/39/22/1007833922.db2.gz LOOAALKKPFORCL-IBGZPJMESA-N -1 3 374.462 2.819 20 10 FFCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(OC)cc3[O-])C2)cc1 ZINC000819582542 1008181695 /nfs/dbraw/zinc/18/16/95/1008181695.db2.gz IURYXGUIZMOSKY-AWEZNQCLSA-N -1 3 356.422 2.666 20 10 FFCDHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(C)n1-c1cccc(C)c1 ZINC000819869499 1008240702 /nfs/dbraw/zinc/24/07/02/1008240702.db2.gz RRTDMRTVQOAQBL-UHFFFAOYSA-N -1 3 352.438 2.788 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCc2nccn2C1 ZINC001178119322 1008865702 /nfs/dbraw/zinc/86/57/02/1008865702.db2.gz ORXBOAGWTGHPIP-NSHDSACASA-N -1 3 356.813 2.669 20 10 FFCDHM O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)[N-]OCc1ccccc1 ZINC000123506456 1012748601 /nfs/dbraw/zinc/74/86/01/1012748601.db2.gz BNTDXWDGPBQVFE-LJQANCHMSA-N -1 3 370.449 2.621 20 10 FFCDHM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928705600 1019084122 /nfs/dbraw/zinc/08/41/22/1019084122.db2.gz LVKCXLBEPUTPEV-AWEZNQCLSA-N -1 3 365.449 2.615 20 10 FFCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)c(S(C)(=O)=O)c1 ZINC001217836663 1032881742 /nfs/dbraw/zinc/88/17/42/1032881742.db2.gz AZWNBQALGVGUSK-UHFFFAOYSA-N -1 3 352.387 2.565 20 10 FFCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1N1CCCC1=O ZINC000751532378 1022858763 /nfs/dbraw/zinc/85/87/63/1022858763.db2.gz ANUVQMYKTRBXOE-UHFFFAOYSA-N -1 3 356.378 2.794 20 10 FFCDHM CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756481236 1023716957 /nfs/dbraw/zinc/71/69/57/1023716957.db2.gz WDPSBUQPDXVGML-AWEZNQCLSA-N -1 3 357.410 3.000 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000756868005 1023760845 /nfs/dbraw/zinc/76/08/45/1023760845.db2.gz PIGAQEXJPGCVFA-CYBMUJFWSA-N -1 3 352.394 2.992 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](CO)[C@@H]1C ZINC001122036618 1024279062 /nfs/dbraw/zinc/27/90/62/1024279062.db2.gz TZCOBTMZBJWPBI-NWDGAFQWSA-N -1 3 373.482 2.878 20 10 FFCDHM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193021110 1024352229 /nfs/dbraw/zinc/35/22/29/1024352229.db2.gz MJISSLNVLBXDOL-GFCCVEGCSA-N -1 3 362.376 2.895 20 10 FFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000193134245 1024397837 /nfs/dbraw/zinc/39/78/37/1024397837.db2.gz NVEARVBJHQGJQT-MJGOQNOKSA-N -1 3 370.449 2.507 20 10 FFCDHM CN(C)c1nc(NCc2cc(Cl)c3cccnc3c2[O-])nc2nc[nH]c21 ZINC001157726786 1029652312 /nfs/dbraw/zinc/65/23/12/1029652312.db2.gz ZGVMKTIPVNEYPD-UHFFFAOYSA-N -1 3 369.816 2.938 20 10 FFCDHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(F)c(F)cc3[O-])O2)n1 ZINC001142517463 1030565896 /nfs/dbraw/zinc/56/58/96/1030565896.db2.gz OFUOONFJMHMPAV-BMFZPTHFSA-N -1 3 351.353 2.856 20 10 FFCDHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC001142796355 1030888916 /nfs/dbraw/zinc/88/89/16/1030888916.db2.gz XHXLYPJPFZFBEO-AWEZNQCLSA-N -1 3 358.419 2.560 20 10 FFCDHM CC[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000796918351 1030954021 /nfs/dbraw/zinc/95/40/21/1030954021.db2.gz KZAKVDUEGZTLTJ-MRXNPFEDSA-N -1 3 359.401 2.700 20 10 FFCDHM CC(C)CN1C[C@@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276967658 1033864722 /nfs/dbraw/zinc/86/47/22/1033864722.db2.gz RVMLGXUVSHLHHV-SFHVURJKSA-N -1 3 370.852 2.644 20 10 FFCDHM C=CC(=O)OC[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380458 1034659587 /nfs/dbraw/zinc/65/95/87/1034659587.db2.gz VULRYZLUDCHJGT-LLVKDONJSA-N -1 3 352.342 2.664 20 10 FFCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2nnn(CC)c21 ZINC001140338756 1035443745 /nfs/dbraw/zinc/44/37/45/1035443745.db2.gz OPJFXSWXLPBYNN-LBPRGKRZSA-N -1 3 350.850 2.793 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC001140341186 1035444307 /nfs/dbraw/zinc/44/43/07/1035444307.db2.gz BBTZCLZPSMXKNT-UKRRQHHQSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461395 1035484289 /nfs/dbraw/zinc/48/42/89/1035484289.db2.gz KTSDNMNKSTYIGF-ZIAGYGMSSA-N -1 3 356.850 2.506 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2OCCN(Cc3ccc(Cl)cc3[O-])[C@@H]2C1 ZINC001140463297 1035484491 /nfs/dbraw/zinc/48/44/91/1035484491.db2.gz ZGEKETZTOWBLAL-GDBMZVCRSA-N -1 3 368.861 2.866 20 10 FFCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nnn(CC)c21 ZINC001140466523 1035485323 /nfs/dbraw/zinc/48/53/23/1035485323.db2.gz FHQSEERIBIBGAY-CYBMUJFWSA-N -1 3 350.850 2.793 20 10 FFCDHM CC(C)N(C)C(=O)C1=NO[C@]2(CCN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140467499 1035486273 /nfs/dbraw/zinc/48/62/73/1035486273.db2.gz RSIOLQZGCODRSQ-GOSISDBHSA-N -1 3 365.861 2.633 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1O ZINC001232258242 1035529080 /nfs/dbraw/zinc/52/90/80/1035529080.db2.gz STRDOIVLDKHHQP-TXEJJXNPSA-N -1 3 354.834 2.945 20 10 FFCDHM CCN1CC(Oc2cc(OC)cc3c2C(=O)c2c([O-])cc(C)cc2C3=O)C1 ZINC001227395099 1035533459 /nfs/dbraw/zinc/53/34/59/1035533459.db2.gz LVJJQWBXBBBJHA-UHFFFAOYSA-N -1 3 367.401 2.568 20 10 FFCDHM CCOC(=O)c1nc2c(s1)CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581278 1035661749 /nfs/dbraw/zinc/66/17/49/1035661749.db2.gz NZCUNNRXUVYATN-UHFFFAOYSA-N -1 3 368.405 2.904 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CC2(C1)CCOCC2 ZINC001232978581 1036209480 /nfs/dbraw/zinc/20/94/80/1036209480.db2.gz KYWCXSZUDWNVPT-UHFFFAOYSA-N -1 3 359.207 2.609 20 10 FFCDHM CC(C)[C@@H]1COCCN1Cc1ccc(I)cc1[O-] ZINC001232979884 1036214597 /nfs/dbraw/zinc/21/45/97/1036214597.db2.gz JSSBIVYQLPMXRI-ZDUSSCGKSA-N -1 3 361.223 2.854 20 10 FFCDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(Br)c(OC)cc1[O-] ZINC001233137435 1036385029 /nfs/dbraw/zinc/38/50/29/1036385029.db2.gz NJNNSIMQSLDWQO-BZNIZROVSA-N -1 3 370.243 2.691 20 10 FFCDHM CCOC(=O)CN(Cc1cc(Br)c(OC)cc1[O-])C1CC1 ZINC001233143172 1036394830 /nfs/dbraw/zinc/39/48/30/1036394830.db2.gz ZDRYBSZHTIIIFU-UHFFFAOYSA-N -1 3 358.232 2.691 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](C)[C@H]2CO)c1 ZINC001233306572 1036512262 /nfs/dbraw/zinc/51/22/62/1036512262.db2.gz VIKSNZMIXUOTIQ-QMTHXVAHSA-N -1 3 372.259 2.534 20 10 FFCDHM COc1c(O[C@H]2COC[C@@H]2C)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127777 1036930779 /nfs/dbraw/zinc/93/07/79/1036930779.db2.gz VCWCLKCBHINEOZ-NHYWBVRUSA-N -1 3 368.385 2.898 20 10 FFCDHM COc1c(O[C@@H]2CCN(C)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234126268 1036931527 /nfs/dbraw/zinc/93/15/27/1036931527.db2.gz CSJSDTOIROQBSC-GFCCVEGCSA-N -1 3 367.401 2.568 20 10 FFCDHM O=C1CCCC[C@@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234752766 1037169900 /nfs/dbraw/zinc/16/99/00/1037169900.db2.gz JDLKWLQXBODSOY-AWEZNQCLSA-N -1 3 356.330 2.954 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@H]21 ZINC001235074082 1037343971 /nfs/dbraw/zinc/34/39/71/1037343971.db2.gz DTTUGOHLJVBAGM-QMTHXVAHSA-N -1 3 371.250 2.737 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCCC[C@](O)(CF)C1 ZINC001235298727 1037460244 /nfs/dbraw/zinc/46/02/44/1037460244.db2.gz TUPDBYOTSJSSPV-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447881 1037586503 /nfs/dbraw/zinc/58/65/03/1037586503.db2.gz XQORGXBPENLLRY-LJQANCHMSA-N -1 3 364.442 2.970 20 10 FFCDHM CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447881 1037586508 /nfs/dbraw/zinc/58/65/08/1037586508.db2.gz XQORGXBPENLLRY-LJQANCHMSA-N -1 3 364.442 2.970 20 10 FFCDHM COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC001231449269 1037588257 /nfs/dbraw/zinc/58/82/57/1037588257.db2.gz IICFQKVHOFGPCI-AEFFLSMTSA-N -1 3 355.390 2.827 20 10 FFCDHM COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC001231449269 1037588270 /nfs/dbraw/zinc/58/82/70/1037588270.db2.gz IICFQKVHOFGPCI-AEFFLSMTSA-N -1 3 355.390 2.827 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450816 1037588762 /nfs/dbraw/zinc/58/87/62/1037588762.db2.gz VTBWXFABHZVBPA-IBGZPJMESA-N -1 3 362.426 2.676 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450816 1037588784 /nfs/dbraw/zinc/58/87/84/1037588784.db2.gz VTBWXFABHZVBPA-IBGZPJMESA-N -1 3 362.426 2.676 20 10 FFCDHM Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(C(=O)[O-])cc2[O-])o1 ZINC001231450092 1037589493 /nfs/dbraw/zinc/58/94/93/1037589493.db2.gz PRAHZNZJAJTHLD-MSOLQXFVSA-N -1 3 356.422 2.841 20 10 FFCDHM Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(C(=O)[O-])cc2[O-])o1 ZINC001231450092 1037589509 /nfs/dbraw/zinc/58/95/09/1037589509.db2.gz PRAHZNZJAJTHLD-MSOLQXFVSA-N -1 3 356.422 2.841 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c([O-])c1 ZINC001231452982 1037595700 /nfs/dbraw/zinc/59/57/00/1037595700.db2.gz YTDPAQQGYFRITE-UHFFFAOYSA-N -1 3 369.377 2.539 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1Cl ZINC001231867025 1037962519 /nfs/dbraw/zinc/96/25/19/1037962519.db2.gz GOKZVPSAQDDKMC-CQSZACIVSA-N -1 3 370.877 2.768 20 10 FFCDHM [O-]c1c(Cl)cccc1CN1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001231909488 1038000692 /nfs/dbraw/zinc/00/06/92/1038000692.db2.gz AOEGUNFWALKUOA-LJQANCHMSA-N -1 3 374.872 2.565 20 10 FFCDHM CC1=NC2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)C(=O)N1C ZINC001236803650 1038280269 /nfs/dbraw/zinc/28/02/69/1038280269.db2.gz NSIFSDOYAATUHB-UHFFFAOYSA-N -1 3 356.253 2.924 20 10 FFCDHM COc1cc([O-])c(CN(C)Cc2cc(C)nn2C)c(Br)c1 ZINC001237072855 1038434884 /nfs/dbraw/zinc/43/48/84/1038434884.db2.gz LPKFVMOBUHHIFC-UHFFFAOYSA-N -1 3 354.248 2.837 20 10 FFCDHM O=C1CC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)CC(=O)N1 ZINC001237084594 1038440159 /nfs/dbraw/zinc/44/01/59/1038440159.db2.gz LPXMEKJQRMSULW-UHFFFAOYSA-N -1 3 357.237 2.718 20 10 FFCDHM CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605592 1038620973 /nfs/dbraw/zinc/62/09/73/1038620973.db2.gz LXCKFQAJNRDLQU-IAGOWNOFSA-N -1 3 358.438 2.622 20 10 FFCDHM CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605592 1038620975 /nfs/dbraw/zinc/62/09/75/1038620975.db2.gz LXCKFQAJNRDLQU-IAGOWNOFSA-N -1 3 358.438 2.622 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001209529666 1038959733 /nfs/dbraw/zinc/95/97/33/1038959733.db2.gz USEMPSOEQRQIBX-UHFFFAOYSA-N -1 3 357.838 2.727 20 10 FFCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1O ZINC001259369550 1039945813 /nfs/dbraw/zinc/94/58/13/1039945813.db2.gz HVLZSUIHFRCCER-UHFFFAOYSA-N -1 3 357.391 2.581 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCC[C@H](NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001254190213 1040607331 /nfs/dbraw/zinc/60/73/31/1040607331.db2.gz MUDIMGJJEGVRII-AWEZNQCLSA-N -1 3 364.442 2.660 20 10 FFCDHM COCCOc1ccc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC001237282987 1043091836 /nfs/dbraw/zinc/09/18/36/1043091836.db2.gz IJKGQCLHQTZHHV-UHFFFAOYSA-N -1 3 360.429 2.879 20 10 FFCDHM Cc1cc([O-])c(CN2CCn3c(nnc3C3CC3)C2)cc1Br ZINC001237679806 1043306880 /nfs/dbraw/zinc/30/68/80/1043306880.db2.gz UOSHDJRMMPUQCP-UHFFFAOYSA-N -1 3 363.259 2.948 20 10 FFCDHM CC(=O)[C@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237783847 1043354977 /nfs/dbraw/zinc/35/49/77/1043354977.db2.gz OYSQNAXDUZFUKT-NSHDSACASA-N -1 3 359.207 2.798 20 10 FFCDHM C[C@@H]1CCN(Cc2cccc(I)c2[O-])C[C@@]1(C)O ZINC001237775086 1043350493 /nfs/dbraw/zinc/35/04/93/1043350493.db2.gz CKHYKSIMJJUEFR-QMTHXVAHSA-N -1 3 361.223 2.590 20 10 FFCDHM Cc1cc(CN(C)Cc2cccc(I)c2[O-])n(C)n1 ZINC001237776467 1043350964 /nfs/dbraw/zinc/35/09/64/1043350964.db2.gz AUANKTWLPLOOBK-UHFFFAOYSA-N -1 3 371.222 2.671 20 10 FFCDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279685621 1043467034 /nfs/dbraw/zinc/46/70/34/1043467034.db2.gz ZJAVFVNSCARZRY-RYUDHWBXSA-N -1 3 355.841 2.809 20 10 FFCDHM O=C([C@@H]1CCN(Cc2cc(Cl)ccc2[O-])Cc2ccnn21)N1CC=CC1 ZINC001279983940 1044035070 /nfs/dbraw/zinc/03/50/70/1044035070.db2.gz WJJBGCAVPKMUNK-KRWDZBQOSA-N -1 3 372.856 2.588 20 10 FFCDHM COC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])c(OC(F)F)c1 ZINC001293028254 1049467484 /nfs/dbraw/zinc/46/74/84/1049467484.db2.gz ASVVFKQEYHFXMJ-UHFFFAOYSA-N -1 3 353.277 2.738 20 10 FFCDHM CCN(C[C@H]1CCCO1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340094448 1050498046 /nfs/dbraw/zinc/49/80/46/1050498046.db2.gz DJZPQZPZANNOIR-LLVKDONJSA-N -1 3 359.455 2.803 20 10 FFCDHM COc1nc(Cl)c(CNCc2cccc(Br)c2[O-])n1C ZINC001343923763 1052491583 /nfs/dbraw/zinc/49/15/83/1052491583.db2.gz SKBGUWWLLCPPOW-UHFFFAOYSA-N -1 3 360.639 2.840 20 10 FFCDHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC001542940033 1071342855 /nfs/dbraw/zinc/34/28/55/1071342855.db2.gz GMEIFSTWESLHEG-KRWDZBQOSA-N -1 3 352.438 2.644 20 10 FFCDHM CCCOc1ccc(NC(=O)C(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001516999906 1060296763 /nfs/dbraw/zinc/29/67/63/1060296763.db2.gz DORRDYHSDGKKRW-UHFFFAOYSA-N -1 3 360.385 2.883 20 10 FFCDHM CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001517000459 1060297136 /nfs/dbraw/zinc/29/71/36/1060297136.db2.gz IJVUJEKMOYBQOD-UHFFFAOYSA-N -1 3 360.385 2.964 20 10 FFCDHM CN(C)c1cc(NC(=O)c2cccc(O)c2[O-])ncc1Br ZINC001457807383 1060448645 /nfs/dbraw/zinc/44/86/45/1060448645.db2.gz ROXOIBCLLXNLAK-UHFFFAOYSA-N -1 3 352.188 2.574 20 10 FFCDHM COC(=O)CN(CCCOCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC001459688892 1060796205 /nfs/dbraw/zinc/79/62/05/1060796205.db2.gz VQRRZGFANRYLFA-UHFFFAOYSA-N -1 3 369.767 2.990 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(OC)cnc1F ZINC001461975393 1061465745 /nfs/dbraw/zinc/46/57/45/1061465745.db2.gz PNKCIWHWBNKZAH-UHFFFAOYSA-N -1 3 368.792 2.764 20 10 FFCDHM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC001465206282 1063004957 /nfs/dbraw/zinc/00/49/57/1063004957.db2.gz CXSDNOHHHPEMJM-SFHVURJKSA-N -1 3 352.431 2.767 20 10 FFCDHM O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1cccc(O)c1[O-] ZINC001465662021 1063172544 /nfs/dbraw/zinc/17/25/44/1063172544.db2.gz FEIQZTJIYRKGCH-OAHLLOKOSA-N -1 3 357.797 2.967 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNCc2nnnn2-c2ccccc2)c1 ZINC001473985884 1065433018 /nfs/dbraw/zinc/43/30/18/1065433018.db2.gz YIDQTJMSRIOJHP-UHFFFAOYSA-N -1 3 374.242 2.729 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)c1 ZINC001580046226 1078738541 /nfs/dbraw/zinc/73/85/41/1078738541.db2.gz HQBWQUCCQVDKRN-LLVKDONJSA-N -1 3 368.397 2.772 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)c1 ZINC001580046226 1078738546 /nfs/dbraw/zinc/73/85/46/1078738546.db2.gz HQBWQUCCQVDKRN-LLVKDONJSA-N -1 3 368.397 2.772 20 10 FFCDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC001580932583 1078895125 /nfs/dbraw/zinc/89/51/25/1078895125.db2.gz YSGHNMZISAKHGM-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC001580932583 1078895133 /nfs/dbraw/zinc/89/51/33/1078895133.db2.gz YSGHNMZISAKHGM-UHFFFAOYSA-N -1 3 369.404 2.702 20 10 FFCDHM O=C(NCc1c(O)ccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC001582542933 1079061416 /nfs/dbraw/zinc/06/14/16/1079061416.db2.gz RBWKZCAOLAGOIE-UHFFFAOYSA-N -1 3 363.352 2.795 20 10 FFCDHM O=C(NCc1c(O)ccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC001582542933 1079061423 /nfs/dbraw/zinc/06/14/23/1079061423.db2.gz RBWKZCAOLAGOIE-UHFFFAOYSA-N -1 3 363.352 2.795 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001560874414 1076305227 /nfs/dbraw/zinc/30/52/27/1076305227.db2.gz YARAEWBKLUAQRH-ZDUSSCGKSA-N -1 3 372.412 2.786 20 10 FFCDHM CC(=Cc1cccnc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588772765 1080189615 /nfs/dbraw/zinc/18/96/15/1080189615.db2.gz RKXVWUNSEQSGEY-DHZHZOJOSA-N -1 3 354.801 2.981 20 10 FFCDHM CC(=Cc1cccnc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588772765 1080189618 /nfs/dbraw/zinc/18/96/18/1080189618.db2.gz RKXVWUNSEQSGEY-DHZHZOJOSA-N -1 3 354.801 2.981 20 10 FFCDHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccc(N(C)C)cc1 ZINC001589935815 1080879201 /nfs/dbraw/zinc/87/92/01/1080879201.db2.gz MKTIHLYUYBHQTI-NSHDSACASA-N -1 3 371.470 2.555 20 10 FFCDHM C[C@](O)(CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000371116897 512226523 /nfs/dbraw/zinc/22/65/23/512226523.db2.gz HJGPXRGUMKEGCW-APWZRJJASA-N -1 3 366.889 2.677 20 10 FFCDHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398049 507350714 /nfs/dbraw/zinc/35/07/14/507350714.db2.gz QOKZXHRKTGZHTN-UHFFFAOYSA-N -1 3 368.480 2.982 20 10 FFCDHM COC(=O)CN(Cc1noc(C(C)C)n1)Cc1cc(Cl)ccc1[O-] ZINC000109779988 507986551 /nfs/dbraw/zinc/98/65/51/507986551.db2.gz AXONLQNREIWTRJ-UHFFFAOYSA-N -1 3 353.806 2.727 20 10 FFCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1c1ccccc1 ZINC000091984401 508029546 /nfs/dbraw/zinc/02/95/46/508029546.db2.gz FQLHLUFLFDFRFT-YVEFUNNKSA-N -1 3 360.435 2.597 20 10 FFCDHM COc1ccc(CN(C)C(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000111236054 508081120 /nfs/dbraw/zinc/08/11/20/508081120.db2.gz IDHDWZNFWROYCO-OAHLLOKOSA-N -1 3 372.465 2.888 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000093910693 508160652 /nfs/dbraw/zinc/16/06/52/508160652.db2.gz DOBZUANUKBGYDA-MRXNPFEDSA-N -1 3 374.462 2.611 20 10 FFCDHM Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c([O-])c1O ZINC000179533132 509498109 /nfs/dbraw/zinc/49/81/09/509498109.db2.gz PSWHJABSPRGUMV-MRXNPFEDSA-N -1 3 368.433 2.831 20 10 FFCDHM Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c([O-])c1O ZINC000179533147 509498553 /nfs/dbraw/zinc/49/85/53/509498553.db2.gz PSWHJABSPRGUMV-INIZCTEOSA-N -1 3 368.433 2.831 20 10 FFCDHM COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000186050041 509498887 /nfs/dbraw/zinc/49/88/87/509498887.db2.gz BFVBUADTESFAMO-ACJLOTCBSA-N -1 3 358.413 2.992 20 10 FFCDHM CN(C)S(=O)(=O)c1ccc(CNCc2cccc(Cl)c2[O-])cc1 ZINC000179748080 509603455 /nfs/dbraw/zinc/60/34/55/509603455.db2.gz WYJUNZYRXITBSB-UHFFFAOYSA-N -1 3 354.859 2.586 20 10 FFCDHM COc1ccc(CN2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000177665303 510189607 /nfs/dbraw/zinc/18/96/07/510189607.db2.gz OWQMZANYUPAGAS-UHFFFAOYSA-N -1 3 370.449 2.763 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185322532 510806846 /nfs/dbraw/zinc/80/68/46/510806846.db2.gz OFIROCGHLVIYRN-RYUDHWBXSA-N -1 3 352.431 2.851 20 10 FFCDHM O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1c(F)ccc(O)c1[O-] ZINC000276535043 510940735 /nfs/dbraw/zinc/94/07/35/510940735.db2.gz FOJBHEMKZBTTFL-GFCCVEGCSA-N -1 3 364.442 2.940 20 10 FFCDHM C[C@H](C1CCOCC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277147005 510956100 /nfs/dbraw/zinc/95/61/00/510956100.db2.gz AKJWFIXNNNWDIP-LLVKDONJSA-N -1 3 352.818 2.625 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC[C@@H]1CCCCO1 ZINC000277524972 510964827 /nfs/dbraw/zinc/96/48/27/510964827.db2.gz XFDPXVWTOASDEQ-AWEZNQCLSA-N -1 3 352.818 2.769 20 10 FFCDHM C[C@@H]1C[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000278220326 510984661 /nfs/dbraw/zinc/98/46/61/510984661.db2.gz XBUTVGDMXSVOHR-VXGBXAGGSA-N -1 3 352.818 2.625 20 10 FFCDHM COc1c([O-])c(CNc2ccccc2C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000278514967 510995397 /nfs/dbraw/zinc/99/53/97/510995397.db2.gz QQCMHDDARNVAIN-DEOSSOPVSA-N -1 3 350.396 2.800 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1ncc[nH]1 ZINC000279556237 511126567 /nfs/dbraw/zinc/12/65/67/511126567.db2.gz YBWPVNPURWXYFS-UHFFFAOYSA-N -1 3 352.232 2.859 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)c([O-])c1O ZINC000279579575 511134271 /nfs/dbraw/zinc/13/42/71/511134271.db2.gz SGQISTRQLCSDGS-UHFFFAOYSA-N -1 3 355.438 2.959 20 10 FFCDHM Cc1cc(Br)cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000279740296 511196282 /nfs/dbraw/zinc/19/62/82/511196282.db2.gz XGLLXFQJVQTQMQ-BLLLJJGKSA-N -1 3 356.260 2.843 20 10 FFCDHM O=C(CCc1ccncn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000365186914 511307058 /nfs/dbraw/zinc/30/70/58/511307058.db2.gz ZDDKJNALCHKZCF-KRWDZBQOSA-N -1 3 374.872 2.549 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000283695474 511465279 /nfs/dbraw/zinc/46/52/79/511465279.db2.gz XPBCKKMFFJMKNS-UHFFFAOYSA-N -1 3 356.397 2.904 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1O ZINC000272766538 511506774 /nfs/dbraw/zinc/50/67/74/511506774.db2.gz RJYPYLSUWZCYEE-GXTWGEPZSA-N -1 3 364.442 2.782 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000273610858 511550869 /nfs/dbraw/zinc/55/08/69/511550869.db2.gz VTJZLKZODUXHLJ-KDOFPFPSSA-N -1 3 370.449 2.529 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000375823212 512525973 /nfs/dbraw/zinc/52/59/73/512525973.db2.gz JGWDUACDZNTOTH-FUHWJXTLSA-N -1 3 361.417 2.556 20 10 FFCDHM O=C(CC[C@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000376612975 512899294 /nfs/dbraw/zinc/89/92/94/512899294.db2.gz XYZNVGNGSPXKAG-YOEHRIQHSA-N -1 3 366.889 2.943 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(=O)[nH]1 ZINC000377066243 513106158 /nfs/dbraw/zinc/10/61/58/513106158.db2.gz HGYLJNNBMODOIE-GFCCVEGCSA-N -1 3 367.858 2.602 20 10 FFCDHM Cc1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822399148 607404683 /nfs/dbraw/zinc/40/46/83/607404683.db2.gz ANIIZFMTJWGGFU-ZZXKWVIFSA-N -1 3 354.801 2.900 20 10 FFCDHM Cc1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822399148 607404684 /nfs/dbraw/zinc/40/46/84/607404684.db2.gz ANIIZFMTJWGGFU-ZZXKWVIFSA-N -1 3 354.801 2.900 20 10 FFCDHM Oc1ccccc1CN(Cc1ccco1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826511345 607520794 /nfs/dbraw/zinc/52/07/94/607520794.db2.gz LULDRSZKVSWQCO-UHFFFAOYSA-N -1 3 362.393 2.763 20 10 FFCDHM Cc1cc(C(=O)N2CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168900 606439054 /nfs/dbraw/zinc/43/90/54/606439054.db2.gz VEMZWKKJXLDEIR-LBPRGKRZSA-N -1 3 350.426 2.899 20 10 FFCDHM Fc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC000822772200 606836124 /nfs/dbraw/zinc/83/61/24/606836124.db2.gz UACLAAQVHYHRQE-UHFFFAOYSA-N -1 3 363.809 2.541 20 10 FFCDHM Fc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000822772200 606836126 /nfs/dbraw/zinc/83/61/26/606836126.db2.gz UACLAAQVHYHRQE-UHFFFAOYSA-N -1 3 363.809 2.541 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000080101901 728321906 /nfs/dbraw/zinc/32/19/06/728321906.db2.gz FXRLWMNXJIGCKN-OLZOCXBDSA-N -1 3 362.451 2.686 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000111238370 728535422 /nfs/dbraw/zinc/53/54/22/728535422.db2.gz GTYBLFQAYYFRTP-QGZVFWFLSA-N -1 3 367.804 2.893 20 10 FFCDHM C[C@@H](CS(C)(=O)=O)N(Cc1c([O-])cccc1Br)C1CC1 ZINC000862245624 730681083 /nfs/dbraw/zinc/68/10/83/730681083.db2.gz UKBNFNSNEGEZQU-JTQLQIEISA-N -1 3 362.289 2.552 20 10 FFCDHM O=C1NCCN(Cc2c([O-])cccc2Br)[C@@H]1c1cccs1 ZINC000862247794 730681438 /nfs/dbraw/zinc/68/14/38/730681438.db2.gz CJWBLDLGQYRLQE-CQSZACIVSA-N -1 3 367.268 2.889 20 10 FFCDHM CC(C)(C)NC(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862328989 730688540 /nfs/dbraw/zinc/68/85/40/730688540.db2.gz UNTWRPPRZPNBTA-UHFFFAOYSA-N -1 3 370.291 2.780 20 10 FFCDHM CCOC(=O)[C@@H](NCc1c([O-])cccc1Br)C1CCOCC1 ZINC000862338609 730690272 /nfs/dbraw/zinc/69/02/72/730690272.db2.gz FJOGURCTWUMNJL-HNNXBMFYSA-N -1 3 372.259 2.603 20 10 FFCDHM O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)NCc1c([O-])cccc1F ZINC000926298029 738594578 /nfs/dbraw/zinc/59/45/78/738594578.db2.gz KUTYMCWTDSOJKY-NOZJJQNGSA-N -1 3 350.312 2.831 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(CCS(C)(=O)=O)C(C)C)c1 ZINC000781908635 738670569 /nfs/dbraw/zinc/67/05/69/738670569.db2.gz KQHSFCALUAOCTH-UHFFFAOYSA-N -1 3 364.305 2.718 20 10 FFCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000893977247 734781195 /nfs/dbraw/zinc/78/11/95/734781195.db2.gz CQZODCCBVLCWBK-SNVBAGLBSA-N -1 3 356.394 2.511 20 10 FFCDHM NC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894077111 734797592 /nfs/dbraw/zinc/79/75/92/734797592.db2.gz WXUAKBNXLOKYLX-SECBINFHSA-N -1 3 361.667 2.896 20 10 FFCDHM COc1ccc(NCc2cc(C)cc(OC)c2O)cc1[N-]S(C)(=O)=O ZINC000894117371 734804541 /nfs/dbraw/zinc/80/45/41/734804541.db2.gz NYIJHLSJMRJRIM-UHFFFAOYSA-N -1 3 366.439 2.701 20 10 FFCDHM O=S(=O)(C1CCN(Cc2cccc(Cl)c2[O-])CC1)N1CCCCC1 ZINC000897273403 735214118 /nfs/dbraw/zinc/21/41/18/735214118.db2.gz QHKVJZXTMXNNIG-UHFFFAOYSA-N -1 3 372.918 2.826 20 10 FFCDHM CC(C)CCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751373437 735867470 /nfs/dbraw/zinc/86/74/70/735867470.db2.gz SNKLKWDPBHCUCS-MRXNPFEDSA-N -1 3 374.934 2.976 20 10 FFCDHM C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756393680 736327205 /nfs/dbraw/zinc/32/72/05/736327205.db2.gz SFRNYUDLHKKVPR-LLVKDONJSA-N -1 3 370.421 2.772 20 10 FFCDHM C[C@H](NCc1nnnn1-c1ccccc1)c1ccc(Br)cc1[O-] ZINC000756491337 736336129 /nfs/dbraw/zinc/33/61/29/736336129.db2.gz UXRYRSZFSOWZQM-NSHDSACASA-N -1 3 374.242 2.981 20 10 FFCDHM COC(=O)CN(Cc1ccc(OC)c(O)c1)Cc1cc(Cl)ccc1[O-] ZINC000769380357 737522371 /nfs/dbraw/zinc/52/23/71/737522371.db2.gz HVBLEPDHTPFYGH-UHFFFAOYSA-N -1 3 365.813 2.935 20 10 FFCDHM COC(=O)CN(Cc1cccc2c1OCO2)Cc1cc(Cl)ccc1[O-] ZINC000769381726 737523170 /nfs/dbraw/zinc/52/31/70/737523170.db2.gz RRBLLAYUGVALMJ-UHFFFAOYSA-N -1 3 363.797 2.950 20 10 FFCDHM CC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769784670 737565869 /nfs/dbraw/zinc/56/58/69/737565869.db2.gz QJEKOMHIVCBSHR-GOSISDBHSA-N -1 3 362.451 2.819 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000928707843 738898306 /nfs/dbraw/zinc/89/83/06/738898306.db2.gz CVBXEKSSFRFVPQ-AWEZNQCLSA-N -1 3 362.426 2.904 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000794789633 739930666 /nfs/dbraw/zinc/93/06/66/739930666.db2.gz DKMFWODKFJVNFM-UHFFFAOYSA-N -1 3 364.760 2.855 20 10 FFCDHM C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815614012 741948273 /nfs/dbraw/zinc/94/82/73/741948273.db2.gz CZNMUUZTBKRRML-JTQLQIEISA-N -1 3 356.348 2.869 20 10 FFCDHM CCOC(=O)[C@@]1(COC)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816599778 742045659 /nfs/dbraw/zinc/04/56/59/742045659.db2.gz YGTGPPYDDMVYEX-KRWDZBQOSA-N -1 3 359.825 2.976 20 10 FFCDHM CCOC(=O)[C@]1(COC)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816599779 742045893 /nfs/dbraw/zinc/04/58/93/742045893.db2.gz YGTGPPYDDMVYEX-QGZVFWFLSA-N -1 3 359.825 2.976 20 10 FFCDHM COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000818358303 742266628 /nfs/dbraw/zinc/26/66/28/742266628.db2.gz TYLNEYSDMFZKIH-UWVGGRQHSA-N -1 3 364.423 2.834 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631655 742287123 /nfs/dbraw/zinc/28/71/23/742287123.db2.gz MGKSQKYITPCVAD-RNCFNFMXSA-N -1 3 358.232 2.848 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631655 742287125 /nfs/dbraw/zinc/28/71/25/742287125.db2.gz MGKSQKYITPCVAD-RNCFNFMXSA-N -1 3 358.232 2.848 20 10 FFCDHM CCOC(=O)[C@H](NCc1ccc(Br)cc1[O-])[C@H]1CCCOC1 ZINC000825671348 743308944 /nfs/dbraw/zinc/30/89/44/743308944.db2.gz IIPGYRNMXNEPRK-SWLSCSKDSA-N -1 3 372.259 2.603 20 10 FFCDHM CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825692819 743312044 /nfs/dbraw/zinc/31/20/44/743312044.db2.gz OFHKMEQLVUKCME-VOIUYBSRSA-N -1 3 367.902 2.876 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000835082225 745947237 /nfs/dbraw/zinc/94/72/37/745947237.db2.gz PKDHIZBSEPULDG-CQSZACIVSA-N -1 3 354.422 2.647 20 10 FFCDHM CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000841895176 747484003 /nfs/dbraw/zinc/48/40/03/747484003.db2.gz WAGSRKPTFCUEET-UHFFFAOYSA-N -1 3 370.877 2.897 20 10 FFCDHM CC(C)=CCN1C[C@@]2(CC1=O)COCCN(Cc1c([O-])cccc1F)C2 ZINC001276031751 1013297664 /nfs/dbraw/zinc/29/76/64/1013297664.db2.gz NNUSUAWQLAAFNG-FQEVSTJZSA-N -1 3 362.445 2.548 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065753333 968540352 /nfs/dbraw/zinc/54/03/52/968540352.db2.gz LITKZMWZJBHBGA-UHFFFAOYSA-N -1 3 366.421 2.690 20 10 FFCDHM COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000109179694 979638259 /nfs/dbraw/zinc/63/82/59/979638259.db2.gz WLEHILIMGWNZBL-AWEZNQCLSA-N -1 3 356.422 2.728 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1[O-] ZINC000185828251 984037576 /nfs/dbraw/zinc/03/75/76/984037576.db2.gz CXOMEDQICLMKIT-UHFFFAOYSA-N -1 3 372.444 2.970 20 10 FFCDHM CC(=O)N1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC000921666535 986139304 /nfs/dbraw/zinc/13/93/04/986139304.db2.gz GMAGJGFPRDNULT-MRXNPFEDSA-N -1 3 357.385 2.828 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000921695075 986738875 /nfs/dbraw/zinc/73/88/75/986738875.db2.gz MOLJGKHMYBHDDL-KRWDZBQOSA-N -1 3 371.412 2.522 20 10 FFCDHM O=C(NCc1ccc(CN2CCCC2=O)cc1)NCc1c([O-])cccc1F ZINC000914295333 987422479 /nfs/dbraw/zinc/42/24/79/987422479.db2.gz UDFKDCDLIVZMQE-UHFFFAOYSA-N -1 3 371.412 2.653 20 10 FFCDHM COc1cccc(N2CC[C@H](CNC(=O)NCc3c([O-])cccc3F)C2)c1 ZINC000916231832 989761512 /nfs/dbraw/zinc/76/15/12/989761512.db2.gz XLQAXUMVHAGKHY-CQSZACIVSA-N -1 3 373.428 2.866 20 10 FFCDHM CCOc1ccccc1C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179926832 991380633 /nfs/dbraw/zinc/38/06/33/991380633.db2.gz KRMVBAQHYUIWHG-UHFFFAOYSA-N -1 3 358.413 2.888 20 10 FFCDHM C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211224 994263050 /nfs/dbraw/zinc/26/30/50/994263050.db2.gz XACNJLKXROULIN-DEYYWGMASA-N -1 3 368.433 2.931 20 10 FFCDHM C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266463 994580004 /nfs/dbraw/zinc/58/00/04/994580004.db2.gz DTFVLLUORAURTN-ZDUSSCGKSA-N -1 3 358.442 2.692 20 10 FFCDHM C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000846471226 1000321194 /nfs/dbraw/zinc/32/11/94/1000321194.db2.gz SXQOJLWTXZWMNA-SMDDNHRTSA-N -1 3 357.410 2.699 20 10 FFCDHM O=C(NCC(F)F)[C@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001276191562 1016502530 /nfs/dbraw/zinc/50/25/30/1016502530.db2.gz MACJIAWXBGDXNB-LLVKDONJSA-N -1 3 360.351 2.654 20 10 FFCDHM O=C(NCc1ccccc1O)c1cc([O-])cc(I)c1 ZINC001196429044 1003774995 /nfs/dbraw/zinc/77/49/95/1003774995.db2.gz VINJFJHIKXTTQS-UHFFFAOYSA-N -1 3 369.158 2.632 20 10 FFCDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001197109642 1004087778 /nfs/dbraw/zinc/08/77/78/1004087778.db2.gz BNVNORZREHZANV-JXMROGBWSA-N -1 3 361.419 2.996 20 10 FFCDHM Cn1nc(Cl)cc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001192921618 1004328246 /nfs/dbraw/zinc/32/82/46/1004328246.db2.gz PLDBUZBNQAADQZ-UHFFFAOYSA-N -1 3 351.193 2.911 20 10 FFCDHM COC(=O)C[C@H]1COCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000808213694 1004782141 /nfs/dbraw/zinc/78/21/41/1004782141.db2.gz UBPRCGLYKKAKQE-ZDUSSCGKSA-N -1 3 359.422 2.781 20 10 FFCDHM COC(=O)C[C@@H]1COCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000808213693 1004782364 /nfs/dbraw/zinc/78/23/64/1004782364.db2.gz UBPRCGLYKKAKQE-CYBMUJFWSA-N -1 3 359.422 2.781 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000808258591 1004791808 /nfs/dbraw/zinc/79/18/08/1004791808.db2.gz QKQLHCNAFOKYAY-UHFFFAOYSA-N -1 3 352.438 2.788 20 10 FFCDHM O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1cccc(O)c1[O-] ZINC000856353936 1007782619 /nfs/dbraw/zinc/78/26/19/1007782619.db2.gz MZLHZFUUMRJNGE-INIZCTEOSA-N -1 3 357.406 2.723 20 10 FFCDHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(N(C)C)cc1 ZINC000775432528 1007884884 /nfs/dbraw/zinc/88/48/84/1007884884.db2.gz HQIRPCBUOSEEIT-NSHDSACASA-N -1 3 352.394 2.519 20 10 FFCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]O[C@H](CO)C(C)C)cc1 ZINC000861907535 1009615643 /nfs/dbraw/zinc/61/56/43/1009615643.db2.gz RRDKQIKXZLGVAW-LJQANCHMSA-N -1 3 358.438 2.514 20 10 FFCDHM CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000862613437 1009901831 /nfs/dbraw/zinc/90/18/31/1009901831.db2.gz FKTLRTDBZOGQKZ-CQSZACIVSA-N -1 3 364.442 2.815 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000862679703 1009929728 /nfs/dbraw/zinc/92/97/28/1009929728.db2.gz OIPLDWBEABDVGY-AWEZNQCLSA-N -1 3 362.426 2.760 20 10 FFCDHM O=C1COC2(CN(Cc3cc(Cl)ccc3[O-])C2)CN1CC1CCCC1 ZINC001275254142 1012152688 /nfs/dbraw/zinc/15/26/88/1012152688.db2.gz LNKRMQATSDWTHP-UHFFFAOYSA-N -1 3 364.873 2.649 20 10 FFCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(N)cc3[O-])cc2F)C[C@@H](C)O1 ZINC000827364635 1017780231 /nfs/dbraw/zinc/78/02/31/1017780231.db2.gz JIVHVKJBJZVVIV-CHWSQXEVSA-N -1 3 373.428 2.657 20 10 FFCDHM O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1c([O-])cccc1F ZINC000928707664 1019084968 /nfs/dbraw/zinc/08/49/68/1019084968.db2.gz ADGSIJHBUOXKQJ-UHFFFAOYSA-N -1 3 374.456 2.870 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(O)(Cc3ccccn3)CC2)c1[O-] ZINC000930983718 1020268360 /nfs/dbraw/zinc/26/83/60/1020268360.db2.gz ZJCLMAQPMQTVGX-UHFFFAOYSA-N -1 3 358.413 2.699 20 10 FFCDHM C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903400407 1020823087 /nfs/dbraw/zinc/82/30/87/1020823087.db2.gz UPJZZWSPKGPNMT-QWRGUYRKSA-N -1 3 368.359 2.836 20 10 FFCDHM CNC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])c2ccccc2O1 ZINC000750032589 1021249045 /nfs/dbraw/zinc/24/90/45/1021249045.db2.gz DXWVMWNYQRCFLO-KRWDZBQOSA-N -1 3 374.824 2.762 20 10 FFCDHM COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000756742801 1023752067 /nfs/dbraw/zinc/75/20/67/1023752067.db2.gz OUNZNDYOWOXNTC-SWLSCSKDSA-N -1 3 371.393 2.765 20 10 FFCDHM CCO[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001121460510 1023790350 /nfs/dbraw/zinc/79/03/50/1023790350.db2.gz KZTLWBOJGIBWOA-NSHDSACASA-N -1 3 359.455 2.803 20 10 FFCDHM O=C1c2ccc(O[C@@H]3CNCCC3(F)F)cc2C(=O)c2ccc([O-])cc21 ZINC001218452995 1033162906 /nfs/dbraw/zinc/16/29/06/1033162906.db2.gz GZQJKXGHDLFUCA-MRXNPFEDSA-N -1 3 359.328 2.544 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC001122036892 1024278821 /nfs/dbraw/zinc/27/88/21/1024278821.db2.gz VZGGAGYZCHJHKG-BBATYDOGSA-N -1 3 371.466 2.753 20 10 FFCDHM Cc1nc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2n1[C@@H](C)CO ZINC000837054154 1025536757 /nfs/dbraw/zinc/53/67/57/1025536757.db2.gz JLGINSAYHVKOOP-NSHDSACASA-N -1 3 355.394 2.870 20 10 FFCDHM CCOC(=O)c1cc(C(=O)NCc2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC001156164129 1029072893 /nfs/dbraw/zinc/07/28/93/1029072893.db2.gz NVCNIZDETXTTOE-UHFFFAOYSA-N -1 3 362.313 2.546 20 10 FFCDHM NC(=O)c1cc(Cl)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157723816 1029651959 /nfs/dbraw/zinc/65/19/59/1029651959.db2.gz DTOXCYLVXJAZKH-UHFFFAOYSA-N -1 3 364.192 2.748 20 10 FFCDHM COc1c([O-])c(CNc2cccc([C@@H]3CCC(=O)N3)c2)ccc1[N+](=O)[O-] ZINC000840971775 1029953663 /nfs/dbraw/zinc/95/36/63/1029953663.db2.gz BXZVTQXZIRVKBT-AWEZNQCLSA-N -1 3 357.366 2.872 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1CCc2ncnc(N3CCCC3)c2CC1 ZINC001142517383 1030567126 /nfs/dbraw/zinc/56/71/26/1030567126.db2.gz LHTQDDUVLCANBZ-UHFFFAOYSA-N -1 3 360.408 2.661 20 10 FFCDHM CCNC(=O)COC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586910 1030772018 /nfs/dbraw/zinc/77/20/18/1030772018.db2.gz WAGVPANUEJGBEX-UHFFFAOYSA-N -1 3 361.269 2.816 20 10 FFCDHM COC[C@H]1Cn2nccc2CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203642240 1030801090 /nfs/dbraw/zinc/80/10/90/1030801090.db2.gz GEKOESAVPPXPBC-GFCCVEGCSA-N -1 3 366.259 2.630 20 10 FFCDHM Cc1ccnc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC001203648442 1030803736 /nfs/dbraw/zinc/80/37/36/1030803736.db2.gz LPUOIBVUHKTMFF-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001276946188 1033717754 /nfs/dbraw/zinc/71/77/54/1033717754.db2.gz YUGIFLNHUSICDP-BFUOFWGJSA-N -1 3 368.424 2.520 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968050 1033866469 /nfs/dbraw/zinc/86/64/69/1033866469.db2.gz XKHPPFVJJGVXTR-XIKOKIGWSA-N -1 3 370.852 2.787 20 10 FFCDHM CC1CCC2(CC1)OC[C@H](CNC(=O)NCc1c([O-])cccc1F)O2 ZINC001225148088 1034146760 /nfs/dbraw/zinc/14/67/60/1034146760.db2.gz LQFLGAOWYTTXCI-XYEKJYRLSA-N -1 3 352.406 2.652 20 10 FFCDHM CO[C@@H](C)CO[C@H](C)COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385861 1034662603 /nfs/dbraw/zinc/66/26/03/1034662603.db2.gz VGMZXNIRIYMGKR-QWHCGFSZSA-N -1 3 370.401 2.986 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCCN2Cc1cc(F)ccc1[O-] ZINC001140062903 1035327677 /nfs/dbraw/zinc/32/76/77/1035327677.db2.gz HWFWJJVMWFICAJ-RDJZCZTQSA-N -1 3 366.433 2.742 20 10 FFCDHM [O-]c1cc(O)c(CN2CCN(c3nccnc3Cl)CC2)cc1Cl ZINC001232259996 1035531424 /nfs/dbraw/zinc/53/14/24/1035531424.db2.gz OGTIADKQUUTLJE-UHFFFAOYSA-N -1 3 355.225 2.517 20 10 FFCDHM COC[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2ncn(C)c21 ZINC001232267875 1035538153 /nfs/dbraw/zinc/53/81/53/1035538153.db2.gz KGQGQOBMONHUEF-GFCCVEGCSA-N -1 3 351.834 2.534 20 10 FFCDHM CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCCN(CC)C2)c1[O-] ZINC001227495805 1035583935 /nfs/dbraw/zinc/58/39/35/1035583935.db2.gz WZXOMTQEKCQAFH-NSHDSACASA-N -1 3 371.455 2.670 20 10 FFCDHM CC[C@H](C)N1C[C@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232678 1035682315 /nfs/dbraw/zinc/68/23/15/1035682315.db2.gz WXOGCUIWNBYXIU-IFXJQAMLSA-N -1 3 366.889 2.895 20 10 FFCDHM Cc1ncc2n1CCN(Cc1ccc(I)cc1[O-])C2 ZINC001232976119 1036205150 /nfs/dbraw/zinc/20/51/50/1036205150.db2.gz ONGVEXIVTZUTQA-UHFFFAOYSA-N -1 3 369.206 2.518 20 10 FFCDHM O=C1NC2(C[C@H]1c1ccncc1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333840 1036542287 /nfs/dbraw/zinc/54/22/87/1036542287.db2.gz JPCSDNNYOVIVIK-AWEZNQCLSA-N -1 3 373.403 2.704 20 10 FFCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)cc1 ZINC001233336515 1036544186 /nfs/dbraw/zinc/54/41/86/1036544186.db2.gz OKMLIPWSKCQINZ-CQSZACIVSA-N -1 3 362.376 2.813 20 10 FFCDHM COC[C@@H]1Cn2ccnc2CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452693 1036633904 /nfs/dbraw/zinc/63/39/04/1036633904.db2.gz HGXFEHHWUGSQQU-LBPRGKRZSA-N -1 3 355.360 2.886 20 10 FFCDHM CCOC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2nnn(C)c21 ZINC001233453415 1036633928 /nfs/dbraw/zinc/63/39/28/1036633928.db2.gz GMPFKTUQTQPGCA-LBPRGKRZSA-N -1 3 370.375 2.675 20 10 FFCDHM Cc1cc(O[C@H](C[N+](=O)[O-])C2CC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542263 1036730473 /nfs/dbraw/zinc/73/04/73/1036730473.db2.gz KTIBJGZBUBWYJW-MRXNPFEDSA-N -1 3 367.357 2.910 20 10 FFCDHM Cn1cc([C@@H](NC(=O)NCc2c([O-])cccc2F)c2ccc(F)cc2)cn1 ZINC001234599750 1037107128 /nfs/dbraw/zinc/10/71/28/1037107128.db2.gz UEFBBLKSTGNPJC-SFHVURJKSA-N -1 3 372.375 2.993 20 10 FFCDHM Cc1cc(O)c(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC001207234369 1037269605 /nfs/dbraw/zinc/26/96/05/1037269605.db2.gz KOJKTEJJLQJABY-CQSZACIVSA-N -1 3 350.768 2.997 20 10 FFCDHM COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235069992 1037339323 /nfs/dbraw/zinc/33/93/23/1037339323.db2.gz ZGTHSJAIZQEIHQ-KOLCDFICSA-N -1 3 360.223 2.925 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@](O)(CF)CC1 ZINC001235295716 1037457544 /nfs/dbraw/zinc/45/75/44/1037457544.db2.gz FEBFCMXOJOEKQS-AWEZNQCLSA-N -1 3 350.203 2.980 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231560537 1037684359 /nfs/dbraw/zinc/68/43/59/1037684359.db2.gz MWLQYLFJYAWGMM-AWEZNQCLSA-N -1 3 350.415 2.580 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)cc1Cl ZINC001231867507 1037965506 /nfs/dbraw/zinc/96/55/06/1037965506.db2.gz LQAGSOAFTBLXPE-AWEZNQCLSA-N -1 3 370.877 2.768 20 10 FFCDHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccc(Cl)c1[O-] ZINC001231911073 1038007525 /nfs/dbraw/zinc/00/75/25/1038007525.db2.gz APEQDXMINSPKJG-CABCVRRESA-N -1 3 363.870 2.991 20 10 FFCDHM CS(=O)(=O)N1CCCC[C@]12CCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231911834 1038008456 /nfs/dbraw/zinc/00/84/56/1038008456.db2.gz QVKAUCLMAULZOD-QGZVFWFLSA-N -1 3 372.918 2.826 20 10 FFCDHM CCOC[C@@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2c1cnn2C ZINC001236794507 1038275478 /nfs/dbraw/zinc/27/54/78/1038275478.db2.gz AILOPVGSJKDCJQ-LBPRGKRZSA-N -1 3 365.861 2.924 20 10 FFCDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1c([O-])cc(OC)cc1Br ZINC001237064764 1038431550 /nfs/dbraw/zinc/43/15/50/1038431550.db2.gz ISNJBJCVQSYPKA-HWPZZCPQSA-N -1 3 370.243 2.691 20 10 FFCDHM CC(C)=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001276606091 1038623357 /nfs/dbraw/zinc/62/33/57/1038623357.db2.gz VGUDBYNEISGBBM-FQEVSTJZSA-N -1 3 358.438 2.624 20 10 FFCDHM CC(C)=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001276606091 1038623364 /nfs/dbraw/zinc/62/33/64/1038623364.db2.gz VGUDBYNEISGBBM-FQEVSTJZSA-N -1 3 358.438 2.624 20 10 FFCDHM COC1(CC(=O)N2CCC23CN(Cc2c([O-])cccc2Cl)C3)CCC1 ZINC001278490689 1039869641 /nfs/dbraw/zinc/86/96/41/1039869641.db2.gz JWYXYJOPSCUKGV-UHFFFAOYSA-N -1 3 364.873 2.792 20 10 FFCDHM COc1ccc(CN2CCC(F)CC2)c([O-])c1I ZINC001248481736 1040297172 /nfs/dbraw/zinc/29/71/72/1040297172.db2.gz DISJOYILPLGITN-UHFFFAOYSA-N -1 3 365.186 2.939 20 10 FFCDHM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001278558629 1041154120 /nfs/dbraw/zinc/15/41/20/1041154120.db2.gz KQQVHYVWGRRYOX-IYBDPMFKSA-N -1 3 358.829 2.931 20 10 FFCDHM Cc1cc([O-])c(CN2CC3(C2)CN(C(=O)CCc2ccc[nH]2)C3)cc1Cl ZINC001279432144 1043106361 /nfs/dbraw/zinc/10/63/61/1043106361.db2.gz BAGDGYJLWBYTRO-UHFFFAOYSA-N -1 3 373.884 2.959 20 10 FFCDHM Cc1cc([O-])c(CN2C[C@@H]3CN(Cc4ccc[nH]4)C[C@H](C2)O3)cc1Cl ZINC001279432712 1043106480 /nfs/dbraw/zinc/10/64/80/1043106480.db2.gz IGIASPONGLSOJK-CALCHBBNSA-N -1 3 361.873 2.767 20 10 FFCDHM COc1c(NC(=O)NCc2c([O-])cccc2F)cc(Cl)cc1C(N)=O ZINC001310716997 1043728737 /nfs/dbraw/zinc/72/87/37/1043728737.db2.gz XVHHMDGXQUVXTG-UHFFFAOYSA-N -1 3 367.764 2.614 20 10 FFCDHM O=C(Nc1cn[nH]c1)c1noc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001279981813 1044028730 /nfs/dbraw/zinc/02/87/30/1044028730.db2.gz HRTOKWVHSMFGCJ-UHFFFAOYSA-N -1 3 373.800 2.567 20 10 FFCDHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)c(O)c1 ZINC001475235782 1046743502 /nfs/dbraw/zinc/74/35/02/1046743502.db2.gz QKSXIQYKMGNCJQ-UHFFFAOYSA-N -1 3 363.222 2.581 20 10 FFCDHM CN(C[C@@H]1CCCCO1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340095500 1050499390 /nfs/dbraw/zinc/49/93/90/1050499390.db2.gz LLIYZNSOEPUPHL-NSHDSACASA-N -1 3 359.455 2.803 20 10 FFCDHM COC(=O)CN(Cc1csnc1OC)Cc1cc(Cl)ccc1[O-] ZINC001307540499 1052318367 /nfs/dbraw/zinc/31/83/67/1052318367.db2.gz VRQFQEVLFPCUJY-UHFFFAOYSA-N -1 3 356.831 2.686 20 10 FFCDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC001350309940 1055717075 /nfs/dbraw/zinc/71/70/75/1055717075.db2.gz OJRKBBWQUUHSMP-GFCCVEGCSA-N -1 3 350.325 2.660 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001353726488 1056674078 /nfs/dbraw/zinc/67/40/78/1056674078.db2.gz BUZQMNIIJVQXQF-PHIMTYICSA-N -1 3 357.439 2.648 20 10 FFCDHM O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1c([O-])cccc1F ZINC001456086933 1060010336 /nfs/dbraw/zinc/01/03/36/1060010336.db2.gz HSJPMFIJGUTTIE-UHFFFAOYSA-N -1 3 355.369 2.819 20 10 FFCDHM O=C(CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)N1CCCC1 ZINC001442194232 1063508153 /nfs/dbraw/zinc/50/81/53/1063508153.db2.gz QJSZXONMCADHLO-UHFFFAOYSA-N -1 3 354.406 2.905 20 10 FFCDHM O=C(NCc1nccn1CCc1ccccc1)NCc1c([O-])cccc1F ZINC001469246291 1064116604 /nfs/dbraw/zinc/11/66/04/1064116604.db2.gz AIEJKQNBIIPVCO-UHFFFAOYSA-N -1 3 368.412 2.970 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@]12CCC(=O)N1c1ccccc1S2 ZINC001471975419 1064876493 /nfs/dbraw/zinc/87/64/93/1064876493.db2.gz ZHNQKYDFTFOHPW-GOSISDBHSA-N -1 3 358.394 2.777 20 10 FFCDHM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC001566941126 1076989464 /nfs/dbraw/zinc/98/94/64/1076989464.db2.gz AQUPSIZQAJCROR-NEPJUHHUSA-N -1 3 350.415 2.568 20 10 FFCDHM CCOc1nnc(NC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)[n-]1 ZINC001587743923 1079854093 /nfs/dbraw/zinc/85/40/93/1079854093.db2.gz GYXPHIUSKBKOKH-UHFFFAOYSA-N -1 3 369.425 2.684 20 10 FFCDHM CCOc1nc(NC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)n[n-]1 ZINC001587743923 1079854098 /nfs/dbraw/zinc/85/40/98/1079854098.db2.gz GYXPHIUSKBKOKH-UHFFFAOYSA-N -1 3 369.425 2.684 20 10 FFCDHM CCOc1n[n-]c(NC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)n1 ZINC001587743923 1079854104 /nfs/dbraw/zinc/85/41/04/1079854104.db2.gz GYXPHIUSKBKOKH-UHFFFAOYSA-N -1 3 369.425 2.684 20 10 FFCDHM C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589972484 1080913181 /nfs/dbraw/zinc/91/31/81/1080913181.db2.gz GORYQBKDPXRXPV-SECBINFHSA-N -1 3 364.331 2.837 20 10 FFCDHM COc1c([O-])c(CNc2cccc(-c3nncn3C)c2)ccc1[N+](=O)[O-] ZINC000373030196 512139751 /nfs/dbraw/zinc/13/97/51/512139751.db2.gz RYELEJLZCRPLNP-UHFFFAOYSA-N -1 3 355.354 2.717 20 10 FFCDHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094153456 508171313 /nfs/dbraw/zinc/17/13/13/508171313.db2.gz VJMBCNDXABPYOD-JMSVASOKSA-N -1 3 352.456 2.557 20 10 FFCDHM CC(=O)Nc1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cs1 ZINC000096971054 508216613 /nfs/dbraw/zinc/21/66/13/508216613.db2.gz YVUWYNXWOQMJNU-MRXNPFEDSA-N -1 3 361.467 2.988 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCOCC1 ZINC000158108651 508658620 /nfs/dbraw/zinc/65/86/20/508658620.db2.gz ULXBUADCOYKGBL-INIZCTEOSA-N -1 3 352.862 2.553 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1ccncn1 ZINC000191846079 509209530 /nfs/dbraw/zinc/20/95/30/509209530.db2.gz IBJGKBSGIBTQDQ-UHFFFAOYSA-N -1 3 364.243 2.926 20 10 FFCDHM C[C@H](c1ccccc1)N(CC(=O)N1CCNC1=O)Cc1ccccc1[O-] ZINC000176680447 509638698 /nfs/dbraw/zinc/63/86/98/509638698.db2.gz LUGKJVUTHINYOK-OAHLLOKOSA-N -1 3 353.422 2.507 20 10 FFCDHM O=C(NC1CCN(Cc2cc(Br)ccc2[O-])CC1)C1CC1 ZINC000179909729 509669230 /nfs/dbraw/zinc/66/92/30/509669230.db2.gz FTBUBSFBVXBTJD-UHFFFAOYSA-N -1 3 353.260 2.645 20 10 FFCDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Br)cc(C)c1[O-] ZINC000180255063 509836524 /nfs/dbraw/zinc/83/65/24/509836524.db2.gz YXQOCNSCSDQEEU-LLVKDONJSA-N -1 3 364.305 2.718 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cccs3)CC2)c1[O-] ZINC000177246800 509957679 /nfs/dbraw/zinc/95/76/79/509957679.db2.gz JPGVULKVIAXYEM-UHFFFAOYSA-N -1 3 362.426 2.753 20 10 FFCDHM Cc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1O ZINC000177665257 510189410 /nfs/dbraw/zinc/18/94/10/510189410.db2.gz IUHXQBAGUKOQGM-UHFFFAOYSA-N -1 3 358.413 2.893 20 10 FFCDHM COc1cc(Cl)cc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c1[O-] ZINC000184688516 510464077 /nfs/dbraw/zinc/46/40/77/510464077.db2.gz HWALTJHRYYLTAR-UHFFFAOYSA-N -1 3 365.861 2.977 20 10 FFCDHM COc1cc(Cl)cc(CN2CCCN(c3nc(C)ns3)CC2)c1[O-] ZINC000184699650 510471847 /nfs/dbraw/zinc/47/18/47/510471847.db2.gz BMCICEYGWLCTIA-UHFFFAOYSA-N -1 3 368.890 2.926 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(OC)CCOCC1 ZINC000285444928 510909107 /nfs/dbraw/zinc/90/91/07/510909107.db2.gz YUHOUUUJJNVPJB-UHFFFAOYSA-N -1 3 372.259 2.699 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCCc2c[nH]nc21 ZINC000277246680 510956943 /nfs/dbraw/zinc/95/69/43/510956943.db2.gz HQZOHDJLVMDFSU-CYBMUJFWSA-N -1 3 360.801 2.611 20 10 FFCDHM COCCCn1nccc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000282875330 511144267 /nfs/dbraw/zinc/14/42/67/511144267.db2.gz WEKFNPCIKCFWCU-IBGZPJMESA-N -1 3 359.470 2.806 20 10 FFCDHM Cc1ccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c([O-])c1O ZINC000292015978 511432446 /nfs/dbraw/zinc/43/24/46/511432446.db2.gz NVQSAUSIYUQRPR-CABZTGNLSA-N -1 3 367.448 2.505 20 10 FFCDHM CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272224815 511470802 /nfs/dbraw/zinc/47/08/02/511470802.db2.gz CSIJFPQVMRSTDA-UHFFFAOYSA-N -1 3 367.442 2.836 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)c([O-])c1O ZINC000272777653 511506369 /nfs/dbraw/zinc/50/63/69/511506369.db2.gz UHHPBVWVBLJHTF-LLVKDONJSA-N -1 3 374.466 2.641 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CCO)c2ccc(OC)cc2)c1 ZINC000273353013 511523744 /nfs/dbraw/zinc/52/37/44/511523744.db2.gz CCNWSWFOKDTEON-UGSOOPFHSA-N -1 3 359.422 2.962 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000365759719 511640216 /nfs/dbraw/zinc/64/02/16/511640216.db2.gz VPXJRIZHNDYBBB-LLVKDONJSA-N -1 3 368.311 2.805 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@@H]21 ZINC000293680597 512049045 /nfs/dbraw/zinc/04/90/45/512049045.db2.gz LJJAVFRCYUYNOV-JSGCOSHPSA-N -1 3 362.426 2.569 20 10 FFCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000371846343 512600960 /nfs/dbraw/zinc/60/09/60/512600960.db2.gz NRCQOFPZEDXZTE-AWEZNQCLSA-N -1 3 351.834 2.968 20 10 FFCDHM COC[C@]1(NCc2cc(F)cc(C(C)=O)c2[O-])COc2ccccc2C1 ZINC000528746750 516667016 /nfs/dbraw/zinc/66/70/16/516667016.db2.gz KFURKRGFOMOJRW-FQEVSTJZSA-N -1 3 359.397 2.844 20 10 FFCDHM CC[C@H](C)[C@H](NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880440 600219172 /nfs/dbraw/zinc/21/91/72/600219172.db2.gz WXVVRBXMRMWAIU-LIRRHRJNSA-N -1 3 362.470 2.752 20 10 FFCDHM CC[C@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880440 600219173 /nfs/dbraw/zinc/21/91/73/600219173.db2.gz WXVVRBXMRMWAIU-LIRRHRJNSA-N -1 3 362.470 2.752 20 10 FFCDHM Cc1cc(C(=O)NOCC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260271 607563099 /nfs/dbraw/zinc/56/30/99/607563099.db2.gz FJSKRRKLQQFISY-UHFFFAOYSA-N -1 3 354.414 2.592 20 10 FFCDHM Cc1cc(C(=O)NC2(C)CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258148 607862231 /nfs/dbraw/zinc/86/22/31/607862231.db2.gz BJMLYMHWNUWQJP-UHFFFAOYSA-N -1 3 350.426 2.947 20 10 FFCDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000158009906 728880949 /nfs/dbraw/zinc/88/09/49/728880949.db2.gz RAAUVFMHUWHCMQ-UHFFFAOYSA-N -1 3 354.472 2.710 20 10 FFCDHM COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1c([O-])ccc(Cl)c1F ZINC000897987786 735300765 /nfs/dbraw/zinc/30/07/65/735300765.db2.gz UJKQONOYJYCNSA-NSHDSACASA-N -1 3 353.781 2.793 20 10 FFCDHM CN(Cc1ccc(Cl)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055106255 728094689 /nfs/dbraw/zinc/09/46/89/728094689.db2.gz KRKUNPOPNAGAJF-UHFFFAOYSA-N -1 3 368.842 2.689 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000105590977 728506821 /nfs/dbraw/zinc/50/68/21/728506821.db2.gz DEQSORWICJKRSN-UHFFFAOYSA-N -1 3 372.443 2.697 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000177283393 729133404 /nfs/dbraw/zinc/13/34/04/729133404.db2.gz DKTGYXICBWCNQG-QGZVFWFLSA-N -1 3 366.889 2.935 20 10 FFCDHM C[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS(=O)(=O)C1 ZINC000191369556 729416253 /nfs/dbraw/zinc/41/62/53/729416253.db2.gz CFFMWLLIVCZKBJ-ZDUSSCGKSA-N -1 3 363.479 2.884 20 10 FFCDHM C[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863024326 730743396 /nfs/dbraw/zinc/74/33/96/730743396.db2.gz NGXCTCARLHFLBV-NWDGAFQWSA-N -1 3 350.415 2.616 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863739254 730805589 /nfs/dbraw/zinc/80/55/89/730805589.db2.gz JOVGWXHJFXXDGS-BXKDBHETSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863739254 730805591 /nfs/dbraw/zinc/80/55/91/730805591.db2.gz JOVGWXHJFXXDGS-BXKDBHETSA-N -1 3 358.232 2.706 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCC3)CC2)c1 ZINC000871223507 731608714 /nfs/dbraw/zinc/60/87/14/731608714.db2.gz XDCHNFMRWVQFNJ-AWEZNQCLSA-N -1 3 366.483 2.806 20 10 FFCDHM O=C1N[C@H](c2cc(Br)ccc2[O-])N2CCc3ccccc3[C@H]12 ZINC000877856096 732445260 /nfs/dbraw/zinc/44/52/60/732445260.db2.gz OFUFIOZLKSMKQZ-CVEARBPZSA-N -1 3 359.223 2.883 20 10 FFCDHM COCCOC[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894070156 734795929 /nfs/dbraw/zinc/79/59/29/734795929.db2.gz OXXUJSYCOQNUMC-NSHDSACASA-N -1 3 362.239 2.779 20 10 FFCDHM CC1(C)CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000760863099 736675794 /nfs/dbraw/zinc/67/57/94/736675794.db2.gz PDLRRXLQOBEGRW-UHFFFAOYSA-N -1 3 354.472 2.710 20 10 FFCDHM COCCN(CC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000769232744 737508833 /nfs/dbraw/zinc/50/88/33/737508833.db2.gz NOPQYMLXHYZIPP-UHFFFAOYSA-N -1 3 374.275 2.945 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1c(O)cccc1OC ZINC000769382537 737523094 /nfs/dbraw/zinc/52/30/94/737523094.db2.gz XVEKFHCZOVXKBG-UHFFFAOYSA-N -1 3 365.813 2.935 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000769524660 737539204 /nfs/dbraw/zinc/53/92/04/737539204.db2.gz GRQLRCYQJIDMRT-CQSZACIVSA-N -1 3 356.260 2.925 20 10 FFCDHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775878338 738134968 /nfs/dbraw/zinc/13/49/68/738134968.db2.gz AQXDNHZROVYOTA-HUUCEWRRSA-N -1 3 369.845 2.791 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000776017626 738152599 /nfs/dbraw/zinc/15/25/99/738152599.db2.gz QHEBNPGAWHHGMU-GFCCVEGCSA-N -1 3 356.850 2.771 20 10 FFCDHM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000776661798 738219841 /nfs/dbraw/zinc/21/98/41/738219841.db2.gz UIKKQVOMBNWAPW-UHFFFAOYSA-N -1 3 350.415 2.664 20 10 FFCDHM CCS(=O)(=O)c1ccc(CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928705205 738897731 /nfs/dbraw/zinc/89/77/31/738897731.db2.gz HGHWRXZXMVVHRT-UHFFFAOYSA-N -1 3 365.426 2.574 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928709282 738898372 /nfs/dbraw/zinc/89/83/72/738898372.db2.gz CLTVFVFVNAOBJT-LBPRGKRZSA-N -1 3 350.390 2.761 20 10 FFCDHM CCOC(=O)[C@H](NCc1cc(Br)ccc1[O-])C1CCOCC1 ZINC000789579178 739369959 /nfs/dbraw/zinc/36/99/59/739369959.db2.gz FHDXDXLCLFVGDL-OAHLLOKOSA-N -1 3 372.259 2.603 20 10 FFCDHM CCOC(=O)[C@H](NCc1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000789582842 739370250 /nfs/dbraw/zinc/37/02/50/739370250.db2.gz ZWGTYJYCTBPWTH-IAQYHMDHSA-N -1 3 372.259 2.603 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2ccnc(C(=O)N(C)C)c2)c1 ZINC000795805199 740065830 /nfs/dbraw/zinc/06/58/30/740065830.db2.gz XTWIXAUELZWXTC-UHFFFAOYSA-N -1 3 364.243 2.594 20 10 FFCDHM COC(=O)CN(Cc1nn(C)c(C)c1Cl)Cc1cc(Cl)ccc1[O-] ZINC000817405628 742138419 /nfs/dbraw/zinc/13/84/19/742138419.db2.gz CMXKSYYQTUCZQI-UHFFFAOYSA-N -1 3 372.252 2.916 20 10 FFCDHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000822586500 742755126 /nfs/dbraw/zinc/75/51/26/742755126.db2.gz QPJMRRRRRPPLQD-UHFFFAOYSA-N -1 3 360.454 2.943 20 10 FFCDHM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000825634571 743304234 /nfs/dbraw/zinc/30/42/34/743304234.db2.gz OSJMPTRANAVIAQ-KGLIPLIRSA-N -1 3 354.244 2.725 20 10 FFCDHM CSc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])N(C)C)cc1 ZINC000832932899 745766432 /nfs/dbraw/zinc/76/64/32/745766432.db2.gz CKHNRAAOEFXDDG-CQSZACIVSA-N -1 3 364.442 2.992 20 10 FFCDHM Cc1ncc2n1C[C@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000846016533 748383332 /nfs/dbraw/zinc/38/33/32/748383332.db2.gz VLQCZXNNLIMJNP-GFCCVEGCSA-N -1 3 364.243 2.538 20 10 FFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000045909485 845099926 /nfs/dbraw/zinc/09/99/26/845099926.db2.gz DQPZEWKHTLMSLG-UHFFFAOYSA-N -1 3 372.443 2.778 20 10 FFCDHM O=c1[nH]c2cccc(N3CCN(Cc4cc(F)cc(F)c4[O-])CC3)c2[nH]1 ZINC000896746506 971688835 /nfs/dbraw/zinc/68/88/35/971688835.db2.gz ZKDBYMRFOWVQMA-UHFFFAOYSA-N -1 3 360.364 2.575 20 10 FFCDHM Cc1cc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001174914400 1013339660 /nfs/dbraw/zinc/33/96/60/1013339660.db2.gz AAYWVVKEQDIGDK-DOMZBBRYSA-N -1 3 357.420 2.950 20 10 FFCDHM COC(C)(C)CN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cccc1F ZINC001276038384 1013350369 /nfs/dbraw/zinc/35/03/69/1013350369.db2.gz VECUVUFHZHTQAH-HXUWFJFHSA-N -1 3 364.461 2.913 20 10 FFCDHM CC1(C)CCC[C@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001167622442 967007798 /nfs/dbraw/zinc/00/77/98/967007798.db2.gz JIZGIGRRJAVCCZ-LBPRGKRZSA-N -1 3 354.472 2.710 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1[O-] ZINC001176753506 1013773887 /nfs/dbraw/zinc/77/38/87/1013773887.db2.gz LQVWUZIQOHJNKI-JKSUJKDBSA-N -1 3 364.417 2.928 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3cccc(CC(=O)[O-])c3)c2)CC1 ZINC000911553333 982495665 /nfs/dbraw/zinc/49/56/65/982495665.db2.gz VIVQLYOXWCXNQS-UHFFFAOYSA-N -1 3 367.449 2.708 20 10 FFCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000057558825 984504322 /nfs/dbraw/zinc/50/43/22/984504322.db2.gz LVPZYOKCPINIGR-UHFFFAOYSA-N -1 3 353.422 2.663 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c([N+](=O)[O-])s1 ZINC001212415679 986382518 /nfs/dbraw/zinc/38/25/18/986382518.db2.gz LCKIBIYPHDVGNB-UHFFFAOYSA-N -1 3 362.816 2.802 20 10 FFCDHM CC(C)(C)c1cc(C(=O)[N-]c2c3nonc3ccc2Cl)nc2ncnn21 ZINC001128704709 989681380 /nfs/dbraw/zinc/68/13/80/989681380.db2.gz VFCZQBPIZMFCBV-UHFFFAOYSA-N -1 3 371.788 2.864 20 10 FFCDHM NC(=O)C1CCN(c2cccc(NC(=O)c3cc([O-])ccc3Cl)c2)CC1 ZINC000810428141 994781160 /nfs/dbraw/zinc/78/11/60/994781160.db2.gz RYETZDSVZZKXCB-UHFFFAOYSA-N -1 3 373.840 3.000 20 10 FFCDHM COC1CCN(c2ccc(CN[C@@H](C(=O)[O-])c3cccc(O)c3)cc2)CC1 ZINC001599127298 997874575 /nfs/dbraw/zinc/87/45/75/997874575.db2.gz RYFDKHCSDLCHAB-HXUWFJFHSA-N -1 3 370.449 2.923 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001144299939 998287504 /nfs/dbraw/zinc/28/75/04/998287504.db2.gz MWHGWBXNWVKKIJ-ZDUSSCGKSA-N -1 3 373.266 2.590 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CC2CCC1CC2 ZINC001144575829 998662372 /nfs/dbraw/zinc/66/23/72/998662372.db2.gz TVQHOGZSQUIKRJ-CLTVBZQCSA-N -1 3 366.483 2.708 20 10 FFCDHM O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000846473925 1000324174 /nfs/dbraw/zinc/32/41/74/1000324174.db2.gz OKWUYUQMMBMFJE-OAHLLOKOSA-N -1 3 374.824 2.672 20 10 FFCDHM COC(=O)c1c(NC(=O)c2cccc(O)c2[O-])ccc2c1OC[C@H]1C[C@@H]21 ZINC001148218534 1001070412 /nfs/dbraw/zinc/07/04/12/1001070412.db2.gz DOCVMCUXOJOMAG-BXKDBHETSA-N -1 3 355.346 2.633 20 10 FFCDHM CCOc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cnc1Br ZINC001148582120 1001174131 /nfs/dbraw/zinc/17/41/31/1001174131.db2.gz XQQOUVPYZMRXAP-UHFFFAOYSA-N -1 3 369.171 2.612 20 10 FFCDHM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581108 1001174496 /nfs/dbraw/zinc/17/44/96/1001174496.db2.gz LINUICBPYZHYAV-UHFFFAOYSA-N -1 3 370.386 2.883 20 10 FFCDHM O=C(Nc1c[nH]c2nccc(Br)c12)c1cc(O)c([O-])c(O)c1 ZINC001148583103 1001174548 /nfs/dbraw/zinc/17/45/48/1001174548.db2.gz SZESOYHWQRXUHE-UHFFFAOYSA-N -1 3 364.155 2.695 20 10 FFCDHM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148590147 1001176328 /nfs/dbraw/zinc/17/63/28/1001176328.db2.gz XRYVQEUSBCMJPQ-LBPRGKRZSA-N -1 3 358.177 2.574 20 10 FFCDHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001182616514 1001984149 /nfs/dbraw/zinc/98/41/49/1001984149.db2.gz RDOIKXOBTRVCEP-UFBFGSQYSA-N -1 3 352.303 2.702 20 10 FFCDHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001182616514 1001984204 /nfs/dbraw/zinc/98/42/04/1001984204.db2.gz RDOIKXOBTRVCEP-UFBFGSQYSA-N -1 3 352.303 2.702 20 10 FFCDHM O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1cccc(O)c1[O-] ZINC000790499205 1002394285 /nfs/dbraw/zinc/39/42/85/1002394285.db2.gz HRXOSGFCVJIAHN-UHFFFAOYSA-N -1 3 365.389 2.735 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cccc(O)c2[O-])C1 ZINC000790927423 1002513509 /nfs/dbraw/zinc/51/35/09/1002513509.db2.gz GAIXNGBRFGGZEJ-IBGZPJMESA-N -1 3 364.442 2.865 20 10 FFCDHM COC(=O)c1ccc([C@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)cc1 ZINC000790940446 1002533645 /nfs/dbraw/zinc/53/36/45/1002533645.db2.gz KUCGLEIDRWWLRH-AWEZNQCLSA-N -1 3 369.295 2.918 20 10 FFCDHM O=S(=O)(Cc1ccccn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001197846749 1004378543 /nfs/dbraw/zinc/37/85/43/1004378543.db2.gz CRJCXZVHFKXOBV-UHFFFAOYSA-N -1 3 363.826 2.608 20 10 FFCDHM CN(C)c1ccc(-c2nc(C(=O)NCc3ncccc3[O-])cs2)cc1 ZINC001193175460 1004385332 /nfs/dbraw/zinc/38/53/32/1004385332.db2.gz GQVGCGFFONRXFD-UHFFFAOYSA-N -1 3 354.435 2.907 20 10 FFCDHM C[C@H](C(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1)n1cccn1 ZINC000776329715 1005367250 /nfs/dbraw/zinc/36/72/50/1005367250.db2.gz DQUYHSVIJAFNGV-GFCCVEGCSA-N -1 3 366.377 2.746 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000816921818 1007258301 /nfs/dbraw/zinc/25/83/01/1007258301.db2.gz HSEDJUBEWPWCJB-UHFFFAOYSA-N -1 3 358.417 2.975 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCCC3)CC2)c1 ZINC000855363616 1007304730 /nfs/dbraw/zinc/30/47/30/1007304730.db2.gz CVAWZACOTJSRBB-UHFFFAOYSA-N -1 3 366.483 2.950 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](c2ccccc2)C2CC2)c1 ZINC000817089725 1007422618 /nfs/dbraw/zinc/42/26/18/1007422618.db2.gz ORADYXWJEHWPRT-QGZVFWFLSA-N -1 3 374.462 2.687 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3CC2(c2ccccc2)C3)c1 ZINC000856440577 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1037978774 /nfs/dbraw/zinc/97/87/74/1037978774.db2.gz OAIKLDQTQDKMIA-UHFFFAOYSA-N -1 3 351.406 2.971 20 10 FFCDHM O=c1c2ccccc2nnn1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231914472 1038011450 /nfs/dbraw/zinc/01/14/50/1038011450.db2.gz MAVCQGRELWSBLO-UHFFFAOYSA-N -1 3 370.840 2.988 20 10 FFCDHM COc1cc([O-])c(CN2CCN(C(=O)Cc3ccccc3)CC2)c(Cl)c1 ZINC001236808315 1038281413 /nfs/dbraw/zinc/28/14/13/1038281413.db2.gz NKGCZCLVPIMXIO-UHFFFAOYSA-N -1 3 374.868 2.941 20 10 FFCDHM COc1cc([O-])c(CN(C)[C@@H]2CCCN(C(C)=O)C2)c(Br)c1 ZINC001237067345 1038432844 /nfs/dbraw/zinc/43/28/44/1038432844.db2.gz IHKQTGFJAMDXBF-GFCCVEGCSA-N -1 3 371.275 2.606 20 10 FFCDHM COc1ccc(N2CCN(Cc3sc(=O)[n-]c3Cl)CC2)c(OC)c1 ZINC001237154274 1038457033 /nfs/dbraw/zinc/45/70/33/1038457033.db2.gz JLJYBEHTRWQLEY-UHFFFAOYSA-N -1 3 369.874 2.842 20 10 FFCDHM O=C(CCc1ccc[nH]1)N1CC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001278490682 1039863607 /nfs/dbraw/zinc/86/36/07/1039863607.db2.gz JTGLDAFBTLIMJC-UHFFFAOYSA-N -1 3 359.857 2.651 20 10 FFCDHM O=C(Nc1cccnc1)N1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001278558944 1041156278 /nfs/dbraw/zinc/15/62/78/1041156278.db2.gz OIAHHZANPKFMMX-UHFFFAOYSA-N -1 3 358.829 2.790 20 10 FFCDHM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c([O-])ccc(F)c2F)[nH]1 ZINC001279490048 1043176624 /nfs/dbraw/zinc/17/66/24/1043176624.db2.gz OGNOZQJZQSMIBO-OKILXGFUSA-N -1 3 361.392 2.620 20 10 FFCDHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279490514 1043176751 /nfs/dbraw/zinc/17/67/51/1043176751.db2.gz RAQCKAJXRFZOPO-UHFFFAOYSA-N -1 3 353.413 2.686 20 10 FFCDHM NCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC001237677173 1043305178 /nfs/dbraw/zinc/30/51/78/1043305178.db2.gz VSNDMNORGBCBDK-UHFFFAOYSA-N -1 3 373.261 2.925 20 10 FFCDHM COc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c([O-])c1Cl ZINC001279665883 1043429134 /nfs/dbraw/zinc/42/91/34/1043429134.db2.gz RYGBTSIHTIGFNH-WBVHZDCISA-N -1 3 366.889 2.882 20 10 FFCDHM O=c1cccc(CN2CC3(C2)CN(Cc2c([O-])ccc(F)c2Cl)C3)[nH]1 ZINC001279684712 1043465685 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20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOC(C)(C)C1 ZINC001340987669 1051322874 /nfs/dbraw/zinc/32/28/74/1051322874.db2.gz VKJQEUCHKRBHRD-UHFFFAOYSA-N -1 3 359.455 2.896 20 10 FFCDHM [O-]c1c2cccnc2sc1-c1nnc(N2CCCOCC2)n1CC1CC1 ZINC001350613884 1055864509 /nfs/dbraw/zinc/86/45/09/1055864509.db2.gz GLJKSGARZVZQAA-UHFFFAOYSA-N -1 3 371.466 2.897 20 10 FFCDHM CO[C@@H]1CC[C@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001355800698 1060601477 /nfs/dbraw/zinc/60/14/77/1060601477.db2.gz GWRFPZOXIBGCOH-WDEREUQCSA-N -1 3 359.455 2.801 20 10 FFCDHM C[C@H]1COC(C)(C)CN1c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001355801090 1060601585 /nfs/dbraw/zinc/60/15/85/1060601585.db2.gz LPNPJSIQWIVMSD-JTQLQIEISA-N -1 3 359.455 2.801 20 10 FFCDHM CO[C@]1(C)CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001355801993 1060603936 /nfs/dbraw/zinc/60/39/36/1060603936.db2.gz VRDXOOJYRKIBBQ-QGZVFWFLSA-N -1 3 359.455 2.803 20 10 FFCDHM Cc1nn(CCO)c(NCc2cc(C)cc(Br)c2[O-])c1C ZINC001461373509 1061301862 /nfs/dbraw/zinc/30/18/62/1061301862.db2.gz OFGUGZKNOGSSID-UHFFFAOYSA-N -1 3 354.248 2.881 20 10 FFCDHM COC(=O)c1coc(CNCc2cc(Br)cc(F)c2[O-])c1 ZINC001474652334 1065570053 /nfs/dbraw/zinc/57/00/53/1065570053.db2.gz KSLQXUGOIFAWJW-UHFFFAOYSA-N -1 3 358.163 2.963 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1[O-] ZINC001560062456 1076219941 /nfs/dbraw/zinc/21/99/41/1076219941.db2.gz MTAPUIPXNLFHGO-QZTJIDSGSA-N -1 3 361.825 2.872 20 10 FFCDHM CCOc1cccnc1N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC001560144624 1076234912 /nfs/dbraw/zinc/23/49/12/1076234912.db2.gz IEWYWHIGRLSGJP-UHFFFAOYSA-N -1 3 373.428 2.850 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2occc2Br)cc1 ZINC001561085782 1076330393 /nfs/dbraw/zinc/33/03/93/1076330393.db2.gz JBZLALXOQZQWMU-UHFFFAOYSA-N -1 3 359.245 2.587 20 10 FFCDHM C[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001589870179 1080819034 /nfs/dbraw/zinc/81/90/34/1080819034.db2.gz PCQQHVAZKSPARW-NWDGAFQWSA-N -1 3 368.397 2.935 20 10 FFCDHM C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964347 1080908117 /nfs/dbraw/zinc/90/81/17/1080908117.db2.gz QTXLTIPUJVOJPF-STQMWFEESA-N -1 3 351.410 2.789 20 10 FFCDHM C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589969769 1080911977 /nfs/dbraw/zinc/91/19/77/1080911977.db2.gz MXQZGGBGKNEDIV-VIFPVBQESA-N -1 3 364.331 2.837 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)c3cc(OC)ccc3[O-])CC2)cc1 ZINC000079181494 507940998 /nfs/dbraw/zinc/94/09/98/507940998.db2.gz MGETWMSNHRLHHH-UHFFFAOYSA-N -1 3 356.422 2.762 20 10 FFCDHM CCCC(=O)NC[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079410312 507959972 /nfs/dbraw/zinc/95/99/72/507959972.db2.gz UUIUPHVELLHKSC-CQSZACIVSA-N -1 3 350.434 2.862 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1c1ccccc1 ZINC000091984399 508029602 /nfs/dbraw/zinc/02/96/02/508029602.db2.gz FQLHLUFLFDFRFT-SJKOYZFVSA-N -1 3 360.435 2.597 20 10 FFCDHM C[C@H](CS(C)(=O)=O)N(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000093391659 508143690 /nfs/dbraw/zinc/14/36/90/508143690.db2.gz VBOIPVYTJUXDCF-SNVBAGLBSA-N -1 3 362.289 2.552 20 10 FFCDHM CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000093613526 508150069 /nfs/dbraw/zinc/15/00/69/508150069.db2.gz JKLCTEXIXVYFGY-GJZGRUSLSA-N -1 3 370.833 2.706 20 10 FFCDHM Nc1nccc([C@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000377704108 512410008 /nfs/dbraw/zinc/41/00/08/512410008.db2.gz VWUVPHLJPRUXES-JTQLQIEISA-N -1 3 363.805 2.536 20 10 FFCDHM Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000120057484 508918762 /nfs/dbraw/zinc/91/87/62/508918762.db2.gz NSXHKDQCGXKWHE-ZDUSSCGKSA-N -1 3 364.423 2.561 20 10 FFCDHM Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c([O-])c1O ZINC000267560963 509542007 /nfs/dbraw/zinc/54/20/07/509542007.db2.gz GJGKDCVDWGISHV-HNNXBMFYSA-N -1 3 357.406 2.933 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)c3ccccc3C2)c1[O-] ZINC000186567276 509775015 /nfs/dbraw/zinc/77/50/15/509775015.db2.gz VQGQMEBINORDHQ-UHFFFAOYSA-N -1 3 363.410 2.523 20 10 FFCDHM COc1ccc([O-])c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000265432371 510050904 /nfs/dbraw/zinc/05/09/04/510050904.db2.gz SABCGYSVRRKYJR-MRXNPFEDSA-N -1 3 357.406 2.928 20 10 FFCDHM CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C)c3[O-])c2)CC1 ZINC000187125948 510074194 /nfs/dbraw/zinc/07/41/94/510074194.db2.gz WSGJQHVONPJDRJ-UHFFFAOYSA-N -1 3 353.422 2.621 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c([O-])c1O ZINC000177669317 510191027 /nfs/dbraw/zinc/19/10/27/510191027.db2.gz ZBGOYAPNNWLUBR-UHFFFAOYSA-N -1 3 354.406 2.897 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ccn(C)n1 ZINC000175830544 510813582 /nfs/dbraw/zinc/81/35/82/510813582.db2.gz ZXZOSFCNJPGIEN-UHFFFAOYSA-N -1 3 353.220 2.942 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCO[C@H](C2CC2)C1 ZINC000277321538 510960358 /nfs/dbraw/zinc/96/03/58/510960358.db2.gz UGEKCAUMVPHHKX-ZBFHGGJFSA-N -1 3 364.829 2.767 20 10 FFCDHM COc1c([O-])c(CNc2cccc(C[S@@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278936500 511015056 /nfs/dbraw/zinc/01/50/56/511015056.db2.gz WXZHRSVMHZPQDN-XMMPIXPASA-N -1 3 350.396 2.800 20 10 FFCDHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000365143512 511282898 /nfs/dbraw/zinc/28/28/98/511282898.db2.gz ZHWVLINGHRQUHE-GFCCVEGCSA-N -1 3 362.407 2.708 20 10 FFCDHM Cc1cc(C(=O)NC2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)no1 ZINC000365242320 511338894 /nfs/dbraw/zinc/33/88/94/511338894.db2.gz OICHGWDWGSPQCV-UHFFFAOYSA-N -1 3 367.808 2.876 20 10 FFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC2(CCOCC2)O1 ZINC000280560150 511511370 /nfs/dbraw/zinc/51/13/70/511511370.db2.gz UVFFOPRJWITSMM-GFCCVEGCSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273343607 511522831 /nfs/dbraw/zinc/52/28/31/511522831.db2.gz ABGHVSBPWQOYMT-LBPRGKRZSA-N -1 3 363.435 2.897 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273343605 511523256 /nfs/dbraw/zinc/52/32/56/511523256.db2.gz ABGHVSBPWQOYMT-GFCCVEGCSA-N -1 3 363.435 2.897 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000273497002 511529342 /nfs/dbraw/zinc/52/93/42/511529342.db2.gz PHRUQWOBVNFBBS-GFCCVEGCSA-N -1 3 355.394 2.882 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273536053 511530457 /nfs/dbraw/zinc/53/04/57/511530457.db2.gz XKJKFECOKREHBI-BONVTDFDSA-N -1 3 351.349 2.841 20 10 FFCDHM CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000296272361 511680512 /nfs/dbraw/zinc/68/05/12/511680512.db2.gz DRCAUXREHWIUGH-OIRASMEMSA-N -1 3 373.902 2.883 20 10 FFCDHM COc1cc(Br)cc(CN2CCn3cc(C)nc3C2)c1[O-] ZINC000374705144 512963888 /nfs/dbraw/zinc/96/38/88/512963888.db2.gz ZGLDLEHODJYRJT-UHFFFAOYSA-N -1 3 352.232 2.684 20 10 FFCDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000368628159 513033830 /nfs/dbraw/zinc/03/38/30/513033830.db2.gz ZQICFHBFTUIXRD-INIZCTEOSA-N -1 3 360.841 2.727 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnn(C2CC2)c1 ZINC000528862295 516757005 /nfs/dbraw/zinc/75/70/05/516757005.db2.gz MXPLCSZCLBKPJV-MRXNPFEDSA-N -1 3 374.872 2.971 20 10 FFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000530207292 517631236 /nfs/dbraw/zinc/63/12/36/517631236.db2.gz FNXWABUQNOSQCF-ZSYFIWHWSA-N -1 3 352.818 2.622 20 10 FFCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736132247 598274954 /nfs/dbraw/zinc/27/49/54/598274954.db2.gz ARVRWSFYYWDBDC-SECBINFHSA-N -1 3 374.788 2.985 20 10 FFCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736132247 598274956 /nfs/dbraw/zinc/27/49/56/598274956.db2.gz ARVRWSFYYWDBDC-SECBINFHSA-N -1 3 374.788 2.985 20 10 FFCDHM Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235026 598610539 /nfs/dbraw/zinc/61/05/39/598610539.db2.gz QCOAUBPAWWUDFS-XHDPSFHLSA-N -1 3 350.426 2.660 20 10 FFCDHM Cc1cc(C(=O)N2CC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234947 598611938 /nfs/dbraw/zinc/61/19/38/598611938.db2.gz QCMPFEWVRBSLSW-GFCCVEGCSA-N -1 3 350.426 2.756 20 10 FFCDHM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000833306821 601632404 /nfs/dbraw/zinc/63/24/04/601632404.db2.gz AEKWBLSGYXDSQK-MSOLQXFVSA-N -1 3 357.406 2.623 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000739780119 603397817 /nfs/dbraw/zinc/39/78/17/603397817.db2.gz MXWQCESGOSIMDZ-YVEFUNNKSA-N -1 3 372.421 2.810 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000739780119 603397821 /nfs/dbraw/zinc/39/78/21/603397821.db2.gz MXWQCESGOSIMDZ-YVEFUNNKSA-N -1 3 372.421 2.810 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825323013 607705514 /nfs/dbraw/zinc/70/55/14/607705514.db2.gz NGIDZWSSXPBKPB-UHFFFAOYSA-N -1 3 351.410 2.933 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825323013 607705516 /nfs/dbraw/zinc/70/55/16/607705516.db2.gz NGIDZWSSXPBKPB-UHFFFAOYSA-N -1 3 351.410 2.933 20 10 FFCDHM Cc1cc(C(=O)NCc2ccc[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176651 606022600 /nfs/dbraw/zinc/02/26/00/606022600.db2.gz NNCLIVRZPVTLGL-UHFFFAOYSA-N -1 3 361.409 2.532 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222649 606573916 /nfs/dbraw/zinc/57/39/16/606573916.db2.gz WAGPKAGKCNTDJG-UHFFFAOYSA-N -1 3 350.426 2.595 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821222649 606573917 /nfs/dbraw/zinc/57/39/17/606573917.db2.gz WAGPKAGKCNTDJG-UHFFFAOYSA-N -1 3 350.426 2.595 20 10 FFCDHM CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821615581 607198110 /nfs/dbraw/zinc/19/81/10/607198110.db2.gz DCHLTDLNAWENJR-UHFFFAOYSA-N -1 3 358.789 2.890 20 10 FFCDHM CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821615581 607198111 /nfs/dbraw/zinc/19/81/11/607198111.db2.gz DCHLTDLNAWENJR-UHFFFAOYSA-N -1 3 358.789 2.890 20 10 FFCDHM CCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367325 608344720 /nfs/dbraw/zinc/34/47/20/608344720.db2.gz NIHRSKWPTXFZFQ-YVMONPNESA-N -1 3 354.801 2.981 20 10 FFCDHM CCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367325 608344722 /nfs/dbraw/zinc/34/47/22/608344722.db2.gz NIHRSKWPTXFZFQ-YVMONPNESA-N -1 3 354.801 2.981 20 10 FFCDHM C[C@@H](CCc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055113120 728095043 /nfs/dbraw/zinc/09/50/43/728095043.db2.gz IRKGZEQCJJTBLY-ZDUSSCGKSA-N -1 3 362.451 2.515 20 10 FFCDHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094102674 728479509 /nfs/dbraw/zinc/47/95/09/728479509.db2.gz CRYLOZQKXUQAOF-WFASDCNBSA-N -1 3 354.472 2.852 20 10 FFCDHM COc1ccccc1[C@@H](CO)NCc1c([O-])cccc1Br ZINC000858139628 730417569 /nfs/dbraw/zinc/41/75/69/730417569.db2.gz XHJABMLJZQJYGQ-CQSZACIVSA-N -1 3 352.228 2.987 20 10 FFCDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862383275 730694987 /nfs/dbraw/zinc/69/49/87/730694987.db2.gz OVZZMXJXZIMOEM-LLVKDONJSA-N -1 3 357.248 2.817 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)CCC12CCC2 ZINC000862395138 730696824 /nfs/dbraw/zinc/69/68/24/730696824.db2.gz WLWBKSBJYJSVGW-UHFFFAOYSA-N -1 3 374.300 2.698 20 10 FFCDHM CCC(F)(F)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000862945489 730735954 /nfs/dbraw/zinc/73/59/54/730735954.db2.gz YYCLMSOQBDEGNJ-UHFFFAOYSA-N -1 3 364.414 2.565 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863739255 730805512 /nfs/dbraw/zinc/80/55/12/730805512.db2.gz JOVGWXHJFXXDGS-CABZTGNLSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863739255 730805514 /nfs/dbraw/zinc/80/55/14/730805514.db2.gz JOVGWXHJFXXDGS-CABZTGNLSA-N -1 3 358.232 2.706 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2c([O-])cccc2F)c1 ZINC000886520594 733799961 /nfs/dbraw/zinc/79/99/61/733799961.db2.gz ICVTVZLYRPUORD-VXGBXAGGSA-N -1 3 352.431 2.851 20 10 FFCDHM COCCOC[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894070155 734796233 /nfs/dbraw/zinc/79/62/33/734796233.db2.gz OXXUJSYCOQNUMC-LLVKDONJSA-N -1 3 362.239 2.779 20 10 FFCDHM COC(=O)c1cc(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)no1 ZINC000895450756 735008124 /nfs/dbraw/zinc/00/81/24/735008124.db2.gz CAOAEOKSQRHXHC-UHFFFAOYSA-N -1 3 352.337 2.825 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C1CCCCC1 ZINC000789348116 739340759 /nfs/dbraw/zinc/34/07/59/739340759.db2.gz JUVIWFKEXSMLSQ-KRWDZBQOSA-N -1 3 355.862 2.962 20 10 FFCDHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1 ZINC000758168585 736458057 /nfs/dbraw/zinc/45/80/57/736458057.db2.gz CUXYJEGNVJYJRD-UHFFFAOYSA-N -1 3 353.371 2.899 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000769639688 737548492 /nfs/dbraw/zinc/54/84/92/737548492.db2.gz TXCFBPXSWSFYEC-BFHYXJOUSA-N -1 3 366.483 2.852 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000769688000 737554042 /nfs/dbraw/zinc/55/40/42/737554042.db2.gz AYBADKZFWAXLKC-XNRPHZJLSA-N -1 3 366.483 2.805 20 10 FFCDHM O=C(NCCc1cc(C(F)(F)F)ccn1)NCc1c([O-])cccc1F ZINC000922617413 738174603 /nfs/dbraw/zinc/17/46/03/738174603.db2.gz MQKXMXKCOXXHMN-UHFFFAOYSA-N -1 3 357.307 2.987 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C[C@H]1CCCS1(=O)=O ZINC000929755161 739018428 /nfs/dbraw/zinc/01/84/28/739018428.db2.gz JQQSICXPGNQEIQ-CYBMUJFWSA-N -1 3 362.289 2.554 20 10 FFCDHM CCOC(=O)[C@@H](NCc1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000789582843 739370463 /nfs/dbraw/zinc/37/04/63/739370463.db2.gz ZWGTYJYCTBPWTH-NHYWBVRUSA-N -1 3 372.259 2.603 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](N3CCCC3=O)C2)c1 ZINC000792186817 739648601 /nfs/dbraw/zinc/64/86/01/739648601.db2.gz QXYGIMFOVOMJHE-ZDUSSCGKSA-N -1 3 353.260 2.660 20 10 FFCDHM CN(C)c1ccc(CNC2(c3nn[n-]n3)CCCC2)c(C(F)(F)F)c1 ZINC000793044055 739734001 /nfs/dbraw/zinc/73/40/01/739734001.db2.gz SJYUJWBTYWUIEX-UHFFFAOYSA-N -1 3 354.380 2.844 20 10 FFCDHM CN(C)c1ccc(CNC2(c3nnn[n-]3)CCCC2)c(C(F)(F)F)c1 ZINC000793044055 739734004 /nfs/dbraw/zinc/73/40/04/739734004.db2.gz SJYUJWBTYWUIEX-UHFFFAOYSA-N -1 3 354.380 2.844 20 10 FFCDHM CC1CCC(C)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000794021704 739841604 /nfs/dbraw/zinc/84/16/04/739841604.db2.gz HBRXMVYYHZPAFY-UHFFFAOYSA-N -1 3 354.472 2.710 20 10 FFCDHM [O-]c1c(Br)cccc1CNc1ncccc1N1CCOCC1 ZINC000795789087 740063925 /nfs/dbraw/zinc/06/39/25/740063925.db2.gz GVZPIAQLSCEQBL-UHFFFAOYSA-N -1 3 364.243 2.998 20 10 FFCDHM NC(=O)CCNC(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000797894221 740284645 /nfs/dbraw/zinc/28/46/45/740284645.db2.gz WKCCUTFVFHXSIC-UHFFFAOYSA-N -1 3 362.817 2.655 20 10 FFCDHM CC[C@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)C[C@H](C)S1(=O)=O ZINC000808192448 741197199 /nfs/dbraw/zinc/19/71/99/741197199.db2.gz DBWIBLQHADOTBT-BBRMVZONSA-N -1 3 363.479 2.952 20 10 FFCDHM COC(=O)c1cc(C(C)(C)NCc2cc(F)cc(C(C)=O)c2[O-])no1 ZINC000810049486 741376970 /nfs/dbraw/zinc/37/69/70/741376970.db2.gz WVLSRBYNBOXPFF-UHFFFAOYSA-N -1 3 350.346 2.533 20 10 FFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000824807928 743152525 /nfs/dbraw/zinc/15/25/25/743152525.db2.gz IPULJVRDQBFRTI-HIFRSBDPSA-N -1 3 374.300 2.696 20 10 FFCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC2(CCOCC2)O1 ZINC000825730932 743319861 /nfs/dbraw/zinc/31/98/61/743319861.db2.gz ADOUGWADTJHOBM-GFCCVEGCSA-N -1 3 356.260 2.925 20 10 FFCDHM CNC(=O)OC[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000825940268 743346225 /nfs/dbraw/zinc/34/62/25/743346225.db2.gz RCHYBOYJAATTIU-CYBMUJFWSA-N -1 3 357.248 2.865 20 10 FFCDHM O=S1(=O)CC[C@@]2(C1)CCCN(Cc1ccc(Br)cc1[O-])C2 ZINC000826075433 743364890 /nfs/dbraw/zinc/36/48/90/743364890.db2.gz UNGKOBDVDPWKAU-HNNXBMFYSA-N -1 3 374.300 2.555 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039198 747753940 /nfs/dbraw/zinc/75/39/40/747753940.db2.gz BOSBYUZUKRSTOP-SKDRFNHKSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039198 747753945 /nfs/dbraw/zinc/75/39/45/747753945.db2.gz BOSBYUZUKRSTOP-SKDRFNHKSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[NH2+]C[C@@H](C(=O)[O-])C2CCC2)c1[O-] ZINC000854247902 750268499 /nfs/dbraw/zinc/26/84/99/750268499.db2.gz KBUOBRHJSQLOHJ-GFCCVEGCSA-N -1 3 358.232 2.754 20 10 FFCDHM Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055109611 845323053 /nfs/dbraw/zinc/32/30/53/845323053.db2.gz SRNBZFILNPXYGV-CYBMUJFWSA-N -1 3 362.451 2.872 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822205999 945990961 /nfs/dbraw/zinc/99/09/61/945990961.db2.gz QFGWKUFSWSWPLK-UHFFFAOYSA-N -1 3 359.437 2.823 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822205999 945990965 /nfs/dbraw/zinc/99/09/65/945990965.db2.gz QFGWKUFSWSWPLK-UHFFFAOYSA-N -1 3 359.437 2.823 20 10 FFCDHM COC(=O)c1c(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001593866827 955585465 /nfs/dbraw/zinc/58/54/65/955585465.db2.gz QOMWFYJYHRMSNS-AAEUAGOBSA-N -1 3 362.401 2.647 20 10 FFCDHM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(Cl)cc1[O-] ZINC001275892859 1013150103 /nfs/dbraw/zinc/15/01/03/1013150103.db2.gz LIQWLEKJDOBHNH-BFUOFWGJSA-N -1 3 364.873 2.980 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(F)CN(Cc3ccc(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001275895382 1013154853 /nfs/dbraw/zinc/15/48/53/1013154853.db2.gz ZSBSQPCLBYRPCQ-MZPVMMEZSA-N -1 3 358.816 2.919 20 10 FFCDHM O=C1N(Cc2ncccn2)CC[C@]12CCCN2Cc1ccc(Cl)cc1[O-] ZINC001275895532 1013155829 /nfs/dbraw/zinc/15/58/29/1013155829.db2.gz KYSBPKAIZCZMAD-LJQANCHMSA-N -1 3 372.856 2.603 20 10 FFCDHM O=C1N(Cc2ccncc2)CC[C@@]12CCCN2Cc1cccc(F)c1[O-] ZINC001276086759 1013428091 /nfs/dbraw/zinc/42/80/91/1013428091.db2.gz UAKRDVPPSMPDNW-FQEVSTJZSA-N -1 3 355.413 2.693 20 10 FFCDHM CC(=O)N1CCC(=Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)CC1 ZINC001176031725 1013614906 /nfs/dbraw/zinc/61/49/06/1013614906.db2.gz FTAMEHYYUTZRIM-UHFFFAOYSA-N -1 3 362.385 2.716 20 10 FFCDHM Cc1nc(C)c(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(=O)[n-]1 ZINC000031221332 979863829 /nfs/dbraw/zinc/86/38/29/979863829.db2.gz ALTQMXSTARAGDQ-UHFFFAOYSA-N -1 3 368.481 2.578 20 10 FFCDHM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527192 982580517 /nfs/dbraw/zinc/58/05/17/982580517.db2.gz NTWHNFHOBCADCL-ZDUSSCGKSA-N -1 3 356.413 2.566 20 10 FFCDHM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921621283 985478702 /nfs/dbraw/zinc/47/87/02/985478702.db2.gz MJLJLUXCILCCQN-CJNGLKHVSA-N -1 3 365.449 2.614 20 10 FFCDHM NC(=O)c1cc(Cl)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522395 990031997 /nfs/dbraw/zinc/03/19/97/990031997.db2.gz QGLGMADTORFUMT-UHFFFAOYSA-N -1 3 364.192 2.748 20 10 FFCDHM C[C@@H](NCc1cccnc1OCC(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593302903 994730435 /nfs/dbraw/zinc/73/04/35/994730435.db2.gz BHANAVUWGHVGFJ-SNVBAGLBSA-N -1 3 352.337 2.980 20 10 FFCDHM C[C@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)N1[C@H](C)CC[C@@H]1C ZINC001594300718 999161472 /nfs/dbraw/zinc/16/14/72/999161472.db2.gz WHMCQAPWKBAUCH-FRRDWIJNSA-N -1 3 368.861 2.720 20 10 FFCDHM Cc1nc(C)c(CC(=O)NCc2ccc(N3CCCCC3)cc2)c(=O)[n-]1 ZINC000742475270 999775264 /nfs/dbraw/zinc/77/52/64/999775264.db2.gz BUYWDBOLEKXLSU-UHFFFAOYSA-N -1 3 354.454 2.648 20 10 FFCDHM Nc1c(F)cccc1N(C(=O)c1cccc(O)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC001148218759 1001071587 /nfs/dbraw/zinc/07/15/87/1001071587.db2.gz KSIAGGRIURXVNC-HAQNSBGRSA-N -1 3 360.385 2.769 20 10 FFCDHM CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581169 1001174634 /nfs/dbraw/zinc/17/46/34/1001174634.db2.gz NOILSMBNHFJPOX-UHFFFAOYSA-N -1 3 356.334 2.714 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001148587030 1001175581 /nfs/dbraw/zinc/17/55/81/1001175581.db2.gz AQTFNGONFZMRRK-UHFFFAOYSA-N -1 3 372.204 2.745 20 10 FFCDHM Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(O)c([O-])c(O)c3)cc2)n1 ZINC001148590111 1001176675 /nfs/dbraw/zinc/17/66/75/1001176675.db2.gz XHZFUIDHVVNVIC-UHFFFAOYSA-N -1 3 353.378 2.536 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2)CC1 ZINC000771636948 1001176805 /nfs/dbraw/zinc/17/68/05/1001176805.db2.gz LWAXNSOFACMXNJ-UHFFFAOYSA-N -1 3 370.409 2.695 20 10 FFCDHM COCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276191666 1016501422 /nfs/dbraw/zinc/50/14/22/1016501422.db2.gz PIJPYDJCJWSUSC-LJQANCHMSA-N -1 3 368.424 2.664 20 10 FFCDHM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(O)c1[O-] ZINC000790498617 1002393833 /nfs/dbraw/zinc/39/38/33/1002393833.db2.gz VJEVRVOXMDRHJK-UHFFFAOYSA-N -1 3 371.418 2.796 20 10 FFCDHM CCOC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC)c1 ZINC000790550828 1002409657 /nfs/dbraw/zinc/40/96/57/1002409657.db2.gz GSQIACZYLWBVNU-OAHLLOKOSA-N -1 3 359.378 2.531 20 10 FFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790619459 1002448776 /nfs/dbraw/zinc/44/87/76/1002448776.db2.gz FFOYDDFXSQOCFA-QWHCGFSZSA-N -1 3 364.442 2.863 20 10 FFCDHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1[O-] ZINC000790689707 1002461992 /nfs/dbraw/zinc/46/19/92/1002461992.db2.gz OAPKUJIACABNBH-UHFFFAOYSA-N -1 3 365.332 2.582 20 10 FFCDHM COc1c([O-])c(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1[N+](=O)[O-] ZINC000774976358 1003192256 /nfs/dbraw/zinc/19/22/56/1003192256.db2.gz LZJWVNXAVFVZAC-VIFPVBQESA-N -1 3 359.338 2.641 20 10 FFCDHM COC(=O)c1cc2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)cnc2[nH]1 ZINC001193605866 1004536530 /nfs/dbraw/zinc/53/65/30/1004536530.db2.gz MOOIFZHFAJROQT-UHFFFAOYSA-N -1 3 361.741 2.666 20 10 FFCDHM C[C@@H]1Cc2cc(S(=O)(=O)NCc3c([O-])cccc3F)cc(Cl)c2O1 ZINC001195136772 1004900359 /nfs/dbraw/zinc/90/03/59/1004900359.db2.gz LGJGBTNPPXYXGC-SECBINFHSA-N -1 3 371.817 2.987 20 10 FFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c(C)cc1O ZINC001195378316 1004956638 /nfs/dbraw/zinc/95/66/38/1004956638.db2.gz IEYHESZXFYVCAZ-UHFFFAOYSA-N -1 3 365.407 2.610 20 10 FFCDHM O=C(Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1)c1ccncc1 ZINC000776338188 1005370429 /nfs/dbraw/zinc/37/04/29/1005370429.db2.gz GEZVCZTULZUFNQ-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000881934312 1006261850 /nfs/dbraw/zinc/26/18/50/1006261850.db2.gz RTZGDUXTFIHBDH-UHFFFAOYSA-N -1 3 362.426 2.571 20 10 FFCDHM CN(CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccccn1 ZINC001177413428 1008603093 /nfs/dbraw/zinc/60/30/93/1008603093.db2.gz CFJKNPDUQGWWBO-UHFFFAOYSA-N -1 3 356.813 2.741 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC001178413542 1008984378 /nfs/dbraw/zinc/98/43/78/1008984378.db2.gz UHUZHHVELPSJDS-UHFFFAOYSA-N -1 3 355.325 2.580 20 10 FFCDHM CC1(C)c2ccccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000774025827 1010430657 /nfs/dbraw/zinc/43/06/57/1010430657.db2.gz NNVNNCYFNUGSOV-UHFFFAOYSA-N -1 3 374.462 2.697 20 10 FFCDHM O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712283 1019085985 /nfs/dbraw/zinc/08/59/85/1019085985.db2.gz QFOTVBZCGFZXSM-INIZCTEOSA-N -1 3 370.424 2.629 20 10 FFCDHM COc1cccc([O-])c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900756273 1020632049 /nfs/dbraw/zinc/63/20/49/1020632049.db2.gz SBGMJXIWZBQZDC-UHFFFAOYSA-N -1 3 370.449 2.540 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CCCC[NH2+]C3)c1C2=O ZINC001217970972 1032925772 /nfs/dbraw/zinc/92/57/72/1032925772.db2.gz RIQUZJNHDBYWEM-CYBMUJFWSA-N -1 3 367.401 2.703 20 10 FFCDHM CCN(CC)S(=O)(=O)c1ccc(NCc2c([O-])cccc2F)nc1 ZINC001119974737 1023189377 /nfs/dbraw/zinc/18/93/77/1023189377.db2.gz JYAQQZKPCRGAGQ-UHFFFAOYSA-N -1 3 353.419 2.569 20 10 FFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000193134232 1024397297 /nfs/dbraw/zinc/39/72/97/1024397297.db2.gz NVEARVBJHQGJQT-HKUYNNGSSA-N -1 3 370.449 2.507 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2c[nH]nc2cn1 ZINC001153266956 1027817277 /nfs/dbraw/zinc/81/72/77/1027817277.db2.gz DHYUXZZFCUQTTD-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001203657275 1030810406 /nfs/dbraw/zinc/81/04/06/1030810406.db2.gz BRYYRGQZZYADGU-UHFFFAOYSA-N -1 3 357.845 2.893 20 10 FFCDHM O=C(Cc1ccsc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203665440 1030814857 /nfs/dbraw/zinc/81/48/57/1030814857.db2.gz JXXUEGHTGSZAQO-UHFFFAOYSA-N -1 3 350.871 2.994 20 10 FFCDHM COC(=O)[C@@H]1CC[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226379273 1034657569 /nfs/dbraw/zinc/65/75/69/1034657569.db2.gz AOQSYPXEGOEFGZ-NEPJUHHUSA-N -1 3 366.369 2.888 20 10 FFCDHM O=C1NC2(C[C@@H]1c1cccnc1)CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139683299 1035197011 /nfs/dbraw/zinc/19/70/11/1035197011.db2.gz HCPWFIJWMCPGOK-CQSZACIVSA-N -1 3 373.403 2.704 20 10 FFCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001139681969 1035197048 /nfs/dbraw/zinc/19/70/48/1035197048.db2.gz JZSVITAFHNXQBU-DJJJIMSYSA-N -1 3 362.376 2.878 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)N(Cc2c([O-])cccc2Cl)C1 ZINC001140342639 1035445470 /nfs/dbraw/zinc/44/54/70/1035445470.db2.gz RPFYEMBLWGJKFT-NWDGAFQWSA-N -1 3 356.850 2.506 20 10 FFCDHM CCOC(=O)c1nc2c(s1)CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232262783 1035534424 /nfs/dbraw/zinc/53/44/24/1035534424.db2.gz PUYYGZAJUZRVMR-UHFFFAOYSA-N -1 3 368.842 2.943 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2cc(Cl)c(C)cc2[O-])C1=O ZINC001277215466 1035589428 /nfs/dbraw/zinc/58/94/28/1035589428.db2.gz WOCJBUDZQSDIPT-ORAYPTAESA-N -1 3 364.873 2.898 20 10 FFCDHM COC(=O)C1(C)CC(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229192758 1036542544 /nfs/dbraw/zinc/54/25/44/1036542544.db2.gz SOPOYOOUCUMLHB-UHFFFAOYSA-N -1 3 366.369 2.888 20 10 FFCDHM CCOC(=O)[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229191870 1036543935 /nfs/dbraw/zinc/54/39/35/1036543935.db2.gz FPSCCEJKHLFUCJ-TXEJJXNPSA-N -1 3 366.369 2.888 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@]23CCN(CC(F)F)C3=O)c(Cl)c1 ZINC001277833251 1036930488 /nfs/dbraw/zinc/93/04/88/1036930488.db2.gz FPNFMZBSGHHJID-KRWDZBQOSA-N -1 3 374.815 2.886 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1=O ZINC001277507866 1037540321 /nfs/dbraw/zinc/54/03/21/1037540321.db2.gz RVMRKIRDDFHMON-ZMZPIMSZSA-N -1 3 368.836 2.587 20 10 FFCDHM O=C1C[C@@]2(CN1C1COC1)CCCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277510645 1037554234 /nfs/dbraw/zinc/55/42/34/1037554234.db2.gz PUAWZCGYTGDVSM-GOSISDBHSA-N -1 3 368.836 2.541 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)c([O-])c1 ZINC001231451849 1037591218 /nfs/dbraw/zinc/59/12/18/1037591218.db2.gz WXDVBFWHRRBKCO-UHFFFAOYSA-N -1 3 370.380 2.715 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1 ZINC001231452930 1037594626 /nfs/dbraw/zinc/59/46/26/1037594626.db2.gz XKFHOZZXVPOOBH-NSHDSACASA-N -1 3 371.315 2.872 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1 ZINC001231452930 1037594633 /nfs/dbraw/zinc/59/46/33/1037594633.db2.gz XKFHOZZXVPOOBH-NSHDSACASA-N -1 3 371.315 2.872 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCNC[C@H]1C(F)(F)F ZINC001236981216 1038397467 /nfs/dbraw/zinc/39/74/67/1038397467.db2.gz LSWAXQGMSSAVBY-JTQLQIEISA-N -1 3 357.145 2.630 20 10 FFCDHM CN(C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1)S(C)(=O)=O ZINC001237080860 1038438280 /nfs/dbraw/zinc/43/82/80/1038438280.db2.gz GNAJQVLQCIFKHC-UHFFFAOYSA-N -1 3 367.298 2.555 20 10 FFCDHM CC(C)=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001276606092 1038623516 /nfs/dbraw/zinc/62/35/16/1038623516.db2.gz VGUDBYNEISGBBM-HXUWFJFHSA-N -1 3 358.438 2.624 20 10 FFCDHM CC(C)=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001276606092 1038623520 /nfs/dbraw/zinc/62/35/20/1038623520.db2.gz VGUDBYNEISGBBM-HXUWFJFHSA-N -1 3 358.438 2.624 20 10 FFCDHM CCCCOC[C@@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001252520807 1039579100 /nfs/dbraw/zinc/57/91/00/1039579100.db2.gz PTEPLVCRODJORL-ZDUSSCGKSA-N -1 3 369.417 2.757 20 10 FFCDHM COCCN1C(=O)CCC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237937125 1043444744 /nfs/dbraw/zinc/44/47/44/1043444744.db2.gz NVJVJRDCYAETMC-UHFFFAOYSA-N -1 3 370.852 2.788 20 10 FFCDHM C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCN3Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC001279983161 1044034097 /nfs/dbraw/zinc/03/40/97/1044034097.db2.gz FJSGDTQJVVMXEX-IZSNYMMISA-N -1 3 364.873 2.646 20 10 FFCDHM CCN(C(=O)c1[nH]nc2c1CN(Cc1cc(F)ccc1[O-])CC2)C(C)C ZINC001280292971 1044562054 /nfs/dbraw/zinc/56/20/54/1044562054.db2.gz FSVRVMWYRGYJHN-UHFFFAOYSA-N -1 3 360.433 2.683 20 10 FFCDHM CON(C)S(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC001308515212 1052464090 /nfs/dbraw/zinc/46/40/90/1052464090.db2.gz BVJQVQFMHCDYGC-UHFFFAOYSA-N -1 3 356.831 2.840 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001338750886 1055783010 /nfs/dbraw/zinc/78/30/10/1055783010.db2.gz ZZMWILVXSQXDNH-LLVKDONJSA-N -1 3 373.482 2.785 20 10 FFCDHM COc1c([O-])c(CNc2ccc(N3C(=O)CCC3=O)cc2)ccc1[N+](=O)[O-] ZINC001462669070 1061716065 /nfs/dbraw/zinc/71/60/65/1061716065.db2.gz QBJRBSQQYLCQHZ-UHFFFAOYSA-N -1 3 371.349 2.575 20 10 FFCDHM CNC(=O)c1cc2cc(NC(=O)NCc3c([O-])cccc3F)ccc2[nH]1 ZINC001466395916 1063422578 /nfs/dbraw/zinc/42/25/78/1063422578.db2.gz WDJHZWRVVFQWBI-UHFFFAOYSA-N -1 3 356.357 2.694 20 10 FFCDHM Oc1cccc2c1CN(c1cc(Br)ccc1-c1nnn[n-]1)C2 ZINC001582816527 1079113039 /nfs/dbraw/zinc/11/30/39/1079113039.db2.gz OILWQVLPRZXCFZ-UHFFFAOYSA-N -1 3 358.199 2.855 20 10 FFCDHM Oc1cccc2c1CN(c1cc(Br)ccc1-c1nn[n-]n1)C2 ZINC001582816527 1079113044 /nfs/dbraw/zinc/11/30/44/1079113044.db2.gz OILWQVLPRZXCFZ-UHFFFAOYSA-N -1 3 358.199 2.855 20 10 FFCDHM Cn1nccc1[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001574472052 1077997455 /nfs/dbraw/zinc/99/74/55/1077997455.db2.gz GYRSCJHMZHOQHR-IBGZPJMESA-N -1 3 367.405 2.620 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267673 1080454747 /nfs/dbraw/zinc/45/47/47/1080454747.db2.gz HFTHJXUVJDDMGM-SXXVAAGHSA-N -1 3 367.829 2.843 20 10 FFCDHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589936957 1080881775 /nfs/dbraw/zinc/88/17/75/1080881775.db2.gz SLDHMHFJWLFFET-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589936957 1080881779 /nfs/dbraw/zinc/88/17/79/1080881779.db2.gz SLDHMHFJWLFFET-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589937087 1080882028 /nfs/dbraw/zinc/88/20/28/1080882028.db2.gz NAMRCWCXQJLAJS-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589937087 1080882035 /nfs/dbraw/zinc/88/20/35/1080882035.db2.gz NAMRCWCXQJLAJS-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964345 1080908039 /nfs/dbraw/zinc/90/80/39/1080908039.db2.gz QTXLTIPUJVOJPF-OLZOCXBDSA-N -1 3 351.410 2.789 20 10 FFCDHM C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978614 1080917588 /nfs/dbraw/zinc/91/75/88/1080917588.db2.gz VRCBPFGUBVIQRJ-BONVTDFDSA-N -1 3 355.373 2.886 20 10 FFCDHM CN(C)S(=O)(=O)c1ccccc1CNCc1c([O-])cccc1Cl ZINC000113319278 508260741 /nfs/dbraw/zinc/26/07/41/508260741.db2.gz WHMLTCLXTXAGJE-UHFFFAOYSA-N -1 3 354.859 2.586 20 10 FFCDHM COCCc1noc(CN(C)Cc2cc(Br)cc(C)c2[O-])n1 ZINC000180376062 509892686 /nfs/dbraw/zinc/89/26/86/509892686.db2.gz ACSVLEYMIKSWCG-UHFFFAOYSA-N -1 3 370.247 2.667 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187694028 510390610 /nfs/dbraw/zinc/39/06/10/510390610.db2.gz NABXYNQFAGXHLV-MNOVXSKESA-N -1 3 370.421 2.990 20 10 FFCDHM Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c([O-])c1O ZINC000181820591 510610985 /nfs/dbraw/zinc/61/09/85/510610985.db2.gz DOWGSSKIRXMBBP-UHFFFAOYSA-N -1 3 368.433 2.962 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([O-])c1O ZINC000181964524 510680713 /nfs/dbraw/zinc/68/07/13/510680713.db2.gz YRUCWFHMPYNKRE-CYBMUJFWSA-N -1 3 360.454 2.517 20 10 FFCDHM C[C@@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276907084 510949692 /nfs/dbraw/zinc/94/96/92/510949692.db2.gz OGTXLPTWSLGSIX-SJKOYZFVSA-N -1 3 373.384 2.891 20 10 FFCDHM CC(C)(C)OC(=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000278041069 510979893 /nfs/dbraw/zinc/97/98/93/510979893.db2.gz WCLKAEKEPCDSLG-UHFFFAOYSA-N -1 3 368.817 2.542 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000278128043 510982221 /nfs/dbraw/zinc/98/22/21/510982221.db2.gz NSOFYPRHYLUMMR-SQWLQELKSA-N -1 3 364.829 2.767 20 10 FFCDHM COc1c([O-])c(CN(C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269925 510986396 /nfs/dbraw/zinc/98/63/96/510986396.db2.gz RKLVOXGKUNFIFN-VWLOTQADSA-N -1 3 364.423 2.678 20 10 FFCDHM [O-]c1ccc(Br)cc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000282471373 510990739 /nfs/dbraw/zinc/99/07/39/510990739.db2.gz URIJHRYVZSVDEF-QGZVFWFLSA-N -1 3 364.239 2.915 20 10 FFCDHM COc1c([O-])c(CNCc2nc3cc(C)ccc3n2C)ccc1[N+](=O)[O-] ZINC000278538178 510997152 /nfs/dbraw/zinc/99/71/52/510997152.db2.gz WRBQKHLBMYIKHO-UHFFFAOYSA-N -1 3 356.382 2.794 20 10 FFCDHM CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279258355 511022642 /nfs/dbraw/zinc/02/26/42/511022642.db2.gz IZDOTQZXRNVGSD-LLVKDONJSA-N -1 3 362.455 2.579 20 10 FFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000286715564 511031463 /nfs/dbraw/zinc/03/14/63/511031463.db2.gz RZNGRDMSZBXEOZ-UHFFFAOYSA-N -1 3 359.373 2.645 20 10 FFCDHM Cc1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c([O-])c1O ZINC000271317691 511160336 /nfs/dbraw/zinc/16/03/36/511160336.db2.gz WPJLKWPLSRVAEO-UHFFFAOYSA-N -1 3 369.421 2.964 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC000279787716 511215385 /nfs/dbraw/zinc/21/53/85/511215385.db2.gz IDOBPALXCJKWBX-OLZOCXBDSA-N -1 3 362.426 2.712 20 10 FFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000295376201 511382761 /nfs/dbraw/zinc/38/27/61/511382761.db2.gz SSXSXMXNFCOUDH-UHFFFAOYSA-N -1 3 366.464 2.736 20 10 FFCDHM C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273416948 511525046 /nfs/dbraw/zinc/52/50/46/511525046.db2.gz QZCQIYOBHCRTLO-ZDUSSCGKSA-N -1 3 364.423 2.566 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000273594206 511545442 /nfs/dbraw/zinc/54/54/42/511545442.db2.gz QCHBVSWRZVUFQU-LLVKDONJSA-N -1 3 360.366 2.946 20 10 FFCDHM COc1cccc2c1OCC[C@@H]2NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365829623 511674369 /nfs/dbraw/zinc/67/43/69/511674369.db2.gz XYKQJWMQCIZKMO-ZDUSSCGKSA-N -1 3 360.366 2.931 20 10 FFCDHM O=C1[C@@H](NCc2cc(Cl)c(F)cc2[O-])CCCN1CC(F)(F)F ZINC000293721199 512062924 /nfs/dbraw/zinc/06/29/24/512062924.db2.gz VOFWVGPXPWCNAS-NSHDSACASA-N -1 3 354.731 2.828 20 10 FFCDHM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000373705795 512466273 /nfs/dbraw/zinc/46/62/73/512466273.db2.gz BBPDAVYWCYRVEC-KBPBESRZSA-N -1 3 354.244 2.725 20 10 FFCDHM NC(=O)c1cc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)ccn1 ZINC000367708036 512626155 /nfs/dbraw/zinc/62/61/55/512626155.db2.gz QNNBQGHDBCQFIV-UHFFFAOYSA-N -1 3 361.829 2.583 20 10 FFCDHM COc1ccc(O)c(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737107054 598923295 /nfs/dbraw/zinc/92/32/95/598923295.db2.gz ZOWIRYGPACBTOS-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM COc1ccc(O)c(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737107054 598923297 /nfs/dbraw/zinc/92/32/97/598923297.db2.gz ZOWIRYGPACBTOS-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM Cc1cc(C(=O)N[C@H]2CCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169023 599190684 /nfs/dbraw/zinc/19/06/84/599190684.db2.gz WLCIUCOFCXJYOY-AWEZNQCLSA-N -1 3 368.466 2.510 20 10 FFCDHM Cc1cc(C(=O)NCCC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177306 599191077 /nfs/dbraw/zinc/19/10/77/599191077.db2.gz XDYWDBIOULDAHH-UHFFFAOYSA-N -1 3 350.426 2.804 20 10 FFCDHM Cc1cccnc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737437443 598277755 /nfs/dbraw/zinc/27/77/55/598277755.db2.gz ZFMJKLKDJVMHCL-UHFFFAOYSA-N -1 3 359.846 2.710 20 10 FFCDHM Cc1cccnc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737437443 598277757 /nfs/dbraw/zinc/27/77/57/598277757.db2.gz ZFMJKLKDJVMHCL-UHFFFAOYSA-N -1 3 359.846 2.710 20 10 FFCDHM Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236311 598609552 /nfs/dbraw/zinc/60/95/52/598609552.db2.gz IDDQOHGOLIYRAS-UHFFFAOYSA-N -1 3 373.420 2.599 20 10 FFCDHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000737571258 598635674 /nfs/dbraw/zinc/63/56/74/598635674.db2.gz YSSUYXGVXXLQCW-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000737571258 598635675 /nfs/dbraw/zinc/63/56/75/598635675.db2.gz YSSUYXGVXXLQCW-UHFFFAOYSA-N -1 3 370.844 2.969 20 10 FFCDHM Cc1cc(C(=O)Nc2cnc(C)nc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737502789 598668907 /nfs/dbraw/zinc/66/89/07/598668907.db2.gz YBFLSHGMDFJSLQ-UHFFFAOYSA-N -1 3 374.408 2.625 20 10 FFCDHM O=C([O-])[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000738548473 599956909 /nfs/dbraw/zinc/95/69/09/599956909.db2.gz HDPBIMIHOVSOBR-OAHLLOKOSA-N -1 3 366.211 2.593 20 10 FFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(OC)c(OC)cc1O ZINC000825632623 609477825 /nfs/dbraw/zinc/47/78/25/609477825.db2.gz YDVMNBFTPJTDAT-UHFFFAOYSA-N -1 3 371.397 2.600 20 10 FFCDHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092228136 728465432 /nfs/dbraw/zinc/46/54/32/728465432.db2.gz PEEZDPTUVCGZQO-BXUZGUMPSA-N -1 3 354.472 2.708 20 10 FFCDHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094102675 728479433 /nfs/dbraw/zinc/47/94/33/728479433.db2.gz CRYLOZQKXUQAOF-IUODEOHRSA-N -1 3 354.472 2.852 20 10 FFCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCCC[C@@H]1C ZINC000094098863 728479653 /nfs/dbraw/zinc/47/96/53/728479653.db2.gz JJIKYDQHRYLAQH-WFASDCNBSA-N -1 3 354.472 2.805 20 10 FFCDHM O=C(CN1CCN(Cc2c([O-])cccc2Cl)CC1)Nc1ccccc1 ZINC000124714275 728673698 /nfs/dbraw/zinc/67/36/98/728673698.db2.gz GUABXYXEUKNVMK-UHFFFAOYSA-N -1 3 359.857 2.802 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)Cc1ccccc1 ZINC000171938147 729015852 /nfs/dbraw/zinc/01/58/52/729015852.db2.gz SCHPCSAAXUXJME-QGZVFWFLSA-N -1 3 363.841 2.624 20 10 FFCDHM CCCS(=O)(=O)CCN(CC)Cc1cc(Br)ccc1[O-] ZINC000174423315 729071774 /nfs/dbraw/zinc/07/17/74/729071774.db2.gz VCQYXRKFMLMFTQ-UHFFFAOYSA-N -1 3 364.305 2.801 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2ccc(S(C)(=O)=O)nc2)c1 ZINC000759089673 736546171 /nfs/dbraw/zinc/54/61/71/736546171.db2.gz KRCRYWFWUXWIEO-UHFFFAOYSA-N -1 3 371.256 2.874 20 10 FFCDHM CCc1nn(C)c(OC)c1CNCc1c([O-])cccc1Br ZINC000858155591 730418107 /nfs/dbraw/zinc/41/81/07/730418107.db2.gz FOOGYLSHDIVSAG-UHFFFAOYSA-N -1 3 354.248 2.749 20 10 FFCDHM [O-]c1cccc(Br)c1CN[C@@]1(CO)CCOc2ccccc21 ZINC000858161570 730418301 /nfs/dbraw/zinc/41/83/01/730418301.db2.gz BHBZOEYEJKKXQA-QGZVFWFLSA-N -1 3 364.239 2.915 20 10 FFCDHM CCN(Cc1c([O-])cccc1Br)[C@@H](C)CS(=O)(=O)CC ZINC000862245305 730681076 /nfs/dbraw/zinc/68/10/76/730681076.db2.gz MPMHYUDJWBUOJW-NSHDSACASA-N -1 3 364.305 2.800 20 10 FFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@]2(CCOC2)O1 ZINC000862352120 730690978 /nfs/dbraw/zinc/69/09/78/730690978.db2.gz ZRBRAZSJJVEACM-WBMJQRKESA-N -1 3 356.260 2.925 20 10 FFCDHM C/C=C\C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000863819203 730810461 /nfs/dbraw/zinc/81/04/61/730810461.db2.gz RTDLAHKMUIBDGD-SCOBNMCVSA-N -1 3 352.456 2.582 20 10 FFCDHM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872753230 731826918 /nfs/dbraw/zinc/82/69/18/731826918.db2.gz JYFVCGZKNNKNBC-MRXNPFEDSA-N -1 3 353.344 2.583 20 10 FFCDHM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872753230 731826921 /nfs/dbraw/zinc/82/69/21/731826921.db2.gz JYFVCGZKNNKNBC-MRXNPFEDSA-N -1 3 353.344 2.583 20 10 FFCDHM COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823133 732442045 /nfs/dbraw/zinc/44/20/45/732442045.db2.gz VCRJITZBQONDFQ-CABZTGNLSA-N -1 3 364.320 2.851 20 10 FFCDHM COC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1Br ZINC000781390342 738623055 /nfs/dbraw/zinc/62/30/55/738623055.db2.gz KEOFDVALLWVMPN-UHFFFAOYSA-N -1 3 366.167 2.899 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(CC(N)=O)Cc2ccccc2)c1 ZINC000781914678 738672364 /nfs/dbraw/zinc/67/23/64/738672364.db2.gz ZGCSFNPKYHECOM-UHFFFAOYSA-N -1 3 363.255 2.951 20 10 FFCDHM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccc1O ZINC000882798489 733296868 /nfs/dbraw/zinc/29/68/68/733296868.db2.gz ONPWWSNDAXFDEQ-UHFFFAOYSA-N -1 3 360.435 2.835 20 10 FFCDHM CN(CCN1CCCC1=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894016607 734787207 /nfs/dbraw/zinc/78/72/07/734787207.db2.gz HCLZENIDJIKPGL-UHFFFAOYSA-N -1 3 361.667 2.862 20 10 FFCDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2O)cc1Cl ZINC000751150751 735849641 /nfs/dbraw/zinc/84/96/41/735849641.db2.gz KYOXSDKVLLQXNM-UHFFFAOYSA-N -1 3 372.805 2.622 20 10 FFCDHM CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000790880088 739507864 /nfs/dbraw/zinc/50/78/64/739507864.db2.gz ZIJWPVCNYSBURC-LBPRGKRZSA-N -1 3 352.431 2.911 20 10 FFCDHM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758169323 736457879 /nfs/dbraw/zinc/45/78/79/736457879.db2.gz OJKVJSLUQOLLLB-UHFFFAOYSA-N -1 3 372.805 2.687 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000921431963 737982856 /nfs/dbraw/zinc/98/28/56/737982856.db2.gz CKUSFHDAHHFNEN-LLVKDONJSA-N -1 3 364.808 2.658 20 10 FFCDHM COC(=O)CN(Cc1ccc(OC)cn1)Cc1cc(Cl)ccc1[O-] ZINC000775981562 738149523 /nfs/dbraw/zinc/14/95/23/738149523.db2.gz GASVSLMSOVOWTK-UHFFFAOYSA-N -1 3 350.802 2.624 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360833 739773413 /nfs/dbraw/zinc/77/34/13/739773413.db2.gz ACSHLLKKSITLTO-WBMJQRKESA-N -1 3 356.260 2.843 20 10 FFCDHM O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cccc(O)c1[O-] ZINC000801591152 740634653 /nfs/dbraw/zinc/63/46/53/740634653.db2.gz AVPNSKSTOAMZBE-UHFFFAOYSA-N -1 3 366.776 2.979 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)C2CN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000810073511 741381985 /nfs/dbraw/zinc/38/19/85/741381985.db2.gz ZQNGNRJTNOTPDX-UHFFFAOYSA-N -1 3 352.406 2.785 20 10 FFCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511308 742036840 /nfs/dbraw/zinc/03/68/40/742036840.db2.gz TZYOZVIPKXVIAR-NSHDSACASA-N -1 3 354.731 2.780 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817882136 742220397 /nfs/dbraw/zinc/22/03/97/742220397.db2.gz ZWHOIEDARDIBTB-ONGXEEELSA-N -1 3 358.232 2.706 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817882136 742220399 /nfs/dbraw/zinc/22/03/99/742220399.db2.gz ZWHOIEDARDIBTB-ONGXEEELSA-N -1 3 358.232 2.706 20 10 FFCDHM Cn1ccnc1[C@@H](NCc1cccc(Br)c1[O-])C(C)(C)CO ZINC000824672479 743126297 /nfs/dbraw/zinc/12/62/97/743126297.db2.gz CDKRLNRROZRTTH-CQSZACIVSA-N -1 3 368.275 2.738 20 10 FFCDHM C[C@@H]1CN=C(N2CCN(Cc3ccc(Br)cc3[O-])CC2)S1 ZINC000824862447 743167226 /nfs/dbraw/zinc/16/72/26/743167226.db2.gz ILAMYQZPEWNHOD-LLVKDONJSA-N -1 3 370.316 2.764 20 10 FFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC000824943905 743183188 /nfs/dbraw/zinc/18/31/88/743183188.db2.gz VYGVYJYGDZPXES-FMKPAKJESA-N -1 3 356.260 2.923 20 10 FFCDHM C[C@H]1OCC[C@]12CN(Cc1ccc(Br)cc1[O-])C[C@@H](C)O2 ZINC000825731936 743320078 /nfs/dbraw/zinc/32/00/78/743320078.db2.gz MONQFVSJQHEZRM-HSMVNMDESA-N -1 3 356.260 2.923 20 10 FFCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)S1(=O)=O ZINC000825900746 743340661 /nfs/dbraw/zinc/34/06/61/743340661.db2.gz PWQBUTZUULSKKC-GXFFZTMASA-N -1 3 362.289 2.552 20 10 FFCDHM CCOc1ccc(N2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)nn1 ZINC000827799224 744980954 /nfs/dbraw/zinc/98/09/54/744980954.db2.gz MJHPRVMWAAMGDC-UHFFFAOYSA-N -1 3 362.861 2.865 20 10 FFCDHM CCOc1ccc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)nn1 ZINC000827800684 744981218 /nfs/dbraw/zinc/98/12/18/744981218.db2.gz YTFKHQLEKVSNCM-UHFFFAOYSA-N -1 3 362.861 2.865 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000832298279 745674236 /nfs/dbraw/zinc/67/42/36/745674236.db2.gz KQRRTEGAGVPFJS-YMTOWFKASA-N -1 3 351.752 2.993 20 10 FFCDHM C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000834882542 745918702 /nfs/dbraw/zinc/91/87/02/745918702.db2.gz ROHDUQQPRJCJPV-LLVKDONJSA-N -1 3 370.421 2.772 20 10 FFCDHM C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(Br)cc1[O-] ZINC000848557794 748959948 /nfs/dbraw/zinc/95/99/48/748959948.db2.gz LMJJTFIXNKHRQQ-RNCFNFMXSA-N -1 3 367.247 2.975 20 10 FFCDHM Cc1cc(Br)cc(C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])c1[O-] ZINC000848640640 748974713 /nfs/dbraw/zinc/97/47/13/748974713.db2.gz SVKLGBFSYZCLIG-CQSZACIVSA-N -1 3 365.227 2.644 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000055639073 845335030 /nfs/dbraw/zinc/33/50/30/845335030.db2.gz RGNBWBMQARAESS-UHFFFAOYSA-N -1 3 372.443 2.697 20 10 FFCDHM COc1cc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)ccc1C ZINC000179945951 970772150 /nfs/dbraw/zinc/77/21/50/970772150.db2.gz LGZVVLOQBCORFK-UHFFFAOYSA-N -1 3 358.413 2.806 20 10 FFCDHM COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001275957960 1013231626 /nfs/dbraw/zinc/23/16/26/1013231626.db2.gz ZQNPESZLUSLAGJ-HZPDHXFCSA-N -1 3 368.424 2.661 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206245307 1013440174 /nfs/dbraw/zinc/44/01/74/1013440174.db2.gz SSKLUUCZJNUYEL-GFCCVEGCSA-N -1 3 353.182 2.929 20 10 FFCDHM O=C(N1CC=CC1)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1Br ZINC001280313090 967398568 /nfs/dbraw/zinc/39/85/68/967398568.db2.gz PPOSHCPHPCZQTE-YVEFUNNKSA-N -1 3 363.255 2.518 20 10 FFCDHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(N3CCCCC3)cc2)[n-]1 ZINC000895234157 968585242 /nfs/dbraw/zinc/58/52/42/968585242.db2.gz BPWBICWFJRUCOU-AWEZNQCLSA-N -1 3 357.458 2.823 20 10 FFCDHM CC[C@H](C)N1CC[C@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271433873 972993150 /nfs/dbraw/zinc/99/31/50/972993150.db2.gz PHIWZYPVPILTTI-VBKZILBWSA-N -1 3 360.454 2.741 20 10 FFCDHM COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001599122495 997765506 /nfs/dbraw/zinc/76/55/06/997765506.db2.gz LCMFOQMDMLWDPO-CYBMUJFWSA-N -1 3 350.459 2.630 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC12CC2 ZINC001144308721 998306389 /nfs/dbraw/zinc/30/63/89/998306389.db2.gz UUMCMKQAQGRENP-JTQLQIEISA-N -1 3 358.207 2.679 20 10 FFCDHM COc1cccc([O-])c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000824792416 999263664 /nfs/dbraw/zinc/26/36/64/999263664.db2.gz DFAKQQPIEOMWJG-UHFFFAOYSA-N -1 3 356.422 2.510 20 10 FFCDHM O=C([O-])c1cnn2c1[nH]c(CN(Cc1ccco1)C1CCCC1)cc2=O ZINC000846238812 1000240355 /nfs/dbraw/zinc/24/03/55/1000240355.db2.gz NMHFEXUUSNOJDG-UHFFFAOYSA-N -1 3 356.382 2.671 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000769238321 1000472182 /nfs/dbraw/zinc/47/21/82/1000472182.db2.gz NFHLSFYGZLYUIF-AWEZNQCLSA-N -1 3 364.442 2.911 20 10 FFCDHM CCc1nccn1-c1nc(OC)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001148211992 1001067838 /nfs/dbraw/zinc/06/78/38/1001067838.db2.gz GVPTYKANERZGNI-UHFFFAOYSA-N -1 3 354.366 2.502 20 10 FFCDHM Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)c3cccc(O)c3[O-])c21 ZINC001148213172 1001068166 /nfs/dbraw/zinc/06/81/66/1001068166.db2.gz ZFLVLDHRCHIQLF-UHFFFAOYSA-N -1 3 352.272 2.949 20 10 FFCDHM Cn1c2ccccc2nc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC001148225227 1001075877 /nfs/dbraw/zinc/07/58/77/1001075877.db2.gz GPSCGBJTTLMOHY-SFHVURJKSA-N -1 3 374.400 2.899 20 10 FFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001148583121 1001174614 /nfs/dbraw/zinc/17/46/14/1001174614.db2.gz UKBZQFKTOLYTTO-IERDGZPVSA-N -1 3 369.417 2.982 20 10 FFCDHM COC(C)(C)CN1CC[C@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001276192180 1016504234 /nfs/dbraw/zinc/50/42/34/1016504234.db2.gz YWQAYLPCNZWQBQ-LJQANCHMSA-N -1 3 368.424 2.662 20 10 FFCDHM COc1c([O-])c(CNc2cccc(CN3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000774934620 1003075158 /nfs/dbraw/zinc/07/51/58/1003075158.db2.gz RSPQUDSBUZXXTJ-UHFFFAOYSA-N -1 3 373.409 2.753 20 10 FFCDHM CN(C)c1cnccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001198177419 1004522423 /nfs/dbraw/zinc/52/24/23/1004522423.db2.gz OBAQAQIZLXYUSA-UHFFFAOYSA-N -1 3 356.813 2.985 20 10 FFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c(C)cc1O ZINC001195379315 1004956699 /nfs/dbraw/zinc/95/66/99/1004956699.db2.gz XUFFMLLTFJMWJW-UHFFFAOYSA-N -1 3 365.407 2.610 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c([O-])c1O ZINC000813666693 1006009632 /nfs/dbraw/zinc/00/96/32/1006009632.db2.gz AYDCPEBAFRNCFH-UHFFFAOYSA-N -1 3 359.357 2.717 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2N(C)C(=O)CO3)c1 ZINC000883397639 1006778502 /nfs/dbraw/zinc/77/85/02/1006778502.db2.gz RDJNLXFUSWYIJI-LLVKDONJSA-N -1 3 356.378 2.707 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)c2cccc(O)c2[O-])CC1 ZINC000816865779 1007231813 /nfs/dbraw/zinc/23/18/13/1007231813.db2.gz YFAIOJWKBTWJBX-AWEZNQCLSA-N -1 3 362.426 2.617 20 10 FFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000817283625 1007507486 /nfs/dbraw/zinc/50/74/86/1007507486.db2.gz BHJYKVWIGQNEMA-GFCCVEGCSA-N -1 3 356.378 2.936 20 10 FFCDHM COc1ccc(N2CC[C@H](CNC(=O)c3ccc(OC)cc3[O-])C2)cc1 ZINC000819582544 1008181529 /nfs/dbraw/zinc/18/15/29/1008181529.db2.gz IURYXGUIZMOSKY-CQSZACIVSA-N -1 3 356.422 2.666 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000886130279 1008578020 /nfs/dbraw/zinc/57/80/20/1008578020.db2.gz ALVUBMJMIHZPRS-INIZCTEOSA-N -1 3 355.390 2.589 20 10 FFCDHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC001136630425 1008767078 /nfs/dbraw/zinc/76/70/78/1008767078.db2.gz QEUGPJPZHQAANZ-QGZVFWFLSA-N -1 3 369.417 2.877 20 10 FFCDHM CCN(C)c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000773775014 1009142710 /nfs/dbraw/zinc/14/27/10/1009142710.db2.gz WHQWPRZTDWSJJN-UHFFFAOYSA-N -1 3 353.466 2.806 20 10 FFCDHM CCOC(=O)C(C)(C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181056639 1009947783 /nfs/dbraw/zinc/94/77/83/1009947783.db2.gz NDCKZYWJUQWSHA-UHFFFAOYSA-N -1 3 350.802 2.799 20 10 FFCDHM COC(=O)c1ccc(CNCc2cccc(Br)c2[O-])nc1 ZINC001181463807 1010107984 /nfs/dbraw/zinc/10/79/84/1010107984.db2.gz FUDIBIXNEDLHKP-UHFFFAOYSA-N -1 3 351.200 2.626 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000928108286 1018803456 /nfs/dbraw/zinc/80/34/56/1018803456.db2.gz JDWLSGKORZXQFZ-UHFFFAOYSA-N -1 3 355.390 2.682 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000928704861 1019082043 /nfs/dbraw/zinc/08/20/43/1019082043.db2.gz FWZVEAPGZRYYFE-ZDUSSCGKSA-N -1 3 363.433 2.512 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000928706686 1019083620 /nfs/dbraw/zinc/08/36/20/1019083620.db2.gz VCOBODGAIORWRM-AWEZNQCLSA-N -1 3 366.396 2.669 20 10 FFCDHM COCC(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000726962516 1020559158 /nfs/dbraw/zinc/55/91/58/1020559158.db2.gz ZBLMMBYPUXHLRE-UHFFFAOYSA-N -1 3 354.406 2.582 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])c2)CC1 ZINC000803117544 1020626522 /nfs/dbraw/zinc/62/65/22/1020626522.db2.gz YWFDBAHPCARFCY-UHFFFAOYSA-N -1 3 370.409 2.695 20 10 FFCDHM CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NCc3c([O-])cccc3F)cc2O1 ZINC001121064185 1023590656 /nfs/dbraw/zinc/59/06/56/1023590656.db2.gz ACYOREYYZILCPF-LJQANCHMSA-N -1 3 374.368 2.684 20 10 FFCDHM COc1ccccc1N1CC[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000756742799 1023751642 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CN(Cc1cn2c(n1)CN(Cc1cc(F)ccc1[O-])CC2)Cc1ccco1 ZINC001140055467 1035324623 /nfs/dbraw/zinc/32/46/23/1035324623.db2.gz FSQPDBZGJZMBFB-UHFFFAOYSA-N -1 3 370.428 2.969 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001140340527 1035444391 /nfs/dbraw/zinc/44/43/91/1035444391.db2.gz XYWJMLCIFMRRLF-AWEZNQCLSA-N -1 3 357.845 2.771 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1c([O-])cccc1Cl ZINC001140341706 1035444519 /nfs/dbraw/zinc/44/45/19/1035444519.db2.gz DFIPJGUQHLVORP-SFHVURJKSA-N -1 3 374.868 2.905 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001140465275 1035485165 /nfs/dbraw/zinc/48/51/65/1035485165.db2.gz MHERLDQBQMMZGD-IBGZPJMESA-N -1 3 374.872 2.707 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2ncn(C)c21 ZINC001232258016 1035529016 /nfs/dbraw/zinc/52/90/16/1035529016.db2.gz PCDFHOBCMHONQW-GFCCVEGCSA-N -1 3 351.834 2.621 20 10 FFCDHM COc1cc(O[C@@H]2CCOC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227395089 1035533904 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NOMIMJYVUHTVAG-GFCCVEGCSA-O -1 3 370.425 2.655 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC001233134854 1036386036 /nfs/dbraw/zinc/38/60/36/1036386036.db2.gz GGGXOSLQUPIDEH-LBPRGKRZSA-N -1 3 370.165 2.662 20 10 FFCDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192189 1036542518 /nfs/dbraw/zinc/54/25/18/1036542518.db2.gz IJTCLDSJVGYYGD-ABAIWWIYSA-N -1 3 366.369 2.888 20 10 FFCDHM CCOC(=O)c1ncn2c1CN(Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233452401 1036633765 /nfs/dbraw/zinc/63/37/65/1036633765.db2.gz VDCUEMGGZPWQFT-UHFFFAOYSA-N -1 3 369.343 2.800 20 10 FFCDHM CCN1CC[C@H](Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001229540939 1036729817 /nfs/dbraw/zinc/72/98/17/1036729817.db2.gz FDGNJQJCYHCAMP-ZDUSSCGKSA-N -1 3 351.402 2.949 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(C(=O)[O-])cc3O)[C@@H]2C1 ZINC001231449649 1037588370 /nfs/dbraw/zinc/58/83/70/1037588370.db2.gz KLZLHMSLVFOKIY-UKRRQHHQSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1ccc(C(=O)[O-])cc1O ZINC001231448811 1037588404 /nfs/dbraw/zinc/58/84/04/1037588404.db2.gz CMUAVPHPMTVMRX-UHFFFAOYSA-N -1 3 362.426 2.676 20 10 FFCDHM C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453208 1037595288 /nfs/dbraw/zinc/59/52/88/1037595288.db2.gz IJIRAXOMDSPOIB-SWLSCSKDSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453208 1037595295 /nfs/dbraw/zinc/59/52/95/1037595295.db2.gz IJIRAXOMDSPOIB-SWLSCSKDSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455696 1037598508 /nfs/dbraw/zinc/59/85/08/1037598508.db2.gz UCFGMAYHQQITBX-WFASDCNBSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455696 1037598515 /nfs/dbraw/zinc/59/85/15/1037598515.db2.gz UCFGMAYHQQITBX-WFASDCNBSA-N -1 3 364.442 2.968 20 10 FFCDHM COC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231560693 1037684594 /nfs/dbraw/zinc/68/45/94/1037684594.db2.gz OLKZUZASVCVBQH-UHFFFAOYSA-N -1 3 362.426 2.535 20 10 FFCDHM Cc1cc([O-])c(CN2CCn3c(Br)nnc3C2)cc1Cl ZINC001231870590 1037968073 /nfs/dbraw/zinc/96/80/73/1037968073.db2.gz KWUWDSMAROIWHQ-UHFFFAOYSA-N -1 3 357.639 2.724 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001236668441 1038180759 /nfs/dbraw/zinc/18/07/59/1038180759.db2.gz BBRGGRMFULHNJX-CYBMUJFWSA-N -1 3 364.243 2.906 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCNC[C@H]1C(F)(F)F ZINC001236977811 1038392718 /nfs/dbraw/zinc/39/27/18/1038392718.db2.gz WVMNCPUJPAUSNE-NSHDSACASA-N -1 3 357.145 2.630 20 10 FFCDHM CN1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)CC1 ZINC001256306525 1038474094 /nfs/dbraw/zinc/47/40/94/1038474094.db2.gz BESXTBPZSMEZHB-UHFFFAOYSA-N -1 3 365.886 2.893 20 10 FFCDHM CCOc1ccc(N2CCN(C(=O)c3ccc(OC)cc3[O-])CC2)cc1 ZINC001254027269 1040528173 /nfs/dbraw/zinc/52/81/73/1040528173.db2.gz IHMBSUYDIATESS-UHFFFAOYSA-N -1 3 356.422 2.762 20 10 FFCDHM O=C(NCC(F)(F)F)N1CCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001278568709 1041203654 /nfs/dbraw/zinc/20/36/54/1041203654.db2.gz GHXYEIHLQUBTNX-UHFFFAOYSA-N -1 3 363.767 2.578 20 10 FFCDHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1)C1CC1 ZINC001263532022 1042357816 /nfs/dbraw/zinc/35/78/16/1042357816.db2.gz GKRJIJCLGBSIAV-LLVKDONJSA-N -1 3 371.466 2.896 20 10 FFCDHM CO[C@@H]1CCN(Cc2cccc(I)c2[O-])[C@@H](C)C1 ZINC001237784985 1043356217 /nfs/dbraw/zinc/35/62/17/1043356217.db2.gz BTMZMDUXMVMXQK-CMPLNLGQSA-N -1 3 361.223 2.996 20 10 FFCDHM O=C(NCC(F)F)c1cc2c([nH]1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001279983869 1044036771 /nfs/dbraw/zinc/03/67/71/1044036771.db2.gz UKHJUBRGGBMXCT-UHFFFAOYSA-N -1 3 369.799 2.927 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCn3c(nnc3C3CCCC3)C2)c1[O-] ZINC001324114266 1045875058 /nfs/dbraw/zinc/87/50/58/1045875058.db2.gz KFVNBHJLWRLDHC-UHFFFAOYSA-N -1 3 358.417 2.999 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC001322149814 1045969161 /nfs/dbraw/zinc/96/91/61/1045969161.db2.gz OFOOBQZEKBTNGD-UHFFFAOYSA-N -1 3 357.160 2.954 20 10 FFCDHM CCOc1ccc(N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC001324748021 1046204247 /nfs/dbraw/zinc/20/42/47/1046204247.db2.gz YENWBNBWHQBVPG-UHFFFAOYSA-N -1 3 354.454 2.781 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H](COC)C1 ZINC001340986522 1051321942 /nfs/dbraw/zinc/32/19/42/1051321942.db2.gz MIKHGIXWAILPIC-LLVKDONJSA-N -1 3 359.455 2.753 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1ccccc1N1CCCCC1 ZINC001337064514 1054450654 /nfs/dbraw/zinc/45/06/54/1054450654.db2.gz LVXKTDVXRCPCSF-UHFFFAOYSA-N -1 3 371.412 2.777 20 10 FFCDHM [O-]c1c(CNC(=S)NC[C@H]2CCCO2)cc(Cl)c2cccnc12 ZINC001200036090 1055472751 /nfs/dbraw/zinc/47/27/51/1055472751.db2.gz XXZLKLIDSZOPEF-LLVKDONJSA-N -1 3 351.859 2.737 20 10 FFCDHM COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1[O-] ZINC001454262685 1059474499 /nfs/dbraw/zinc/47/44/99/1059474499.db2.gz KYPGYOWKCVHIQK-GOSISDBHSA-N -1 3 363.797 2.655 20 10 FFCDHM C[C@@H]1CN(c2ccc(NC(=O)NCc3c([O-])cccc3F)cn2)C[C@H](C)O1 ZINC001476524404 1061426158 /nfs/dbraw/zinc/42/61/58/1061426158.db2.gz AVUWKFIJYUYIIZ-BETUJISGSA-N -1 3 374.416 2.862 20 10 FFCDHM C[C@](CO)(NC(=O)c1cccc(O)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001470274278 1064292730 /nfs/dbraw/zinc/29/27/30/1064292730.db2.gz FTFZJBUDRQLVFY-MRXNPFEDSA-N -1 3 355.312 2.754 20 10 FFCDHM O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cccc(O)c1[O-] ZINC001557539770 1075859966 /nfs/dbraw/zinc/85/99/66/1075859966.db2.gz SMLPOGWBEOMWAM-IAQYHMDHSA-N -1 3 353.296 2.762 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001558454529 1076009311 /nfs/dbraw/zinc/00/93/11/1076009311.db2.gz IIBCWACIBGXSQR-MRXNPFEDSA-N -1 3 361.394 2.869 20 10 FFCDHM C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960051 1080904558 /nfs/dbraw/zinc/90/45/58/1080904558.db2.gz ZNDOCSMRDBGWOD-VOJFVSQTSA-N -1 3 373.844 2.784 20 10 FFCDHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000093613525 508149885 /nfs/dbraw/zinc/14/98/85/508149885.db2.gz JKLCTEXIXVYFGY-LSDHHAIUSA-N -1 3 370.833 2.706 20 10 FFCDHM COc1ccc([O-])c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000134103085 508492825 /nfs/dbraw/zinc/49/28/25/508492825.db2.gz OSPGQZKHUTWHIU-UHFFFAOYSA-N -1 3 360.385 2.511 20 10 FFCDHM Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c([O-])c1O ZINC000179468852 509459570 /nfs/dbraw/zinc/45/95/70/509459570.db2.gz FHAUWFQUEBXGQV-UHFFFAOYSA-N -1 3 360.454 2.661 20 10 FFCDHM Cc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c([O-])c1O ZINC000182883895 509473887 /nfs/dbraw/zinc/47/38/87/509473887.db2.gz YJJHMVLJBNZUFH-CQSZACIVSA-N -1 3 355.438 2.757 20 10 FFCDHM C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000186403422 509692143 /nfs/dbraw/zinc/69/21/43/509692143.db2.gz VNBHQRSIMRYVER-AWEZNQCLSA-N -1 3 373.428 2.975 20 10 FFCDHM Cc1cc(Br)cc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000180259620 509837809 /nfs/dbraw/zinc/83/78/09/509837809.db2.gz OMWXMVBNUVPSOZ-GHMZBOCLSA-N -1 3 364.305 2.717 20 10 FFCDHM CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)CC1 ZINC000187129841 510075707 /nfs/dbraw/zinc/07/57/07/510075707.db2.gz UNUNYADAQMGUTC-UHFFFAOYSA-N -1 3 353.422 2.621 20 10 FFCDHM Cc1ccc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c([O-])c1O ZINC000181852699 510625846 /nfs/dbraw/zinc/62/58/46/510625846.db2.gz XLVUKBNXPHJRAH-UHFFFAOYSA-N -1 3 372.396 2.534 20 10 FFCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444766 510662789 /nfs/dbraw/zinc/66/27/89/510662789.db2.gz IABDLOBLLGRAAJ-BZNIZROVSA-N -1 3 353.825 2.864 20 10 FFCDHM COc1cc(Br)cc(CN2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000246894881 510733323 /nfs/dbraw/zinc/73/33/23/510733323.db2.gz UEEDQTPQSICGEH-OCCSQVGLSA-N -1 3 374.300 2.870 20 10 FFCDHM COc1c([O-])c(CN[C@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000282288782 510915631 /nfs/dbraw/zinc/91/56/31/510915631.db2.gz LNNSRRBHCURCRK-IBGZPJMESA-N -1 3 358.394 2.623 20 10 FFCDHM C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276988424 510950688 /nfs/dbraw/zinc/95/06/88/510950688.db2.gz XCLCXJNRXQXSFB-GFCCVEGCSA-N -1 3 355.406 2.936 20 10 FFCDHM COc1c([O-])c(CNc2cccc(C[S@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278936494 511014392 /nfs/dbraw/zinc/01/43/92/511014392.db2.gz WXZHRSVMHZPQDN-DEOSSOPVSA-N -1 3 350.396 2.800 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000272338250 511490778 /nfs/dbraw/zinc/49/07/78/511490778.db2.gz XZNMNGHCFPNCKS-UHFFFAOYSA-N -1 3 350.356 2.618 20 10 FFCDHM C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000273497629 511528995 /nfs/dbraw/zinc/52/89/95/511528995.db2.gz YAFGNWBEUDRHBR-LLVKDONJSA-N -1 3 368.386 2.564 20 10 FFCDHM COc1c([O-])c(CN[C@H](c2cccnc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000293529286 511998918 /nfs/dbraw/zinc/99/89/18/511998918.db2.gz BQQGELFIZPIXDQ-QGZVFWFLSA-N -1 3 361.398 2.553 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000375999678 512609421 /nfs/dbraw/zinc/60/94/21/512609421.db2.gz LKURYGSONZKEBX-CQSZACIVSA-N -1 3 352.390 2.663 20 10 FFCDHM C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000367682944 512614353 /nfs/dbraw/zinc/61/43/53/512614353.db2.gz JAUIWYZBNJKYPJ-CPUCHLNUSA-N -1 3 366.889 2.941 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCOC1 ZINC000372043751 512690711 /nfs/dbraw/zinc/69/07/11/512690711.db2.gz YQDYKDGZCKUNCA-BBRMVZONSA-N -1 3 352.862 2.553 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000370032497 512735642 /nfs/dbraw/zinc/73/56/42/512735642.db2.gz LKNYAGDHBFALDR-BZNIZROVSA-N -1 3 372.259 2.543 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000370500171 512965931 /nfs/dbraw/zinc/96/59/31/512965931.db2.gz QMPZNWJLWKAYJW-HNNXBMFYSA-N -1 3 365.332 2.913 20 10 FFCDHM CC[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000368608454 513024670 /nfs/dbraw/zinc/02/46/70/513024670.db2.gz OVCZBSCNXYRVGS-SFHVURJKSA-N -1 3 358.461 2.919 20 10 FFCDHM COc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[O-] ZINC000529677394 517278642 /nfs/dbraw/zinc/27/86/42/517278642.db2.gz PRALTRIRWORTDF-BHVCSQLQSA-N -1 3 374.300 2.649 20 10 FFCDHM c1csc(SCCCNc2nc3c(cc2-c2nnn[n-]2)CCC3)n1 ZINC000738451074 598914814 /nfs/dbraw/zinc/91/48/14/598914814.db2.gz BNBQYXATFLRAAZ-UHFFFAOYSA-N -1 3 359.484 2.801 20 10 FFCDHM c1csc(SCCCNc2nc3c(cc2-c2nn[n-]n2)CCC3)n1 ZINC000738451074 598914816 /nfs/dbraw/zinc/91/48/16/598914816.db2.gz BNBQYXATFLRAAZ-UHFFFAOYSA-N -1 3 359.484 2.801 20 10 FFCDHM CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821109312 607305106 /nfs/dbraw/zinc/30/51/06/607305106.db2.gz HBUNJKSGPAUGJJ-UHFFFAOYSA-N -1 3 354.370 2.897 20 10 FFCDHM CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821109312 607305107 /nfs/dbraw/zinc/30/51/07/607305107.db2.gz HBUNJKSGPAUGJJ-UHFFFAOYSA-N -1 3 354.370 2.897 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736478686 598543360 /nfs/dbraw/zinc/54/33/60/598543360.db2.gz CKUXQPDDUDERSK-UHFFFAOYSA-N -1 3 366.425 2.694 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736478686 598543362 /nfs/dbraw/zinc/54/33/62/598543362.db2.gz CKUXQPDDUDERSK-UHFFFAOYSA-N -1 3 366.425 2.694 20 10 FFCDHM Cc1cc(C(=O)NCc2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236812 598609556 /nfs/dbraw/zinc/60/95/56/598609556.db2.gz SENHVGFEHKTMKC-UHFFFAOYSA-N -1 3 362.393 2.797 20 10 FFCDHM Cc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000737273749 598610985 /nfs/dbraw/zinc/61/09/85/598610985.db2.gz FXYRMIPPRVDEHR-UHFFFAOYSA-N -1 3 363.381 2.823 20 10 FFCDHM CCCN(CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1O ZINC000829464725 600852316 /nfs/dbraw/zinc/85/23/16/600852316.db2.gz NEZKIMOROWGGSK-UHFFFAOYSA-N -1 3 356.422 2.965 20 10 FFCDHM COc1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1O ZINC000826215901 609493261 /nfs/dbraw/zinc/49/32/61/609493261.db2.gz BRFJUMYTGWNELS-UHFFFAOYSA-N -1 3 355.398 2.980 20 10 FFCDHM COc1cccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1O ZINC000826215901 609493262 /nfs/dbraw/zinc/49/32/62/609493262.db2.gz BRFJUMYTGWNELS-UHFFFAOYSA-N -1 3 355.398 2.980 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1[O-] ZINC000079498226 728313706 /nfs/dbraw/zinc/31/37/06/728313706.db2.gz GOZVDGSRFFRWKJ-GOSISDBHSA-N -1 3 364.804 2.878 20 10 FFCDHM C[C@H](c1ccccc1F)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093928704 728478908 /nfs/dbraw/zinc/47/89/08/728478908.db2.gz YOSDWGRWMUTOQR-LLVKDONJSA-N -1 3 366.414 2.736 20 10 FFCDHM CCc1noc(C[C@]2(O)CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000856595269 730346586 /nfs/dbraw/zinc/34/65/86/730346586.db2.gz RWPLCBLKLMOICP-QGZVFWFLSA-N -1 3 369.824 2.700 20 10 FFCDHM CCOCc1nc([C@H](C)NCc2c([O-])cccc2Br)no1 ZINC000862370669 730693256 /nfs/dbraw/zinc/69/32/56/730693256.db2.gz PZIWGMAYJMRUBD-VIFPVBQESA-N -1 3 356.220 2.925 20 10 FFCDHM Cc1cc([O-])c(CN2CCc3c(cccc3S(N)(=O)=O)C2)cc1Cl ZINC000877761800 732425285 /nfs/dbraw/zinc/42/52/85/732425285.db2.gz PPSCHPKYWOUARX-UHFFFAOYSA-N -1 3 366.870 2.560 20 10 FFCDHM COc1c([O-])c(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823132 732441984 /nfs/dbraw/zinc/44/19/84/732441984.db2.gz VCRJITZBQONDFQ-BXKDBHETSA-N -1 3 364.320 2.851 20 10 FFCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000882967550 733316249 /nfs/dbraw/zinc/31/62/49/733316249.db2.gz KPKKQYQKCPSHMF-LLVKDONJSA-N -1 3 370.421 2.772 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887895872 733989910 /nfs/dbraw/zinc/98/99/10/733989910.db2.gz OPHMZQVYTBEDTM-SECBINFHSA-N -1 3 353.300 2.536 20 10 FFCDHM COC(=O)CN(Cc1cn(C)nc1C1CC1)Cc1cc(Cl)ccc1[O-] ZINC000891991607 734504689 /nfs/dbraw/zinc/50/46/89/734504689.db2.gz DPBWREJVXQOCLO-UHFFFAOYSA-N -1 3 363.845 2.832 20 10 FFCDHM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(Br)cc1[O-] ZINC000895863236 735066380 /nfs/dbraw/zinc/06/63/80/735066380.db2.gz JPXRVLLMGUXTGV-UONOGXRCSA-N -1 3 372.259 2.745 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn(C)nc2Br)c1 ZINC000903188493 736051742 /nfs/dbraw/zinc/05/17/42/736051742.db2.gz RSWLZFHKWHKFKQ-SECBINFHSA-N -1 3 368.231 2.526 20 10 FFCDHM CCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1 ZINC000762767263 736865616 /nfs/dbraw/zinc/86/56/16/736865616.db2.gz HFZGLELFULEWKI-UHFFFAOYSA-N -1 3 354.472 2.854 20 10 FFCDHM CCN(Cc1ccc(C)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769671310 737552617 /nfs/dbraw/zinc/55/26/17/737552617.db2.gz BPMGUFJBZBOUCY-UHFFFAOYSA-N -1 3 362.451 2.734 20 10 FFCDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Br)ccc1[O-] ZINC000770356101 737618714 /nfs/dbraw/zinc/61/87/14/737618714.db2.gz SHUSHPRIIUQTIG-CYBMUJFWSA-N -1 3 360.248 2.553 20 10 FFCDHM O=S1(=O)CCc2cc(CNCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC000776251307 738174600 /nfs/dbraw/zinc/17/46/00/738174600.db2.gz VXGWZDYRERIYBT-UHFFFAOYSA-N -1 3 355.818 2.804 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000790416124 739450767 /nfs/dbraw/zinc/45/07/67/739450767.db2.gz RHMPGMLZYSDTBD-WDZFZDKYSA-N -1 3 361.419 2.942 20 10 FFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000790416129 739450956 /nfs/dbraw/zinc/45/09/56/739450956.db2.gz RLSVYMXUCMIUIO-UHFFFAOYSA-N -1 3 353.371 2.681 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cnc(Cl)c(F)c1 ZINC000791422805 739562481 /nfs/dbraw/zinc/56/24/81/739562481.db2.gz IHAIJBPCVMGNTA-UHFFFAOYSA-N -1 3 369.849 2.953 20 10 FFCDHM Cc1ccnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000792238338 739654178 /nfs/dbraw/zinc/65/41/78/739654178.db2.gz QCQMYBIXUXQILV-OAHLLOKOSA-N -1 3 360.845 2.538 20 10 FFCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793365337 739774458 /nfs/dbraw/zinc/77/44/58/739774458.db2.gz KMEGGSPLBJWGRC-MRXNPFEDSA-N -1 3 356.260 2.925 20 10 FFCDHM O=C(NCc1cc(Br)ccc1O)c1cc(=O)c2ccccc2[n-]1 ZINC000804734028 740900746 /nfs/dbraw/zinc/90/07/46/740900746.db2.gz ACDQKBSSVZDVKW-UHFFFAOYSA-N -1 3 373.206 2.926 20 10 FFCDHM CN1CCN(c2ccc(NCc3cc(Cl)cc(F)c3[O-])cn2)CC1 ZINC000817405373 742138523 /nfs/dbraw/zinc/13/85/23/742138523.db2.gz DDVHJGDZDRXGJD-UHFFFAOYSA-N -1 3 350.825 2.944 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881473 742220620 /nfs/dbraw/zinc/22/06/20/742220620.db2.gz UONFTXXCQGCPKA-UWVGGRQHSA-N -1 3 358.232 2.848 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881473 742220623 /nfs/dbraw/zinc/22/06/23/742220623.db2.gz UONFTXXCQGCPKA-UWVGGRQHSA-N -1 3 358.232 2.848 20 10 FFCDHM CC(C)(CN1CCOCC1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000822949228 742808106 /nfs/dbraw/zinc/80/81/06/742808106.db2.gz GCMNGTDKCMVTSC-UHFFFAOYSA-N -1 3 361.269 2.674 20 10 FFCDHM CN(C)S(=O)(=O)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000824738353 743139670 /nfs/dbraw/zinc/13/96/70/743139670.db2.gz LYCAXAKTNGSLBZ-UHFFFAOYSA-N -1 3 372.849 2.725 20 10 FFCDHM CN(CC(=O)NCc1cccs1)Cc1ccc(Br)cc1[O-] ZINC000824806863 743152425 /nfs/dbraw/zinc/15/24/25/743152425.db2.gz AFSFMQHPBUYHCA-UHFFFAOYSA-N -1 3 369.284 2.964 20 10 FFCDHM CCOc1ccc(O)c(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000827851356 744990751 /nfs/dbraw/zinc/99/07/51/744990751.db2.gz SZPBPWZENTZJEY-RISCZKNCSA-N -1 3 360.376 2.680 20 10 FFCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000840915990 747223944 /nfs/dbraw/zinc/22/39/44/747223944.db2.gz VEULMZYWXDHNIL-UHFFFAOYSA-N -1 3 351.424 2.965 20 10 FFCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000840918735 747225471 /nfs/dbraw/zinc/22/54/71/747225471.db2.gz XIHOIMGSBOWERV-UHFFFAOYSA-N -1 3 373.377 2.983 20 10 FFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@@H](C2CCC2)C1 ZINC000840956239 747242498 /nfs/dbraw/zinc/24/24/98/747242498.db2.gz MKDVFOWLBOIMEY-CQSZACIVSA-N -1 3 374.300 2.554 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](CN3CCCC3=O)C2)c1[O-] ZINC000852680866 749923455 /nfs/dbraw/zinc/92/34/55/749923455.db2.gz BBVDNLQQYXPKSA-CYBMUJFWSA-N -1 3 350.846 2.693 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000298172755 971726474 /nfs/dbraw/zinc/72/64/74/971726474.db2.gz CZKMGVLHONBRPL-IBGZPJMESA-N -1 3 362.426 2.713 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC001593708832 954167728 /nfs/dbraw/zinc/16/77/28/954167728.db2.gz FQUBDSHVFFEMJB-SFHVURJKSA-N -1 3 370.453 2.875 20 10 FFCDHM CCCCN1C[C@@]2(F)CN(Cc3ccc(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001275892607 1013148274 /nfs/dbraw/zinc/14/82/74/1013148274.db2.gz GKQHWXDMSGHSQC-DLBZAZTESA-N -1 3 358.816 2.920 20 10 FFCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1ccccc1C ZINC000898729119 976648257 /nfs/dbraw/zinc/64/82/57/976648257.db2.gz DANMLEHKWXCNIC-INIZCTEOSA-N -1 3 352.438 2.644 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC000055195145 984327195 /nfs/dbraw/zinc/32/71/95/984327195.db2.gz GLPAXTQYILRHLA-CQSZACIVSA-N -1 3 374.462 2.614 20 10 FFCDHM O=C(NCc1cccc(N2CCCC2=O)c1)NCc1c([O-])cccc1F ZINC000914119173 987208612 /nfs/dbraw/zinc/20/86/12/987208612.db2.gz GCSHXLKZNQTSRF-UHFFFAOYSA-N -1 3 357.385 2.658 20 10 FFCDHM Cc1nc(C)c(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)[n-]1 ZINC000915260308 988356358 /nfs/dbraw/zinc/35/63/58/988356358.db2.gz MHLIHNCSXCBBKC-UHFFFAOYSA-N -1 3 354.454 2.599 20 10 FFCDHM CCc1ccc([O-])c(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000187126971 990993910 /nfs/dbraw/zinc/99/39/10/990993910.db2.gz BJNWXSWKAWCWSO-UHFFFAOYSA-N -1 3 367.449 2.875 20 10 FFCDHM O=C1COc2c(ccnc2NCc2cc(Cl)c3cccnc3c2[O-])N1 ZINC001168527813 993245674 /nfs/dbraw/zinc/24/56/74/993245674.db2.gz LLOLHBITMHHUFH-UHFFFAOYSA-N -1 3 356.769 2.932 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2COC(=O)NC2CC2)c1[O-] ZINC000810036401 994683255 /nfs/dbraw/zinc/68/32/55/994683255.db2.gz DPQIGCFJZDRETK-INIZCTEOSA-N -1 3 364.417 2.977 20 10 FFCDHM O=c1ccc2c([nH]1)CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144306715 998301565 /nfs/dbraw/zinc/30/15/65/998301565.db2.gz NCWRYLZSUXWFKT-UHFFFAOYSA-N -1 3 367.218 2.995 20 10 FFCDHM CC(=O)NC[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000735485309 999430404 /nfs/dbraw/zinc/43/04/04/999430404.db2.gz FZTWODRKDSREAG-HNNXBMFYSA-N -1 3 354.406 2.629 20 10 FFCDHM CC(C)(C)OC(=O)NCc1cncc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148212177 1001067681 /nfs/dbraw/zinc/06/76/81/1001067681.db2.gz PTBMQGDMSOTYKM-UHFFFAOYSA-N -1 3 359.382 2.770 20 10 FFCDHM NC(=O)c1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001148550764 1001167783 /nfs/dbraw/zinc/16/77/83/1001167783.db2.gz GVTNIMLQYNWQJF-UHFFFAOYSA-N -1 3 355.781 2.623 20 10 FFCDHM COCCC1(CNC(=O)c2cc(O)c([O-])c(O)c2)CCC(F)(F)CC1 ZINC001148591253 1001177549 /nfs/dbraw/zinc/17/75/49/1001177549.db2.gz WBIUGQSRKFTIFB-UHFFFAOYSA-N -1 3 359.369 2.765 20 10 FFCDHM CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001276192773 1016506543 /nfs/dbraw/zinc/50/65/43/1016506543.db2.gz SCWDUUQTSILJAY-BFUOFWGJSA-N -1 3 368.424 2.520 20 10 FFCDHM O=C(Nc1cccnc1)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790779504 1002486521 /nfs/dbraw/zinc/48/65/21/1002486521.db2.gz NOAPYMMXFFYTKZ-UHFFFAOYSA-N -1 3 363.373 2.675 20 10 FFCDHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000790887750 1002507733 /nfs/dbraw/zinc/50/77/33/1002507733.db2.gz MPTRSVWVLYPFKU-OCCSQVGLSA-N -1 3 364.442 2.863 20 10 FFCDHM O=C(c1cc(O)c([O-])c(Cl)c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001193603600 1004537042 /nfs/dbraw/zinc/53/70/42/1004537042.db2.gz OZYJEUSGUNHGDR-JKSUJKDBSA-N -1 3 373.840 2.635 20 10 FFCDHM CCNC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC000776356851 1005405428 /nfs/dbraw/zinc/40/54/28/1005405428.db2.gz FPZQERHTDMOXOA-UHFFFAOYSA-N -1 3 351.362 2.648 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000857416695 1008141828 /nfs/dbraw/zinc/14/18/28/1008141828.db2.gz VPXUDSSLXPZWPR-CWTRNNRKSA-N -1 3 362.426 2.617 20 10 FFCDHM O=C(Cc1cncc(Cl)n1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177233758 1008533858 /nfs/dbraw/zinc/53/38/58/1008533858.db2.gz ORQWZNYTZOLAOM-UHFFFAOYSA-N -1 3 363.204 2.896 20 10 FFCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cccc1C(=O)N1CCSCC1 ZINC001136565230 1008552154 /nfs/dbraw/zinc/55/21/54/1008552154.db2.gz LCXPXELWECYZJF-UHFFFAOYSA-N -1 3 372.446 2.848 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C(C)(C)C1 ZINC000801514315 1019061815 /nfs/dbraw/zinc/06/18/15/1019061815.db2.gz YPJBQEPSURKFAL-CQSZACIVSA-N -1 3 364.442 2.863 20 10 FFCDHM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1c([O-])cccc1F ZINC000928710456 1019083333 /nfs/dbraw/zinc/08/33/33/1019083333.db2.gz SOELSJWROWSDIZ-UHFFFAOYSA-N -1 3 373.380 2.972 20 10 FFCDHM COC(=O)CN(CCc1ccccc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000777748620 1019272689 /nfs/dbraw/zinc/27/26/89/1019272689.db2.gz WAZSJFQQAMZNHK-UHFFFAOYSA-N -1 3 359.397 2.952 20 10 FFCDHM O=c1ccccn1C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000800313029 1020208223 /nfs/dbraw/zinc/20/82/23/1020208223.db2.gz AIMBALBMRSRXRE-GOSISDBHSA-N -1 3 365.389 2.993 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCNCC3(F)F)cccc21 ZINC001218008011 1032948911 /nfs/dbraw/zinc/94/89/11/1032948911.db2.gz UIAOCRQDRVWJFM-AWEZNQCLSA-N -1 3 359.328 2.544 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(C(F)F)c2)c1 ZINC001116714197 1021372058 /nfs/dbraw/zinc/37/20/58/1021372058.db2.gz YRXZSWWUKQERDZ-UHFFFAOYSA-N -1 3 370.377 2.631 20 10 FFCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(O)c2[O-])cc1 ZINC000188323102 1023055141 /nfs/dbraw/zinc/05/51/41/1023055141.db2.gz ZRRQYBGBOQFHSF-KRWDZBQOSA-N -1 3 370.449 2.985 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001120974545 1023551837 /nfs/dbraw/zinc/55/18/37/1023551837.db2.gz WDAMYJWYXAXBQY-UHFFFAOYSA-N -1 3 371.412 2.777 20 10 FFCDHM COc1cc(OC[C@H]2C[C@H](O)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001218424896 1033148961 /nfs/dbraw/zinc/14/89/61/1033148961.db2.gz ADHUNJWVOGQLEF-HAQNSBGRSA-N -1 3 368.385 2.634 20 10 FFCDHM Cc1ccc(C2N=NC(=S)N2CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001156164106 1029070343 /nfs/dbraw/zinc/07/03/43/1029070343.db2.gz MWSAUNBNOJMJAO-UHFFFAOYSA-N -1 3 372.425 2.703 20 10 FFCDHM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)CC1 ZINC000781268458 1029115276 /nfs/dbraw/zinc/11/52/76/1029115276.db2.gz JKHKCSMWEGFHAE-UHFFFAOYSA-N -1 3 367.449 2.930 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nccc2c[nH]nc21 ZINC001156490322 1029216755 /nfs/dbraw/zinc/21/67/55/1029216755.db2.gz HHYCMQIGSZUQCG-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM O=C1NCN(c2ccccc2)C12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142501794 1030548128 /nfs/dbraw/zinc/54/81/28/1030548128.db2.gz ACXMWTXEMCHJCF-UHFFFAOYSA-N -1 3 373.403 2.599 20 10 FFCDHM CN(C)C(=O)N1CCCC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517573 1030566111 /nfs/dbraw/zinc/56/61/11/1030566111.db2.gz SBEGNOUXTDVPMZ-UHFFFAOYSA-N -1 3 353.413 2.782 20 10 FFCDHM COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203656787 1030809299 /nfs/dbraw/zinc/80/92/99/1030809299.db2.gz XSUPYSMRMCUXPQ-INIZCTEOSA-N -1 3 362.861 2.793 20 10 FFCDHM O=C(c1ccco1)N1CCC[C@@]2(CN(Cc3cc(F)ccc3[O-])CCO2)C1 ZINC001140055520 1035324544 /nfs/dbraw/zinc/32/45/44/1035324544.db2.gz JGPUZFGCPONSSS-HXUWFJFHSA-N -1 3 374.412 2.632 20 10 FFCDHM COC[C@@H]1CN(Cc2c([O-])cccc2Br)Cc2cn(C)nc21 ZINC001140100504 1035341456 /nfs/dbraw/zinc/34/14/56/1035341456.db2.gz RSWFHPWSHZYOMB-LBPRGKRZSA-N -1 3 366.259 2.634 20 10 FFCDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC001140102533 1035342984 /nfs/dbraw/zinc/34/29/84/1035342984.db2.gz RDCYDEAZEJYMGF-LBPRGKRZSA-N -1 3 370.291 2.827 20 10 FFCDHM CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC001140142529 1035357552 /nfs/dbraw/zinc/35/75/52/1035357552.db2.gz VEFMGIXVMIMKOL-CYBMUJFWSA-N -1 3 350.415 2.571 20 10 FFCDHM CC(C)(C)OC(=O)NCCN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462993 1035484477 /nfs/dbraw/zinc/48/44/77/1035484477.db2.gz RHFQLRQYKCSESZ-UHFFFAOYSA-N -1 3 369.893 2.688 20 10 FFCDHM COC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])Cc2cn(C)nc21 ZINC001232267679 1035538015 /nfs/dbraw/zinc/53/80/15/1035538015.db2.gz HVWKSXAICGYUIY-ZDUSSCGKSA-N -1 3 351.834 2.534 20 10 FFCDHM CN1[C@@H]2C[C@H](Oc3c(O)c([O-])ccc3C(=O)c3ccccc3)[C@H]1CC(=O)C2 ZINC001227937353 1035822718 /nfs/dbraw/zinc/82/27/18/1035822718.db2.gz ITAPQYGEIZAQQN-XCRHUMRWSA-N -1 3 367.401 2.512 20 10 FFCDHM O=C1NCCCC12CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001233031351 1036272449 /nfs/dbraw/zinc/27/24/49/1036272449.db2.gz CCJPYHVPHFNNLT-UHFFFAOYSA-N -1 3 371.250 2.786 20 10 FFCDHM COC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2ncn(C)c21 ZINC001233452659 1036634620 /nfs/dbraw/zinc/63/46/20/1036634620.db2.gz GCXNXVIGKRQZKM-GFCCVEGCSA-N -1 3 355.360 2.890 20 10 FFCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234553123 1037081696 /nfs/dbraw/zinc/08/16/96/1037081696.db2.gz VRPXIBDNWDMELX-IBGZPJMESA-N -1 3 357.406 2.651 20 10 FFCDHM CCCOC(=O)[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749421 1037166668 /nfs/dbraw/zinc/16/66/68/1037166668.db2.gz SKGBOWADMRYBTI-SECBINFHSA-N -1 3 374.345 2.784 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@](F)(CO)CC1 ZINC001235057743 1037329763 /nfs/dbraw/zinc/32/97/63/1037329763.db2.gz RUQPULJYQDBYTR-CQSZACIVSA-N -1 3 350.203 2.980 20 10 FFCDHM CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231447403 1037585400 /nfs/dbraw/zinc/58/54/00/1037585400.db2.gz SMZXCOUYKOKHLE-UHFFFAOYSA-N -1 3 350.415 2.580 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451891 1037593100 /nfs/dbraw/zinc/59/31/00/1037593100.db2.gz YEBXUWSWUIJNQR-ZBFHGGJFSA-N -1 3 373.478 2.643 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001231451891 1037593117 /nfs/dbraw/zinc/59/31/17/1037593117.db2.gz YEBXUWSWUIJNQR-ZBFHGGJFSA-N -1 3 373.478 2.643 20 10 FFCDHM C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231559326 1037682656 /nfs/dbraw/zinc/68/26/56/1037682656.db2.gz AQGPQFBEZRLAID-CQSZACIVSA-N -1 3 358.413 2.936 20 10 FFCDHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC001231560352 1037683942 /nfs/dbraw/zinc/68/39/42/1037683942.db2.gz HLPXJIYIQMUVNL-IUODEOHRSA-N -1 3 364.442 2.826 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001231566775 1037691888 /nfs/dbraw/zinc/69/18/88/1037691888.db2.gz QYKLKEMDXXPQKR-OAHLLOKOSA-N -1 3 372.396 2.624 20 10 FFCDHM Cc1cc([O-])c(CN2CCCn3nnc(Cn4ccnc4)c3C2)cc1Cl ZINC001231866038 1037962650 /nfs/dbraw/zinc/96/26/50/1037962650.db2.gz BTRCNNKKIPCDNU-UHFFFAOYSA-N -1 3 372.860 2.596 20 10 FFCDHM CCOC(=O)[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCS1 ZINC001236670569 1038183008 /nfs/dbraw/zinc/18/30/08/1038183008.db2.gz MNIXBGDLKSHLPO-ZDUSSCGKSA-N -1 3 374.300 2.944 20 10 FFCDHM COc1ccnc(O[C@@H]2CCN(Cc3ccc(OC)c(Cl)c3[O-])C2)n1 ZINC001236818472 1038290635 /nfs/dbraw/zinc/29/06/35/1038290635.db2.gz NBRHYMMFEZOGKF-GFCCVEGCSA-N -1 3 365.817 2.506 20 10 FFCDHM CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(Cl)c2Cl)O1 ZINC001237079298 1038438398 /nfs/dbraw/zinc/43/83/98/1038438398.db2.gz AJKPTEIMUPFWIN-YUELXQCFSA-N -1 3 373.280 2.955 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605682 1038620776 /nfs/dbraw/zinc/62/07/76/1038620776.db2.gz NKVYAYVNEGSLAE-XOBRGWDASA-N -1 3 360.454 2.846 20 10 FFCDHM CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605682 1038620778 /nfs/dbraw/zinc/62/07/78/1038620778.db2.gz NKVYAYVNEGSLAE-XOBRGWDASA-N -1 3 360.454 2.846 20 10 FFCDHM CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605980 1038623484 /nfs/dbraw/zinc/62/34/84/1038623484.db2.gz RYKUIIFQMJYTTK-HXUWFJFHSA-N -1 3 360.454 2.848 20 10 FFCDHM CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605980 1038623486 /nfs/dbraw/zinc/62/34/86/1038623486.db2.gz RYKUIIFQMJYTTK-HXUWFJFHSA-N -1 3 360.454 2.848 20 10 FFCDHM COc1ccc(CN2CCC3(CC3)C2)c([O-])c1I ZINC001248482233 1040297307 /nfs/dbraw/zinc/29/73/07/1040297307.db2.gz VWZJGRJEKAGNCX-UHFFFAOYSA-N -1 3 359.207 2.991 20 10 FFCDHM Cc1cc(Br)cnc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215327747 1041740366 /nfs/dbraw/zinc/74/03/66/1041740366.db2.gz QSLYUEMYANNLAB-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM O=C(Cc1ccsc1)N1CCC2(CN(Cc3c([O-])cccc3F)C2)C1 ZINC001279421402 1043093258 /nfs/dbraw/zinc/09/32/58/1043093258.db2.gz HINORYUSKOSBGH-UHFFFAOYSA-N -1 3 360.454 2.870 20 10 FFCDHM CCn1ccnc1CN1C[C@@H]2CCN(Cc3c([O-])ccc(F)c3F)[C@@H]2C1 ZINC001279488225 1043173462 /nfs/dbraw/zinc/17/34/62/1043173462.db2.gz GOSXBLBKQQHFLR-XJKSGUPXSA-N -1 3 362.424 2.593 20 10 FFCDHM COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2cccc(F)c2[O-])CCC1 ZINC001279525654 1043223939 /nfs/dbraw/zinc/22/39/39/1043223939.db2.gz URIWAPZNZVAJNU-IYBDPMFKSA-N -1 3 362.445 2.666 20 10 FFCDHM COC(=O)CC[C@@H]1COCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237685191 1043311245 /nfs/dbraw/zinc/31/12/45/1043311245.db2.gz OWUNPBJOAATWCR-CYBMUJFWSA-N -1 3 372.259 2.617 20 10 FFCDHM Cn1cc(Br)c(C(=O)[N-]c2c3nonc3ccc2Cl)n1 ZINC001539053903 1070549728 /nfs/dbraw/zinc/54/97/28/1070549728.db2.gz DYYJXHAWZBVBJB-UHFFFAOYSA-N -1 3 356.567 2.625 20 10 FFCDHM NC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001280110574 1044226033 /nfs/dbraw/zinc/22/60/33/1044226033.db2.gz ZBNPJEGHLCXVGB-LLVKDONJSA-N -1 3 373.678 2.896 20 10 FFCDHM CCN(C(=O)c1cn2c(n1)CN(Cc1cc(F)ccc1[O-])CC2)C(C)C ZINC001280293380 1044561699 /nfs/dbraw/zinc/56/16/99/1044561699.db2.gz KAMMJCQRLICUNM-UHFFFAOYSA-N -1 3 360.433 2.614 20 10 FFCDHM Cc1cc(CC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C)n1-c1ccccc1 ZINC001294367433 1049735772 /nfs/dbraw/zinc/73/57/72/1049735772.db2.gz QCOITZRCQKONSX-UHFFFAOYSA-N -1 3 352.394 2.785 20 10 FFCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001296246067 1050041224 /nfs/dbraw/zinc/04/12/24/1050041224.db2.gz JYBHMJPXAMBXOR-SECBINFHSA-N -1 3 374.343 2.579 20 10 FFCDHM [O-]c1c2cccnc2sc1-c1nnc(N2CCOCC2)n1CC1CC1 ZINC001345903959 1052663967 /nfs/dbraw/zinc/66/39/67/1052663967.db2.gz LTUXOGSXJIQLFF-UHFFFAOYSA-N -1 3 357.439 2.507 20 10 FFCDHM COc1ccc(C2CC2)c(NC(=O)C(=O)NCc2c([O-])cccc2F)c1 ZINC001337064967 1054452879 /nfs/dbraw/zinc/45/28/79/1054452879.db2.gz RYOXNTWRDSFVOG-UHFFFAOYSA-N -1 3 358.369 2.672 20 10 FFCDHM C[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC(C)(C)O1 ZINC001338588675 1055647812 /nfs/dbraw/zinc/64/78/12/1055647812.db2.gz MJLBCFIKIMVNPA-JTQLQIEISA-N -1 3 359.455 2.801 20 10 FFCDHM CCN(c1nnc(-c2sc3ncccc3c2[O-])n1C)[C@H]1CCCOC1 ZINC001351383919 1056236341 /nfs/dbraw/zinc/23/63/41/1056236341.db2.gz RMCDUXZWYMIIJQ-NSHDSACASA-N -1 3 359.455 2.803 20 10 FFCDHM CC(=O)C1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001339380764 1056397999 /nfs/dbraw/zinc/39/79/99/1056397999.db2.gz GIVBOXZYWDPYND-UHFFFAOYSA-N -1 3 357.439 2.603 20 10 FFCDHM COc1cc(NC(=S)NCc2ncccc2[O-])c(OC)cc1Cl ZINC001200546468 1058529041 /nfs/dbraw/zinc/52/90/41/1058529041.db2.gz DXNDDYAYNXVCNA-UHFFFAOYSA-N -1 3 353.831 2.944 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)c2c([O-])cc(F)cc2F)N(C)C)cc1 ZINC001472631036 1058919926 /nfs/dbraw/zinc/91/99/26/1058919926.db2.gz SOMYOCDPSSTFMQ-INIZCTEOSA-N -1 3 363.408 2.769 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)c1cc(F)ccc1OC(F)F ZINC001464596854 1062705673 /nfs/dbraw/zinc/70/56/73/1062705673.db2.gz MDZCYNGQVSUZGC-UHFFFAOYSA-N -1 3 365.304 2.750 20 10 FFCDHM C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575297159 1078127056 /nfs/dbraw/zinc/12/70/56/1078127056.db2.gz FNCKKRRBLMBWMR-SNVBAGLBSA-N -1 3 372.816 2.786 20 10 FFCDHM C[C@@H](Nc1ncc(Br)cc1-c1nnn[n-]1)c1ccccc1O ZINC001580309061 1078784434 /nfs/dbraw/zinc/78/44/34/1078784434.db2.gz XKKRPYPEQOYHFY-MRVPVSSYSA-N -1 3 361.203 2.903 20 10 FFCDHM C[C@@H](Nc1ncc(Br)cc1-c1nn[n-]n1)c1ccccc1O ZINC001580309061 1078784442 /nfs/dbraw/zinc/78/44/42/1078784442.db2.gz XKKRPYPEQOYHFY-MRVPVSSYSA-N -1 3 361.203 2.903 20 10 FFCDHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001585158947 1079432979 /nfs/dbraw/zinc/43/29/79/1079432979.db2.gz YIKIMVVOKQGPAG-INIZCTEOSA-N -1 3 372.856 2.989 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1cc([N+](=O)[O-])ncc1Br ZINC001559037320 1076119041 /nfs/dbraw/zinc/11/90/41/1076119041.db2.gz RKWLGEUUPARJQA-UHFFFAOYSA-N -1 3 370.134 2.527 20 10 FFCDHM COC(=O)c1c(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c2cc(F)ccc2n1C ZINC001574082003 1077891817 /nfs/dbraw/zinc/89/18/17/1077891817.db2.gz SZCNEVXJANLKHE-NWDGAFQWSA-N -1 3 362.401 2.647 20 10 FFCDHM O=C(NCc1ccco1)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001587882768 1079884940 /nfs/dbraw/zinc/88/49/40/1079884940.db2.gz RBVDJMNNUWVULZ-UHFFFAOYSA-N -1 3 352.346 2.873 20 10 FFCDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Br)cc(C)c1[O-] ZINC000359995313 210205515 /nfs/dbraw/zinc/20/55/15/210205515.db2.gz CVVZSURYGSISHW-KGLIPLIRSA-N -1 3 372.259 2.616 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)c3ccc(OC)cc3[O-])CC2)cc1 ZINC000055877330 506874873 /nfs/dbraw/zinc/87/48/73/506874873.db2.gz PXLLOHXCLNYNDT-UHFFFAOYSA-N -1 3 356.422 2.762 20 10 FFCDHM COC(=O)CN(Cc1nc(C(C)(C)C)no1)Cc1cc(Cl)ccc1[O-] ZINC000109779620 507986310 /nfs/dbraw/zinc/98/63/10/507986310.db2.gz WJKPRWBREUSCGU-UHFFFAOYSA-N -1 3 367.833 2.901 20 10 FFCDHM COc1ccc(CN(C)C(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000111236052 508080971 /nfs/dbraw/zinc/08/09/71/508080971.db2.gz IDHDWZNFWROYCO-HNNXBMFYSA-N -1 3 372.465 2.888 20 10 FFCDHM O=C1[C@H](N(Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1CC(F)(F)F ZINC000111233017 508081089 /nfs/dbraw/zinc/08/10/89/508081089.db2.gz RUNUBPYZAVVBQB-HUUCEWRRSA-N -1 3 372.387 2.536 20 10 FFCDHM C[C@@H](CS(C)(=O)=O)N(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000093391657 508143317 /nfs/dbraw/zinc/14/33/17/508143317.db2.gz VBOIPVYTJUXDCF-JTQLQIEISA-N -1 3 362.289 2.552 20 10 FFCDHM CCN(Cc1cc(=O)c(O)co1)Cc1cc(Br)ccc1[O-] ZINC000076118528 508160859 /nfs/dbraw/zinc/16/08/59/508160859.db2.gz WRXJEXNHQJGSCX-UHFFFAOYSA-N -1 3 354.200 2.836 20 10 FFCDHM O=C(Cc1cccnc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134260727 508513893 /nfs/dbraw/zinc/51/38/93/508513893.db2.gz HMORGLQMLQONLQ-QGZVFWFLSA-N -1 3 359.857 2.764 20 10 FFCDHM Nc1nccc([C@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)n1 ZINC000377691174 512400982 /nfs/dbraw/zinc/40/09/82/512400982.db2.gz HJTSXNKFCNMWJC-NSHDSACASA-N -1 3 363.259 2.737 20 10 FFCDHM NC(=O)c1cc(OC2CCN(Cc3cc(Cl)ccc3[O-])CC2)ccn1 ZINC000377703633 512409949 /nfs/dbraw/zinc/40/99/49/512409949.db2.gz VNESYFXWZMQAAP-UHFFFAOYSA-N -1 3 361.829 2.583 20 10 FFCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2C[C@@H]1C ZINC000151877363 509102170 /nfs/dbraw/zinc/10/21/70/509102170.db2.gz BGZCSYLMNPQGNW-LBPRGKRZSA-N -1 3 360.435 2.799 20 10 FFCDHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000176530211 509566776 /nfs/dbraw/zinc/56/67/76/509566776.db2.gz ZXVUUTFPSZBBML-CZUORRHYSA-N -1 3 374.462 2.782 20 10 FFCDHM C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000186403350 509691574 /nfs/dbraw/zinc/69/15/74/509691574.db2.gz OPRBJSLZUNMWJJ-CQSZACIVSA-N -1 3 373.428 2.975 20 10 FFCDHM O=C(c1cccc(CNCc2c([O-])cccc2Cl)c1)N1CCOCC1 ZINC000264963849 509801126 /nfs/dbraw/zinc/80/11/26/509801126.db2.gz PBATZAOULOOOGT-UHFFFAOYSA-N -1 3 360.841 2.808 20 10 FFCDHM COC(=O)CN(Cc1ccn(C(C)C)n1)Cc1cc(Cl)ccc1[O-] ZINC000265314766 509985317 /nfs/dbraw/zinc/98/53/17/509985317.db2.gz GEMVGITYNNTXSG-UHFFFAOYSA-N -1 3 351.834 2.998 20 10 FFCDHM Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([O-])c1O ZINC000177666212 510189559 /nfs/dbraw/zinc/18/95/59/510189559.db2.gz VKJXXCZGJZNHPH-AWEZNQCLSA-N -1 3 370.453 2.744 20 10 FFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCO[C@]2(CCOC2)C1 ZINC000187548922 510326619 /nfs/dbraw/zinc/32/66/19/510326619.db2.gz RXTYQXHFPQEYCU-OAQYLSRUSA-N -1 3 355.434 2.963 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000175676746 510728650 /nfs/dbraw/zinc/72/86/50/510728650.db2.gz VLYSGVXVVDMYMC-ZDUSSCGKSA-N -1 3 358.417 2.651 20 10 FFCDHM CC[C@@H](N[C@H](C(N)=O)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000297428709 510942119 /nfs/dbraw/zinc/94/21/19/510942119.db2.gz VDBLPHQDMBGLBN-DOMZBBRYSA-N -1 3 364.243 2.817 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCCc2c[nH]nc21 ZINC000277246681 510957313 /nfs/dbraw/zinc/95/73/13/510957313.db2.gz HQZOHDJLVMDFSU-ZDUSSCGKSA-N -1 3 360.801 2.611 20 10 FFCDHM CC1(C)[C@@H]2OCC[C@H]2[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277447242 510963049 /nfs/dbraw/zinc/96/30/49/510963049.db2.gz RBONQDQGZRPNNU-APHBMKBZSA-N -1 3 364.829 2.623 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000289780370 511114799 /nfs/dbraw/zinc/11/47/99/511114799.db2.gz ROOPFKYHARKYTP-AWEZNQCLSA-N -1 3 364.320 2.588 20 10 FFCDHM CC(C)N(Cc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271220971 511126418 /nfs/dbraw/zinc/12/64/18/511126418.db2.gz GCHKSOSZEQCTGN-UHFFFAOYSA-N -1 3 368.480 2.876 20 10 FFCDHM COC(=O)c1cccc(NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000279693303 511179614 /nfs/dbraw/zinc/17/96/14/511179614.db2.gz BWTDZEPYFOFHBP-UHFFFAOYSA-N -1 3 370.405 2.601 20 10 FFCDHM Cc1cc(Br)cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000279740306 511196606 /nfs/dbraw/zinc/19/66/06/511196606.db2.gz XGLLXFQJVQTQMQ-WBMJQRKESA-N -1 3 356.260 2.843 20 10 FFCDHM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000365018478 511208976 /nfs/dbraw/zinc/20/89/76/511208976.db2.gz OQVZPLFKJWQBCJ-CQSZACIVSA-N -1 3 369.421 2.601 20 10 FFCDHM C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454169 511526136 /nfs/dbraw/zinc/52/61/36/511526136.db2.gz GTRQYOLDWDGMNW-CABZTGNLSA-N -1 3 361.320 2.504 20 10 FFCDHM COc1c([O-])c(CNCc2ccc(-n3ccnc3)c(F)c2)ccc1[N+](=O)[O-] ZINC000365804896 511662033 /nfs/dbraw/zinc/66/20/33/511662033.db2.gz HLSJMUDZPNEOMO-UHFFFAOYSA-N -1 3 372.356 2.924 20 10 FFCDHM Cc1cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n2ncnc2n1 ZINC000301172184 511689539 /nfs/dbraw/zinc/68/95/39/511689539.db2.gz GQVPYPTTWJMFMT-OAHLLOKOSA-N -1 3 372.860 2.868 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000274966714 512001213 /nfs/dbraw/zinc/00/12/13/512001213.db2.gz JWNGGOYCWYRRFK-LBPRGKRZSA-N -1 3 350.415 2.617 20 10 FFCDHM CC(C)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000293539287 512002899 /nfs/dbraw/zinc/00/28/99/512002899.db2.gz FSXGZNLVWHVHLI-LBPRGKRZSA-N -1 3 366.784 2.840 20 10 FFCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000371846344 512601122 /nfs/dbraw/zinc/60/11/22/512601122.db2.gz NRCQOFPZEDXZTE-CQSZACIVSA-N -1 3 351.834 2.968 20 10 FFCDHM COc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[O-] ZINC000529677392 517278887 /nfs/dbraw/zinc/27/88/87/517278887.db2.gz PRALTRIRWORTDF-RRMDADRESA-N -1 3 374.300 2.649 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)Nc3nc[n-]c3C(=O)OC)ccc21 ZINC000515864920 517499077 /nfs/dbraw/zinc/49/90/77/517499077.db2.gz QZQBXCBWFGPPPC-UHFFFAOYSA-N -1 3 370.409 2.667 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)Nc3[n-]cnc3C(=O)OC)ccc21 ZINC000515864920 517499082 /nfs/dbraw/zinc/49/90/82/517499082.db2.gz QZQBXCBWFGPPPC-UHFFFAOYSA-N -1 3 370.409 2.667 20 10 FFCDHM Cc1cc(C(=O)NC2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233276 598609304 /nfs/dbraw/zinc/60/93/04/598609304.db2.gz ACSZLUHDCWTATR-UHFFFAOYSA-N -1 3 350.426 2.947 20 10 FFCDHM Cc1cc(C(=O)NCc2ccccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236581 598609469 /nfs/dbraw/zinc/60/94/69/598609469.db2.gz OFNFVEIRWBNWOQ-UHFFFAOYSA-N -1 3 373.420 2.599 20 10 FFCDHM Cc1cc(C(=O)OCCOC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737244135 598623732 /nfs/dbraw/zinc/62/37/32/598623732.db2.gz ZEHJRMLQWLYNSS-UHFFFAOYSA-N -1 3 369.425 2.856 20 10 FFCDHM COc1ccc2c(c1)CCCN2Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826213367 607484444 /nfs/dbraw/zinc/48/44/44/607484444.db2.gz VCINWQPTWYAJHH-UHFFFAOYSA-N -1 3 351.410 2.837 20 10 FFCDHM COc1ccc2c(c1)CCCN2Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826213367 607484446 /nfs/dbraw/zinc/48/44/46/607484446.db2.gz VCINWQPTWYAJHH-UHFFFAOYSA-N -1 3 351.410 2.837 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000739780114 603397449 /nfs/dbraw/zinc/39/74/49/603397449.db2.gz MXWQCESGOSIMDZ-SJKOYZFVSA-N -1 3 372.421 2.810 20 10 FFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1[O-] ZINC000739780114 603397454 /nfs/dbraw/zinc/39/74/54/603397454.db2.gz MXWQCESGOSIMDZ-SJKOYZFVSA-N -1 3 372.421 2.810 20 10 FFCDHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812370 605599816 /nfs/dbraw/zinc/59/98/16/605599816.db2.gz IYOGZRQXOBKFFP-ZBFHGGJFSA-N -1 3 365.449 2.530 20 10 FFCDHM Cc1cc(C(=O)N2CCC2(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169081 606152076 /nfs/dbraw/zinc/15/20/76/606152076.db2.gz YLQDXTILLIQBHO-UHFFFAOYSA-N -1 3 350.426 2.899 20 10 FFCDHM Fc1cc(NNC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000822753602 606168115 /nfs/dbraw/zinc/16/81/15/606168115.db2.gz PBJBUESTCPIFPU-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Fc1cc(NNC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000822753602 606168116 /nfs/dbraw/zinc/16/81/16/606168116.db2.gz PBJBUESTCPIFPU-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Cn1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000826363005 608109526 /nfs/dbraw/zinc/10/95/26/608109526.db2.gz SAMUUMHYIBAVIN-JYRVWZFOSA-N -1 3 368.447 2.611 20 10 FFCDHM Cn1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)c1 ZINC000826363005 608109527 /nfs/dbraw/zinc/10/95/27/608109527.db2.gz SAMUUMHYIBAVIN-JYRVWZFOSA-N -1 3 368.447 2.611 20 10 FFCDHM COc1ccc(N2CCC(Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826209130 609353638 /nfs/dbraw/zinc/35/36/38/609353638.db2.gz OCAAXGOAZAWNJW-UHFFFAOYSA-N -1 3 350.426 2.956 20 10 FFCDHM COc1ccc(N2CCC(Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826209130 609353640 /nfs/dbraw/zinc/35/36/40/609353640.db2.gz OCAAXGOAZAWNJW-UHFFFAOYSA-N -1 3 350.426 2.956 20 10 FFCDHM COC(=O)c1sc2[n-]c(CSc3nccs3)nc(=O)c2c1C ZINC000064660596 728151834 /nfs/dbraw/zinc/15/18/34/728151834.db2.gz VBNNGWISMGLAPA-UHFFFAOYSA-N -1 3 353.450 2.828 20 10 FFCDHM COC(=O)CN(Cc1nnc(C(C)(C)C)o1)Cc1cc(Cl)ccc1[O-] ZINC000111238308 728535518 /nfs/dbraw/zinc/53/55/18/728535518.db2.gz IJMHCXRZAPYJLR-UHFFFAOYSA-N -1 3 367.833 2.901 20 10 FFCDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1cncc([O-])c1 ZINC000175844942 729102538 /nfs/dbraw/zinc/10/25/38/729102538.db2.gz SUNHBDQBDYTDAG-UHFFFAOYSA-N -1 3 351.200 2.918 20 10 FFCDHM [O-]c1cccc(Br)c1CNCc1nnc2n1CCCCC2 ZINC000858088289 730416217 /nfs/dbraw/zinc/41/62/17/730416217.db2.gz XYRDNWVYQUNINL-UHFFFAOYSA-N -1 3 351.248 2.762 20 10 FFCDHM C[C@H](N[C@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434720 730425666 /nfs/dbraw/zinc/42/56/66/730425666.db2.gz NOOHHDWGCLNIJS-QPUJVOFHSA-N -1 3 374.666 2.926 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1c([O-])cccc1Br ZINC000862338219 730689897 /nfs/dbraw/zinc/68/98/97/730689897.db2.gz MYUCPDFFDVPHND-HFAKWTLXSA-N -1 3 354.244 2.928 20 10 FFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)S1(=O)=O ZINC000862366467 730692338 /nfs/dbraw/zinc/69/23/38/730692338.db2.gz ITYGSXLNQWBOAB-WDEREUQCSA-N -1 3 362.289 2.552 20 10 FFCDHM COC(=O)c1conc1C(C)(C)NCc1c([O-])cccc1Br ZINC000862398757 730697150 /nfs/dbraw/zinc/69/71/50/730697150.db2.gz FAODSAFYZNCYCS-UHFFFAOYSA-N -1 3 369.215 2.954 20 10 FFCDHM CCN(CC)C(=O)CN1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775648703 738108972 /nfs/dbraw/zinc/10/89/72/738108972.db2.gz HTTZIBUFXYJSCS-UHFFFAOYSA-N -1 3 371.884 2.561 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C)CC(=O)NCc2ccco2)c1 ZINC000781893962 738668320 /nfs/dbraw/zinc/66/83/20/738668320.db2.gz ASXICXKNRWXXJK-UHFFFAOYSA-N -1 3 367.243 2.804 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1[O-] ZINC000886799937 733839326 /nfs/dbraw/zinc/83/93/26/733839326.db2.gz ZSOOYJNZGZLTTB-CQSZACIVSA-N -1 3 351.752 2.995 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887895873 733989785 /nfs/dbraw/zinc/98/97/85/733989785.db2.gz OPHMZQVYTBEDTM-VIFPVBQESA-N -1 3 353.300 2.536 20 10 FFCDHM CN(C)c1ccc([C@H](CNC(=O)c2s[n-]c(=O)c2Cl)N(C)C)cc1 ZINC000891250301 734404962 /nfs/dbraw/zinc/40/49/62/734404962.db2.gz WKJKTSNZYFRRSH-LBPRGKRZSA-N -1 3 368.890 2.601 20 10 FFCDHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000734017142 734867723 /nfs/dbraw/zinc/86/77/23/734867723.db2.gz CEYFFHUOZVMHLB-OLZOCXBDSA-N -1 3 354.472 2.710 20 10 FFCDHM O=C1CC[C@@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CC[C@H]2N1 ZINC000895258125 734982442 /nfs/dbraw/zinc/98/24/42/734982442.db2.gz BPENHWJONXLBNX-NOZJJQNGSA-N -1 3 373.678 2.909 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CC1)COCCO2 ZINC000895700428 735042263 /nfs/dbraw/zinc/04/22/63/735042263.db2.gz RFWBWZHZMBMSHL-UHFFFAOYSA-N -1 3 360.223 2.675 20 10 FFCDHM [O-]c1c(Br)cccc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895847372 735063547 /nfs/dbraw/zinc/06/35/47/735063547.db2.gz URIZJTWGBGBRDV-LBPRGKRZSA-N -1 3 354.166 2.901 20 10 FFCDHM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(Br)cc1[O-] ZINC000895863240 735066654 /nfs/dbraw/zinc/06/66/54/735066654.db2.gz JPXRVLLMGUXTGV-ZIAGYGMSSA-N -1 3 372.259 2.745 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)c1nc(C2CC2)ncc1Br ZINC000902944971 736011097 /nfs/dbraw/zinc/01/10/97/736011097.db2.gz OYDQSNQWHPLNPU-UHFFFAOYSA-N -1 3 366.190 2.891 20 10 FFCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)s1 ZINC000763579670 736949573 /nfs/dbraw/zinc/94/95/73/736949573.db2.gz OHCRTQNBVIWSHY-UHFFFAOYSA-N -1 3 351.497 2.566 20 10 FFCDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C ZINC000771220226 737707147 /nfs/dbraw/zinc/70/71/47/737707147.db2.gz SAKUWBDPNPDHAC-UHFFFAOYSA-N -1 3 351.424 2.835 20 10 FFCDHM NC(=O)CN1CCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2C1 ZINC000788528344 739255324 /nfs/dbraw/zinc/25/53/24/739255324.db2.gz AEKYIAJTRBWFGK-UHFFFAOYSA-N -1 3 363.820 2.640 20 10 FFCDHM O=C(NCCc1ccc(Br)cc1F)c1cccc(O)c1[O-] ZINC000790668047 739483653 /nfs/dbraw/zinc/48/36/53/739483653.db2.gz JGTFRVXLMPDISN-UHFFFAOYSA-N -1 3 354.175 2.972 20 10 FFCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031274 740094078 /nfs/dbraw/zinc/09/40/78/740094078.db2.gz IXNKGPJRQKQZLI-LRDDRELGSA-N -1 3 356.260 2.925 20 10 FFCDHM CC[C@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H](C)S1(=O)=O ZINC000808192449 741197533 /nfs/dbraw/zinc/19/75/33/741197533.db2.gz DBWIBLQHADOTBT-CJNGLKHVSA-N -1 3 363.479 2.952 20 10 FFCDHM [O-]c1ccc(F)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000816536158 742040073 /nfs/dbraw/zinc/04/00/73/742040073.db2.gz NDKDVAPBVXGUOH-UHFFFAOYSA-N -1 3 352.356 2.936 20 10 FFCDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816570710 742043262 /nfs/dbraw/zinc/04/32/62/742043262.db2.gz FHFAKKXPLWMTSU-UHFFFAOYSA-N -1 3 362.829 2.504 20 10 FFCDHM COc1c([O-])c(CNc2ccc(F)c(NC(N)=O)c2)ccc1[N+](=O)[O-] ZINC000816623813 742048589 /nfs/dbraw/zinc/04/85/89/742048589.db2.gz KJCRSAJBBOXXAY-UHFFFAOYSA-N -1 3 350.306 2.551 20 10 FFCDHM COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631657 742287130 /nfs/dbraw/zinc/28/71/30/742287130.db2.gz MGKSQKYITPCVAD-ZANVPECISA-N -1 3 358.232 2.848 20 10 FFCDHM COc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631657 742287132 /nfs/dbraw/zinc/28/71/32/742287132.db2.gz MGKSQKYITPCVAD-ZANVPECISA-N -1 3 358.232 2.848 20 10 FFCDHM [O-]c1ccc(Br)cc1CN1CCn2c(nnc2C(F)F)C1 ZINC000827899064 744998549 /nfs/dbraw/zinc/99/85/49/744998549.db2.gz ZGQABIRIORXVPA-UHFFFAOYSA-N -1 3 359.174 2.700 20 10 FFCDHM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000836890961 746325972 /nfs/dbraw/zinc/32/59/72/746325972.db2.gz UNTYFJZGZWMDCE-GDBMZVCRSA-N -1 3 354.472 2.516 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC000837155568 746380629 /nfs/dbraw/zinc/38/06/29/746380629.db2.gz LZZVOZQPETUSOB-AGIUHOORSA-N -1 3 354.472 2.708 20 10 FFCDHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839889404 746954631 /nfs/dbraw/zinc/95/46/31/746954631.db2.gz FFJGYAIRLJCUBS-ZIAGYGMSSA-N -1 3 354.472 2.708 20 10 FFCDHM COc1c([O-])c(CN[C@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000846015052 748382501 /nfs/dbraw/zinc/38/25/01/748382501.db2.gz VTBDNLFTFFQTEP-BONVTDFDSA-N -1 3 350.346 2.660 20 10 FFCDHM COC(=O)CN(CC[C@H]1COC(C)(C)O1)Cc1cc(Cl)ccc1[O-] ZINC000851841400 749699247 /nfs/dbraw/zinc/69/92/47/749699247.db2.gz QVGUFAQAEGATKL-AWEZNQCLSA-N -1 3 357.834 2.562 20 10 FFCDHM CN(Cc1cc(F)c(F)cc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001142509011 982464511 /nfs/dbraw/zinc/46/45/11/982464511.db2.gz SWTWIQROPUBCHA-ZDUSSCGKSA-N -1 3 372.412 2.738 20 10 FFCDHM C[C@@]1(c2ccccc2)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000920977892 990947679 /nfs/dbraw/zinc/94/76/79/990947679.db2.gz VVQZXTWOVMDNQB-IBGZPJMESA-N -1 3 374.462 2.915 20 10 FFCDHM O=C1COc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])cc2N1 ZINC001168527463 993232792 /nfs/dbraw/zinc/23/27/92/993232792.db2.gz IXXDOLIPVKDRQX-UHFFFAOYSA-N -1 3 356.769 2.932 20 10 FFCDHM COc1ccc(N(C)CCN(C)Cc2cc(C(=O)[O-])ccc2OC)cc1 ZINC001599584362 993592690 /nfs/dbraw/zinc/59/26/90/993592690.db2.gz QHPBZFKEQSVSAW-UHFFFAOYSA-N -1 3 358.438 2.970 20 10 FFCDHM CC(C)Cn1cc(NCc2cc(Br)ccc2[O-])ncc1=O ZINC001171176464 998512646 /nfs/dbraw/zinc/51/26/46/998512646.db2.gz PEBLQUXAHJIOJQ-UHFFFAOYSA-N -1 3 352.232 2.980 20 10 FFCDHM COc1ccc(-c2nnsc2NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148581168 1001174582 /nfs/dbraw/zinc/17/45/82/1001174582.db2.gz NNKAXEHYHKOICU-UHFFFAOYSA-N -1 3 359.363 2.583 20 10 FFCDHM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1c([O-])ccc2ccncc21 ZINC000771635177 1001175434 /nfs/dbraw/zinc/17/54/34/1001175434.db2.gz LEXGXVWNIPINAD-SFHVURJKSA-N -1 3 352.438 2.864 20 10 FFCDHM COc1cccc([C@H]2CSCCN2C(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148588293 1001176808 /nfs/dbraw/zinc/17/68/08/1001176808.db2.gz RDZYOTDBNSQWAE-CQSZACIVSA-N -1 3 361.419 2.742 20 10 FFCDHM COc1c([O-])c(CNc2ccc3ccc(=O)n(C)c3c2)ccc1[N+](=O)[O-] ZINC000787297409 1001680802 /nfs/dbraw/zinc/68/08/02/1001680802.db2.gz WHGVWPDCJQPALV-UHFFFAOYSA-N -1 3 355.350 2.773 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCOCC12CCC2 ZINC001232979852 1036215518 /nfs/dbraw/zinc/21/55/18/1036215518.db2.gz JDANZZMSZSZBMP-UHFFFAOYSA-N -1 3 359.207 2.752 20 10 FFCDHM C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000789987841 1002249737 /nfs/dbraw/zinc/24/97/37/1002249737.db2.gz XQZIXUJICIPCQU-CQSZACIVSA-N -1 3 358.413 2.974 20 10 FFCDHM CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790926287 1002512906 /nfs/dbraw/zinc/51/29/06/1002512906.db2.gz KKKZBNXMIGFTCW-ZDUSSCGKSA-N -1 3 364.442 2.959 20 10 FFCDHM COc1c([O-])c(CNc2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000774929356 1003070476 /nfs/dbraw/zinc/07/04/76/1003070476.db2.gz XWAPBCOIRQDIBK-UHFFFAOYSA-N -1 3 359.338 2.878 20 10 FFCDHM O=C(Nc1cnn(-c2ccccc2)c(=O)c1)c1ccc([O-])c(O)c1Cl ZINC001193247003 1004417611 /nfs/dbraw/zinc/41/76/11/1004417611.db2.gz GZFUVJWLPBPGDM-UHFFFAOYSA-N -1 3 357.753 2.549 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000129216087 1006211143 /nfs/dbraw/zinc/21/11/43/1006211143.db2.gz VNEQKFOEBZYSAU-KRWDZBQOSA-N -1 3 374.462 2.515 20 10 FFCDHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(N(C)C)cc1 ZINC000775432525 1007885568 /nfs/dbraw/zinc/88/55/68/1007885568.db2.gz HQIRPCBUOSEEIT-LLVKDONJSA-N -1 3 352.394 2.519 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CNC(c2ccnn2C)c2ccnn2C)c1[O-] ZINC000860080184 1008818921 /nfs/dbraw/zinc/81/89/21/1008818921.db2.gz WWJLSRRGUIECFH-UHFFFAOYSA-N -1 3 373.844 2.594 20 10 FFCDHM O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712284 1019086081 /nfs/dbraw/zinc/08/60/81/1019086081.db2.gz QFOTVBZCGFZXSM-MRXNPFEDSA-N -1 3 370.424 2.629 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000928711175 1019086715 /nfs/dbraw/zinc/08/67/15/1019086715.db2.gz GGJBNRWZWCLZEB-KRWDZBQOSA-N -1 3 356.397 2.842 20 10 FFCDHM [O-]c1ccc(F)cc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000778996224 1022629032 /nfs/dbraw/zinc/62/90/32/1022629032.db2.gz KCZXADFVBAWHCQ-UHFFFAOYSA-N -1 3 368.412 2.899 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[n-]2)c1 ZINC000756741066 1023751775 /nfs/dbraw/zinc/75/17/75/1023751775.db2.gz AZGJJHYKCNBPHS-NSHDSACASA-N -1 3 370.384 2.954 20 10 FFCDHM CCC[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CCO1 ZINC001121460866 1023791176 /nfs/dbraw/zinc/79/11/76/1023791176.db2.gz PPJJGBIKXBTQNL-LLVKDONJSA-N -1 3 359.455 2.803 20 10 FFCDHM CN(Cc1c([O-])cccc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831661 1033164346 /nfs/dbraw/zinc/16/43/46/1033164346.db2.gz JEWANIOCBVZAPS-ZDUSSCGKSA-N -1 3 354.422 2.599 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC2(C1)CCOCC2 ZINC001121558797 1023848580 /nfs/dbraw/zinc/84/85/80/1023848580.db2.gz YJBJWCVNLNPJRT-UHFFFAOYSA-N -1 3 371.466 2.804 20 10 FFCDHM COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1Cc1c([O-])cccc1F ZINC001137839516 1033183527 /nfs/dbraw/zinc/18/35/27/1033183527.db2.gz AZHDCWJGKOKNFY-QGZVFWFLSA-N -1 3 372.440 2.781 20 10 FFCDHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1[O-] ZINC000839578097 1026743826 /nfs/dbraw/zinc/74/38/26/1026743826.db2.gz KYQXPFUSBJCRCZ-CQSZACIVSA-N -1 3 368.433 2.922 20 10 FFCDHM COc1ccc(N2CCN(C(=O)c3ccc(C(C)=O)c([O-])c3)CC2)cc1F ZINC000839701691 1026798170 /nfs/dbraw/zinc/79/81/70/1026798170.db2.gz ZAJXEBYIEGJMJZ-UHFFFAOYSA-N -1 3 372.396 2.705 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc2n[nH]cc2c1 ZINC001150493540 1031728562 /nfs/dbraw/zinc/72/85/62/1031728562.db2.gz YHPFEYLVNWUSGS-UHFFFAOYSA-N -1 3 353.769 2.795 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCc4nccn4C3)cccc21 ZINC001226383272 1034661702 /nfs/dbraw/zinc/66/17/02/1034661702.db2.gz GJYHVHLSGJSCCV-GFCCVEGCSA-N -1 3 360.369 2.758 20 10 FFCDHM C[C@H](CN(C)C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227034046 1034916251 /nfs/dbraw/zinc/91/62/51/1034916251.db2.gz VLZQXEKQHJHVKZ-LLVKDONJSA-N -1 3 371.389 2.906 20 10 FFCDHM Cc1cccnc1N1CCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139127471 1034956879 /nfs/dbraw/zinc/95/68/79/1034956879.db2.gz WLOZKTRVKVXSAU-UHFFFAOYSA-N -1 3 365.433 2.833 20 10 FFCDHM COc1ncnc2c1CCN(Cc1c([O-])cccc1Br)C2 ZINC001140100720 1035341710 /nfs/dbraw/zinc/34/17/10/1035341710.db2.gz AGFDTJUECFANQW-UHFFFAOYSA-N -1 3 350.216 2.512 20 10 FFCDHM COc1cc(OC2CC(=O)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227392815 1035532482 /nfs/dbraw/zinc/53/24/82/1035532482.db2.gz LTHMSGQPZXGRPK-UHFFFAOYSA-N -1 3 352.342 2.595 20 10 FFCDHM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(Cl)c(C)cc2[O-])C1=O ZINC001277215463 1035589629 /nfs/dbraw/zinc/58/96/29/1035589629.db2.gz WOCJBUDZQSDIPT-BFUOFWGJSA-N -1 3 364.873 2.898 20 10 FFCDHM CC(=O)[C@@H]1CCCCN1Cc1ccc(I)cc1[O-] ZINC001232980160 1036214128 /nfs/dbraw/zinc/21/41/28/1036214128.db2.gz MNEGGHVMEWKECZ-ZDUSSCGKSA-N -1 3 359.207 2.940 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCC[C@@](C)(O)C2)c1 ZINC001233306009 1036510540 /nfs/dbraw/zinc/51/05/40/1036510540.db2.gz BNTYYYZZJSEHQX-MRXNPFEDSA-N -1 3 372.259 2.678 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@H](CO)CC[C@@H]2C)c1 ZINC001233306552 1036512653 /nfs/dbraw/zinc/51/26/53/1036512653.db2.gz UZARNTQJIRKIPY-WDEREUQCSA-N -1 3 372.259 2.534 20 10 FFCDHM CCOC(=O)[C@@H](CC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192607 1036543433 /nfs/dbraw/zinc/54/34/33/1036543433.db2.gz QDDRDKBPQIYHLY-CQSZACIVSA-N -1 3 354.358 2.888 20 10 FFCDHM CCOC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2nnn(C)c21 ZINC001233453414 1036633196 /nfs/dbraw/zinc/63/31/96/1036633196.db2.gz GMPFKTUQTQPGCA-GFCCVEGCSA-N -1 3 370.375 2.675 20 10 FFCDHM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454660 1036634044 /nfs/dbraw/zinc/63/40/44/1036634044.db2.gz DWWXNNDKWPAMPI-UBSAEIQESA-N -1 3 359.344 2.563 20 10 FFCDHM COC(=O)c1cn2c(n1)CN(Cc1c([O-])ccc3ccc(OC)cc31)CC2 ZINC001234562383 1037087811 /nfs/dbraw/zinc/08/78/11/1037087811.db2.gz MPGRNUFRZUELHO-UHFFFAOYSA-N -1 3 367.405 2.553 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450817 1037589344 /nfs/dbraw/zinc/58/93/44/1037589344.db2.gz VTBWXFABHZVBPA-LJQANCHMSA-N -1 3 362.426 2.676 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450817 1037589358 /nfs/dbraw/zinc/58/93/58/1037589358.db2.gz VTBWXFABHZVBPA-LJQANCHMSA-N -1 3 362.426 2.676 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)c([O-])c1 ZINC001231451468 1037592363 /nfs/dbraw/zinc/59/23/63/1037592363.db2.gz MZPNSWKEFPHOKW-UHFFFAOYSA-N -1 3 366.417 2.966 20 10 FFCDHM O=C([O-])c1ccc(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)c1 ZINC001231454458 1037593842 /nfs/dbraw/zinc/59/38/42/1037593842.db2.gz XOHGYOZTNDUXGI-QGZVFWFLSA-N -1 3 372.396 2.624 20 10 FFCDHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453209 1037594653 /nfs/dbraw/zinc/59/46/53/1037594653.db2.gz IJIRAXOMDSPOIB-WFASDCNBSA-N -1 3 364.442 2.968 20 10 FFCDHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453209 1037594656 /nfs/dbraw/zinc/59/46/56/1037594656.db2.gz IJIRAXOMDSPOIB-WFASDCNBSA-N -1 3 364.442 2.968 20 10 FFCDHM O=C([O-])c1ccc(CN2CCN(C3(c4ccccc4)CC3)CC2)c(O)c1 ZINC001231453395 1037594864 /nfs/dbraw/zinc/59/48/64/1037594864.db2.gz DZHOOXNJPCWEPP-UHFFFAOYSA-N -1 3 352.434 2.897 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CCC1 ZINC001231453038 1037595821 /nfs/dbraw/zinc/59/58/21/1037595821.db2.gz ALNSBVRWDSHMKB-UHFFFAOYSA-N -1 3 364.442 2.923 20 10 FFCDHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001231566014 1037689092 /nfs/dbraw/zinc/68/90/92/1037689092.db2.gz HLPXJIYIQMUVNL-DOMZBBRYSA-N -1 3 364.442 2.826 20 10 FFCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c1 ZINC001231564756 1037689547 /nfs/dbraw/zinc/68/95/47/1037689547.db2.gz XHAAHORFVUUREW-GOSISDBHSA-N -1 3 366.417 2.544 20 10 FFCDHM CC1(C)[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001231567346 1037691319 /nfs/dbraw/zinc/69/13/19/1037691319.db2.gz YSVPGAHGZOPKKR-OAQYLSRUSA-N -1 3 367.401 2.932 20 10 FFCDHM CC1(C)[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001231567346 1037691327 /nfs/dbraw/zinc/69/13/27/1037691327.db2.gz YSVPGAHGZOPKKR-OAQYLSRUSA-N -1 3 367.401 2.932 20 10 FFCDHM Cc1cc([O-])c(CN2CCn3c(COCC4CC4)nnc3C2)cc1Cl ZINC001231867771 1037966191 /nfs/dbraw/zinc/96/61/91/1037966191.db2.gz PMZXGGACFUJKMI-UHFFFAOYSA-N -1 3 362.861 2.888 20 10 FFCDHM CCn1nnc2c1CCN(Cc1ccc3ccccc3c1[O-])[C@H]2COC ZINC001231877949 1037972500 /nfs/dbraw/zinc/97/25/00/1037972500.db2.gz BDBXJCPMFABULF-SFHVURJKSA-N -1 3 352.438 2.903 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001236668241 1038180606 /nfs/dbraw/zinc/18/06/06/1038180606.db2.gz BFAPVGJQYQWNCB-LBPRGKRZSA-N -1 3 361.230 2.988 20 10 FFCDHM COc1cc([O-])c(CN2CC3CC2(C(=O)N2CCCC2)C3)c(Cl)c1 ZINC001236796011 1038274800 /nfs/dbraw/zinc/27/48/00/1038274800.db2.gz BCNZSCLADYHNKL-UHFFFAOYSA-N -1 3 350.846 2.641 20 10 FFCDHM COc1cc([O-])c(CN2CC(Oc3cccnc3)C2)c(Br)c1 ZINC001237074002 1038436064 /nfs/dbraw/zinc/43/60/64/1038436064.db2.gz YTSCCNISGMAFDN-UHFFFAOYSA-N -1 3 365.227 2.822 20 10 FFCDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001259325190 1039915192 /nfs/dbraw/zinc/91/51/92/1039915192.db2.gz OMTBQBAEGHVNOM-UHFFFAOYSA-N -1 3 363.435 2.915 20 10 FFCDHM [O-]c1ccc(-c2nnc(Cc3ccccc3)o2)cc1CN1CCOCC1 ZINC001253595308 1040253316 /nfs/dbraw/zinc/25/33/16/1040253316.db2.gz VAQRHEAQIVHOFL-UHFFFAOYSA-N -1 3 351.406 2.865 20 10 FFCDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H]2C)cc1I ZINC001248462198 1040286162 /nfs/dbraw/zinc/28/61/62/1040286162.db2.gz QQAHHIVPQBAQQO-PSASIEDQSA-N -1 3 365.186 2.938 20 10 FFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccncc2Br)no1 ZINC001215327655 1041739586 /nfs/dbraw/zinc/73/95/86/1041739586.db2.gz MQIPQZHNVRNAOM-UHFFFAOYSA-N -1 3 350.128 2.678 20 10 FFCDHM O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001279529260 1043228550 /nfs/dbraw/zinc/22/85/50/1043228550.db2.gz OFXUHMWIGCCCCU-IYBDPMFKSA-N -1 3 356.401 2.807 20 10 FFCDHM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC001237623691 1043279722 /nfs/dbraw/zinc/27/97/22/1043279722.db2.gz SSWZHODFMPUZQM-UHFFFAOYSA-N -1 3 355.841 2.955 20 10 FFCDHM CO[C@@H]1CCN(Cc2cccc(I)c2[O-])[C@H](C)C1 ZINC001237784992 1043356119 /nfs/dbraw/zinc/35/61/19/1043356119.db2.gz BTMZMDUXMVMXQK-ZYHUDNBSSA-N -1 3 361.223 2.996 20 10 FFCDHM C[C@H]1CC[C@H](CO)CN1Cc1cccc(I)c1[O-] ZINC001237778532 1043353793 /nfs/dbraw/zinc/35/37/93/1043353793.db2.gz XNJXIZFGBQCACG-QWRGUYRKSA-N -1 3 361.223 2.590 20 10 FFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(CCN2CCn2ccnc2)C1 ZINC001279677007 1043450392 /nfs/dbraw/zinc/45/03/92/1043450392.db2.gz WHODJAFXJOTAGE-UHFFFAOYSA-N -1 3 367.280 2.856 20 10 FFCDHM C[C@H]1COC2(CCC2)CN1c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340209346 1050618248 /nfs/dbraw/zinc/61/82/48/1050618248.db2.gz LZKMGAMUSAKXCS-NSHDSACASA-N -1 3 371.466 2.945 20 10 FFCDHM CC(C)CN(CC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001337057437 1054446519 /nfs/dbraw/zinc/44/65/19/1054446519.db2.gz IYFUNBCXFARFPU-UHFFFAOYSA-N -1 3 356.488 2.908 20 10 FFCDHM CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001338514253 1055582532 /nfs/dbraw/zinc/58/25/32/1055582532.db2.gz TZNXSQZKQYJJRX-GFCCVEGCSA-N -1 3 360.385 2.964 20 10 FFCDHM C[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC(C)(C)O1 ZINC001338588676 1055647751 /nfs/dbraw/zinc/64/77/51/1055647751.db2.gz MJLBCFIKIMVNPA-SNVBAGLBSA-N -1 3 359.455 2.801 20 10 FFCDHM O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1cccc(O)c1[O-] ZINC001465949856 1063277558 /nfs/dbraw/zinc/27/75/58/1063277558.db2.gz VWLARNCOZMPFHU-KRWDZBQOSA-N -1 3 369.417 2.925 20 10 FFCDHM COC[C@]1(C(=O)OC(C)(C)C)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001474649782 1065570630 /nfs/dbraw/zinc/57/06/30/1065570630.db2.gz LGAZVPZONNDJOK-SFHVURJKSA-N -1 3 371.861 2.605 20 10 FFCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])s1 ZINC001474792382 1065608666 /nfs/dbraw/zinc/60/86/66/1065608666.db2.gz XWQZFQBVHRFHRA-UHFFFAOYSA-N -1 3 355.441 2.509 20 10 FFCDHM CC(C)c1cccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001589771023 1080725120 /nfs/dbraw/zinc/72/51/20/1080725120.db2.gz ABXNBMGZCAEMJX-UHFFFAOYSA-N -1 3 353.455 2.872 20 10 FFCDHM CC(C)c1cccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001589771023 1080725130 /nfs/dbraw/zinc/72/51/30/1080725130.db2.gz ABXNBMGZCAEMJX-UHFFFAOYSA-N -1 3 353.455 2.872 20 10 FFCDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589937174 1080882320 /nfs/dbraw/zinc/88/23/20/1080882320.db2.gz XZJFIJIUBPXIEY-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589937174 1080882329 /nfs/dbraw/zinc/88/23/29/1080882329.db2.gz XZJFIJIUBPXIEY-NSHDSACASA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589950924 1080896199 /nfs/dbraw/zinc/89/61/99/1080896199.db2.gz YJMIXDKGLFWSHV-QWRGUYRKSA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589950924 1080896210 /nfs/dbraw/zinc/89/62/10/1080896210.db2.gz YJMIXDKGLFWSHV-QWRGUYRKSA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962597 1080906986 /nfs/dbraw/zinc/90/69/86/1080906986.db2.gz HRMNHKHMAMOYHL-GJZGRUSLSA-N -1 3 364.453 2.749 20 10 FFCDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042326 1080967115 /nfs/dbraw/zinc/96/71/15/1080967115.db2.gz GKAIQATUFYYYBJ-UPZNUWHASA-N -1 3 365.393 2.511 20 10 FFCDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042326 1080967119 /nfs/dbraw/zinc/96/71/19/1080967119.db2.gz GKAIQATUFYYYBJ-UPZNUWHASA-N -1 3 365.393 2.511 20 10 FFCDHM CCC(=O)N1CCCN(Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000373223823 512228036 /nfs/dbraw/zinc/22/80/36/512228036.db2.gz LKMSTHLIWPVXCX-UHFFFAOYSA-N -1 3 355.276 2.907 20 10 FFCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1c1ccccc1 ZINC000091984395 508029506 /nfs/dbraw/zinc/02/95/06/508029506.db2.gz FQLHLUFLFDFRFT-PXAZEXFGSA-N -1 3 360.435 2.597 20 10 FFCDHM Cc1ccc([C@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000093929803 508161704 /nfs/dbraw/zinc/16/17/04/508161704.db2.gz KFFSWRHLRPWQDQ-ZDUSSCGKSA-N -1 3 362.451 2.905 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000159556705 508857801 /nfs/dbraw/zinc/85/78/01/508857801.db2.gz VXLHUZGXVUEROP-RDJZCZTQSA-N -1 3 363.385 2.651 20 10 FFCDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(Br)ccc1[O-] ZINC000186029478 509488432 /nfs/dbraw/zinc/48/84/32/509488432.db2.gz KLTHZWPEZMNBHV-UWVGGRQHSA-N -1 3 350.278 2.629 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC1OCCCO1 ZINC000189284020 509501216 /nfs/dbraw/zinc/50/12/16/509501216.db2.gz ZHRDVCPQBQQVGE-UHFFFAOYSA-N -1 3 358.232 2.656 20 10 FFCDHM C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000186403330 509691537 /nfs/dbraw/zinc/69/15/37/509691537.db2.gz OPRBJSLZUNMWJJ-AWEZNQCLSA-N -1 3 373.428 2.975 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000180332030 509873204 /nfs/dbraw/zinc/87/32/04/509873204.db2.gz RTRLODJJKIFCEY-CYBMUJFWSA-N -1 3 366.464 2.803 20 10 FFCDHM CCCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000177279330 509976227 /nfs/dbraw/zinc/97/62/27/509976227.db2.gz FKNRCOBTZCOKAH-OAHLLOKOSA-N -1 3 357.447 2.523 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1[O-] ZINC000177465679 510076634 /nfs/dbraw/zinc/07/66/34/510076634.db2.gz RVHUUEYHMPXNRE-QGZVFWFLSA-N -1 3 351.418 2.894 20 10 FFCDHM CCN(CC(=O)NCC(F)(F)F)Cc1cc(Br)ccc1[O-] ZINC000174424598 510108375 /nfs/dbraw/zinc/10/83/75/510108375.db2.gz FRVOTHTXPBLAMP-UHFFFAOYSA-N -1 3 369.181 2.655 20 10 FFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000245742805 510122694 /nfs/dbraw/zinc/12/26/94/510122694.db2.gz GJGNZRHSUNOUAN-YCPHGPKFSA-N -1 3 356.260 2.923 20 10 FFCDHM CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000181959007 510679114 /nfs/dbraw/zinc/67/91/14/510679114.db2.gz VQSVNASJDCRGER-UHFFFAOYSA-N -1 3 356.422 2.818 20 10 FFCDHM C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CN1C1CC1 ZINC000277613657 510967931 /nfs/dbraw/zinc/96/79/31/510967931.db2.gz VWCLQSQGPXVKTG-JQWIXIFHSA-N -1 3 368.275 2.579 20 10 FFCDHM CN(C)C(=O)COc1cccc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294217107 510993087 /nfs/dbraw/zinc/99/30/87/510993087.db2.gz LPSINBVYOAGVDY-UHFFFAOYSA-N -1 3 366.820 2.942 20 10 FFCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1OC ZINC000278948999 511015294 /nfs/dbraw/zinc/01/52/94/511015294.db2.gz ZBKGXIMQCYHAFJ-UHFFFAOYSA-N -1 3 364.354 2.947 20 10 FFCDHM CC[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000287578231 511052744 /nfs/dbraw/zinc/05/27/44/511052744.db2.gz QXGRIDHGNMRFJU-MRXNPFEDSA-N -1 3 359.401 2.652 20 10 FFCDHM Cc1cc(Br)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280144118 511352499 /nfs/dbraw/zinc/35/24/99/511352499.db2.gz DGFOZHSYQWCDSW-WBMJQRKESA-N -1 3 356.260 2.843 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[C@H]1CCCO1 ZINC000272235132 511473907 /nfs/dbraw/zinc/47/39/07/511473907.db2.gz MPSRNTMWUIGATH-CQSZACIVSA-N -1 3 355.818 2.506 20 10 FFCDHM COc1cc(Cl)cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c1[O-] ZINC000273792818 511610718 /nfs/dbraw/zinc/61/07/18/511610718.db2.gz VTMWLUHHUOOHQW-UHFFFAOYSA-N -1 3 373.902 2.988 20 10 FFCDHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000372281913 512794881 /nfs/dbraw/zinc/79/48/81/512794881.db2.gz KRJQBLSZXLXZPD-ZIAGYGMSSA-N -1 3 357.834 2.597 20 10 FFCDHM Cc1c[nH]c(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000822394993 607324206 /nfs/dbraw/zinc/32/42/06/607324206.db2.gz NOENYJLKSFDOLI-UHFFFAOYSA-N -1 3 362.397 2.558 20 10 FFCDHM Fc1cccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737666551 598323288 /nfs/dbraw/zinc/32/32/88/598323288.db2.gz ZMNJUJAZJPHWPS-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Fc1cccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737666551 598323290 /nfs/dbraw/zinc/32/32/90/598323290.db2.gz ZMNJUJAZJPHWPS-UHFFFAOYSA-N -1 3 363.809 2.973 20 10 FFCDHM Cc1cc(C(=O)NC[C@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235019 598610726 /nfs/dbraw/zinc/61/07/26/598610726.db2.gz QCOAUBPAWWUDFS-IAQYHMDHSA-N -1 3 350.426 2.660 20 10 FFCDHM Cc1cc(C(=O)NCc2ccoc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236778 598612037 /nfs/dbraw/zinc/61/20/37/598612037.db2.gz ROUKPSSWHBTPLU-UHFFFAOYSA-N -1 3 362.393 2.797 20 10 FFCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820427262 599395831 /nfs/dbraw/zinc/39/58/31/599395831.db2.gz RDEMTCUHJSEQPF-SECBINFHSA-N -1 3 374.788 2.985 20 10 FFCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820427262 599395834 /nfs/dbraw/zinc/39/58/34/599395834.db2.gz RDEMTCUHJSEQPF-SECBINFHSA-N -1 3 374.788 2.985 20 10 FFCDHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717475 604287071 /nfs/dbraw/zinc/28/70/71/604287071.db2.gz ILXGFUSGTDETOJ-KBPBESRZSA-N -1 3 367.877 2.970 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1[O-] ZINC000833898806 605991137 /nfs/dbraw/zinc/99/11/37/605991137.db2.gz WFLGODKDUUDJOS-NSHDSACASA-N -1 3 357.248 2.895 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1[O-] ZINC000833898806 605991141 /nfs/dbraw/zinc/99/11/41/605991141.db2.gz WFLGODKDUUDJOS-NSHDSACASA-N -1 3 357.248 2.895 20 10 FFCDHM Cc1cc(C(=O)NOC2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260216 608569609 /nfs/dbraw/zinc/56/96/09/608569609.db2.gz BIFNERYPXDPPDO-UHFFFAOYSA-N -1 3 366.425 2.878 20 10 FFCDHM COC(=O)c1cc2n(n1)CCC[C@H]2NCc1cc(Cl)cc(F)c1[O-] ZINC000897986025 735300736 /nfs/dbraw/zinc/30/07/36/735300736.db2.gz UUIYIRRSLNRKEN-GFCCVEGCSA-N -1 3 353.781 2.793 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccccc3)CCC2)c1 ZINC000051418435 728068824 /nfs/dbraw/zinc/06/88/24/728068824.db2.gz QENQBKAEVHMJOO-UHFFFAOYSA-N -1 3 360.435 2.573 20 10 FFCDHM Cc1cc(C)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000055217761 728095662 /nfs/dbraw/zinc/09/56/62/728095662.db2.gz MCVXTKUDLVLBMZ-UHFFFAOYSA-N -1 3 362.451 2.619 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](N3CCOCC3)C2)c1[O-] ZINC000382456385 729834493 /nfs/dbraw/zinc/83/44/93/729834493.db2.gz COTZMJQYBUOGLQ-INIZCTEOSA-N -1 3 352.862 2.545 20 10 FFCDHM COCCN(CC(=O)OC(C)(C)C)Cc1c([O-])cccc1Br ZINC000862237992 730679974 /nfs/dbraw/zinc/67/99/74/730679974.db2.gz ZRGRJNZUAVQKBH-UHFFFAOYSA-N -1 3 374.275 2.945 20 10 FFCDHM CC(C)OCCN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862248023 730681738 /nfs/dbraw/zinc/68/17/38/730681738.db2.gz PNPDQIHQENDZSR-UHFFFAOYSA-N -1 3 357.292 2.697 20 10 FFCDHM CCOC(=O)[C@@H](NCc1c([O-])cccc1Br)[C@H]1CCCOC1 ZINC000862339611 730690145 /nfs/dbraw/zinc/69/01/45/730690145.db2.gz ZNABHPOJYLIYGC-NHYWBVRUSA-N -1 3 372.259 2.603 20 10 FFCDHM COC(=O)[C@H](CC(F)(F)F)NCc1c([O-])cccc1Br ZINC000862339477 730690217 /nfs/dbraw/zinc/69/02/17/730690217.db2.gz VQZDTIZTHBHBIN-VIFPVBQESA-N -1 3 356.138 2.738 20 10 FFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CC2(CCOCC2)O1 ZINC000862351861 730691118 /nfs/dbraw/zinc/69/11/18/730691118.db2.gz UCCLTTUMQIZEAZ-GFCCVEGCSA-N -1 3 356.260 2.925 20 10 FFCDHM C[C@@](CO)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(O)c1 ZINC000862432630 730702288 /nfs/dbraw/zinc/70/22/88/730702288.db2.gz LKPYDCHINDKWEG-INIZCTEOSA-N -1 3 352.774 2.657 20 10 FFCDHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000872477079 731776244 /nfs/dbraw/zinc/77/62/44/731776244.db2.gz CVTGKMMBUDORLR-IPQOISQHSA-N -1 3 361.533 2.544 20 10 FFCDHM COCCOC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894021949 734787959 /nfs/dbraw/zinc/78/79/59/734787959.db2.gz QVTPYSFWRFPJDJ-UHFFFAOYSA-N -1 3 362.239 2.921 20 10 FFCDHM O=C1CC[C@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CC[C@@H]2N1 ZINC000895258130 734982356 /nfs/dbraw/zinc/98/23/56/734982356.db2.gz BPENHWJONXLBNX-ZANVPECISA-N -1 3 373.678 2.909 20 10 FFCDHM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895864526 735066612 /nfs/dbraw/zinc/06/66/12/735066612.db2.gz PBVINXWJVLCVRY-KBPBESRZSA-N -1 3 372.259 2.745 20 10 FFCDHM COC(=O)c1cnc([C@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000896970384 735189970 /nfs/dbraw/zinc/18/99/70/735189970.db2.gz JPSXBQVLADIJQU-VIFPVBQESA-N -1 3 354.378 2.903 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000748051376 735611898 /nfs/dbraw/zinc/61/18/98/735611898.db2.gz SJWRBIJRLCTSFT-CQSZACIVSA-N -1 3 364.873 2.986 20 10 FFCDHM COC(=O)CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H]1CCCO1 ZINC000750047019 735767983 /nfs/dbraw/zinc/76/79/83/735767983.db2.gz LENXYSXLURRBTQ-OAHLLOKOSA-N -1 3 369.845 2.792 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928708371 738898327 /nfs/dbraw/zinc/89/83/27/738898327.db2.gz KDQSFJQQSMHRMQ-LBPRGKRZSA-N -1 3 352.406 2.795 20 10 FFCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(-n2cc(Cl)cn2)n1 ZINC000787440634 739137131 /nfs/dbraw/zinc/13/71/31/739137131.db2.gz LEDHGQOMMGRSIB-UHFFFAOYSA-N -1 3 358.785 2.570 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNc2nnc(-c3cnn(C)c3)o2)c1 ZINC000788447861 739245306 /nfs/dbraw/zinc/24/53/06/739245306.db2.gz GUUHBUAFOGCWDW-UHFFFAOYSA-N -1 3 364.203 2.859 20 10 FFCDHM COc1c(C)[nH]cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])c1=O ZINC000931326672 739245859 /nfs/dbraw/zinc/24/58/59/739245859.db2.gz UFIJPJZAGXKXQB-UHFFFAOYSA-N -1 3 364.829 2.886 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000931865221 739343314 /nfs/dbraw/zinc/34/33/14/739343314.db2.gz CTBMSZXTGYYXRA-TVQRCGJNSA-N -1 3 350.312 2.831 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000931864919 739343388 /nfs/dbraw/zinc/34/33/88/739343388.db2.gz CTBMSZXTGYYXRA-NOZJJQNGSA-N -1 3 350.312 2.831 20 10 FFCDHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790899111 739510670 /nfs/dbraw/zinc/51/06/70/739510670.db2.gz IPYJYXJZNMYGFT-RYUDHWBXSA-N -1 3 350.415 2.616 20 10 FFCDHM COc1ccc2ccc([O-])c(CN3CC(=O)N(CC(F)(F)F)C3)c2c1 ZINC000792717262 739697221 /nfs/dbraw/zinc/69/72/21/739697221.db2.gz BGRIPKSECFUJIA-UHFFFAOYSA-N -1 3 354.328 2.718 20 10 FFCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000793360667 739773240 /nfs/dbraw/zinc/77/32/40/739773240.db2.gz CKFBSNHOZZYODG-GOEBONIOSA-N -1 3 356.260 2.925 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC2CCOCC2)c1[O-] ZINC000934641529 739817732 /nfs/dbraw/zinc/81/77/32/739817732.db2.gz NNRABLODYLCKPX-QGZVFWFLSA-N -1 3 351.418 2.751 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2COC(=O)N(C)C)c1[O-] ZINC000796551659 740153240 /nfs/dbraw/zinc/15/32/40/740153240.db2.gz ZCGKAHVAIFDTQH-HNNXBMFYSA-N -1 3 352.406 2.787 20 10 FFCDHM 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ZYWYJHDAOHUDDF-FHLIZLRMSA-N -1 3 358.413 2.985 20 10 FFCDHM CC1=C(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C(=O)O[C@@H]1C ZINC001226380451 1034659951 /nfs/dbraw/zinc/65/99/51/1034659951.db2.gz VLNNRTHPCJFRKR-SNVBAGLBSA-N -1 3 350.326 2.766 20 10 FFCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Cl)C[C@@H]1CCO ZINC001140341828 1035444362 /nfs/dbraw/zinc/44/43/62/1035444362.db2.gz JEPKOYDBZZBILJ-ZDUSSCGKSA-N -1 3 370.877 2.849 20 10 FFCDHM Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140463123 1035484678 /nfs/dbraw/zinc/48/46/78/1035484678.db2.gz TXUIZAWFAAZRSG-UHFFFAOYSA-N -1 3 374.872 2.573 20 10 FFCDHM CCn1ncc2c1[C@H](COC)CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232260094 1035531943 /nfs/dbraw/zinc/53/19/43/1035531943.db2.gz OKJKTNWDJXDPLB-ZDUSSCGKSA-N -1 3 351.834 2.713 20 10 FFCDHM [O-]c1cc(O)c(CN2CCCn3cnc(Cn4cccn4)c3C2)cc1Cl ZINC001232261751 1035533042 /nfs/dbraw/zinc/53/30/42/1035533042.db2.gz NUVGOJJWZKZOPJ-UHFFFAOYSA-N -1 3 373.844 2.598 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)cc1Cl ZINC001232266427 1035538086 /nfs/dbraw/zinc/53/80/86/1035538086.db2.gz OBXXXTXOGOJSIX-STQMWFEESA-N -1 3 357.731 2.891 20 10 FFCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140581133 1035660751 /nfs/dbraw/zinc/66/07/51/1035660751.db2.gz QTJAPUPZCDNPJU-CHWSQXEVSA-N -1 3 364.417 2.936 20 10 FFCDHM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001140581174 1035661413 /nfs/dbraw/zinc/66/14/13/1035661413.db2.gz RKWOQSZCWOZPPH-YJYMSZOUSA-N -1 3 362.376 2.593 20 10 FFCDHM O=C(c1ccccc1)N1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140581408 1035661954 /nfs/dbraw/zinc/66/19/54/1035661954.db2.gz RQSNKVKNJFAAKA-HUUCEWRRSA-N -1 3 358.388 2.874 20 10 FFCDHM CCCCN1C[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277231920 1035672899 /nfs/dbraw/zinc/67/28/99/1035672899.db2.gz HVQHQQPHRSNDHB-GOSISDBHSA-N -1 3 352.862 2.649 20 10 FFCDHM CC(C)[C@H]1CN(Cc2ccc(I)cc2[O-])CCO1 ZINC001232980812 1036214648 /nfs/dbraw/zinc/21/46/48/1036214648.db2.gz WVFPZNPLWQGBRY-CQSZACIVSA-N -1 3 361.223 2.854 20 10 FFCDHM [O-]c1cc(I)ccc1CN1CCC[C@]2(CCO2)C1 ZINC001232980203 1036214421 /nfs/dbraw/zinc/21/44/21/1036214421.db2.gz NNAXDXIBGGCTKP-AWEZNQCLSA-N -1 3 359.207 2.752 20 10 FFCDHM COC(=O)[C@@]1(C)CCCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233137473 1036383676 /nfs/dbraw/zinc/38/36/76/1036383676.db2.gz OGHCKHAOWPMNRS-OAHLLOKOSA-N -1 3 358.232 2.691 20 10 FFCDHM COc1cc([O-])c(CN(C)Cc2cnc(C)nc2)cc1Br ZINC001233141559 1036391740 /nfs/dbraw/zinc/39/17/40/1036391740.db2.gz MEFVZLDREKBJLE-UHFFFAOYSA-N -1 3 352.232 2.894 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@](C)(O)[C@H](C)C2)c1 ZINC001233306400 1036512541 /nfs/dbraw/zinc/51/25/41/1036512541.db2.gz PLRBBABXXXDGGD-HWPZZCPQSA-N -1 3 372.259 2.534 20 10 FFCDHM C=CC(=O)OC[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191479 1036541184 /nfs/dbraw/zinc/54/11/84/1036541184.db2.gz AWNMLAAKGDJIAW-NSHDSACASA-N -1 3 352.342 2.664 20 10 FFCDHM COc1ccnc(O[C@H]2CCN(Cc3cccc(C(F)(F)F)c3[O-])C2)n1 ZINC001233419704 1036614078 /nfs/dbraw/zinc/61/40/78/1036614078.db2.gz JEVFYRPVXOCXNG-LBPRGKRZSA-N -1 3 369.343 2.863 20 10 FFCDHM CCOCc1nnn2c1CN(Cc1ccc(C(F)(F)F)cc1[O-])CCC2 ZINC001233453403 1036634773 /nfs/dbraw/zinc/63/47/73/1036634773.db2.gz FWRNZAOKLMYZHL-UHFFFAOYSA-N -1 3 370.375 2.945 20 10 FFCDHM O=C(c1ccccn1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233455584 1036635045 /nfs/dbraw/zinc/63/50/45/1036635045.db2.gz QUDIPRVLJDZIJL-UHFFFAOYSA-N -1 3 365.355 2.764 20 10 FFCDHM COc1ccc(OC)c(CCCNC(=O)NCc2c([O-])cccc2F)c1 ZINC001233531634 1036671629 /nfs/dbraw/zinc/67/16/29/1036671629.db2.gz HZOPCWRBWYRXOA-UHFFFAOYSA-N -1 3 362.401 2.981 20 10 FFCDHM COC(=O)C[C@@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229542849 1036731428 /nfs/dbraw/zinc/73/14/28/1036731428.db2.gz QVTSDURBBXNKEF-LLVKDONJSA-N -1 3 354.358 2.806 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001235065012 1037335409 /nfs/dbraw/zinc/33/54/09/1037335409.db2.gz LWSZHZXMLWSFBO-CQSZACIVSA-N -1 3 373.266 2.590 20 10 FFCDHM CN1C(=O)CCC12CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235073578 1037341768 /nfs/dbraw/zinc/34/17/68/1037341768.db2.gz BKSIPEZOGZJWDM-UHFFFAOYSA-N -1 3 371.250 2.881 20 10 FFCDHM CN1CCC2(CCN(Cc3cc(F)cc(Br)c3[O-])CC2)C1=O ZINC001235306208 1037463416 /nfs/dbraw/zinc/46/34/16/1037463416.db2.gz SAIOCIMXGSFXAX-UHFFFAOYSA-N -1 3 371.250 2.738 20 10 FFCDHM C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231447907 1037585585 /nfs/dbraw/zinc/58/55/85/1037585585.db2.gz YEPMPWAIWYGZQI-CQSZACIVSA-N -1 3 358.413 2.936 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c([O-])c1 ZINC001231450111 1037587626 /nfs/dbraw/zinc/58/76/26/1037587626.db2.gz MYERYZMEOLKBGJ-KRWDZBQOSA-N -1 3 361.438 2.641 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c([O-])c1 ZINC001231452881 1037594021 /nfs/dbraw/zinc/59/40/21/1037594021.db2.gz WBTVVSLJWPLGHV-UHFFFAOYSA-N -1 3 360.454 2.705 20 10 FFCDHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001207699842 1037664514 /nfs/dbraw/zinc/66/45/14/1037664514.db2.gz IZWSARRRKCFVDO-GOSISDBHSA-N -1 3 370.877 2.897 20 10 FFCDHM CCn1nnc2c1CCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H]2COC ZINC001231867003 1037961760 /nfs/dbraw/zinc/96/17/60/1037961760.db2.gz GHLZITYKXVWLGS-OAHLLOKOSA-N -1 3 350.850 2.711 20 10 FFCDHM CCOC[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2cnn(C)c21 ZINC001236797322 1038276766 /nfs/dbraw/zinc/27/67/66/1038276766.db2.gz LVLLCXZXAIDNOR-CYBMUJFWSA-N -1 3 365.861 2.924 20 10 FFCDHM CC(C)N(C)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251416112 1039119407 /nfs/dbraw/zinc/11/94/07/1039119407.db2.gz ZVOXZJLSIYGVQS-NSHDSACASA-N -1 3 367.298 2.802 20 10 FFCDHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001262110060 1041563826 /nfs/dbraw/zinc/56/38/26/1041563826.db2.gz PJIXFEOOTBIENW-LLVKDONJSA-N -1 3 350.369 2.732 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOC2(CCC2)C1 ZINC001262926536 1041967533 /nfs/dbraw/zinc/96/75/33/1041967533.db2.gz HYWCASYXJYTFLK-UHFFFAOYSA-N -1 3 357.439 2.557 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3cnccn3)CC2)cc1Br ZINC001237678405 1043307031 /nfs/dbraw/zinc/30/70/31/1043307031.db2.gz YOLHSIVZNNUYDF-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM C[C@@H]1CN(Cc2cccc(I)c2[O-])CC[C@@]1(C)O ZINC001237775058 1043351225 /nfs/dbraw/zinc/35/12/25/1043351225.db2.gz BUCREQYEOSJRER-QMTHXVAHSA-N -1 3 361.223 2.590 20 10 FFCDHM [O-]c1c(I)cccc1CN1CC2(C1)CCOCC2 ZINC001237778908 1043352818 /nfs/dbraw/zinc/35/28/18/1043352818.db2.gz IBHZGXBRLIMCGI-UHFFFAOYSA-N -1 3 359.207 2.609 20 10 FFCDHM CCc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001309594640 1043447828 /nfs/dbraw/zinc/44/78/28/1043447828.db2.gz GAJYBLBYGOHHPE-CYBMUJFWSA-N -1 3 367.540 2.989 20 10 FFCDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001539187658 1070583370 /nfs/dbraw/zinc/58/33/70/1070583370.db2.gz FZAWHQPLXWQVRD-UHFFFAOYSA-N -1 3 353.422 2.855 20 10 FFCDHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001322140569 1045965889 /nfs/dbraw/zinc/96/58/89/1045965889.db2.gz IQAWVUPMKWCRKS-UHFFFAOYSA-N -1 3 367.405 2.951 20 10 FFCDHM COC(=O)CN(Cc1cccc(F)c1N)Cc1cc(Cl)ccc1[O-] ZINC001308627937 1052479392 /nfs/dbraw/zinc/47/93/92/1052479392.db2.gz NDDWCJLKULXCST-UHFFFAOYSA-N -1 3 352.793 2.942 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)Cc1cnn(C)c1 ZINC001521587130 1060993084 /nfs/dbraw/zinc/99/30/84/1060993084.db2.gz FKVUCNZRWUMBHB-UHFFFAOYSA-N -1 3 369.454 2.650 20 10 FFCDHM C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575297158 1078127062 /nfs/dbraw/zinc/12/70/62/1078127062.db2.gz FNCKKRRBLMBWMR-JTQLQIEISA-N -1 3 372.816 2.786 20 10 FFCDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)cc1F ZINC001561725496 1076413745 /nfs/dbraw/zinc/41/37/45/1076413745.db2.gz ZRSMHFVVGYZRNZ-UHFFFAOYSA-N -1 3 363.769 2.811 20 10 FFCDHM CCc1c(NC(=O)c2ccc(C)c(O)c2[O-])nnn1Cc1ccc(F)cc1 ZINC001570069321 1077180763 /nfs/dbraw/zinc/18/07/63/1077180763.db2.gz WVCVCTKQSGAIJW-UHFFFAOYSA-N -1 3 370.384 3.000 20 10 FFCDHM CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589052815 1080327639 /nfs/dbraw/zinc/32/76/39/1080327639.db2.gz SEWWRGSQEZFYJH-UHFFFAOYSA-N -1 3 371.828 2.820 20 10 FFCDHM C[C@@H]([NH2+][C@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955867 1080901942 /nfs/dbraw/zinc/90/19/42/1080901942.db2.gz NDYKXJQSJJUGDK-HWPZZCPQSA-N -1 3 366.381 2.819 20 10 FFCDHM C[C@@H]([NH2+][C@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955867 1080901948 /nfs/dbraw/zinc/90/19/48/1080901948.db2.gz NDYKXJQSJJUGDK-HWPZZCPQSA-N -1 3 366.381 2.819 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589958460 1080902835 /nfs/dbraw/zinc/90/28/35/1080902835.db2.gz YTVCBVQILMKTKL-GXTWGEPZSA-N -1 3 368.416 2.641 20 10 FFCDHM C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974434 1080915177 /nfs/dbraw/zinc/91/51/77/1080915177.db2.gz VRCBPFGUBVIQRJ-ZUZCIYMTSA-N -1 3 355.373 2.886 20 10 FFCDHM C[C@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978123 1080916301 /nfs/dbraw/zinc/91/63/01/1080916301.db2.gz KSZMUFICUARUKA-ZDUSSCGKSA-N -1 3 373.457 2.546 20 10 FFCDHM CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109769417 507986240 /nfs/dbraw/zinc/98/62/40/507986240.db2.gz RCGQNSNBARQAKX-UHFFFAOYSA-N -1 3 369.465 2.945 20 10 FFCDHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092762140 508100304 /nfs/dbraw/zinc/10/03/04/508100304.db2.gz BPVQQLJFEHATBJ-SWLSCSKDSA-N -1 3 354.472 2.805 20 10 FFCDHM C[C@H]1c2ccccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094123287 508169767 /nfs/dbraw/zinc/16/97/67/508169767.db2.gz TUSVCHZEWSYDKA-LBPRGKRZSA-N -1 3 360.435 2.523 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCN1C(C)=O ZINC000137251290 508746906 /nfs/dbraw/zinc/74/69/06/508746906.db2.gz YJPLCHXADFZEEZ-CQSZACIVSA-N -1 3 369.259 2.514 20 10 FFCDHM CN(CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1[O-] ZINC000264674365 509637609 /nfs/dbraw/zinc/63/76/09/509637609.db2.gz ABPLVPMBPXMLFD-UHFFFAOYSA-N -1 3 355.463 2.793 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000186967938 509979845 /nfs/dbraw/zinc/97/98/45/509979845.db2.gz ZGTVVXCPPMDODD-UHFFFAOYSA-N -1 3 368.220 2.762 20 10 FFCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191370207 510626411 /nfs/dbraw/zinc/62/64/11/510626411.db2.gz GRDOXEKCBBVYAD-MRXNPFEDSA-N -1 3 353.825 2.864 20 10 FFCDHM Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c([O-])c1O ZINC000181851751 510626402 /nfs/dbraw/zinc/62/64/02/510626402.db2.gz CESTWOFQIYCSLV-UHFFFAOYSA-N -1 3 372.396 2.534 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCn1ccnc1 ZINC000266511876 510631389 /nfs/dbraw/zinc/63/13/89/510631389.db2.gz HZRBPCUBOKWSIF-UHFFFAOYSA-N -1 3 352.232 2.790 20 10 FFCDHM CC(C)COCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277422197 510961946 /nfs/dbraw/zinc/96/19/46/510961946.db2.gz PFGXOBCVMQDRLY-UHFFFAOYSA-N -1 3 354.834 2.873 20 10 FFCDHM COCCOc1ccccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278844682 511009058 /nfs/dbraw/zinc/00/90/58/511009058.db2.gz KJBYTSXZEMQQEM-UHFFFAOYSA-N -1 3 362.382 2.624 20 10 FFCDHM COc1c([O-])c(CN(C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278917847 511014714 /nfs/dbraw/zinc/01/47/14/511014714.db2.gz ULQOFPGHASEHTJ-UHFFFAOYSA-N -1 3 374.319 2.693 20 10 FFCDHM COc1c([O-])c(CNCc2ccnc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000290185650 511129180 /nfs/dbraw/zinc/12/91/80/511129180.db2.gz OELDKLKJWZTONU-UHFFFAOYSA-N -1 3 358.398 2.594 20 10 FFCDHM CC(=O)N1CCN(c2cccc(NC(=O)c3cc([O-])ccc3Cl)c2)CC1 ZINC000290771109 511150744 /nfs/dbraw/zinc/15/07/44/511150744.db2.gz PTQSGQHZTSHDGB-UHFFFAOYSA-N -1 3 373.840 2.966 20 10 FFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291060757 511158238 /nfs/dbraw/zinc/15/82/38/511158238.db2.gz PGMXISNNKLHKKG-LBPRGKRZSA-N -1 3 355.394 2.509 20 10 FFCDHM COc1cc(Cl)cc(CN[C@@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000295141737 511296878 /nfs/dbraw/zinc/29/68/78/511296878.db2.gz ZUWHQKUMVSXVKT-HNNXBMFYSA-N -1 3 353.850 2.637 20 10 FFCDHM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273213735 511520734 /nfs/dbraw/zinc/52/07/34/511520734.db2.gz KCVPZYKPPMYPQO-UHFFFAOYSA-N -1 3 354.435 2.850 20 10 FFCDHM C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000273427544 511526013 /nfs/dbraw/zinc/52/60/13/511526013.db2.gz UQCNGAILAYOIIX-CQSZACIVSA-N -1 3 358.413 2.855 20 10 FFCDHM Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1[O-] ZINC000285128558 512010180 /nfs/dbraw/zinc/01/01/80/512010180.db2.gz OCBAPBZFYFYNRC-INIZCTEOSA-N -1 3 372.469 2.920 20 10 FFCDHM CCOC(=O)[C@H](F)C1CN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000293793309 512086235 /nfs/dbraw/zinc/08/62/35/512086235.db2.gz CQGWQFNQUUXHAS-CYBMUJFWSA-N -1 3 360.223 2.796 20 10 FFCDHM Cc1nnsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364339758 512092293 /nfs/dbraw/zinc/09/22/93/512092293.db2.gz PLFDYJSDUCPAKF-ZDUSSCGKSA-N -1 3 366.874 2.600 20 10 FFCDHM Cc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c([O-])c1O ZINC000371666950 512517974 /nfs/dbraw/zinc/51/79/74/512517974.db2.gz XZXFBSRHVRWFLR-QGZVFWFLSA-N -1 3 366.417 2.994 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@@]3(CCCOC3)C2)c1[O-] ZINC000367660170 512604082 /nfs/dbraw/zinc/60/40/82/512604082.db2.gz YOVPSLVJHAZKIX-INIZCTEOSA-N -1 3 372.259 2.545 20 10 FFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738103270 598914650 /nfs/dbraw/zinc/91/46/50/598914650.db2.gz GWSMZGRBXIHNEJ-UHFFFAOYSA-N -1 3 361.409 2.565 20 10 FFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738103270 598914651 /nfs/dbraw/zinc/91/46/51/598914651.db2.gz GWSMZGRBXIHNEJ-UHFFFAOYSA-N -1 3 361.409 2.565 20 10 FFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000826249011 607663905 /nfs/dbraw/zinc/66/39/05/607663905.db2.gz HNWYFNDZZGHJKC-UHFFFAOYSA-N -1 3 362.437 2.705 20 10 FFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000826249011 607663907 /nfs/dbraw/zinc/66/39/07/607663907.db2.gz HNWYFNDZZGHJKC-UHFFFAOYSA-N -1 3 362.437 2.705 20 10 FFCDHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717477 604287151 /nfs/dbraw/zinc/28/71/51/604287151.db2.gz ILXGFUSGTDETOJ-UONOGXRCSA-N -1 3 367.877 2.970 20 10 FFCDHM C[C@@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480397 604316234 /nfs/dbraw/zinc/31/62/34/604316234.db2.gz XINYOODOOQRCDO-OLZOCXBDSA-N -1 3 353.850 2.580 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1[O-] ZINC000833898803 605991056 /nfs/dbraw/zinc/99/10/56/605991056.db2.gz WFLGODKDUUDJOS-LLVKDONJSA-N -1 3 357.248 2.895 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1[O-] ZINC000833898803 605991058 /nfs/dbraw/zinc/99/10/58/605991058.db2.gz WFLGODKDUUDJOS-LLVKDONJSA-N -1 3 357.248 2.895 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821198865 606572063 /nfs/dbraw/zinc/57/20/63/606572063.db2.gz XADFVROHPUQRMP-UHFFFAOYSA-N -1 3 374.445 2.844 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821198865 606572064 /nfs/dbraw/zinc/57/20/64/606572064.db2.gz XADFVROHPUQRMP-UHFFFAOYSA-N -1 3 374.445 2.844 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821109837 606594469 /nfs/dbraw/zinc/59/44/69/606594469.db2.gz QRLSKISCSSGTKV-UHFFFAOYSA-N -1 3 351.410 2.554 20 10 FFCDHM CCCN(Cc1ccccc1O)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821109837 606594470 /nfs/dbraw/zinc/59/44/70/606594470.db2.gz QRLSKISCSSGTKV-UHFFFAOYSA-N -1 3 351.410 2.554 20 10 FFCDHM Cc1cc(C(=O)N2CC(C(F)F)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257544 608187230 /nfs/dbraw/zinc/18/72/30/608187230.db2.gz GXWRWZCGWBYHKS-UHFFFAOYSA-N -1 3 372.379 2.611 20 10 FFCDHM CC(C)C1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000160474073 728922540 /nfs/dbraw/zinc/92/25/40/728922540.db2.gz DIBZIMWQOJOYFM-UHFFFAOYSA-N -1 3 354.472 2.708 20 10 FFCDHM N=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2[O-])N1 ZINC000054681268 728090643 /nfs/dbraw/zinc/09/06/43/728090643.db2.gz SKGQAVUQNZHGSE-ZDUSSCGKSA-N -1 3 358.199 2.601 20 10 FFCDHM Cc1cccc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000094157814 728479783 /nfs/dbraw/zinc/47/97/83/728479783.db2.gz VYTQQANDCRDESK-UHFFFAOYSA-N -1 3 362.451 2.737 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000185401385 729348822 /nfs/dbraw/zinc/34/88/22/729348822.db2.gz WWWPDNVOAPJYGT-UHFFFAOYSA-N -1 3 370.377 2.631 20 10 FFCDHM O=S(=O)([N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1 ZINC000188729664 729391217 /nfs/dbraw/zinc/39/12/17/729391217.db2.gz ZCCCMJTWRBNMCB-GFCCVEGCSA-N -1 3 372.393 2.828 20 10 FFCDHM NC(=O)c1cc(F)ccc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000857067774 730377179 /nfs/dbraw/zinc/37/71/79/730377179.db2.gz QNAUIKOOUARWEJ-UHFFFAOYSA-N -1 3 363.820 2.606 20 10 FFCDHM C[C@H]1OCC[C@]12CN(Cc1c([O-])cccc1Br)C[C@@H](C)O2 ZINC000862351094 730690470 /nfs/dbraw/zinc/69/04/70/730690470.db2.gz GMDQTFISNLASAX-HSMVNMDESA-N -1 3 356.260 2.923 20 10 FFCDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000863407406 730777489 /nfs/dbraw/zinc/77/74/89/730777489.db2.gz QCSTWSNPMZPYRM-CQSZACIVSA-N -1 3 357.378 2.670 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)c([O-])c1O ZINC000770469790 737630121 /nfs/dbraw/zinc/63/01/21/737630121.db2.gz VAAWJUOWHZXMMT-UHFFFAOYSA-N -1 3 356.407 2.938 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3cnn(C)c3)CC2)c1 ZINC000781907111 738670961 /nfs/dbraw/zinc/67/09/61/738670961.db2.gz DAIRUEINPZHNMD-UHFFFAOYSA-N -1 3 365.275 2.519 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)C3CC3)CC2)c1 ZINC000781894699 738668927 /nfs/dbraw/zinc/66/89/27/738668927.db2.gz LGNVMKFVNQWTTQ-UHFFFAOYSA-N -1 3 367.287 2.954 20 10 FFCDHM [O-]c1ccc(Br)cc1CNCc1n[nH]cc1Br ZINC000718208015 734376266 /nfs/dbraw/zinc/37/62/66/734376266.db2.gz LBAAMVPYUIDCHG-UHFFFAOYSA-N -1 3 361.037 2.930 20 10 FFCDHM Cn1cnnc1C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893958980 734777883 /nfs/dbraw/zinc/77/78/83/734777883.db2.gz HBZBOOJJSGMFJR-UHFFFAOYSA-N -1 3 369.238 2.802 20 10 FFCDHM CC(=O)N1C[C@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])C[C@H]2C1 ZINC000895577000 735026098 /nfs/dbraw/zinc/02/60/98/735026098.db2.gz UEKOQAOZIGUHGL-TXEJJXNPSA-N -1 3 373.678 2.718 20 10 FFCDHM C[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000749967588 735763748 /nfs/dbraw/zinc/76/37/48/735763748.db2.gz WFBKENDDTKTCLO-CYBMUJFWSA-N -1 3 362.451 2.687 20 10 FFCDHM CCC(CC)C(=O)N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000750816945 735817362 /nfs/dbraw/zinc/81/73/62/735817362.db2.gz DMAKTHNHEFKZCO-UHFFFAOYSA-N -1 3 350.434 2.814 20 10 FFCDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000756362219 736325477 /nfs/dbraw/zinc/32/54/77/736325477.db2.gz ONFMGCPKGXBQQV-INIZCTEOSA-N -1 3 350.415 2.639 20 10 FFCDHM C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756393681 736327244 /nfs/dbraw/zinc/32/72/44/736327244.db2.gz SFRNYUDLHKKVPR-NSHDSACASA-N -1 3 370.421 2.772 20 10 FFCDHM Cc1nnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000758357558 736479125 /nfs/dbraw/zinc/47/91/25/736479125.db2.gz UIZKYNGVUCNJFY-CYBMUJFWSA-N -1 3 366.874 2.600 20 10 FFCDHM O=C1CN(Cc2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000770383523 737621064 /nfs/dbraw/zinc/62/10/64/737621064.db2.gz VXGBBRRZBNWHDL-UHFFFAOYSA-N -1 3 361.239 2.957 20 10 FFCDHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773087797 737869997 /nfs/dbraw/zinc/86/99/97/737869997.db2.gz KUINVWWSZHNPDO-LLVKDONJSA-N -1 3 367.402 2.839 20 10 FFCDHM Cc1nc(CN2CCC(C(=O)NCc3c([O-])cccc3F)CC2)cs1 ZINC000928712092 738898648 /nfs/dbraw/zinc/89/86/48/738898648.db2.gz ONMQXQKNCMWEIJ-UHFFFAOYSA-N -1 3 363.458 2.825 20 10 FFCDHM COc1nc(Br)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000789878697 739393476 /nfs/dbraw/zinc/39/34/76/739393476.db2.gz RWQPFEHIUJKVGM-UHFFFAOYSA-N -1 3 353.172 2.825 20 10 FFCDHM CS(=O)(=O)Nc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790950382 739517948 /nfs/dbraw/zinc/51/79/48/739517948.db2.gz YKFLNPZOTIXDDY-UHFFFAOYSA-N -1 3 358.822 2.846 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360832 739773343 /nfs/dbraw/zinc/77/33/43/739773343.db2.gz ACSHLLKKSITLTO-MLGOLLRUSA-N -1 3 356.260 2.843 20 10 FFCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793365334 739774378 /nfs/dbraw/zinc/77/43/78/739774378.db2.gz KMEGGSPLBJWGRC-INIZCTEOSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)[C@@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000795343142 740006902 /nfs/dbraw/zinc/00/69/02/740006902.db2.gz GXXXGQRMVURFGQ-ZDUSSCGKSA-N -1 3 369.826 2.744 20 10 FFCDHM COc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1O ZINC000797820140 740276276 /nfs/dbraw/zinc/27/62/76/740276276.db2.gz IEUDTENYBZWYCW-UHFFFAOYSA-N -1 3 359.350 2.846 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1F ZINC000807106731 741111191 /nfs/dbraw/zinc/11/11/91/741111191.db2.gz AHLDDNWAUODKBS-AWEZNQCLSA-N -1 3 363.820 2.974 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000812776091 741651072 /nfs/dbraw/zinc/65/10/72/741651072.db2.gz RIXKDFSMBUVJQB-NSHDSACASA-N -1 3 350.203 2.913 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(Br)cc1[O-] ZINC000825650894 743306412 /nfs/dbraw/zinc/30/64/12/743306412.db2.gz AMRRVONPBRHLIS-YVLXSGLVSA-N -1 3 354.244 2.928 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncccc1F ZINC000830543704 745378232 /nfs/dbraw/zinc/37/82/32/745378232.db2.gz BXRZYSLABQSEBT-AWEZNQCLSA-N -1 3 363.820 2.974 20 10 FFCDHM O=S1(=O)C[C@H](CNCc2c([O-])ccc(Cl)c2F)Oc2ccccc21 ZINC000842724041 747669915 /nfs/dbraw/zinc/66/99/15/747669915.db2.gz NKLNWDMRQUPHME-JTQLQIEISA-N -1 3 371.817 2.509 20 10 FFCDHM C[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1[O-] ZINC000848560323 748960618 /nfs/dbraw/zinc/96/06/18/748960618.db2.gz CKTGWSBESHKUGG-VIFPVBQESA-N -1 3 354.252 2.747 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](CN3CCCC3=O)C2)c1[O-] ZINC000852680867 749924151 /nfs/dbraw/zinc/92/41/51/749924151.db2.gz BBVDNLQQYXPKSA-ZDUSSCGKSA-N -1 3 350.846 2.693 20 10 FFCDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)c(OC)c1 ZINC000821690214 945818059 /nfs/dbraw/zinc/81/80/59/945818059.db2.gz AHZYQXOEHVKHLE-UHFFFAOYSA-N -1 3 369.425 2.537 20 10 FFCDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000821690214 945818067 /nfs/dbraw/zinc/81/80/67/945818067.db2.gz AHZYQXOEHVKHLE-UHFFFAOYSA-N -1 3 369.425 2.537 20 10 FFCDHM COc1c([O-])c(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)ccc1[N+](=O)[O-] ZINC000896795376 971712473 /nfs/dbraw/zinc/71/24/73/971712473.db2.gz SXDFRDLEUSYWGQ-HOTGVXAUSA-N -1 3 355.394 2.772 20 10 FFCDHM Cc1cc(C[C@H](C)NC(=O)c2cccc(O)c2[O-])n(-c2ccccc2)n1 ZINC000193143426 971767512 /nfs/dbraw/zinc/76/75/12/971767512.db2.gz IDUXIXQUSGMTAE-ZDUSSCGKSA-N -1 3 351.406 2.953 20 10 FFCDHM C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cccc(O)c1[O-] ZINC000773436382 1013362917 /nfs/dbraw/zinc/36/29/17/1013362917.db2.gz FPORJRQORSRXDC-AWEZNQCLSA-N -1 3 363.417 2.997 20 10 FFCDHM O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3cc(F)ccc3[O-])C[C@@]12F ZINC001276064724 1013394401 /nfs/dbraw/zinc/39/44/01/1013394401.db2.gz VUUDMTQEULFXKC-ZWKOTPCHSA-N -1 3 354.372 2.548 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1[O-] ZINC001176753503 1013774315 /nfs/dbraw/zinc/77/43/15/1013774315.db2.gz LQVWUZIQOHJNKI-CVEARBPZSA-N -1 3 364.417 2.928 20 10 FFCDHM CC[C@@H](C)N1CC[C@@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271433875 972993532 /nfs/dbraw/zinc/99/35/32/972993532.db2.gz PHIWZYPVPILTTI-VLIAUNLRSA-N -1 3 360.454 2.741 20 10 FFCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2F)C[C@H](C)O1 ZINC000917708011 990263883 /nfs/dbraw/zinc/26/38/83/990263883.db2.gz AXDBZIQATKWHSQ-BETUJISGSA-N -1 3 374.412 2.781 20 10 FFCDHM O=C1CCC[C@@H]2CN(Cc3cccc(I)c3[O-])C[C@@H]12 ZINC001237785097 992720544 /nfs/dbraw/zinc/72/05/44/992720544.db2.gz CBRCENUJEGSTQF-ZYHUDNBSSA-N -1 3 371.218 2.798 20 10 FFCDHM C[C@H](NCc1cccnc1OCC(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593302902 994730807 /nfs/dbraw/zinc/73/08/07/994730807.db2.gz BHANAVUWGHVGFJ-JTQLQIEISA-N -1 3 352.337 2.980 20 10 FFCDHM COc1cc(C)cc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)c1O ZINC001599392818 997070282 /nfs/dbraw/zinc/07/02/82/997070282.db2.gz TYQIAPHRRMBYPH-UHFFFAOYSA-N -1 3 362.451 2.791 20 10 FFCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1[O-] ZINC001599420409 997584148 /nfs/dbraw/zinc/58/41/48/997584148.db2.gz GOGQWFJTFKOHOO-SFHVURJKSA-N -1 3 369.845 2.636 20 10 FFCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1[O-] ZINC001599420409 997584159 /nfs/dbraw/zinc/58/41/59/997584159.db2.gz GOGQWFJTFKOHOO-SFHVURJKSA-N -1 3 369.845 2.636 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC001148213450 1001067768 /nfs/dbraw/zinc/06/77/68/1001067768.db2.gz BDBRCPQIRTYQOW-UHFFFAOYSA-N -1 3 367.380 2.868 20 10 FFCDHM CCOC(=O)c1sc(NC(=O)c2cc(O)c([O-])c(O)c2)nc1C1CC1 ZINC001148583044 1001174233 /nfs/dbraw/zinc/17/42/33/1001174233.db2.gz QKYWLNSYPBRXMQ-UHFFFAOYSA-N -1 3 364.379 2.566 20 10 FFCDHM CCN1CCN(Cc2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000789957896 1002238065 /nfs/dbraw/zinc/23/80/65/1002238065.db2.gz ZEKQKBFWPZMCHN-UHFFFAOYSA-N -1 3 373.428 2.627 20 10 FFCDHM COc1c([O-])c(CN(C)C[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774821324 1002808139 /nfs/dbraw/zinc/80/81/39/1002808139.db2.gz BULLOGIVOXWHMT-ZDUSSCGKSA-N -1 3 360.366 2.581 20 10 FFCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774910430 1003011772 /nfs/dbraw/zinc/01/17/72/1003011772.db2.gz XUUVEBJLHIWGAI-CABCVRRESA-N -1 3 365.430 2.530 20 10 FFCDHM CCOC(=O)COc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001196955917 1004023159 /nfs/dbraw/zinc/02/31/59/1004023159.db2.gz DATWWDNFXKRGLO-UHFFFAOYSA-N -1 3 362.357 2.795 20 10 FFCDHM CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnn[n-]3)c2C)c1 ZINC000805604495 1004055490 /nfs/dbraw/zinc/05/54/90/1004055490.db2.gz LFLCYUGSDALXEE-UHFFFAOYSA-N -1 3 370.434 2.974 20 10 FFCDHM CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3c[n-]nn3)c2C)c1 ZINC000805604495 1004055500 /nfs/dbraw/zinc/05/55/00/1004055500.db2.gz LFLCYUGSDALXEE-UHFFFAOYSA-N -1 3 370.434 2.974 20 10 FFCDHM Cc1nc2ncccn2c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001198747847 1004722044 /nfs/dbraw/zinc/72/20/44/1004722044.db2.gz CAOPNERIAAQNKS-UHFFFAOYSA-N -1 3 367.796 2.875 20 10 FFCDHM C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1)n1cccn1 ZINC000776329718 1005367262 /nfs/dbraw/zinc/36/72/62/1005367262.db2.gz DQUYHSVIJAFNGV-LBPRGKRZSA-N -1 3 366.377 2.746 20 10 FFCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000776345150 1005380624 /nfs/dbraw/zinc/38/06/24/1005380624.db2.gz NTBBLMVRGSGIAC-QWHCGFSZSA-N -1 3 355.394 2.756 20 10 FFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152457293 1032170555 /nfs/dbraw/zinc/17/05/55/1032170555.db2.gz VFTRDXFIWDDBHO-UHFFFAOYSA-N -1 3 351.406 2.550 20 10 FFCDHM COC(=O)c1ccccc1CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000816842241 1007215918 /nfs/dbraw/zinc/21/59/18/1007215918.db2.gz JDQDKPONKYIZCA-UHFFFAOYSA-N -1 3 369.417 2.979 20 10 FFCDHM Cc1cccc([O-])c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000859734127 1008638314 /nfs/dbraw/zinc/63/83/14/1008638314.db2.gz LFVCNYSDACUTNH-UHFFFAOYSA-N -1 3 358.413 2.731 20 10 FFCDHM COc1ccc(CN2CC[C@H](N[C@@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886547723 1008731611 /nfs/dbraw/zinc/73/16/11/1008731611.db2.gz QMJOBQWEJZDMRE-GUYCJALGSA-N -1 3 358.413 2.992 20 10 FFCDHM C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1c([O-])cccc1F ZINC000886582694 1008752331 /nfs/dbraw/zinc/75/23/31/1008752331.db2.gz HGRIKBHHGMXNPO-CQSZACIVSA-N -1 3 373.428 2.975 20 10 FFCDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC001136661944 1008872155 /nfs/dbraw/zinc/87/21/55/1008872155.db2.gz VXKHFZSNZJGGBD-UHFFFAOYSA-N -1 3 363.464 2.885 20 10 FFCDHM COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])Cc2ccccc21 ZINC000862537704 1009869743 /nfs/dbraw/zinc/86/97/43/1009869743.db2.gz FMDJHEQGUSKBSB-OAHLLOKOSA-N -1 3 372.377 2.581 20 10 FFCDHM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)ccc1[O-] ZINC001275248881 1012140048 /nfs/dbraw/zinc/14/00/48/1012140048.db2.gz UIENUGLWEPPNCW-BFUOFWGJSA-N 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ZINC001156169979 1029074530 /nfs/dbraw/zinc/07/45/30/1029074530.db2.gz AMXQXDOYTOZBNW-UHFFFAOYSA-N -1 3 364.377 2.542 20 10 FFCDHM O=C1CC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC(=O)N1 ZINC001203581897 1030772867 /nfs/dbraw/zinc/77/28/67/1030772867.db2.gz DGHBLSKDRHMDHQ-UHFFFAOYSA-N -1 3 357.237 2.718 20 10 FFCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nnn(CC)c21 ZINC001203655888 1030804168 /nfs/dbraw/zinc/80/41/68/1030804168.db2.gz DCRUFLMFKSNNIG-CYBMUJFWSA-N -1 3 350.850 2.793 20 10 FFCDHM O=C(C1CCC1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203645858 1030804624 /nfs/dbraw/zinc/80/46/24/1030804624.db2.gz UQIOZGMCMWDOSX-UHFFFAOYSA-N -1 3 353.260 2.599 20 10 FFCDHM CCOc1ccc(N2CCN(C(=O)c3c([O-])cccc3OC)CC2)cc1 ZINC001151503333 1031972475 /nfs/dbraw/zinc/97/24/75/1031972475.db2.gz PZQBXDLPUHABFC-UHFFFAOYSA-N -1 3 356.422 2.762 20 10 FFCDHM CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1cccc(F)c1[O-] ZINC001138131132 1033817859 /nfs/dbraw/zinc/81/78/59/1033817859.db2.gz RKZIOQZXCZPCLI-GJZGRUSLSA-N -1 3 354.422 2.597 20 10 FFCDHM C[C@@H](CN(C)C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227034050 1034915809 /nfs/dbraw/zinc/91/58/09/1034915809.db2.gz VLZQXEKQHJHVKZ-NSHDSACASA-N -1 3 371.389 2.906 20 10 FFCDHM Cc1ccc2c(n1)N(C)CCN(Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139126043 1034956997 /nfs/dbraw/zinc/95/69/97/1034956997.db2.gz UTYZCBBBIOIHEG-UHFFFAOYSA-N -1 3 365.433 2.962 20 10 FFCDHM COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000834608136 1035416597 /nfs/dbraw/zinc/41/65/97/1035416597.db2.gz GWHADOSBDZUXHJ-CYBMUJFWSA-N -1 3 370.405 2.597 20 10 FFCDHM CO[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001140468417 1035486088 /nfs/dbraw/zinc/48/60/88/1035486088.db2.gz JWMOJUURHMBVRN-DZGCQCFKSA-N -1 3 356.850 2.770 20 10 FFCDHM COc1cc([O-])c(CN2CCn3c(nnc3C(F)(F)F)C2)cc1Cl ZINC001232265826 1035538061 /nfs/dbraw/zinc/53/80/61/1035538061.db2.gz FXTAAINIPPDEIC-UHFFFAOYSA-N -1 3 362.739 2.680 20 10 FFCDHM Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2c([O-])cc(F)cc2F)n1 ZINC001140581709 1035660952 /nfs/dbraw/zinc/66/09/52/1035660952.db2.gz YIAGNTVUUINMJN-ZWKOTPCHSA-N -1 3 373.403 2.749 20 10 FFCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCOCC3)c2)nc1C ZINC001232450112 1035694276 /nfs/dbraw/zinc/69/42/76/1035694276.db2.gz BDIKBQIUDMPMIT-UHFFFAOYSA-N -1 3 362.451 2.833 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCC[C@](C)(O)C2)c1 ZINC001233306008 1036510623 /nfs/dbraw/zinc/51/06/23/1036510623.db2.gz BNTYYYZZJSEHQX-INIZCTEOSA-N -1 3 372.259 2.678 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@](C)(O)[C@@H](C)C2)c1 ZINC001233306402 1036512505 /nfs/dbraw/zinc/51/25/05/1036512505.db2.gz PLRBBABXXXDGGD-QFYYESIMSA-N -1 3 372.259 2.534 20 10 FFCDHM CCOC(=O)c1nc2c(s1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332565 1036539120 /nfs/dbraw/zinc/53/91/20/1036539120.db2.gz PFAXXVYFIPEWMC-UHFFFAOYSA-N -1 3 368.405 2.904 20 10 FFCDHM [O-]c1ccc(F)c(F)c1CN1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001233333417 1036539221 /nfs/dbraw/zinc/53/92/21/1036539221.db2.gz VBANJVWASYJIGT-ZDUSSCGKSA-N -1 3 361.392 2.999 20 10 FFCDHM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335340 1036541075 /nfs/dbraw/zinc/54/10/75/1036541075.db2.gz QRTDPLNIWICCMT-LBPRGKRZSA-N -1 3 356.413 2.566 20 10 FFCDHM CC[C@@H](CC(=O)OC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192850 1036543225 /nfs/dbraw/zinc/54/32/25/1036543225.db2.gz VUEUTXOPMOQZEG-NSHDSACASA-N -1 3 354.358 2.888 20 10 FFCDHM O=C([C@@H]1CCCCN1Cc1cccc(C(F)(F)F)c1[O-])N1CCOCC1 ZINC001233418633 1036611524 /nfs/dbraw/zinc/61/15/24/1036611524.db2.gz PEIXCYIQDLFJCA-HNNXBMFYSA-N -1 3 372.387 2.624 20 10 FFCDHM O=C(N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1)C(F)(F)F ZINC001233452293 1036633975 /nfs/dbraw/zinc/63/39/75/1036633975.db2.gz QSSPATJLYJVJFF-UHFFFAOYSA-N -1 3 356.266 2.618 20 10 FFCDHM CC[C@@H](Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O)C(=O)OC ZINC001229540999 1036730365 /nfs/dbraw/zinc/73/03/65/1036730365.db2.gz FTNRLOYVCKFILK-CQSZACIVSA-N -1 3 354.358 2.806 20 10 FFCDHM C[N@@H+]1CCC[C@H](Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)CC1 ZINC001234750153 1037166610 /nfs/dbraw/zinc/16/66/10/1037166610.db2.gz ZPJLTEUTTQMWJH-LBPRGKRZSA-N -1 3 371.389 2.926 20 10 FFCDHM C[N@H+]1CCC[C@H](Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)CC1 ZINC001234750153 1037166620 /nfs/dbraw/zinc/16/66/20/1037166620.db2.gz ZPJLTEUTTQMWJH-LBPRGKRZSA-N -1 3 371.389 2.926 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@H]21 ZINC001231450784 1037589263 /nfs/dbraw/zinc/58/92/63/1037589263.db2.gz UWYFFAMCXGALCD-HUUCEWRRSA-N -1 3 362.426 2.532 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@H]21 ZINC001231450784 1037589273 /nfs/dbraw/zinc/58/92/73/1037589273.db2.gz UWYFFAMCXGALCD-HUUCEWRRSA-N -1 3 362.426 2.532 20 10 FFCDHM CC1(C)[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001231455079 1037596890 /nfs/dbraw/zinc/59/68/90/1037596890.db2.gz WBBKTAGHZOCTQE-OAQYLSRUSA-N -1 3 367.401 2.932 20 10 FFCDHM CC1(C)[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001231455079 1037596901 /nfs/dbraw/zinc/59/69/01/1037596901.db2.gz WBBKTAGHZOCTQE-OAQYLSRUSA-N -1 3 367.401 2.932 20 10 FFCDHM C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565844 1037689394 /nfs/dbraw/zinc/68/93/94/1037689394.db2.gz LGNDUHXOOUJBSQ-UHFFFAOYSA-N -1 3 352.431 2.827 20 10 FFCDHM C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565844 1037689399 /nfs/dbraw/zinc/68/93/99/1037689399.db2.gz LGNDUHXOOUJBSQ-UHFFFAOYSA-N -1 3 352.431 2.827 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1Cl ZINC001231870654 1037967458 /nfs/dbraw/zinc/96/74/58/1037967458.db2.gz MJTACOWUORHHJA-UHFFFAOYSA-N -1 3 354.834 2.933 20 10 FFCDHM COC(=O)[C@H]1C[C@](O)(C(F)(F)F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231879879 1037974879 /nfs/dbraw/zinc/97/48/79/1037974879.db2.gz UJTPLDUDMWOVFT-RHSMWYFYSA-N -1 3 369.339 2.586 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC001231912796 1038005512 /nfs/dbraw/zinc/00/55/12/1038005512.db2.gz ZYGNYBFFZGBWOZ-ZIAGYGMSSA-N -1 3 356.850 2.506 20 10 FFCDHM CN(C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1)S(C)(=O)=O ZINC001236797646 1038275369 /nfs/dbraw/zinc/27/53/69/1038275369.db2.gz CZNPXJSWHXEHPH-UHFFFAOYSA-N -1 3 367.298 2.555 20 10 FFCDHM CCOC[C@@H]1CN(Cc2c([O-])cc(OC)cc2Cl)Cc2ncn(C)c21 ZINC001236794630 1038275700 /nfs/dbraw/zinc/27/57/00/1038275700.db2.gz CHCGLCSGCZKGBC-LBPRGKRZSA-N -1 3 365.861 2.924 20 10 FFCDHM O=C(C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1)N1CCOCC1 ZINC001237082629 1038439711 /nfs/dbraw/zinc/43/97/11/1038439711.db2.gz SVDGMPLTRBJWDP-UHFFFAOYSA-N -1 3 373.280 2.770 20 10 FFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)ccc1O ZINC001260972504 1040898961 /nfs/dbraw/zinc/89/89/61/1040898961.db2.gz MXUXNGDCPUZBFI-UHFFFAOYSA-N -1 3 371.798 2.642 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1ccc(F)cc1C(F)(F)F ZINC001261012096 1040934391 /nfs/dbraw/zinc/93/43/91/1040934391.db2.gz MDEXIUBSCGDVDH-UHFFFAOYSA-N -1 3 365.304 2.734 20 10 FFCDHM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001278569251 1041209366 /nfs/dbraw/zinc/20/93/66/1041209366.db2.gz SFFYIPRLFBDIHM-IYBDPMFKSA-N -1 3 358.829 2.931 20 10 FFCDHM COc1cnc(-c2noc(-c3cccc(O)c3[O-])n2)c(Br)c1 ZINC001215145796 1041679041 /nfs/dbraw/zinc/67/90/41/1041679041.db2.gz JRWIDCHKNBIQEO-UHFFFAOYSA-N -1 3 364.155 2.981 20 10 FFCDHM [O-]c1c(O)cc(-c2nc(-c3ncccc3Br)no2)cc1O ZINC001215328555 1041740727 /nfs/dbraw/zinc/74/07/27/1041740727.db2.gz KPEUFTKIUSJCSQ-UHFFFAOYSA-N -1 3 350.128 2.678 20 10 FFCDHM Cc1c(Br)cncc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215328892 1041740856 /nfs/dbraw/zinc/74/08/56/1041740856.db2.gz UXJMTHBBUXZTRS-UHFFFAOYSA-N -1 3 364.155 2.986 20 10 FFCDHM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001279520156 1043217503 /nfs/dbraw/zinc/21/75/03/1043217503.db2.gz BNHXZVFHUBXATJ-KBPBESRZSA-N -1 3 361.829 2.568 20 10 FFCDHM O=C(Cc1ccsc1)N1CCC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001279525232 1043224026 /nfs/dbraw/zinc/22/40/26/1043224026.db2.gz JTRRWGGJDRBJTH-UHFFFAOYSA-N -1 3 360.454 2.870 20 10 FFCDHM COc1cnc(O[C@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)nc1 ZINC001237939296 1043446596 /nfs/dbraw/zinc/44/65/96/1043446596.db2.gz AQAVZJAWQBKIFG-NSHDSACASA-N -1 3 353.781 2.637 20 10 FFCDHM O=C(c1noc2c1CN(Cc1cc(Cl)ccc1[O-])CC2)N1CC=CC1 ZINC001279983222 1044033905 /nfs/dbraw/zinc/03/39/05/1044033905.db2.gz HJYQKJTZXOXYMG-UHFFFAOYSA-N -1 3 359.813 2.604 20 10 FFCDHM CO[C@@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC[C@@H]1C ZINC001340095648 1050499179 /nfs/dbraw/zinc/49/91/79/1050499179.db2.gz NDUIPDRVXPUECE-CMPLNLGQSA-N -1 3 359.455 2.659 20 10 FFCDHM CN(C[C@H]1CCCCO1)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340095494 1050499563 /nfs/dbraw/zinc/49/95/63/1050499563.db2.gz LLIYZNSOEPUPHL-LLVKDONJSA-N -1 3 359.455 2.803 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001341902733 1050504036 /nfs/dbraw/zinc/50/40/36/1050504036.db2.gz SAHSJUJOJSBLNH-NWDGAFQWSA-N -1 3 371.466 2.660 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001340209230 1050616824 /nfs/dbraw/zinc/61/68/24/1050616824.db2.gz JYILPKHUHFMOKP-YPMHNXCESA-N -1 3 371.466 2.803 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1cccc(F)c1 ZINC001340930527 1051260350 /nfs/dbraw/zinc/26/03/50/1051260350.db2.gz SFAPOEASQNTTGZ-QGZVFWFLSA-N -1 3 367.804 2.893 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)[C@H]2C[C@H]21 ZINC001337367665 1054692977 /nfs/dbraw/zinc/69/29/77/1054692977.db2.gz IENVOQQVBWCQKA-OZTPJHRESA-N -1 3 364.417 2.697 20 10 FFCDHM CO[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001518472256 1058394112 /nfs/dbraw/zinc/39/41/12/1058394112.db2.gz HMUMNAXVJHGFPR-GFCCVEGCSA-N -1 3 371.466 2.896 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000848110214 1059020781 /nfs/dbraw/zinc/02/07/81/1059020781.db2.gz XRLPYSKYQMWPES-UHFFFAOYSA-N -1 3 362.426 2.571 20 10 FFCDHM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001455356228 1059770521 /nfs/dbraw/zinc/77/05/21/1059770521.db2.gz SGBPMSCWBNDPQF-UHFFFAOYSA-N -1 3 370.482 2.764 20 10 FFCDHM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001455356228 1059770534 /nfs/dbraw/zinc/77/05/34/1059770534.db2.gz SGBPMSCWBNDPQF-UHFFFAOYSA-N -1 3 370.482 2.764 20 10 FFCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc2ccccc21 ZINC001455839116 1059929545 /nfs/dbraw/zinc/92/95/45/1059929545.db2.gz MCPYVECIKVZKFA-KRWDZBQOSA-N -1 3 351.358 2.895 20 10 FFCDHM O=C(NCCc1cccc2c1OC(F)(F)O2)NCc1c([O-])cccc1F ZINC001478998773 1062179295 /nfs/dbraw/zinc/17/92/95/1062179295.db2.gz QTELIMKZRAUWOM-UHFFFAOYSA-N -1 3 368.311 2.895 20 10 FFCDHM COC(=O)c1[n-]cnc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001436230910 1062672641 /nfs/dbraw/zinc/67/26/41/1062672641.db2.gz QIPJUHDKMXIFJS-UHFFFAOYSA-N -1 3 352.394 2.785 20 10 FFCDHM COC(=O)c1nc[n-]c1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001436230910 1062672655 /nfs/dbraw/zinc/67/26/55/1062672655.db2.gz QIPJUHDKMXIFJS-UHFFFAOYSA-N -1 3 352.394 2.785 20 10 FFCDHM CCOC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1F ZINC001471907903 1064848765 /nfs/dbraw/zinc/84/87/65/1064848765.db2.gz FMJIHJJDFTWUGG-AWEZNQCLSA-N -1 3 365.332 2.800 20 10 FFCDHM CCOc1ccc(N2CCN(c3cc(F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC001578397929 1078469614 /nfs/dbraw/zinc/46/96/14/1078469614.db2.gz DWQJKMIFZOYRBA-UHFFFAOYSA-N -1 3 368.416 2.731 20 10 FFCDHM CCOc1ccc(N2CCN(c3cc(F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC001578397929 1078469617 /nfs/dbraw/zinc/46/96/17/1078469617.db2.gz DWQJKMIFZOYRBA-UHFFFAOYSA-N -1 3 368.416 2.731 20 10 FFCDHM Cc1ccc(O)c(CNc2ncc(-c3nnn[n-]3)cc2Br)c1 ZINC001581209783 1078938357 /nfs/dbraw/zinc/93/83/57/1078938357.db2.gz VDIRXWKRMDAUDQ-UHFFFAOYSA-N -1 3 361.203 2.650 20 10 FFCDHM Cc1ccc(O)c(CNc2ncc(-c3nn[n-]n3)cc2Br)c1 ZINC001581209783 1078938361 /nfs/dbraw/zinc/93/83/61/1078938361.db2.gz VDIRXWKRMDAUDQ-UHFFFAOYSA-N -1 3 361.203 2.650 20 10 FFCDHM O=C(CSc1ncc(Cl)s1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001582133741 1079028317 /nfs/dbraw/zinc/02/83/17/1079028317.db2.gz UPMVWHQSHSNJMT-UHFFFAOYSA-N -1 3 352.832 2.707 20 10 FFCDHM O=C(CSc1ncc(Cl)s1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001582133741 1079028326 /nfs/dbraw/zinc/02/83/26/1079028326.db2.gz UPMVWHQSHSNJMT-UHFFFAOYSA-N -1 3 352.832 2.707 20 10 FFCDHM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1c([O-])cccc1F ZINC001558454890 1076009295 /nfs/dbraw/zinc/00/92/95/1076009295.db2.gz GQVABYHBROJAOS-UHFFFAOYSA-N -1 3 371.195 2.884 20 10 FFCDHM O=C([N-]N1CCc2ccccc2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC001566764205 1076981093 /nfs/dbraw/zinc/98/10/93/1076981093.db2.gz RKBWODRACTYFCX-UHFFFAOYSA-N -1 3 354.387 2.656 20 10 FFCDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589937173 1080881969 /nfs/dbraw/zinc/88/19/69/1080881969.db2.gz XZJFIJIUBPXIEY-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589937173 1080881977 /nfs/dbraw/zinc/88/19/77/1080881977.db2.gz XZJFIJIUBPXIEY-LLVKDONJSA-N -1 3 369.404 2.955 20 10 FFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000092095229 508042620 /nfs/dbraw/zinc/04/26/20/508042620.db2.gz GJGNZRHSUNOUAN-FMKPAKJESA-N -1 3 356.260 2.923 20 10 FFCDHM CN(CCC1CCCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000101680445 508254088 /nfs/dbraw/zinc/25/40/88/508254088.db2.gz JFIRZXUSKUMDGB-UHFFFAOYSA-N -1 3 354.472 2.806 20 10 FFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCOC1 ZINC000158062196 508652090 /nfs/dbraw/zinc/65/20/90/508652090.db2.gz YQDYKDGZCKUNCA-CJNGLKHVSA-N -1 3 352.862 2.553 20 10 FFCDHM O=C(C1CC1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000119081433 508721771 /nfs/dbraw/zinc/72/17/71/508721771.db2.gz CXERNFYLTJDTQR-UHFFFAOYSA-N -1 3 353.260 2.599 20 10 FFCDHM CN(Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000182937672 509506777 /nfs/dbraw/zinc/50/67/77/509506777.db2.gz VVAMXLITQMUFLD-QGZVFWFLSA-N -1 3 361.463 2.590 20 10 FFCDHM COC(=O)CN(Cc1nc(C(C)C)no1)Cc1cc(Cl)ccc1[O-] ZINC000171927536 510455710 /nfs/dbraw/zinc/45/57/10/510455710.db2.gz FTASUOMTXAACSN-UHFFFAOYSA-N -1 3 353.806 2.727 20 10 FFCDHM COc1cc(Cl)cc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000184698585 510470279 /nfs/dbraw/zinc/47/02/79/510470279.db2.gz OWEMVOSLWAIGET-ZFWWWQNUSA-N -1 3 361.891 2.842 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(C)nn1C ZINC000266495192 510622090 /nfs/dbraw/zinc/62/20/90/510622090.db2.gz CKIUXMCBSPBICD-UHFFFAOYSA-N -1 3 352.232 2.859 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c([O-])c1O ZINC000277581587 510966028 /nfs/dbraw/zinc/96/60/28/510966028.db2.gz CGPIDAKWYWVGMT-UHFFFAOYSA-N -1 3 355.434 2.864 20 10 FFCDHM COc1cc2c(cc1OC)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278178521 510983555 /nfs/dbraw/zinc/98/35/55/510983555.db2.gz GONKNPKSOHAXMS-UHFFFAOYSA-N -1 3 374.393 2.885 20 10 FFCDHM C[C@H]1C[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000278220324 510985248 /nfs/dbraw/zinc/98/52/48/510985248.db2.gz XBUTVGDMXSVOHR-NWDGAFQWSA-N -1 3 352.818 2.625 20 10 FFCDHM COc1c([O-])c(CN2CCC(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278236168 510987081 /nfs/dbraw/zinc/98/70/81/510987081.db2.gz NGHVAPRASCYUCT-UHFFFAOYSA-N -1 3 366.414 2.863 20 10 FFCDHM COc1c([O-])c(CN2CCN([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278291898 510988082 /nfs/dbraw/zinc/98/80/82/510988082.db2.gz UYTCDLBTSGWVNI-CQSZACIVSA-N -1 3 372.425 2.583 20 10 FFCDHM O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000286444033 511026391 /nfs/dbraw/zinc/02/63/91/511026391.db2.gz HCJBOUFYVRZFOG-CQSZACIVSA-N -1 3 362.426 2.761 20 10 FFCDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc2c(c1)CCO2 ZINC000289345214 511097769 /nfs/dbraw/zinc/09/77/69/511097769.db2.gz MHMNXPHVFACJLG-SFHVURJKSA-N -1 3 373.380 2.673 20 10 FFCDHM [O-]c1c(Br)cccc1CNCc1ncc(C2OCCO2)s1 ZINC000289697781 511110534 /nfs/dbraw/zinc/11/05/34/511110534.db2.gz NMJOFMRITOOQMH-UHFFFAOYSA-N -1 3 371.256 2.946 20 10 FFCDHM Cc1ccccc1[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271204554 511120002 /nfs/dbraw/zinc/12/00/02/511120002.db2.gz JSRDOPLDMFYFIW-ZDUSSCGKSA-N -1 3 362.451 2.905 20 10 FFCDHM COCCn1cc(CN[C@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000282815363 511120966 /nfs/dbraw/zinc/12/09/66/511120966.db2.gz RNCAJWJKZNXLMX-LLVKDONJSA-N -1 3 354.248 2.848 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000295590933 511454604 /nfs/dbraw/zinc/45/46/04/511454604.db2.gz MNRQVZXJNQIFEY-CYBMUJFWSA-N -1 3 350.434 2.848 20 10 FFCDHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000280450612 511469902 /nfs/dbraw/zinc/46/99/02/511469902.db2.gz HXBKAEMZUQLJII-GFCCVEGCSA-N -1 3 354.472 2.662 20 10 FFCDHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272819024 511507739 /nfs/dbraw/zinc/50/77/39/511507739.db2.gz OJKZMDKDEONPSM-UHFFFAOYSA-N -1 3 370.405 2.903 20 10 FFCDHM C[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570670 511538643 /nfs/dbraw/zinc/53/86/43/511538643.db2.gz KQJSBWCDWBCGAU-SUMWQHHRSA-N -1 3 357.410 2.651 20 10 FFCDHM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000280799745 511607000 /nfs/dbraw/zinc/60/70/00/511607000.db2.gz SEMWJWXXYYXDBO-GFCCVEGCSA-N -1 3 360.385 2.825 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1[O-] ZINC000366373935 511985653 /nfs/dbraw/zinc/98/56/53/511985653.db2.gz GOFGIONWWQUNJI-OAHLLOKOSA-N -1 3 357.447 2.523 20 10 FFCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507062 511989830 /nfs/dbraw/zinc/98/98/30/511989830.db2.gz AJDZZNBRXLPZEA-ZBEGNZNMSA-N -1 3 353.825 2.864 20 10 FFCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507049 511990146 /nfs/dbraw/zinc/99/01/46/511990146.db2.gz AJDZZNBRXLPZEA-BDJLRTHQSA-N -1 3 353.825 2.864 20 10 FFCDHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc(O)c1[O-] ZINC000275059887 512029573 /nfs/dbraw/zinc/02/95/73/512029573.db2.gz YRMVSKSALZAMTL-HNNXBMFYSA-N -1 3 357.406 2.928 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000275090523 512037517 /nfs/dbraw/zinc/03/75/17/512037517.db2.gz GTJZUOSZXFMATP-OAHLLOKOSA-N -1 3 365.332 2.913 20 10 FFCDHM COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000367905283 512716277 /nfs/dbraw/zinc/71/62/77/512716277.db2.gz YLSVHOCCONZNJG-NSHDSACASA-N -1 3 369.377 2.956 20 10 FFCDHM COc1cc(N[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc(OC)c1 ZINC000376440982 512819667 /nfs/dbraw/zinc/81/96/67/512819667.db2.gz IBEBUXBVAZBCNG-CYBMUJFWSA-N -1 3 372.421 2.832 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC(O)CC1 ZINC000377068475 513106828 /nfs/dbraw/zinc/10/68/28/513106828.db2.gz RRAITPBJFFDIKV-BLDCVEFLSA-N -1 3 366.889 2.677 20 10 FFCDHM Cc1cc(C(=O)OCC(=O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238130 598475416 /nfs/dbraw/zinc/47/54/16/598475416.db2.gz IYGWHTDFNSFKHF-UHFFFAOYSA-N -1 3 367.409 2.656 20 10 FFCDHM Cc1cc(C(=O)OC[C@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737243750 598623654 /nfs/dbraw/zinc/62/36/54/598623654.db2.gz VWTRPHNNHCCSHK-MRXNPFEDSA-N -1 3 367.409 2.610 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737106597 598733231 /nfs/dbraw/zinc/73/32/31/598733231.db2.gz VQNFHDPJVAJQBP-SNVBAGLBSA-N -1 3 370.438 2.629 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737106597 598733232 /nfs/dbraw/zinc/73/32/32/598733232.db2.gz VQNFHDPJVAJQBP-SNVBAGLBSA-N -1 3 370.438 2.629 20 10 FFCDHM CC[C@@H](C)[C@H](NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880439 600219198 /nfs/dbraw/zinc/21/91/98/600219198.db2.gz WXVVRBXMRMWAIU-KUHUBIRLSA-N -1 3 362.470 2.752 20 10 FFCDHM CC[C@@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000736880439 600219200 /nfs/dbraw/zinc/21/92/00/600219200.db2.gz WXVVRBXMRMWAIU-KUHUBIRLSA-N -1 3 362.470 2.752 20 10 FFCDHM Fc1cccnc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826378521 607784349 /nfs/dbraw/zinc/78/43/49/607784349.db2.gz OIHMGKCWJSGXNS-UHFFFAOYSA-N -1 3 363.809 2.541 20 10 FFCDHM Fc1cccnc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826378521 607784350 /nfs/dbraw/zinc/78/43/50/607784350.db2.gz OIHMGKCWJSGXNS-UHFFFAOYSA-N -1 3 363.809 2.541 20 10 FFCDHM CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825435437 607924393 /nfs/dbraw/zinc/92/43/93/607924393.db2.gz XZVJMTCNCNSJGT-UHFFFAOYSA-N -1 3 367.409 2.688 20 10 FFCDHM CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825435437 607924394 /nfs/dbraw/zinc/92/43/94/607924394.db2.gz XZVJMTCNCNSJGT-UHFFFAOYSA-N -1 3 367.409 2.688 20 10 FFCDHM Cn1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000826363006 608109701 /nfs/dbraw/zinc/10/97/01/608109701.db2.gz SAMUUMHYIBAVIN-MDWZMJQESA-N -1 3 368.447 2.611 20 10 FFCDHM Cn1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)c1 ZINC000826363006 608109702 /nfs/dbraw/zinc/10/97/02/608109702.db2.gz SAMUUMHYIBAVIN-MDWZMJQESA-N -1 3 368.447 2.611 20 10 FFCDHM Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000826511552 608376793 /nfs/dbraw/zinc/37/67/93/608376793.db2.gz UZGLIGNHJZLCFS-UHFFFAOYSA-N -1 3 352.785 2.808 20 10 FFCDHM Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000826511552 608376794 /nfs/dbraw/zinc/37/67/94/608376794.db2.gz UZGLIGNHJZLCFS-UHFFFAOYSA-N -1 3 352.785 2.808 20 10 FFCDHM CCN(CC)c1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000825416061 609464128 /nfs/dbraw/zinc/46/41/28/609464128.db2.gz GXBDBPUJKAYMPZ-UHFFFAOYSA-N -1 3 362.441 2.973 20 10 FFCDHM CCN(CC)c1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000825416061 609464130 /nfs/dbraw/zinc/46/41/30/609464130.db2.gz GXBDBPUJKAYMPZ-UHFFFAOYSA-N -1 3 362.441 2.973 20 10 FFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)c(F)c1 ZINC000055109831 728095151 /nfs/dbraw/zinc/09/51/51/728095151.db2.gz FMGPNBSBPIBPMZ-SECBINFHSA-N -1 3 370.377 2.533 20 10 FFCDHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)n1-c1ccccn1 ZINC000071949407 728209916 /nfs/dbraw/zinc/20/99/16/728209916.db2.gz DBYLFZPIFZAXPM-UHFFFAOYSA-N -1 3 350.304 2.878 20 10 FFCDHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)n1-c1ccccn1 ZINC000071949407 728209918 /nfs/dbraw/zinc/20/99/18/728209918.db2.gz DBYLFZPIFZAXPM-UHFFFAOYSA-N -1 3 350.304 2.878 20 10 FFCDHM COC(=O)CN(CC(=O)NCCC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000111238313 728535481 /nfs/dbraw/zinc/53/54/81/728535481.db2.gz VZJJZPMLUVJZFD-UHFFFAOYSA-N -1 3 370.877 2.573 20 10 FFCDHM COC(=O)CN(CCc1c(C)noc1C)Cc1cc(Cl)ccc1[O-] ZINC000119345900 728592325 /nfs/dbraw/zinc/59/23/25/728592325.db2.gz TZYAKGKWNHWZLH-UHFFFAOYSA-N -1 3 352.818 2.868 20 10 FFCDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000751318640 735863699 /nfs/dbraw/zinc/86/36/99/735863699.db2.gz NLUNUTQTIVUDOL-LLVKDONJSA-N -1 3 366.395 2.657 20 10 FFCDHM CCCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177270751 729132922 /nfs/dbraw/zinc/13/29/22/729132922.db2.gz FTLSIESTBPTCGZ-CYBMUJFWSA-N -1 3 352.862 2.986 20 10 FFCDHM CCCN(Cc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179642194 729191137 /nfs/dbraw/zinc/19/11/37/729191137.db2.gz OBXQQAWCYCIVLZ-LBPRGKRZSA-N -1 3 362.289 2.554 20 10 FFCDHM CC(C)(C)C(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862216298 730676999 /nfs/dbraw/zinc/67/69/99/730676999.db2.gz KXFMTGQNTGYSAO-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM CCOC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862219298 730677535 /nfs/dbraw/zinc/67/75/35/730677535.db2.gz KFECAEYSNZBCEO-NSHDSACASA-N -1 3 357.248 2.865 20 10 FFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@H]2CCCC[C@@H]21 ZINC000862244052 730680723 /nfs/dbraw/zinc/68/07/23/730680723.db2.gz VGLYQCDMEMRCKX-ZFWWWQNUSA-N -1 3 374.300 2.696 20 10 FFCDHM O=S1(=O)CC[C@@]2(C1)CCCN(Cc1c([O-])cccc1Br)C2 ZINC000862387757 730695661 /nfs/dbraw/zinc/69/56/61/730695661.db2.gz PZJUTTPQEALDQV-HNNXBMFYSA-N -1 3 374.300 2.555 20 10 FFCDHM COCCN(Cc1c([O-])cccc1Br)C[C@H](O)C(F)(F)F ZINC000862402970 730697612 /nfs/dbraw/zinc/69/76/12/730697612.db2.gz UKJATRRGQWHBJP-LBPRGKRZSA-N -1 3 372.181 2.526 20 10 FFCDHM C[C@](CO)(NCc1c([O-])cccc1Br)c1cccc(O)c1 ZINC000862432771 730702295 /nfs/dbraw/zinc/70/22/95/730702295.db2.gz MMCFEPPWPJQEFS-MRXNPFEDSA-N -1 3 352.228 2.858 20 10 FFCDHM COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1ccc(Br)cc1[O-] ZINC000862515731 730705807 /nfs/dbraw/zinc/70/58/07/730705807.db2.gz BDXAEFNTTSLURJ-FZMZJTMJSA-N -1 3 372.259 2.603 20 10 FFCDHM C/C=C\C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000863819197 730810513 /nfs/dbraw/zinc/81/05/13/730810513.db2.gz RTDLAHKMUIBDGD-DHCBQETCSA-N -1 3 352.456 2.582 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000781907899 738670645 /nfs/dbraw/zinc/67/06/45/738670645.db2.gz HFWSMUBGSVIIKZ-GFCCVEGCSA-N -1 3 354.166 2.962 20 10 FFCDHM CCN(Cc1cc(C)cc(Br)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000781914748 738671922 /nfs/dbraw/zinc/67/19/22/738671922.db2.gz ZLDGOLJQMREIJT-LLVKDONJSA-N -1 3 364.305 2.718 20 10 FFCDHM O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1ccc(F)c(F)c1 ZINC000725842061 734395895 /nfs/dbraw/zinc/39/58/95/734395895.db2.gz ZPGPGEXSLLHDGY-UHFFFAOYSA-N -1 3 371.727 2.960 20 10 FFCDHM CN(C)C(=O)NCCN(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894376415 734848589 /nfs/dbraw/zinc/84/85/89/734848589.db2.gz ZAEJRDRYKYRLIJ-UHFFFAOYSA-N -1 3 364.671 2.511 20 10 FFCDHM CC(C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751360657 735866344 /nfs/dbraw/zinc/86/63/44/735866344.db2.gz OCIUGNMCQWFZHG-OAHLLOKOSA-N -1 3 360.907 2.585 20 10 FFCDHM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC000751536576 735891781 /nfs/dbraw/zinc/89/17/81/735891781.db2.gz ZOVMGTSODIRKGY-UHFFFAOYSA-N -1 3 364.423 2.729 20 10 FFCDHM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cccc(O)c1[O-] ZINC000790529830 739465409 /nfs/dbraw/zinc/46/54/09/739465409.db2.gz ICHGHQJCAAZQCE-UHFFFAOYSA-N -1 3 355.316 2.744 20 10 FFCDHM COc1ccc(CNC(=O)CN[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756478005 736334910 /nfs/dbraw/zinc/33/49/10/736334910.db2.gz BPOYWEWKSHHROQ-NSHDSACASA-N -1 3 350.365 2.646 20 10 FFCDHM O=C(NCc1cccc(Br)c1[O-])c1cnc2ccccc2c1O ZINC000765746081 737152472 /nfs/dbraw/zinc/15/24/72/737152472.db2.gz DDIKFXKNGPCDIZ-UHFFFAOYSA-N -1 3 373.206 2.926 20 10 FFCDHM CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)n1 ZINC000775204833 738072445 /nfs/dbraw/zinc/07/24/45/738072445.db2.gz HBSKNUNTUGTJAD-UHFFFAOYSA-N -1 3 364.833 2.720 20 10 FFCDHM CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928707359 738897670 /nfs/dbraw/zinc/89/76/70/738897670.db2.gz CZTZXBWOQMAENA-CQSZACIVSA-N -1 3 352.406 2.841 20 10 FFCDHM CCC(CC)(CNC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000790818270 739499827 /nfs/dbraw/zinc/49/98/27/739499827.db2.gz QWROREDSZWFLLT-UHFFFAOYSA-N -1 3 352.431 2.911 20 10 FFCDHM O=S(=O)(c1ccnc(NCc2c([O-])cccc2Cl)c1)N1CCCC1 ZINC000794970493 739946630 /nfs/dbraw/zinc/94/66/30/739946630.db2.gz YIXSIUYUCPVTMZ-UHFFFAOYSA-N -1 3 367.858 2.837 20 10 FFCDHM O=S(=O)(CCNCc1c([O-])ccc(Cl)c1F)CCc1ccccc1 ZINC000800311501 740511152 /nfs/dbraw/zinc/51/11/52/740511152.db2.gz IXNXOMOWQHLNAT-UHFFFAOYSA-N -1 3 371.861 2.932 20 10 FFCDHM CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000817210256 742106540 /nfs/dbraw/zinc/10/65/40/742106540.db2.gz QYZKYSZTOJWFCG-UHFFFAOYSA-N -1 3 352.431 2.911 20 10 FFCDHM CCCn1nccc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000824768069 743145045 /nfs/dbraw/zinc/14/50/45/743145045.db2.gz FAMDBONZUHRPFV-UHFFFAOYSA-N -1 3 351.834 2.827 20 10 FFCDHM C[C@H](NCc1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834882707 745918836 /nfs/dbraw/zinc/91/88/36/745918836.db2.gz CYKBARUSNRNYAM-NSHDSACASA-N -1 3 350.396 2.555 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000839710188 746900155 /nfs/dbraw/zinc/90/01/55/746900155.db2.gz WLSOCKXGJIXJIN-OAHLLOKOSA-N -1 3 360.845 2.538 20 10 FFCDHM CC[C@H]([NH2+][C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1[O-] ZINC001589568987 948894262 /nfs/dbraw/zinc/89/42/62/948894262.db2.gz STCVQUJVCRSXFV-LNLFQRSKSA-N -1 3 368.433 2.860 20 10 FFCDHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccccn1 ZINC000078585755 964274562 /nfs/dbraw/zinc/27/45/62/964274562.db2.gz HWTUXGPACAKOPF-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccccn1 ZINC000078585755 964274598 /nfs/dbraw/zinc/27/45/98/964274598.db2.gz HWTUXGPACAKOPF-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2Cc1cc(F)c(F)cc1[O-] ZINC001279108799 964330889 /nfs/dbraw/zinc/33/08/89/964330889.db2.gz WFKKITPDEZMSHI-IRXDYDNUSA-N -1 3 362.424 2.736 20 10 FFCDHM Cc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000237137550 965022404 /nfs/dbraw/zinc/02/24/04/965022404.db2.gz HBVBGMABYIIKOX-UHFFFAOYSA-N -1 3 371.481 2.799 20 10 FFCDHM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894753241 965667336 /nfs/dbraw/zinc/66/73/36/965667336.db2.gz RUKOYUBOWXPNJN-GJZGRUSLSA-N -1 3 370.396 2.540 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc3ccccc32)c1 ZINC000065635884 967599472 /nfs/dbraw/zinc/59/94/72/967599472.db2.gz PHPIRILOXJJSPL-UHFFFAOYSA-N -1 3 370.430 2.847 20 10 FFCDHM CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001271433608 972992052 /nfs/dbraw/zinc/99/20/52/972992052.db2.gz JQEGBWRBSVNWJI-FQEVSTJZSA-N -1 3 358.438 2.661 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)CC2(CC(=O)[O-])CCC2)N(C)C)cc1 ZINC000899854038 977366247 /nfs/dbraw/zinc/36/62/47/977366247.db2.gz FLZWPLXXWFRBET-QGZVFWFLSA-N -1 3 361.486 2.507 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(C)cc(=O)[n-]3)ccc21 ZINC000898266069 982659588 /nfs/dbraw/zinc/65/95/88/982659588.db2.gz UEOWUGNBPAMSFU-UHFFFAOYSA-N -1 3 368.437 2.639 20 10 FFCDHM CCn1c(CCNC(=O)NCc2c([O-])cccc2F)nc2ccccc21 ZINC000915195503 988287313 /nfs/dbraw/zinc/28/73/13/988287313.db2.gz WHEJTKFFICULKT-UHFFFAOYSA-N -1 3 356.401 2.943 20 10 FFCDHM CN(Cc1cc2ccccc2o1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000175457109 991205254 /nfs/dbraw/zinc/20/52/54/991205254.db2.gz XYAOKADPHBYSAE-UHFFFAOYSA-N -1 3 374.418 2.782 20 10 FFCDHM COc1ccc(CCC(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000179996702 991397829 /nfs/dbraw/zinc/39/78/29/991397829.db2.gz YZPPUQIXUMVCNI-UHFFFAOYSA-N -1 3 372.440 2.817 20 10 FFCDHM C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271298 994603259 /nfs/dbraw/zinc/60/32/59/994603259.db2.gz HAYOYQKCXBPQSR-LLVKDONJSA-N -1 3 362.813 2.824 20 10 FFCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c([O-])c1O ZINC000770484857 1000813333 /nfs/dbraw/zinc/81/33/33/1000813333.db2.gz SLKJFOYKYMFMHQ-UHFFFAOYSA-N -1 3 363.373 2.728 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148218602 1001071732 /nfs/dbraw/zinc/07/17/32/1001071732.db2.gz HHSIRXGGOMRYQW-LJQANCHMSA-N -1 3 364.442 2.865 20 10 FFCDHM CC(C)CC[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)C(=O)OC(C)(C)C ZINC001148589939 1001176295 /nfs/dbraw/zinc/17/62/95/1001176295.db2.gz RJDGAISCGUHSNR-GFCCVEGCSA-N -1 3 353.415 2.680 20 10 FFCDHM COc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)c(Br)c1 ZINC001148588299 1001176709 /nfs/dbraw/zinc/17/67/09/1001176709.db2.gz ROHOAIVIVKWZNR-UHFFFAOYSA-N -1 3 354.156 2.827 20 10 FFCDHM C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(F)cc(F)c1[O-] ZINC000788608553 1001824672 /nfs/dbraw/zinc/82/46/72/1001824672.db2.gz JVZOLZNKHANOOW-LLVKDONJSA-N -1 3 361.392 2.687 20 10 FFCDHM COC(=O)C(C)(C)CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182536086 1001954392 /nfs/dbraw/zinc/95/43/92/1001954392.db2.gz LFSFOSPPFYDSLC-UHFFFAOYSA-N -1 3 350.802 2.799 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2cccc3cccnc32)CC1 ZINC000790501329 1002397248 /nfs/dbraw/zinc/39/72/48/1002397248.db2.gz LLAXJSNSCNXTIN-UHFFFAOYSA-N -1 3 363.417 2.604 20 10 FFCDHM O=C(CNc1cc(Br)cc2cncn21)c1ccc([O-])c(O)c1 ZINC001170321241 1003110381 /nfs/dbraw/zinc/11/03/81/1003110381.db2.gz YFFNOXKTLWROCO-UHFFFAOYSA-N -1 3 362.183 2.803 20 10 FFCDHM COc1c([O-])c(CNCc2ccn(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000793623475 1003448262 /nfs/dbraw/zinc/44/82/62/1003448262.db2.gz GOHWDSQEZPZROY-UHFFFAOYSA-N -1 3 368.393 2.844 20 10 FFCDHM Cc1cc(C)c(CNC(=O)c2ccc(Br)c(=O)[n-]2)c(O)c1 ZINC001193162689 1004395218 /nfs/dbraw/zinc/39/52/18/1004395218.db2.gz KSUKQTUJTKMMSK-UHFFFAOYSA-N -1 3 351.200 2.802 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnn2ccncc12 ZINC001199817936 1005034717 /nfs/dbraw/zinc/03/47/17/1005034717.db2.gz JJKDPMCEMPLXLO-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM CCN(CC)c1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000776118082 1005135256 /nfs/dbraw/zinc/13/52/56/1005135256.db2.gz KIEJROMZKCGDAB-UHFFFAOYSA-N -1 3 370.379 2.669 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCc2nccn2C1 ZINC001178119321 1008866360 /nfs/dbraw/zinc/86/63/60/1008866360.db2.gz ORXBOAGWTGHPIP-LLVKDONJSA-N -1 3 356.813 2.669 20 10 FFCDHM CCN1CCN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000823961293 1009280965 /nfs/dbraw/zinc/28/09/65/1009280965.db2.gz QBZXJNOHEXSDJC-UHFFFAOYSA-N -1 3 359.401 2.631 20 10 FFCDHM O=c1[n-]c(CNCc2ccc(N3CCCCC3)cc2)nc2c1COCC2 ZINC000865867159 1010877528 /nfs/dbraw/zinc/87/75/28/1010877528.db2.gz FNMNQEVDYITRDC-UHFFFAOYSA-N -1 3 354.454 2.535 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001137837666 1033179914 /nfs/dbraw/zinc/17/99/14/1033179914.db2.gz QHNHDASENWPAPK-UHFFFAOYSA-N -1 3 356.323 2.662 20 10 FFCDHM O=C(/C=C/c1ccc(O)c(O)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000784285876 1030553749 /nfs/dbraw/zinc/55/37/49/1030553749.db2.gz GJMSXHIALPAWAH-SOFGYWHQSA-N -1 3 354.318 2.610 20 10 FFCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001142513116 1030562254 /nfs/dbraw/zinc/56/22/54/1030562254.db2.gz YCVHYQCYSLFKME-KXBFYZLASA-N -1 3 362.376 2.878 20 10 FFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)c(F)cc2[O-])N1Cc1cccnc1 ZINC001142517254 1030565698 /nfs/dbraw/zinc/56/56/98/1030565698.db2.gz GTBMTIUQFRZLCO-QZTJIDSGSA-N -1 3 373.403 2.831 20 10 FFCDHM COc1ccnc(OC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142531029 1030581744 /nfs/dbraw/zinc/58/17/44/1030581744.db2.gz NYOFFPWDYPAFDX-UHFFFAOYSA-N -1 3 351.353 2.512 20 10 FFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001203577380 1030769691 /nfs/dbraw/zinc/76/96/91/1030769691.db2.gz CDPHGGFRAFSCFQ-GASCZTMLSA-N -1 3 357.281 2.994 20 10 FFCDHM O=C(COC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)NC1CC1 ZINC001203582100 1030773488 /nfs/dbraw/zinc/77/34/88/1030773488.db2.gz QJOQIYKCYQCBSW-UHFFFAOYSA-N -1 3 373.280 2.959 20 10 FFCDHM CC(C)(C)OC(=O)N1CCOC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203650946 1030802783 /nfs/dbraw/zinc/80/27/83/1030802783.db2.gz GTTTVVIBVGUNII-UHFFFAOYSA-N -1 3 368.861 2.867 20 10 FFCDHM COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)c(F)c1[O-] ZINC001276949899 1033735206 /nfs/dbraw/zinc/73/52/06/1033735206.db2.gz YGZOKVHVOMCCIC-HUUCEWRRSA-N -1 3 368.424 2.661 20 10 FFCDHM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967509 1033865331 /nfs/dbraw/zinc/86/53/31/1033865331.db2.gz NIAMPPODOWONFE-AMKSKSKJSA-N -1 3 368.836 2.728 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1Cc2ccccc2CN1 ZINC001220212706 1034050352 /nfs/dbraw/zinc/05/03/52/1034050352.db2.gz SUKZFQVAKOYNPI-QGZVFWFLSA-N -1 3 367.836 2.925 20 10 FFCDHM COC[C@@H](C)OC[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386074 1034662930 /nfs/dbraw/zinc/66/29/30/1034662930.db2.gz WVZKBLSLGKXJMX-CHWSQXEVSA-N -1 3 370.401 2.986 20 10 FFCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)cc1 ZINC001139690021 1035198709 /nfs/dbraw/zinc/19/87/09/1035198709.db2.gz MHFQVTAGWIBOBO-AWEZNQCLSA-N -1 3 362.376 2.813 20 10 FFCDHM CCOC[C@@H]1CN(Cc2cc(F)ccc2[O-])Cc2nnn(CC3CC3)c21 ZINC001140063149 1035328183 /nfs/dbraw/zinc/32/81/83/1035328183.db2.gz LRTSBSKNSRUWIT-HNNXBMFYSA-N -1 3 360.433 2.669 20 10 FFCDHM COc1ccnc(N2CCN(Cc3cc(Cl)c(OC)cc3[O-])CC2)c1 ZINC001232271682 1035540441 /nfs/dbraw/zinc/54/04/41/1035540441.db2.gz ZYBQVSUZMNGCNQ-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001233079609 1036328274 /nfs/dbraw/zinc/32/82/74/1036328274.db2.gz HAHUGRRQWWRNHT-HNNXBMFYSA-N -1 3 362.376 2.813 20 10 FFCDHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3c([O-])ccc(F)c3F)O2)n1 ZINC001233333328 1036537983 /nfs/dbraw/zinc/53/79/83/1036537983.db2.gz RSRHKVVQRBGWBJ-BPLDGKMQSA-N -1 3 351.353 2.856 20 10 FFCDHM CCNC(=O)CO[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419213 1036613621 /nfs/dbraw/zinc/61/36/21/1036613621.db2.gz NTTCIQBXRAETHN-ZDUSSCGKSA-N -1 3 360.376 2.528 20 10 FFCDHM CCn1nnc2c1CCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@H]2COC ZINC001233452564 1036633488 /nfs/dbraw/zinc/63/34/88/1036633488.db2.gz BIGHRRZHVBYZSG-AWEZNQCLSA-N -1 3 370.375 2.768 20 10 FFCDHM Cc1cc(OC[C@@H]2CCC(=O)O2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542282 1036729412 /nfs/dbraw/zinc/72/94/12/1036729412.db2.gz LACSBWZSWXUXMQ-NSHDSACASA-N -1 3 352.342 2.560 20 10 FFCDHM CCN1CC(Oc2c(C)cc3c(c2OC)C(=O)c2c([O-])cccc2C3=O)C1 ZINC001234126230 1036932256 /nfs/dbraw/zinc/93/22/56/1036932256.db2.gz BXVIVGKLOYLQAJ-UHFFFAOYSA-N -1 3 367.401 2.568 20 10 FFCDHM COc1c(O[C@@H](C)C(C)=O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234133957 1036935620 /nfs/dbraw/zinc/93/56/20/1036935620.db2.gz UFLJAUGIZGVAFG-NSHDSACASA-N -1 3 354.358 2.841 20 10 FFCDHM CN1C(=O)CC[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])CC[C@@H]21 ZINC001235306450 1037464323 /nfs/dbraw/zinc/46/43/23/1037464323.db2.gz FQIPEKKVOABUNY-YGRLFVJLSA-N -1 3 371.250 2.737 20 10 FFCDHM CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452218 1037591523 /nfs/dbraw/zinc/59/15/23/1037591523.db2.gz HKOAJSZVNATTGX-UHFFFAOYSA-N -1 3 364.442 2.970 20 10 FFCDHM COc1cccc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231452786 1037592623 /nfs/dbraw/zinc/59/26/23/1037592623.db2.gz FFJTWSSTZZXVBR-UHFFFAOYSA-N -1 3 358.394 2.537 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC001231453329 1037595015 /nfs/dbraw/zinc/59/50/15/1037595015.db2.gz LHXHGHZUVVTAHL-UHFFFAOYSA-N -1 3 372.396 2.624 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c([O-])c1 ZINC001231453952 1037595596 /nfs/dbraw/zinc/59/55/96/1037595596.db2.gz RWJLRSHWZQGWCI-UHFFFAOYSA-N -1 3 372.396 2.624 20 10 FFCDHM Cc1cc([O-])c(CN2CCn3c(COC(C)C)nnc3C2)cc1Cl ZINC001231866431 1037962682 /nfs/dbraw/zinc/96/26/82/1037962682.db2.gz DYLPAOOBKKMDHP-UHFFFAOYSA-N -1 3 350.850 2.886 20 10 FFCDHM [O-]c1c(CN2CCCn3c(Cn4cccn4)nnc3C2)ccc2ccccc21 ZINC001231881522 1037974416 /nfs/dbraw/zinc/97/44/16/1037974416.db2.gz XJBUMYLAMGALDK-UHFFFAOYSA-N -1 3 374.448 2.788 20 10 FFCDHM [O-]c1c(Cl)cccc1CN1CCc2nnc(Cn3cccc3)n2CC1 ZINC001231909972 1038002530 /nfs/dbraw/zinc/00/25/30/1038002530.db2.gz IIZLOXGHZPLGLR-UHFFFAOYSA-N -1 3 357.845 2.545 20 10 FFCDHM Cc1cc(N2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)nc(C)n1 ZINC001237124993 1038450953 /nfs/dbraw/zinc/45/09/53/1038450953.db2.gz QHXKRPQEASNKOD-UHFFFAOYSA-N -1 3 350.825 2.914 20 10 FFCDHM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cc(Cl)ccc1Cl ZINC001251371706 1039094931 /nfs/dbraw/zinc/09/49/31/1039094931.db2.gz KPRWMUWTUSRTEI-UHFFFAOYSA-N -1 3 362.234 2.926 20 10 FFCDHM CC(C)N(C)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251416111 1039119936 /nfs/dbraw/zinc/11/99/36/1039119936.db2.gz ZVOXZJLSIYGVQS-LLVKDONJSA-N -1 3 367.298 2.802 20 10 FFCDHM COc1cc([O-])c(CN2CCC[C@@H](F)C2)cc1I ZINC001248466359 1040281749 /nfs/dbraw/zinc/28/17/49/1040281749.db2.gz SJXPNQMKKXLRBS-SNVBAGLBSA-N -1 3 365.186 2.939 20 10 FFCDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1ccc(F)cc1C(F)(F)F ZINC001261012654 1040936168 /nfs/dbraw/zinc/93/61/68/1040936168.db2.gz PHOPSUZQSDIUHV-UHFFFAOYSA-N -1 3 365.304 2.734 20 10 FFCDHM CN1CCO[C@]2(CCCN(Cc3cc(F)cc(Br)c3[O-])C2)C1 ZINC001279351674 1043021107 /nfs/dbraw/zinc/02/11/07/1043021107.db2.gz YYRHWPQMMSHCKO-MRXNPFEDSA-N -1 3 373.266 2.590 20 10 FFCDHM COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(Br)c(C)cc1[O-] ZINC001237683119 1043310061 /nfs/dbraw/zinc/31/00/61/1043310061.db2.gz JBZQPDNEGMROEQ-PBWFPOADSA-N -1 3 356.260 2.841 20 10 FFCDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Br)c(C)cc1[O-] ZINC001237685406 1043311906 /nfs/dbraw/zinc/31/19/06/1043311906.db2.gz PYEGRQLECPDPLQ-GMXABZIVSA-N -1 3 354.244 2.989 20 10 FFCDHM COCCN1C(=O)CCC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237811589 1043374234 /nfs/dbraw/zinc/37/42/34/1043374234.db2.gz AUSYIXGSOGKDKP-UHFFFAOYSA-N -1 3 370.852 2.788 20 10 FFCDHM C[C@H]1c2nc(C(=O)NC(C)(C)C)cn2CCN1Cc1cc(F)ccc1[O-] ZINC001280292291 1044558882 /nfs/dbraw/zinc/55/88/82/1044558882.db2.gz JPZCRMIXNHTKLM-LBPRGKRZSA-N -1 3 360.433 2.833 20 10 FFCDHM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001334375398 1049399058 /nfs/dbraw/zinc/39/90/58/1049399058.db2.gz OXZKSPMZHIKYTD-ZJUUUORDSA-N -1 3 353.287 2.844 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001340987863 1051323362 /nfs/dbraw/zinc/32/33/62/1051323362.db2.gz XHEZBYLXRAVRRY-VXGBXAGGSA-N -1 3 359.455 2.894 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CCn1cccn1 ZINC001343557984 1052305617 /nfs/dbraw/zinc/30/56/17/1052305617.db2.gz PTQJBEAUGBRNOE-UHFFFAOYSA-N -1 3 369.454 2.613 20 10 FFCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc([S@](C)=O)cc1 ZINC001478374584 1061990769 /nfs/dbraw/zinc/99/07/69/1061990769.db2.gz MRXRUSKVSNTHRG-JNDILOIQSA-N -1 3 350.415 2.829 20 10 FFCDHM CC(C)OCCCNC(=O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001560673815 1076290435 /nfs/dbraw/zinc/29/04/35/1076290435.db2.gz CHFHZFJJEHLERY-UHFFFAOYSA-N -1 3 370.440 2.814 20 10 FFCDHM C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC001589934977 1080877541 /nfs/dbraw/zinc/87/75/41/1080877541.db2.gz PUXPIMZUDOWFBN-NEPJUHHUSA-N -1 3 352.398 2.694 20 10 FFCDHM C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC001589934977 1080877545 /nfs/dbraw/zinc/87/75/45/1080877545.db2.gz PUXPIMZUDOWFBN-NEPJUHHUSA-N -1 3 352.398 2.694 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953802 1080899560 /nfs/dbraw/zinc/89/95/60/1080899560.db2.gz VYCSSHGOQGWHHR-QWHCGFSZSA-N -1 3 367.457 2.981 20 10 FFCDHM COc1cc(Br)cc(CN2CCC[C@@H]2c2ncon2)c1[O-] ZINC000371376783 512361503 /nfs/dbraw/zinc/36/15/03/512361503.db2.gz ZTQSBBWEVKSNAT-LLVKDONJSA-N -1 3 354.204 2.883 20 10 FFCDHM COc1ccc(N2CCCN([C@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1 ZINC000052467002 507810322 /nfs/dbraw/zinc/81/03/22/507810322.db2.gz WSHNPMJWPVHEBX-OAHLLOKOSA-N -1 3 358.442 2.531 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC(CN3CCCCC3=O)CC2)c1[O-] ZINC000079437288 507962417 /nfs/dbraw/zinc/96/24/17/507962417.db2.gz AURGYYOQQJZWJX-UHFFFAOYSA-N -1 3 362.445 2.958 20 10 FFCDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109770811 507986100 /nfs/dbraw/zinc/98/61/00/507986100.db2.gz NYBDYPQJNKDSFQ-GFCCVEGCSA-N -1 3 359.382 2.768 20 10 FFCDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccccn1 ZINC000104365980 508333299 /nfs/dbraw/zinc/33/32/99/508333299.db2.gz IOQREMBIVUUSIP-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccccn1 ZINC000104365980 508333302 /nfs/dbraw/zinc/33/33/02/508333302.db2.gz IOQREMBIVUUSIP-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM CCS[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267360108 509466537 /nfs/dbraw/zinc/46/65/37/509466537.db2.gz PKKCBCXUKOQJRY-YPMHNXCESA-N -1 3 372.512 2.558 20 10 FFCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000267449625 509490516 /nfs/dbraw/zinc/49/05/16/509490516.db2.gz LSJNCYOYZOLEKB-UHFFFAOYSA-N -1 3 365.426 2.769 20 10 FFCDHM Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)c([O-])c1O ZINC000186825196 509906393 /nfs/dbraw/zinc/90/63/93/509906393.db2.gz UOCDSYWYTHMBHK-INIZCTEOSA-N -1 3 355.369 2.798 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C3CCOCC3)CC2)c1[O-] ZINC000177365758 510015796 /nfs/dbraw/zinc/01/57/96/510015796.db2.gz XPUPIHJPGUIHTA-UHFFFAOYSA-N -1 3 352.862 2.545 20 10 FFCDHM Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c([O-])c1O ZINC000181819690 510611282 /nfs/dbraw/zinc/61/12/82/510611282.db2.gz ZRQVLIJJIKXAHD-UHFFFAOYSA-N -1 3 356.422 2.515 20 10 FFCDHM O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1c(F)ccc(O)c1[O-] ZINC000276535046 510939741 /nfs/dbraw/zinc/93/97/41/510939741.db2.gz FOJBHEMKZBTTFL-LBPRGKRZSA-N -1 3 364.442 2.940 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000277063836 510953630 /nfs/dbraw/zinc/95/36/30/510953630.db2.gz WKQYRYYIGQYPBG-CQSZACIVSA-N -1 3 367.829 2.506 20 10 FFCDHM COc1c([O-])c(CNc2ccccc2N2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000278309648 510988373 /nfs/dbraw/zinc/98/83/73/510988373.db2.gz DTXWPQRJDNGPGB-UHFFFAOYSA-N -1 3 373.409 2.882 20 10 FFCDHM COCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCC1 ZINC000286356049 511023573 /nfs/dbraw/zinc/02/35/73/511023573.db2.gz PEZQGBWWJABSMI-UHFFFAOYSA-N -1 3 352.818 2.627 20 10 FFCDHM CN(C)S(=O)(=O)c1ccccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294323608 511027219 /nfs/dbraw/zinc/02/72/19/511027219.db2.gz REBQCSHVTBTCQA-UHFFFAOYSA-N -1 3 372.849 2.725 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1O ZINC000271331184 511166897 /nfs/dbraw/zinc/16/68/97/511166897.db2.gz YXSHPJHLJACMRA-CQSZACIVSA-N -1 3 373.384 2.582 20 10 FFCDHM CN1CCCN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000294834160 511193033 /nfs/dbraw/zinc/19/30/33/511193033.db2.gz LWKAMVXQWUPWHY-UHFFFAOYSA-N -1 3 359.401 2.631 20 10 FFCDHM Cc1cc(Br)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280144116 511351728 /nfs/dbraw/zinc/35/17/28/511351728.db2.gz DGFOZHSYQWCDSW-MLGOLLRUSA-N -1 3 356.260 2.843 20 10 FFCDHM CN(CC1CCN(C(=O)c2cccc(O)c2[O-])CC1)C(=O)OC(C)(C)C ZINC000280368345 511439320 /nfs/dbraw/zinc/43/93/20/511439320.db2.gz CKFMWNLUXONFMZ-UHFFFAOYSA-N -1 3 364.442 2.817 20 10 FFCDHM COCCOCCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272762338 511506699 /nfs/dbraw/zinc/50/66/99/511506699.db2.gz QNVJBQLYKCMXEX-UHFFFAOYSA-N -1 3 359.422 2.712 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000273610853 511550838 /nfs/dbraw/zinc/55/08/38/511550838.db2.gz VTJZLKZODUXHLJ-KBXCAEBGSA-N -1 3 370.449 2.529 20 10 FFCDHM COc1ccccc1[C@H](NCc1cc2c(cc1[O-])OCO2)c1noc(C)n1 ZINC000363538246 511613937 /nfs/dbraw/zinc/61/39/37/511613937.db2.gz OZFMRNVUAIWTGA-SFHVURJKSA-N -1 3 369.377 2.700 20 10 FFCDHM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000274926581 511990329 /nfs/dbraw/zinc/99/03/29/511990329.db2.gz CFKHQYSNXNXDIO-UHFFFAOYSA-N -1 3 372.446 2.848 20 10 FFCDHM O=C(c1cccc(NCc2c([O-])cccc2Cl)n1)N1CCC[C@@H]1CO ZINC000275213748 512077051 /nfs/dbraw/zinc/07/70/51/512077051.db2.gz IHTIQKBOFFNXAP-GFCCVEGCSA-N -1 3 361.829 2.650 20 10 FFCDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1[O-] ZINC000367830415 512679857 /nfs/dbraw/zinc/67/98/57/512679857.db2.gz BWHLYIFQAHPEBH-CQSZACIVSA-N -1 3 361.891 2.843 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN[C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000528654761 516595935 /nfs/dbraw/zinc/59/59/35/516595935.db2.gz XFEWZGBCJMNZNJ-LJQANCHMSA-N -1 3 361.825 2.704 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822206108 607280972 /nfs/dbraw/zinc/28/09/72/607280972.db2.gz USRYLWPAQQGKEJ-UHFFFAOYSA-N -1 3 365.441 2.871 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822206108 607280973 /nfs/dbraw/zinc/28/09/73/607280973.db2.gz USRYLWPAQQGKEJ-UHFFFAOYSA-N -1 3 365.441 2.871 20 10 FFCDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2OC)c(OC)c1 ZINC000826208854 607753847 /nfs/dbraw/zinc/75/38/47/607753847.db2.gz CMVDTWOABGNZSX-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccc2OC)c(OC)c1 ZINC000826208854 607753848 /nfs/dbraw/zinc/75/38/48/607753848.db2.gz CMVDTWOABGNZSX-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM O=C1NCCN(Cc2cc(Br)ccc2[O-])[C@H]1c1ccccc1 ZINC000092674794 728469987 /nfs/dbraw/zinc/46/99/87/728469987.db2.gz FYNNJDPAOLNULL-INIZCTEOSA-N -1 3 361.239 2.828 20 10 FFCDHM COC(=O)CN(CCOCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000109779567 728528814 /nfs/dbraw/zinc/52/88/14/728528814.db2.gz NHTCCJDUBMEOHY-UHFFFAOYSA-N -1 3 355.740 2.600 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC2CCC2)c1 ZINC000856271787 730320299 /nfs/dbraw/zinc/32/02/99/730320299.db2.gz MPIJJYHMWUUBQT-HNNXBMFYSA-N -1 3 366.483 2.949 20 10 FFCDHM COC(=O)[C@H](C[C@H]1CCCOC1)NCc1ccc(Br)cc1[O-] ZINC000862515732 730705859 /nfs/dbraw/zinc/70/58/59/730705859.db2.gz BDXAEFNTTSLURJ-RISCZKNCSA-N -1 3 372.259 2.603 20 10 FFCDHM C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863024332 730743498 /nfs/dbraw/zinc/74/34/98/730743498.db2.gz NGXCTCARLHFLBV-VXGBXAGGSA-N -1 3 350.415 2.616 20 10 FFCDHM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000872477083 731776595 /nfs/dbraw/zinc/77/65/95/731776595.db2.gz CVTGKMMBUDORLR-YTEVENLXSA-N -1 3 361.533 2.544 20 10 FFCDHM CC(=O)NCCN(Cc1cc(Cl)ccc1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000781528446 738634689 /nfs/dbraw/zinc/63/46/89/738634689.db2.gz ANAMWVCSKARACW-GFCCVEGCSA-N -1 3 370.877 2.714 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000781907063 738670871 /nfs/dbraw/zinc/67/08/71/738670871.db2.gz CUDYAWFRZJHRDZ-MNOVXSKESA-N -1 3 364.305 2.717 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000781895461 738668941 /nfs/dbraw/zinc/66/89/41/738668941.db2.gz SSOHJAKEEPVUEW-OAHLLOKOSA-N -1 3 369.303 2.760 20 10 FFCDHM COC(=O)CN(Cc1cc(C)cc(Br)c1[O-])C1CCOCC1 ZINC000781909098 738670777 /nfs/dbraw/zinc/67/07/77/738670777.db2.gz PQISAIAUXRICOQ-UHFFFAOYSA-N -1 3 372.259 2.617 20 10 FFCDHM CC(C)[C@@H](NCc1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000883116846 733337305 /nfs/dbraw/zinc/33/73/05/733337305.db2.gz HUNOXFBZVUTYCI-GFCCVEGCSA-N -1 3 357.227 2.909 20 10 FFCDHM CSCc1nnc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])[n-]1 ZINC000886326117 733773691 /nfs/dbraw/zinc/77/36/91/733773691.db2.gz BDISFGUSXXUOBT-UHFFFAOYSA-N -1 3 357.277 2.734 20 10 FFCDHM CCc1nsc(N2CCCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC000894083035 734798079 /nfs/dbraw/zinc/79/80/79/734798079.db2.gz ASJWJEJEGBNIBO-UHFFFAOYSA-N -1 3 354.426 2.797 20 10 FFCDHM O=C1NCCC2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)O1 ZINC000897010188 735191788 /nfs/dbraw/zinc/19/17/88/735191788.db2.gz HQLAIKKBMSNFBR-UHFFFAOYSA-N -1 3 373.222 2.758 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](N3CCCC3=O)C2)c1[O-] ZINC000750045226 735768017 /nfs/dbraw/zinc/76/80/17/735768017.db2.gz NHNLVIDIJJUTBO-HNNXBMFYSA-N -1 3 350.846 2.835 20 10 FFCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000752094608 735956884 /nfs/dbraw/zinc/95/68/84/735956884.db2.gz RPWHTULXRYDWBB-SJORKVTESA-N -1 3 350.434 2.955 20 10 FFCDHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000762568866 736838275 /nfs/dbraw/zinc/83/82/75/736838275.db2.gz LXBGQPSEOIEVOE-CHWSQXEVSA-N -1 3 372.512 2.510 20 10 FFCDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000769467598 737532951 /nfs/dbraw/zinc/53/29/51/737532951.db2.gz YBBBTBOQGUQNBZ-CQSZACIVSA-N -1 3 372.259 2.697 20 10 FFCDHM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])Nc2cc(F)ccc21 ZINC000917503014 737761282 /nfs/dbraw/zinc/76/12/82/737761282.db2.gz WUPXCBABZPTHAO-CYBMUJFWSA-N -1 3 353.147 2.854 20 10 FFCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741735 738120236 /nfs/dbraw/zinc/12/02/36/738120236.db2.gz PZANGJMADPRIBT-BDJLRTHQSA-N -1 3 353.825 2.864 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000928710842 738898249 /nfs/dbraw/zinc/89/82/49/738898249.db2.gz WTDGUPKPQBMYSV-VIFPVBQESA-N -1 3 357.307 2.940 20 10 FFCDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000787606205 739150846 /nfs/dbraw/zinc/15/08/46/739150846.db2.gz OBRDVLVRERZNML-UHFFFAOYSA-N -1 3 356.256 2.955 20 10 FFCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000790911588 739512250 /nfs/dbraw/zinc/51/22/50/739512250.db2.gz IACYBAYEYHWMFV-NEPJUHHUSA-N -1 3 350.415 2.568 20 10 FFCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000792178293 739647124 /nfs/dbraw/zinc/64/71/24/739647124.db2.gz AYNZQMMZKVJRML-OAHLLOKOSA-N -1 3 366.211 2.864 20 10 FFCDHM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1c([O-])cccc1Cl)CC2 ZINC000792176740 739647289 /nfs/dbraw/zinc/64/72/89/739647289.db2.gz KICNLISYJYVRTJ-UHFFFAOYSA-N -1 3 366.870 2.859 20 10 FFCDHM COC(=O)CN(CCC(C)(C)C(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000792821208 739710193 /nfs/dbraw/zinc/71/01/93/739710193.db2.gz ZTLJPCJRQRWIGG-UHFFFAOYSA-N -1 3 357.834 2.610 20 10 FFCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031276 740093917 /nfs/dbraw/zinc/09/39/17/740093917.db2.gz IXNKGPJRQKQZLI-WBMJQRKESA-N -1 3 356.260 2.925 20 10 FFCDHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C ZINC000796455511 740144792 /nfs/dbraw/zinc/14/47/92/740144792.db2.gz MHJPSBLBLAYHDW-AGIUHOORSA-N -1 3 354.472 2.566 20 10 FFCDHM O=Cc1c[nH]c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000815835463 741964436 /nfs/dbraw/zinc/96/44/36/741964436.db2.gz URJWAHCUIFAXMG-HNNXBMFYSA-N -1 3 361.829 2.581 20 10 FFCDHM CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000816518639 742037413 /nfs/dbraw/zinc/03/74/13/742037413.db2.gz IMAXVQKBZPVGFA-UHFFFAOYSA-N -1 3 362.788 2.913 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)ncc1F ZINC000823444103 742912103 /nfs/dbraw/zinc/91/21/03/742912103.db2.gz PUJQQXYOLXZHMN-UHFFFAOYSA-N -1 3 356.756 2.894 20 10 FFCDHM [O-]c1cc(Br)ccc1CN1CCN(Cc2ccccn2)CC1 ZINC000824541545 743101589 /nfs/dbraw/zinc/10/15/89/743101589.db2.gz CKUAGMCELHEIMP-UHFFFAOYSA-N -1 3 362.271 2.868 20 10 FFCDHM C[C@H]1CN=C(N2CCN(Cc3ccc(Br)cc3[O-])CC2)S1 ZINC000824862448 743167120 /nfs/dbraw/zinc/16/71/20/743167120.db2.gz ILAMYQZPEWNHOD-NSHDSACASA-N -1 3 370.316 2.764 20 10 FFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC000824943906 743182930 /nfs/dbraw/zinc/18/29/30/743182930.db2.gz VYGVYJYGDZPXES-IIAWOOMASA-N -1 3 356.260 2.923 20 10 FFCDHM O=C1CN(Cc2ccc(Br)cc2[O-])CN1CCC(F)(F)F ZINC000826048199 743361257 /nfs/dbraw/zinc/36/12/57/743361257.db2.gz FXXWGHYKYWDPNW-UHFFFAOYSA-N -1 3 367.165 2.709 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544860 743598368 /nfs/dbraw/zinc/59/83/68/743598368.db2.gz MOKMYPHRKJCKCA-CYBMUJFWSA-N -1 3 370.291 2.651 20 10 FFCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1C(=O)c1cscn1 ZINC000835057325 745941424 /nfs/dbraw/zinc/94/14/24/745941424.db2.gz NLKHJAGDCSXFHG-NSHDSACASA-N -1 3 351.859 2.849 20 10 FFCDHM CC(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C(C)C ZINC000836890965 746326000 /nfs/dbraw/zinc/32/60/00/746326000.db2.gz UNTYFJZGZWMDCE-HOCLYGCPSA-N -1 3 354.472 2.516 20 10 FFCDHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000844662580 748069498 /nfs/dbraw/zinc/06/94/98/748069498.db2.gz GUBQHTUHWUTLKK-MRXNPFEDSA-N -1 3 373.471 2.791 20 10 FFCDHM O=C1N(Cc2ncccn2)CC[C@@]12CCCN2Cc1c([O-])cccc1Cl ZINC001275837637 1013067679 /nfs/dbraw/zinc/06/76/79/1013067679.db2.gz KVXJVRIWUNENOA-IBGZPJMESA-N -1 3 372.856 2.603 20 10 FFCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000123883658 1013122263 /nfs/dbraw/zinc/12/22/63/1013122263.db2.gz AQRLMDVDGXYBNC-UHFFFAOYSA-N -1 3 373.438 2.601 20 10 FFCDHM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894753243 965666972 /nfs/dbraw/zinc/66/69/72/965666972.db2.gz RUKOYUBOWXPNJN-LSDHHAIUSA-N -1 3 370.396 2.540 20 10 FFCDHM COc1cccc(N2CC[C@@H](CNC(=O)NCc3c([O-])cccc3F)C2)c1 ZINC000916231831 989761451 /nfs/dbraw/zinc/76/14/51/989761451.db2.gz XLQAXUMVHAGKHY-AWEZNQCLSA-N -1 3 373.428 2.866 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000919811437 990736262 /nfs/dbraw/zinc/73/62/62/990736262.db2.gz XLOXDQXKMOBBJB-UHFFFAOYSA-N -1 3 374.462 2.615 20 10 FFCDHM C[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593231288 994372851 /nfs/dbraw/zinc/37/28/51/994372851.db2.gz OMAJYCWUQDFSNE-CQSZACIVSA-N -1 3 355.438 2.764 20 10 FFCDHM CC1(c2ccccc2)CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000730036453 996788439 /nfs/dbraw/zinc/78/84/39/996788439.db2.gz UJXVNIMYJGOGIS-UHFFFAOYSA-N -1 3 374.462 2.614 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001144306827 998302191 /nfs/dbraw/zinc/30/21/91/998302191.db2.gz RYKGBXGDRXWYMC-UHFFFAOYSA-N -1 3 361.230 2.912 20 10 FFCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1c1ccccc1 ZINC000769719393 1000585932 /nfs/dbraw/zinc/58/59/32/1000585932.db2.gz IBOARGJBHDKYGG-QGZVFWFLSA-N -1 3 374.462 2.987 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c([O-])c1O ZINC000770484071 1000811400 /nfs/dbraw/zinc/81/14/00/1000811400.db2.gz OLMSWAOXQCMALY-UHFFFAOYSA-N -1 3 372.402 2.854 20 10 FFCDHM O=C(Nc1ccc(Oc2cc[nH]c(=O)c2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148586897 1001175035 /nfs/dbraw/zinc/17/50/35/1001175035.db2.gz YRVZQELARLTGKZ-UHFFFAOYSA-N -1 3 354.318 2.949 20 10 FFCDHM O=C(NCc1ccc(C2(C(F)(F)F)N=N2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148589687 1001176599 /nfs/dbraw/zinc/17/65/99/1001176599.db2.gz HERUYZVHFJMLMA-UHFFFAOYSA-N -1 3 367.283 2.914 20 10 FFCDHM CC(=O)C1CCN(Cc2ccc(I)cc2[O-])CC1 ZINC001232978595 1036209565 /nfs/dbraw/zinc/20/95/65/1036209565.db2.gz LGOMXVFWGYSZEY-UHFFFAOYSA-N -1 3 359.207 2.798 20 10 FFCDHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC001182653374 1002001904 /nfs/dbraw/zinc/00/19/04/1002001904.db2.gz IBOBXMQIUHBZRS-CYBMUJFWSA-N -1 3 368.384 2.842 20 10 FFCDHM COc1c([O-])c(CNc2ccc3ccn(C)c(=O)c3c2)ccc1[N+](=O)[O-] ZINC000793620369 1003446348 /nfs/dbraw/zinc/44/63/48/1003446348.db2.gz OIMIADWQIUGIIE-UHFFFAOYSA-N -1 3 355.350 2.773 20 10 FFCDHM Cc1nc(NC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)cc(=O)[n-]1 ZINC001193164070 1004395340 /nfs/dbraw/zinc/39/53/40/1004395340.db2.gz PHIGSYLTFKBCJP-UHFFFAOYSA-N -1 3 355.423 2.932 20 10 FFCDHM O=S(=O)(NCc1c([O-])cccc1F)c1c[nH]c2nccc(Cl)c12 ZINC001195138313 1004900805 /nfs/dbraw/zinc/90/08/05/1004900805.db2.gz WWHPSUMNHKHKFP-UHFFFAOYSA-N -1 3 355.778 2.540 20 10 FFCDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816921795 1007258272 /nfs/dbraw/zinc/25/82/72/1007258272.db2.gz HDVBEVZIKFXCHO-OAHLLOKOSA-N -1 3 369.421 2.587 20 10 FFCDHM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000818639272 1007957808 /nfs/dbraw/zinc/95/78/08/1007957808.db2.gz JVLYBCUNERSJGY-MLGOLLRUSA-N -1 3 372.396 2.719 20 10 FFCDHM CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000862613433 1009901875 /nfs/dbraw/zinc/90/18/75/1009901875.db2.gz FKTLRTDBZOGQKZ-AWEZNQCLSA-N -1 3 364.442 2.815 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000863066643 1010103061 /nfs/dbraw/zinc/10/30/61/1010103061.db2.gz PAXGXVBOCDZEMN-UHFFFAOYSA-N -1 3 357.410 2.843 20 10 FFCDHM O=C(NC1(C(=O)NCc2c([O-])cccc2F)CC1)OCc1ccccc1 ZINC000928707824 1019084369 /nfs/dbraw/zinc/08/43/69/1019084369.db2.gz CMFWWHMFGXQKEM-UHFFFAOYSA-N -1 3 358.369 2.607 20 10 FFCDHM CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000801550983 1019104057 /nfs/dbraw/zinc/10/40/57/1019104057.db2.gz GFIWBLCMBSVTAW-UHFFFAOYSA-N -1 3 352.390 2.718 20 10 FFCDHM COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C)c(O)c3[O-])n2)c[nH]1 ZINC000751533772 1022857822 /nfs/dbraw/zinc/85/78/22/1022857822.db2.gz RSLAWLSBNUOCLD-UHFFFAOYSA-N -1 3 373.390 2.897 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CC[C@H](C)[NH2+]C3)c1C2=O ZINC001218398774 1033138056 /nfs/dbraw/zinc/13/80/56/1033138056.db2.gz NFTYXNVXSPSERQ-AAEUAGOBSA-N -1 3 367.401 2.701 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392309 1023703791 /nfs/dbraw/zinc/70/37/91/1023703791.db2.gz NJQZXICEZJTHNK-OLZOCXBDSA-N -1 3 358.442 2.909 20 10 FFCDHM COCCOc1cccc(N2CCN(Cc3c([O-])cccc3F)CC2)c1 ZINC001137839539 1033183418 /nfs/dbraw/zinc/18/34/18/1033183418.db2.gz CCYOJWTUWUGUBT-UHFFFAOYSA-N -1 3 360.429 2.879 20 10 FFCDHM Cc1nc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2n1[C@H](C)CO ZINC000837054151 1025536997 /nfs/dbraw/zinc/53/69/97/1025536997.db2.gz JLGINSAYHVKOOP-LLVKDONJSA-N -1 3 355.394 2.870 20 10 FFCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000837236287 1025673573 /nfs/dbraw/zinc/67/35/73/1025673573.db2.gz IBZFFVULPXHQRR-STQMWFEESA-N -1 3 364.442 2.721 20 10 FFCDHM COC(=O)CCCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780940135 1028884430 /nfs/dbraw/zinc/88/44/30/1028884430.db2.gz NUFYOIVHNXPWLJ-UHFFFAOYSA-N -1 3 359.378 2.991 20 10 FFCDHM O=C(c1cccc(F)c1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232261686 1035534266 /nfs/dbraw/zinc/53/42/66/1035534266.db2.gz MAIWEMPCVYLNBM-UHFFFAOYSA-N -1 3 364.804 2.848 20 10 FFCDHM CCOC[C@H]1Cn2nccc2CN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232265784 1035538195 /nfs/dbraw/zinc/53/81/95/1035538195.db2.gz QIBPLBFUOUEASS-CYBMUJFWSA-N -1 3 365.861 2.919 20 10 FFCDHM C[C@@H](O)CCCC(=O)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580293 1035616595 /nfs/dbraw/zinc/61/65/95/1035616595.db2.gz LLBUBDPFAZSTNU-LLVKDONJSA-N -1 3 354.358 2.624 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]2C1 ZINC001140583038 1035663404 /nfs/dbraw/zinc/66/34/04/1035663404.db2.gz UPGOFUBWCHXIOJ-TXEJJXNPSA-N -1 3 354.397 2.969 20 10 FFCDHM Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)CN(C)C)c1C2=O ZINC001227995035 1035858419 /nfs/dbraw/zinc/85/84/19/1035858419.db2.gz QZLHNVNPRDVAKO-NSHDSACASA-N -1 3 355.390 2.511 20 10 FFCDHM COc1cc([O-])c(CN2CC(Oc3cccnc3)C2)cc1Br ZINC001233138487 1036389984 /nfs/dbraw/zinc/38/99/84/1036389984.db2.gz AJEPXGZSMZQHFT-UHFFFAOYSA-N -1 3 365.227 2.822 20 10 FFCDHM COc1cc([O-])c(CN2CCOC3(CCOCC3)C2)cc1Br ZINC001233141446 1036393387 /nfs/dbraw/zinc/39/33/87/1036393387.db2.gz JBLXZZVGJVAJIU-UHFFFAOYSA-N -1 3 372.259 2.545 20 10 FFCDHM CS(=O)(=O)n1cc2c(n1)CN(Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234999725 1037289252 /nfs/dbraw/zinc/28/92/52/1037289252.db2.gz YHBHUXPUFXQIJM-UHFFFAOYSA-N -1 3 369.446 2.579 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001235068021 1037338648 /nfs/dbraw/zinc/33/86/48/1037338648.db2.gz BZSHTRKHHDYTBS-UHFFFAOYSA-N -1 3 361.230 2.912 20 10 FFCDHM O=C([O-])c1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c([O-])c1 ZINC001231453916 1037594087 /nfs/dbraw/zinc/59/40/87/1037594087.db2.gz RJICWXHPWVXTEC-UHFFFAOYSA-N -1 3 360.454 2.751 20 10 FFCDHM COc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2O)cc(OC)c1OC ZINC001231455464 1037597104 /nfs/dbraw/zinc/59/71/04/1037597104.db2.gz OWBSSGOVZPBQQJ-UHFFFAOYSA-N -1 3 361.394 2.748 20 10 FFCDHM CCOC(=O)[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001231562696 1037686985 /nfs/dbraw/zinc/68/69/85/1037686985.db2.gz KRUIWRWRDFWTQE-OIISXLGYSA-N -1 3 361.438 2.892 20 10 FFCDHM CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001231562696 1037686990 /nfs/dbraw/zinc/68/69/90/1037686990.db2.gz KRUIWRWRDFWTQE-OIISXLGYSA-N -1 3 361.438 2.892 20 10 FFCDHM CCOc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231567233 1037691246 /nfs/dbraw/zinc/69/12/46/1037691246.db2.gz XSRRKHDGRIIEJA-UHFFFAOYSA-N -1 3 356.422 2.811 20 10 FFCDHM O=C([O-])c1ccc(O)c(CN2CCN(C3(c4ccccc4)CC3)CC2)c1 ZINC001231566499 1037692616 /nfs/dbraw/zinc/69/26/16/1037692616.db2.gz MNYHSQAVUMLADN-UHFFFAOYSA-N -1 3 352.434 2.897 20 10 FFCDHM CCn1nnc2c1CCN(Cc1cc(Cl)c(C)cc1[O-])[C@H]2COC ZINC001231867001 1037960825 /nfs/dbraw/zinc/96/08/25/1037960825.db2.gz GHLZITYKXVWLGS-HNNXBMFYSA-N -1 3 350.850 2.711 20 10 FFCDHM CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605979 1038623399 /nfs/dbraw/zinc/62/33/99/1038623399.db2.gz RYKUIIFQMJYTTK-FQEVSTJZSA-N -1 3 360.454 2.848 20 10 FFCDHM CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605979 1038623400 /nfs/dbraw/zinc/62/34/00/1038623400.db2.gz RYKUIIFQMJYTTK-FQEVSTJZSA-N -1 3 360.454 2.848 20 10 FFCDHM CC[C@@H](C)N1CCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3[O-])CC2)C1=O ZINC001276649193 1038948954 /nfs/dbraw/zinc/94/89/54/1038948954.db2.gz KPKMGCDVJNUXMT-CQSZACIVSA-N -1 3 360.454 2.703 20 10 FFCDHM Cc1cc(CN2C[C@H](CO)CC(F)(F)C2)c([O-])cc1Br ZINC001250120907 1041122007 /nfs/dbraw/zinc/12/20/07/1041122007.db2.gz UNMJYMVFICRGGB-SNVBAGLBSA-N -1 3 350.203 2.913 20 10 FFCDHM [O-]c1cccc(F)c1CN1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001279421807 1043093232 /nfs/dbraw/zinc/09/32/32/1043093232.db2.gz PGAUUUYQTLBLGR-BETUJISGSA-N -1 3 362.367 2.759 20 10 FFCDHM COC1(CC(=O)N2CCC3(CN(Cc4c([O-])cccc4F)C3)C2)CCC1 ZINC001279421809 1043093835 /nfs/dbraw/zinc/09/38/35/1043093835.db2.gz PHQVBBHGQZHJQJ-UHFFFAOYSA-N -1 3 362.445 2.525 20 10 FFCDHM Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cccc(Cl)c2[O-])n(C)n1 ZINC001279442753 1043119291 /nfs/dbraw/zinc/11/92/91/1043119291.db2.gz UNACLYSWHUAYMX-IYBDPMFKSA-N -1 3 360.889 2.936 20 10 FFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001237620073 1043278074 /nfs/dbraw/zinc/27/80/74/1043278074.db2.gz SQYVIWNFAXGJEH-KRWDZBQOSA-N -1 3 364.848 2.863 20 10 FFCDHM Cc1ncc(CN(C)Cc2cccc(I)c2[O-])cn1 ZINC001237784758 1043355858 /nfs/dbraw/zinc/35/58/58/1043355858.db2.gz YQIHZZODSOJTOT-UHFFFAOYSA-N -1 3 369.206 2.727 20 10 FFCDHM COc1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1Cl ZINC001279666530 1043432129 /nfs/dbraw/zinc/43/21/29/1043432129.db2.gz CVBADWBWSABAQS-KBPBESRZSA-N -1 3 367.877 2.821 20 10 FFCDHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001326983775 1047152422 /nfs/dbraw/zinc/15/24/22/1047152422.db2.gz PZTNZCJMFQKPLS-UHFFFAOYSA-N -1 3 368.481 2.976 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001340209229 1050616313 /nfs/dbraw/zinc/61/63/13/1050616313.db2.gz JYILPKHUHFMOKP-WCQYABFASA-N -1 3 371.466 2.803 20 10 FFCDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2F)c1 ZINC001309225309 1052578485 /nfs/dbraw/zinc/57/84/85/1052578485.db2.gz DWVWBYAKEYOUJZ-MRVPVSSYSA-N -1 3 360.794 2.628 20 10 FFCDHM CC(C)O[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001338590129 1055649682 /nfs/dbraw/zinc/64/96/82/1055649682.db2.gz ZDVSVYRLXQEFKY-LLVKDONJSA-N -1 3 359.455 2.801 20 10 FFCDHM COC(=O)c1n[nH]c2ccc(NC(=O)NCc3c([O-])cccc3F)cc21 ZINC001200607211 1058762756 /nfs/dbraw/zinc/76/27/56/1058762756.db2.gz UWCSCPTWQDDHQW-UHFFFAOYSA-N -1 3 358.329 2.516 20 10 FFCDHM O=C([N-]Cc1ccc(O)cc1O)C(F)(F)c1ncccc1Br ZINC001451749476 1059141387 /nfs/dbraw/zinc/14/13/87/1059141387.db2.gz GEGRFBCGISSRJA-UHFFFAOYSA-N -1 3 373.153 2.664 20 10 FFCDHM CCCN1Cc2cccc(NC(=O)C(=O)NCc3c([O-])cccc3F)c2C1 ZINC001354550576 1059149373 /nfs/dbraw/zinc/14/93/73/1059149373.db2.gz LKHULBXLSRXUMO-UHFFFAOYSA-N -1 3 371.412 2.512 20 10 FFCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848226492 1059410992 /nfs/dbraw/zinc/41/09/92/1059410992.db2.gz UERIKCGVRZGLKN-ZDUSSCGKSA-N -1 3 354.454 2.795 20 10 FFCDHM COC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc2ccccc21 ZINC001455839120 1059928960 /nfs/dbraw/zinc/92/89/60/1059928960.db2.gz MCPYVECIKVZKFA-QGZVFWFLSA-N -1 3 351.358 2.895 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c1 ZINC001580047329 1078738186 /nfs/dbraw/zinc/73/81/86/1078738186.db2.gz ZNNODAJYVGJJLM-GFCCVEGCSA-N -1 3 367.409 2.689 20 10 FFCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1 ZINC001580047329 1078738191 /nfs/dbraw/zinc/73/81/91/1078738191.db2.gz ZNNODAJYVGJJLM-GFCCVEGCSA-N -1 3 367.409 2.689 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001558457451 1076010192 /nfs/dbraw/zinc/01/01/92/1076010192.db2.gz NECJWEOIAYOKRY-UHFFFAOYSA-N -1 3 356.275 2.805 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC2(CCC2)CO1 ZINC001559607624 1076176789 /nfs/dbraw/zinc/17/67/89/1076176789.db2.gz SFYWDSPHZXYONT-OAHLLOKOSA-N -1 3 353.846 2.980 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(Cc1cc(F)ccc1[O-])CCO2 ZINC001561057782 1076326394 /nfs/dbraw/zinc/32/63/94/1076326394.db2.gz XOZIWJRYZVNHOE-IBGZPJMESA-N -1 3 366.433 2.743 20 10 FFCDHM C[C@@H]1[C@H](C)N(C(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC001566941127 1076989775 /nfs/dbraw/zinc/98/97/75/1076989775.db2.gz AQUPSIZQAJCROR-NWDGAFQWSA-N -1 3 350.415 2.568 20 10 FFCDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001589897843 1080846447 /nfs/dbraw/zinc/84/64/47/1080846447.db2.gz OMVPYIJUSDNOJU-STQMWFEESA-N -1 3 351.410 2.628 20 10 FFCDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001589897843 1080846448 /nfs/dbraw/zinc/84/64/48/1080846448.db2.gz OMVPYIJUSDNOJU-STQMWFEESA-N -1 3 351.410 2.628 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589950923 1080894946 /nfs/dbraw/zinc/89/49/46/1080894946.db2.gz YJMIXDKGLFWSHV-MNOVXSKESA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589950923 1080894955 /nfs/dbraw/zinc/89/49/55/1080894955.db2.gz YJMIXDKGLFWSHV-MNOVXSKESA-N -1 3 354.370 2.892 20 10 FFCDHM C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962602 1080906266 /nfs/dbraw/zinc/90/62/66/1080906266.db2.gz HRMNHKHMAMOYHL-LSDHHAIUSA-N -1 3 364.453 2.749 20 10 FFCDHM C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590006560 1080933255 /nfs/dbraw/zinc/93/32/55/1080933255.db2.gz AAGSNXYOSPJSJH-IOCXFXADSA-N -1 3 352.350 2.596 20 10 FFCDHM C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590006560 1080933258 /nfs/dbraw/zinc/93/32/58/1080933258.db2.gz AAGSNXYOSPJSJH-IOCXFXADSA-N -1 3 352.350 2.596 20 10 FFCDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(OC)c3O)nc2)n1 ZINC000091479336 507988621 /nfs/dbraw/zinc/98/86/21/507988621.db2.gz UDBSPFPEHUYWDX-UHFFFAOYSA-N -1 3 352.394 2.721 20 10 FFCDHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(C)Cc1ccccc1[O-] ZINC000111236492 508080956 /nfs/dbraw/zinc/08/09/56/508080956.db2.gz NOJBKQZOIDMVDX-UHFFFAOYSA-N -1 3 372.465 2.890 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000093908129 508160107 /nfs/dbraw/zinc/16/01/07/508160107.db2.gz PNCNJPOLRUMFIX-IUODEOHRSA-N -1 3 352.456 2.559 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000159556841 508857833 /nfs/dbraw/zinc/85/78/33/508857833.db2.gz VXLHUZGXVUEROP-WBVHZDCISA-N -1 3 363.385 2.651 20 10 FFCDHM CCN(C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1)CC(F)(F)F ZINC000182553849 509300286 /nfs/dbraw/zinc/30/02/86/509300286.db2.gz KINRXDORBNZCNR-LBPRGKRZSA-N -1 3 360.376 2.753 20 10 FFCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000173204161 509453552 /nfs/dbraw/zinc/45/35/52/509453552.db2.gz SHKVETZMAZMRCA-UHFFFAOYSA-N -1 3 367.365 2.576 20 10 FFCDHM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(F)ccc1[O-] ZINC000179994995 509703469 /nfs/dbraw/zinc/70/34/69/509703469.db2.gz IQXPSUHMIICHOG-UHFFFAOYSA-N -1 3 367.442 2.836 20 10 FFCDHM Cc1cc(Br)cc(CN2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000180066603 509735605 /nfs/dbraw/zinc/73/56/05/509735605.db2.gz GRXWDWZQJXCCIS-AWEZNQCLSA-N -1 3 351.248 2.892 20 10 FFCDHM Cc1cc(Br)cc(CN(CCS(C)(=O)=O)C(C)C)c1[O-] ZINC000180499618 509957336 /nfs/dbraw/zinc/95/73/36/509957336.db2.gz VLLZBWDZGLYTEB-UHFFFAOYSA-N -1 3 364.305 2.718 20 10 FFCDHM COc1cc(Cl)cc(CN2CCC[C@H]2C(=O)NCc2ccco2)c1[O-] ZINC000184678229 510456702 /nfs/dbraw/zinc/45/67/02/510456702.db2.gz NJQGKYZZNBLOJM-HNNXBMFYSA-N -1 3 364.829 2.928 20 10 FFCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185322576 510807173 /nfs/dbraw/zinc/80/71/73/510807173.db2.gz OFIROCGHLVIYRN-VXGBXAGGSA-N -1 3 352.431 2.851 20 10 FFCDHM COc1ccc(N2CCCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000172626456 510828093 /nfs/dbraw/zinc/82/80/93/510828093.db2.gz LRWBLYCRTDMKOT-UHFFFAOYSA-N -1 3 373.428 2.962 20 10 FFCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])Cc2ccccc21 ZINC000270467414 510878734 /nfs/dbraw/zinc/87/87/34/510878734.db2.gz BAOHFOQWNFYHSU-UHFFFAOYSA-N -1 3 374.462 2.697 20 10 FFCDHM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1=CCN(C)CC1 ZINC000277314529 510961063 /nfs/dbraw/zinc/96/10/63/510961063.db2.gz CZGHSKXROPKORP-NSHDSACASA-N -1 3 368.275 2.604 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCC1(O)CCC1 ZINC000287680098 511055383 /nfs/dbraw/zinc/05/53/83/511055383.db2.gz CAYFSIMOPZZLGG-UHFFFAOYSA-N -1 3 371.275 2.991 20 10 FFCDHM COC(=O)CN(Cc1ncnn1C(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000283157262 511257187 /nfs/dbraw/zinc/25/71/87/511257187.db2.gz OUYMZLZLJXDVNI-UHFFFAOYSA-N -1 3 366.849 2.567 20 10 FFCDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c([O-])c1O ZINC000292091609 511462083 /nfs/dbraw/zinc/46/20/83/511462083.db2.gz LDPYDXSVUCBCCD-ZDUSSCGKSA-N -1 3 369.421 2.817 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c([O-])c1O ZINC000272842456 511509726 /nfs/dbraw/zinc/50/97/26/511509726.db2.gz ROCJWJLBPYNZGE-UHFFFAOYSA-N -1 3 360.454 2.707 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC000273299407 511521545 /nfs/dbraw/zinc/52/15/45/511521545.db2.gz BAIJCTUCUIVCBY-ZDUSSCGKSA-N -1 3 356.422 2.731 20 10 FFCDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273424181 511525764 /nfs/dbraw/zinc/52/57/64/511525764.db2.gz SZLISKBIEIRMSE-LLVKDONJSA-N -1 3 354.859 2.805 20 10 FFCDHM COC(=O)CN(Cc1cn(C)nc1C(F)F)Cc1cc(Cl)ccc1[O-] ZINC000274517373 511860949 /nfs/dbraw/zinc/86/09/49/511860949.db2.gz XIUAKBHMRVFVIO-UHFFFAOYSA-N -1 3 373.787 2.892 20 10 FFCDHM Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000366403079 512002874 /nfs/dbraw/zinc/00/28/74/512002874.db2.gz SSTHQWYYWWLNPV-OAHLLOKOSA-N -1 3 363.845 2.665 20 10 FFCDHM Cc1ccc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c([O-])c1O ZINC000378372059 512724398 /nfs/dbraw/zinc/72/43/98/512724398.db2.gz ULLAPAMBFDINEI-UHFFFAOYSA-N -1 3 368.389 2.561 20 10 FFCDHM Cc1ccc(C(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)c([O-])c1O ZINC000374259238 512732862 /nfs/dbraw/zinc/73/28/62/512732862.db2.gz OIJISZYBEHNWMQ-UHFFFAOYSA-N -1 3 374.466 2.641 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C)(N3CCOCC3)CC2)c1[O-] ZINC000528726720 516650938 /nfs/dbraw/zinc/65/09/38/516650938.db2.gz BEJDSEHXOLWFCQ-UHFFFAOYSA-N -1 3 366.889 2.935 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1cncc1C ZINC000528833082 516738006 /nfs/dbraw/zinc/73/80/06/516738006.db2.gz QSYLALFQOKZOSF-UHFFFAOYSA-N -1 3 352.232 2.708 20 10 FFCDHM Cc1[n-][nH]c(=O)c1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000615223030 521319721 /nfs/dbraw/zinc/31/97/21/521319721.db2.gz WLYLYOHFCPXCIQ-UHFFFAOYSA-N -1 3 367.453 2.784 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737269274 599104932 /nfs/dbraw/zinc/10/49/32/599104932.db2.gz BJZGJKKKYKSKFE-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737269274 599104933 /nfs/dbraw/zinc/10/49/33/599104933.db2.gz BJZGJKKKYKSKFE-UHFFFAOYSA-N -1 3 351.414 2.563 20 10 FFCDHM CCN(CC)c1ccc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)cc1F ZINC000736533299 598556351 /nfs/dbraw/zinc/55/63/51/598556351.db2.gz YANJZXQZKDVSNW-UHFFFAOYSA-N -1 3 370.436 2.871 20 10 FFCDHM CCN(CC)c1ccc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)cc1F ZINC000736533299 598556353 /nfs/dbraw/zinc/55/63/53/598556353.db2.gz YANJZXQZKDVSNW-UHFFFAOYSA-N -1 3 370.436 2.871 20 10 FFCDHM COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737104910 598756277 /nfs/dbraw/zinc/75/62/77/598756277.db2.gz AZCCARNRLUZJDY-SECBINFHSA-N -1 3 356.342 2.662 20 10 FFCDHM COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737104910 598756278 /nfs/dbraw/zinc/75/62/78/598756278.db2.gz AZCCARNRLUZJDY-SECBINFHSA-N -1 3 356.342 2.662 20 10 FFCDHM COc1ccc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000821831871 599465702 /nfs/dbraw/zinc/46/57/02/599465702.db2.gz QKJKDSCGUIDGKU-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM COc1ccc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000821831871 599465704 /nfs/dbraw/zinc/46/57/04/599465704.db2.gz QKJKDSCGUIDGKU-UHFFFAOYSA-N -1 3 370.844 2.855 20 10 FFCDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=CC(=O)CS1 ZINC000735831692 599494052 /nfs/dbraw/zinc/49/40/52/599494052.db2.gz SWURYMUGTNYICW-UHFFFAOYSA-N -1 3 357.439 2.932 20 10 FFCDHM COc1ccccc1[C@H](CNCc1ccc(N(C)C)c(F)c1)NC(=O)[O-] ZINC000739965048 602875118 /nfs/dbraw/zinc/87/51/18/602875118.db2.gz VFHDGRDSPJIEMX-INIZCTEOSA-N -1 3 361.417 2.999 20 10 FFCDHM Cc1c(NCc2ccc(N3CCOCC3)cc2)cccc1-c1nnn[n-]1 ZINC000826242435 609485787 /nfs/dbraw/zinc/48/57/87/609485787.db2.gz OKJMDIWNVPJNQM-UHFFFAOYSA-N -1 3 350.426 2.624 20 10 FFCDHM Cc1c(NCc2ccc(N3CCOCC3)cc2)cccc1-c1nn[n-]n1 ZINC000826242435 609485789 /nfs/dbraw/zinc/48/57/89/609485789.db2.gz OKJMDIWNVPJNQM-UHFFFAOYSA-N -1 3 350.426 2.624 20 10 FFCDHM Cc1cccc([C@@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000157210073 728868257 /nfs/dbraw/zinc/86/82/57/728868257.db2.gz AVHUJUMEHCMSLG-ZDUSSCGKSA-N -1 3 362.451 2.606 20 10 FFCDHM COC(=O)CN(Cc1cnc2ccccn12)Cc1cc(Cl)ccc1[O-] ZINC000160305437 728920122 /nfs/dbraw/zinc/92/01/22/728920122.db2.gz JTFQLBKXICXHGY-UHFFFAOYSA-N -1 3 359.813 2.869 20 10 FFCDHM CC(C)C(=O)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000123579179 728660238 /nfs/dbraw/zinc/66/02/38/728660238.db2.gz VLGVFUYHLUQBEY-UHFFFAOYSA-N -1 3 355.276 2.845 20 10 FFCDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000779028340 738430948 /nfs/dbraw/zinc/43/09/48/738430948.db2.gz HFFXNQPYMBQTGY-BLLLJJGKSA-N -1 3 354.422 2.645 20 10 FFCDHM COC(=O)c1cc(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)no1 ZINC000877704433 732417047 /nfs/dbraw/zinc/41/70/47/732417047.db2.gz ORRCJGVLRZCSRO-UHFFFAOYSA-N -1 3 352.337 2.825 20 10 FFCDHM Cc1cc([O-])c(CN2CCc3c(cccc3S(N)(=O)=O)C2)c(Cl)c1 ZINC000877761891 732425087 /nfs/dbraw/zinc/42/50/87/732425087.db2.gz SJTHWRMNZRSFOT-UHFFFAOYSA-N -1 3 366.870 2.560 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)c2s[n-]c(=O)c2Cl)N(C)C)cc1 ZINC000891250298 734405114 /nfs/dbraw/zinc/40/51/14/734405114.db2.gz WKJKTSNZYFRRSH-GFCCVEGCSA-N -1 3 368.890 2.601 20 10 FFCDHM CC[C@H](CO)Nc1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000893514720 734712679 /nfs/dbraw/zinc/71/26/79/734712679.db2.gz DQGNGLGNJNPWBE-LLVKDONJSA-N -1 3 367.247 2.740 20 10 FFCDHM CCNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000903234626 736063271 /nfs/dbraw/zinc/06/32/71/736063271.db2.gz PBNFNMIKFCSYFB-NSHDSACASA-N -1 3 370.421 2.819 20 10 FFCDHM CC(C)CC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000761602877 736747822 /nfs/dbraw/zinc/74/78/22/736747822.db2.gz NSAIQFNICFNZEM-UHFFFAOYSA-N -1 3 354.472 2.662 20 10 FFCDHM CN(CC(=O)NCc1cccs1)Cc1cccc(Br)c1[O-] ZINC000769429173 737529149 /nfs/dbraw/zinc/52/91/49/737529149.db2.gz VMYXORIUEYRPLO-UHFFFAOYSA-N -1 3 369.284 2.964 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(O[C@H]3CCOC3)CC2)c1[O-] ZINC000769526333 737539232 /nfs/dbraw/zinc/53/92/32/737539232.db2.gz KHSVPQVVZUBODT-AWEZNQCLSA-N -1 3 356.806 2.724 20 10 FFCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000769746278 737560770 /nfs/dbraw/zinc/56/07/70/737560770.db2.gz INVCUBXKIAXMGM-HNNXBMFYSA-N -1 3 354.472 2.852 20 10 FFCDHM CC(C)C1CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000771089475 737695556 /nfs/dbraw/zinc/69/55/56/737695556.db2.gz DLULAGZZENYCFS-UHFFFAOYSA-N -1 3 368.499 2.956 20 10 FFCDHM COc1c([O-])c(CNc2cccc(OCC(F)F)n2)ccc1[N+](=O)[O-] ZINC000775040569 738056297 /nfs/dbraw/zinc/05/62/97/738056297.db2.gz RLWJRBDYWJDWIG-UHFFFAOYSA-N -1 3 355.297 2.960 20 10 FFCDHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775878337 738134991 /nfs/dbraw/zinc/13/49/91/738134991.db2.gz AQXDNHZROVYOTA-GJZGRUSLSA-N -1 3 369.845 2.791 20 10 FFCDHM [O-]c1cccc(Br)c1CNC1(c2ncccn2)CCOCC1 ZINC000923011205 738230197 /nfs/dbraw/zinc/23/01/97/738230197.db2.gz MLIQWMKILNDXNB-UHFFFAOYSA-N -1 3 364.243 2.740 20 10 FFCDHM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928710898 738898714 /nfs/dbraw/zinc/89/87/14/738898714.db2.gz XFWPDSFALHHDNQ-ZDUSSCGKSA-N -1 3 372.462 2.794 20 10 FFCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790899112 739510567 /nfs/dbraw/zinc/51/05/67/739510567.db2.gz IPYJYXJZNMYGFT-VXGBXAGGSA-N -1 3 350.415 2.616 20 10 FFCDHM O=C1OCCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000827741364 744969169 /nfs/dbraw/zinc/96/91/69/744969169.db2.gz QWEAGOYZURTYPG-UHFFFAOYSA-N -1 3 355.232 2.571 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCC[C@H](C)C1 ZINC000837155569 746380756 /nfs/dbraw/zinc/38/07/56/746380756.db2.gz LZZVOZQPETUSOB-AVGNSLFASA-N -1 3 354.472 2.708 20 10 FFCDHM CC(C)(C)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000837166022 746383600 /nfs/dbraw/zinc/38/36/00/746383600.db2.gz JFFPBDJQZHLRSM-GFCCVEGCSA-N -1 3 354.472 2.662 20 10 FFCDHM COC(=O)[C@H]1CSCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000839676453 746889854 /nfs/dbraw/zinc/88/98/54/746889854.db2.gz LBZFNIVRFOLCSA-GFCCVEGCSA-N -1 3 357.859 2.586 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000894970464 967131966 /nfs/dbraw/zinc/13/19/66/967131966.db2.gz YXDPBBJSETWTDD-AWEZNQCLSA-N -1 3 372.412 2.786 20 10 FFCDHM C[C@](CC(=O)[O-])(NCc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC001592327447 977740577 /nfs/dbraw/zinc/74/05/77/977740577.db2.gz BBVLLIKYQKVGNC-OAQYLSRUSA-N -1 3 369.465 2.522 20 10 FFCDHM CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001596746404 985064638 /nfs/dbraw/zinc/06/46/38/985064638.db2.gz CQGUPJRCSLENMK-SNVBAGLBSA-N -1 3 364.423 2.617 20 10 FFCDHM CN(C)C(=O)C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000914364926 987457067 /nfs/dbraw/zinc/45/70/67/987457067.db2.gz HXGILPOITPKKNA-INIZCTEOSA-N -1 3 359.401 2.550 20 10 FFCDHM COc1ccc(N2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC000923189324 990948193 /nfs/dbraw/zinc/94/81/93/990948193.db2.gz WUDZRLFJDSLVFI-CYBMUJFWSA-N -1 3 359.401 2.618 20 10 FFCDHM COc1c([O-])c(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000809786362 994612893 /nfs/dbraw/zinc/61/28/93/994612893.db2.gz ZGJRKLOGMZEVAD-GFCCVEGCSA-N -1 3 371.393 2.928 20 10 FFCDHM CCOC(=O)[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000741242708 999715431 /nfs/dbraw/zinc/71/54/31/999715431.db2.gz RIIBKCVEFRXPNK-SFHVURJKSA-N -1 3 359.422 2.781 20 10 FFCDHM CCc1ccc(CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C2CC2)cc1 ZINC000846238568 1000241010 /nfs/dbraw/zinc/24/10/10/1000241010.db2.gz LRASDXLBMKXVPY-UHFFFAOYSA-N -1 3 366.421 2.860 20 10 FFCDHM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770476237 1000806217 /nfs/dbraw/zinc/80/62/17/1000806217.db2.gz IQFKKJCYSHQELU-UHFFFAOYSA-N -1 3 372.421 2.815 20 10 FFCDHM Cc1nc(COc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)no1 ZINC000770488714 1000814350 /nfs/dbraw/zinc/81/43/50/1000814350.db2.gz PZBHTIJDUOKOBJ-UHFFFAOYSA-N -1 3 355.350 2.929 20 10 FFCDHM COC(=O)c1c(NC(=O)c2cccc(O)c2[O-])ccc2c1OC[C@@H]1C[C@H]21 ZINC001148218535 1001070311 /nfs/dbraw/zinc/07/03/11/1001070311.db2.gz DOCVMCUXOJOMAG-CABZTGNLSA-N -1 3 355.346 2.633 20 10 FFCDHM O=C(Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F)c1cccc(O)c1[O-] ZINC001148218832 1001071053 /nfs/dbraw/zinc/07/10/53/1001071053.db2.gz MVIRZDHKIFOZOC-UHFFFAOYSA-N -1 3 366.295 2.802 20 10 FFCDHM CCOC(=O)c1ccc(OCC)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586868 1001175424 /nfs/dbraw/zinc/17/54/24/1001175424.db2.gz XTWVLUZQELCTSK-UHFFFAOYSA-N -1 3 361.350 2.631 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790792684 1002491903 /nfs/dbraw/zinc/49/19/03/1002491903.db2.gz GBTOQNFUDUIELZ-TZMCWYRMSA-N -1 3 364.442 2.911 20 10 FFCDHM COC(=O)c1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)cc1 ZINC000790940447 1002534290 /nfs/dbraw/zinc/53/42/90/1002534290.db2.gz KUCGLEIDRWWLRH-CQSZACIVSA-N -1 3 369.295 2.918 20 10 FFCDHM CCOC(=O)c1cnc(C(=O)NCc2c([O-])cccc2F)c(Cl)c1 ZINC001184348503 1002576728 /nfs/dbraw/zinc/57/67/28/1002576728.db2.gz OTNFCOZIGJARNX-UHFFFAOYSA-N -1 3 352.749 2.686 20 10 FFCDHM COc1c([O-])c(CNc2cccc(Cn3cncn3)c2)ccc1[N+](=O)[O-] ZINC000774927472 1003066436 /nfs/dbraw/zinc/06/64/36/1003066436.db2.gz NPTBSZCKHSTHCG-UHFFFAOYSA-N -1 3 355.354 2.561 20 10 FFCDHM O=C(Nc1ccn(CC(F)(F)F)c(=O)c1)c1ccc([O-])c(O)c1Cl ZINC001193247081 1004418486 /nfs/dbraw/zinc/41/84/86/1004418486.db2.gz KDHOTFJPEYTMGO-UHFFFAOYSA-N -1 3 362.691 2.728 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000776650333 1006349456 /nfs/dbraw/zinc/34/94/56/1006349456.db2.gz WEHIWBWHIJMUQS-CYBMUJFWSA-N -1 3 364.442 2.865 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C(=O)NC3CC3)C2)c1[O-] ZINC001116211531 1032194262 /nfs/dbraw/zinc/19/42/62/1032194262.db2.gz HRSKZTWGEVIUJO-GFCCVEGCSA-N -1 3 350.846 2.739 20 10 FFCDHM CC(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1[O-] ZINC000816890241 1007244147 /nfs/dbraw/zinc/24/41/47/1007244147.db2.gz CCZAYZMGMGZREF-UHFFFAOYSA-N -1 3 372.396 2.501 20 10 FFCDHM CC1(C)C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000134990995 1007471736 /nfs/dbraw/zinc/47/17/36/1007471736.db2.gz PQRMGWVHSZOPJJ-INIZCTEOSA-N -1 3 374.462 2.916 20 10 FFCDHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(N(C)C)cc2C)c([O-])c1 ZINC000115725951 1008258599 /nfs/dbraw/zinc/25/85/99/1008258599.db2.gz KHQFOQKXQBUKJJ-UHFFFAOYSA-N -1 3 369.465 2.511 20 10 FFCDHM CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000859521557 1008541845 /nfs/dbraw/zinc/54/18/45/1008541845.db2.gz GSIRIIVJYNKZDN-KRWDZBQOSA-N -1 3 361.369 2.989 20 10 FFCDHM COc1cc([C@@H](C)NCc2cc(F)cc(F)c2[O-])ccc1S(C)(=O)=O ZINC001179811107 1009460055 /nfs/dbraw/zinc/46/00/55/1009460055.db2.gz UQCPTGXICOTXPA-SNVBAGLBSA-N -1 3 371.405 2.933 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(O)c2[O-])C1 ZINC001180721613 1009824280 /nfs/dbraw/zinc/82/42/80/1009824280.db2.gz VFKYWPRGVVYHCS-BUXKBTBVSA-N -1 3 362.426 2.617 20 10 FFCDHM Cc1cc(C)c(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cn1 ZINC001217057014 1032599279 /nfs/dbraw/zinc/59/92/79/1032599279.db2.gz ZMYYOOCEVIVNJT-UHFFFAOYSA-N -1 3 366.421 2.953 20 10 FFCDHM O=C(NC1CCN(C(=O)c2cccc(O)c2[O-])CC1)OCc1ccccc1 ZINC000827513958 1018365080 /nfs/dbraw/zinc/36/50/80/1018365080.db2.gz ABDADIOSHBVSQX-UHFFFAOYSA-N -1 3 370.405 2.629 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1c([O-])cccc1F ZINC000928709920 1019085219 /nfs/dbraw/zinc/08/52/19/1019085219.db2.gz NXGMCLQCXJGNMC-NORZTCDRSA-N -1 3 364.417 2.651 20 10 FFCDHM CCN1CCN(c2cccc(NC(=O)c3c(F)ccc(O)c3[O-])c2)CC1 ZINC000828756535 1032825449 /nfs/dbraw/zinc/82/54/49/1032825449.db2.gz ZBRAHECZPSEGSR-UHFFFAOYSA-N -1 3 359.401 2.631 20 10 FFCDHM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000779020331 1022658485 /nfs/dbraw/zinc/65/84/85/1022658485.db2.gz QSOGUGWSSXKAHR-INIZCTEOSA-N -1 3 372.440 2.951 20 10 FFCDHM O=C1NCC[C@]12CCCN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141369367 1026049606 /nfs/dbraw/zinc/04/96/06/1026049606.db2.gz QLAHKHBKRBNBHU-HNNXBMFYSA-N -1 3 373.678 2.910 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cn2ccnc2cn1 ZINC001156209310 1029092214 /nfs/dbraw/zinc/09/22/14/1029092214.db2.gz LNNCPRDBXNOWHE-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM O=C1COc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nc2N1 ZINC001157726701 1029652386 /nfs/dbraw/zinc/65/23/86/1029652386.db2.gz VDRSXZVZATUZCY-UHFFFAOYSA-N -1 3 356.769 2.932 20 10 FFCDHM COc1c([O-])c(CNc2cccc([C@H]3CCC(=O)N3)c2)ccc1[N+](=O)[O-] ZINC000840971778 1029953098 /nfs/dbraw/zinc/95/30/98/1029953098.db2.gz BXZVTQXZIRVKBT-CQSZACIVSA-N -1 3 357.366 2.872 20 10 FFCDHM CC(C)(C)OC(=O)N1CC2(C1)COCCN2Cc1cc(Cl)ccc1[O-] ZINC001203651539 1030803303 /nfs/dbraw/zinc/80/33/03/1030803303.db2.gz QWSOYOMYLHGQQN-UHFFFAOYSA-N -1 3 368.861 2.867 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001203651103 1030804302 /nfs/dbraw/zinc/80/43/02/1030804302.db2.gz IZRNWPMQMXEMCY-GASCZTMLSA-N -1 3 368.861 2.866 20 10 FFCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC000830572232 1033688299 /nfs/dbraw/zinc/68/82/99/1033688299.db2.gz XVOCOTVSEFTDTE-KGLIPLIRSA-N -1 3 362.426 2.712 20 10 FFCDHM COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(N)cn1 ZINC001220212400 1034050056 /nfs/dbraw/zinc/05/00/56/1034050056.db2.gz IEAIAPAGFFSFLN-UHFFFAOYSA-N -1 3 358.785 2.510 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)Nc1ccccc1S(=O)(=O)C1CC1 ZINC001220225374 1034058537 /nfs/dbraw/zinc/05/85/37/1034058537.db2.gz ITDZGTXSQDXMGG-UHFFFAOYSA-N -1 3 364.398 2.789 20 10 FFCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001139124708 1034954476 /nfs/dbraw/zinc/95/44/76/1034954476.db2.gz DGFFGQOHVDHIOP-ZDUSSCGKSA-N -1 3 374.437 2.906 20 10 FFCDHM CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC001140142530 1035358294 /nfs/dbraw/zinc/35/82/94/1035358294.db2.gz VEFMGIXVMIMKOL-ZDUSSCGKSA-N -1 3 350.415 2.571 20 10 FFCDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001140464878 1035485134 /nfs/dbraw/zinc/48/51/34/1035485134.db2.gz DQACSTXPAPQORE-UHFFFAOYSA-N -1 3 373.888 2.758 20 10 FFCDHM [O-]c1cc(O)c(CN2CCN(c3ccc(Cl)nn3)CC2)cc1Cl ZINC001232262967 1035534483 /nfs/dbraw/zinc/53/44/83/1035534483.db2.gz YDPKBUPDKLOVCW-UHFFFAOYSA-N -1 3 355.225 2.517 20 10 FFCDHM CC(C)=CCN1C(=O)COCC12CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001277214346 1035582130 /nfs/dbraw/zinc/58/21/30/1035582130.db2.gz RWTJYKOGAYXYTL-UHFFFAOYSA-N -1 3 364.873 2.733 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(Cl)c(C)cc2[O-])C1=O ZINC001277215464 1035589077 /nfs/dbraw/zinc/58/90/77/1035589077.db2.gz WOCJBUDZQSDIPT-DJJJIMSYSA-N -1 3 364.873 2.898 20 10 FFCDHM CN1CC[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228186014 1035980926 /nfs/dbraw/zinc/98/09/26/1035980926.db2.gz NAJDDRYHIOSWSQ-DYVFJYSZSA-N -1 3 371.389 2.593 20 10 FFCDHM C[C@H](CN(C)C)Oc1c(=O)c2ccc([O-])cc2oc1-c1ccc(O)c(O)c1 ZINC001228369480 1036075489 /nfs/dbraw/zinc/07/54/89/1036075489.db2.gz QRRCLOJUCJWZCT-LLVKDONJSA-N -1 3 371.389 2.906 20 10 FFCDHM COc1cc([O-])c(CN2C[C@H](CO)CC(F)(F)C2)cc1Br ZINC001233135409 1036385791 /nfs/dbraw/zinc/38/57/91/1036385791.db2.gz SFNQVVMYOPIBTK-SECBINFHSA-N -1 3 366.202 2.613 20 10 FFCDHM Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2c([O-])ccc(F)c2F)n1 ZINC001233333409 1036538500 /nfs/dbraw/zinc/53/85/00/1036538500.db2.gz URWRUSPLPQCVPT-DLBZAZTESA-N -1 3 373.403 2.749 20 10 FFCDHM O=C1NC2(C[C@@H]1c1cccnc1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333773 1036541836 /nfs/dbraw/zinc/54/18/36/1036541836.db2.gz HIXSGMMXYOWGDQ-CQSZACIVSA-N -1 3 373.403 2.704 20 10 FFCDHM CO[C@@H](C)CO[C@H](C)COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192450 1036543565 /nfs/dbraw/zinc/54/35/65/1036543565.db2.gz NCYBFSPCCJKVQB-QWHCGFSZSA-N -1 3 370.401 2.986 20 10 FFCDHM CC(C)N1CC[C@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229196992 1036547560 /nfs/dbraw/zinc/54/75/60/1036547560.db2.gz LBRVJYRHSMETAF-LBPRGKRZSA-N -1 3 367.401 2.735 20 10 FFCDHM C[C@H]1COCC[C@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234753443 1037168643 /nfs/dbraw/zinc/16/86/43/1037168643.db2.gz OIZZJDNEOYHZOE-LKFCYVNXSA-N -1 3 358.346 2.867 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC12CC2 ZINC001231446331 1037586331 /nfs/dbraw/zinc/58/63/31/1037586331.db2.gz GYGXJCOMKPTBRJ-OAHLLOKOSA-N -1 3 362.426 2.580 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC12CC2 ZINC001231446331 1037586349 /nfs/dbraw/zinc/58/63/49/1037586349.db2.gz GYGXJCOMKPTBRJ-OAHLLOKOSA-N -1 3 362.426 2.580 20 10 FFCDHM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)c(C)c1 ZINC001231453177 1037594724 /nfs/dbraw/zinc/59/47/24/1037594724.db2.gz CQMNYNPJXSOLEY-UHFFFAOYSA-N -1 3 356.422 2.730 20 10 FFCDHM CCOC[C@H]1COCCC12CC[NH+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231562891 1037687027 /nfs/dbraw/zinc/68/70/27/1037687027.db2.gz AMUKPQKIPGJJGL-KRWDZBQOSA-N -1 3 363.454 2.746 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1Cl ZINC001231870664 1037968255 /nfs/dbraw/zinc/96/82/55/1037968255.db2.gz MWGJVZSMXVTRGY-CQSZACIVSA-N -1 3 370.877 2.768 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001236669182 1038182742 /nfs/dbraw/zinc/18/27/42/1038182742.db2.gz HMHJBGNVXAUART-CQSZACIVSA-N -1 3 367.287 2.954 20 10 FFCDHM COc1ccc(CN2CCC(N3CCCOC3=O)CC2)c([O-])c1Cl ZINC001236808732 1038281671 /nfs/dbraw/zinc/28/16/71/1038281671.db2.gz IMWGWOMFWUJQOH-UHFFFAOYSA-N -1 3 354.834 2.861 20 10 FFCDHM COc1ccc(N2CCN(Cc3c([O-])cc(OC)cc3Cl)CC2)nc1 ZINC001236806168 1038282191 /nfs/dbraw/zinc/28/21/91/1038282191.db2.gz OWWPCHWKXZVCEF-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM CCCCN1C[C@@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278023223 1038333262 /nfs/dbraw/zinc/33/32/62/1038333262.db2.gz OXFAZHLZWOMGBB-SFHVURJKSA-N -1 3 370.852 2.788 20 10 FFCDHM COc1cc([O-])c(CN2CC[C@](O)(C(F)(F)F)C2)c(Br)c1 ZINC001237066279 1038431765 /nfs/dbraw/zinc/43/17/65/1038431765.db2.gz UHWBPUZGCJFZHI-GFCCVEGCSA-N -1 3 370.165 2.662 20 10 FFCDHM CCN(CC)CCN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387995 1039105378 /nfs/dbraw/zinc/10/53/78/1039105378.db2.gz VOINTHBSMYTPFX-UHFFFAOYSA-N -1 3 355.287 2.661 20 10 FFCDHM O=C(Nc1cccnc1)N1CCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001278490751 1039867048 /nfs/dbraw/zinc/86/70/48/1039867048.db2.gz LISLAKGLOOSEQT-UHFFFAOYSA-N -1 3 358.829 2.933 20 10 FFCDHM CC(C)(C)c1cc([O-])c(CN2CC(=O)N(C3CC3)C(=O)C2)cc1Cl ZINC001248880020 1040490766 /nfs/dbraw/zinc/49/07/66/1040490766.db2.gz FEGRVYANSKLUGK-UHFFFAOYSA-N -1 3 350.846 2.676 20 10 FFCDHM COC(=O)CN1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1 ZINC001248883790 1040494447 /nfs/dbraw/zinc/49/44/47/1040494447.db2.gz QLAJTYAUGAVZPB-UHFFFAOYSA-N -1 3 354.878 2.634 20 10 FFCDHM CCOC(=O)N1CCN(Cc2cc(C)c(Br)cc2[O-])CC1 ZINC001250128205 1041123982 /nfs/dbraw/zinc/12/39/82/1041123982.db2.gz AOWDPCCTCHZPKQ-UHFFFAOYSA-N -1 3 357.248 2.737 20 10 FFCDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Br)c(C)cc1[O-] ZINC001237685416 1043310887 /nfs/dbraw/zinc/31/08/87/1043310887.db2.gz PYEGRQLECPDPLQ-IFUGULHKSA-N -1 3 354.244 2.989 20 10 FFCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)C1CCOCC1 ZINC001237937588 1043443058 /nfs/dbraw/zinc/44/30/58/1043443058.db2.gz REOJKJLUXLNDKR-UHFFFAOYSA-N -1 3 370.852 2.692 20 10 FFCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccncc1 ZINC001237939397 1043445813 /nfs/dbraw/zinc/44/58/13/1043445813.db2.gz BRHUCZKECWIICJ-UHFFFAOYSA-N -1 3 363.820 2.974 20 10 FFCDHM CC(C)(C)NC(=O)c1cnc2n1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001279981771 1044030305 /nfs/dbraw/zinc/03/03/05/1044030305.db2.gz GLRYVVFJVGTXJD-UHFFFAOYSA-N -1 3 362.861 2.786 20 10 FFCDHM C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCN3Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC001279983163 1044034646 /nfs/dbraw/zinc/03/46/46/1044034646.db2.gz FJSGDTQJVVMXEX-XXZHDZSNSA-N -1 3 364.873 2.646 20 10 FFCDHM O=C(NC1CCC(F)CC1)[C@@H]1CC12CN(Cc1c([O-])cccc1F)C2 ZINC001280009083 1044081813 /nfs/dbraw/zinc/08/18/13/1044081813.db2.gz PMULFDHARWAOEP-PIMMBPRGSA-N -1 3 350.409 2.750 20 10 FFCDHM CCOC(=O)c1cnccc1NCc1cccc(Br)c1[O-] ZINC001321118120 1045552944 /nfs/dbraw/zinc/55/29/44/1045552944.db2.gz PNFZRUNHPDNFLV-UHFFFAOYSA-N -1 3 351.200 2.760 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001341902738 1050503332 /nfs/dbraw/zinc/50/33/32/1050503332.db2.gz SAHSJUJOJSBLNH-RYUDHWBXSA-N -1 3 371.466 2.660 20 10 FFCDHM CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c([O-])c1 ZINC001302001418 1051027579 /nfs/dbraw/zinc/02/75/79/1051027579.db2.gz YOFUGHXRTIHRKP-UHFFFAOYSA-N -1 3 370.449 2.934 20 10 FFCDHM C[C@H]1CC[C@@](C)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC001300519206 1058615101 /nfs/dbraw/zinc/61/51/01/1058615101.db2.gz HPRDMAJGRZCABV-SGTLLEGYSA-N -1 3 368.499 2.956 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417203 1061314585 /nfs/dbraw/zinc/31/45/85/1061314585.db2.gz KMZFRKTVFZNPHX-AWEZNQCLSA-N -1 3 367.218 2.918 20 10 FFCDHM COC(=O)c1c(F)ccc(NC(=O)NCc2c([O-])cccc2F)c1F ZINC001476697171 1061460292 /nfs/dbraw/zinc/46/02/92/1061460292.db2.gz SFLVNFSTAMCYJT-UHFFFAOYSA-N -1 3 354.284 2.918 20 10 FFCDHM Cn1cc(-c2cc3c(nn2)CCN(Cc2ccc(Cl)cc2[O-])C3)cn1 ZINC001462475212 1061639100 /nfs/dbraw/zinc/63/91/00/1061639100.db2.gz FBVOGYVZIICAEX-UHFFFAOYSA-N -1 3 355.829 2.794 20 10 FFCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc([S@@](C)=O)cc1 ZINC001478374582 1061991834 /nfs/dbraw/zinc/99/18/34/1061991834.db2.gz MRXRUSKVSNTHRG-APXPCNQMSA-N -1 3 350.415 2.829 20 10 FFCDHM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC001464730324 1062787250 /nfs/dbraw/zinc/78/72/50/1062787250.db2.gz QONOYPKDRNOJTN-CQSZACIVSA-N -1 3 358.419 2.560 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)c1 ZINC001580046227 1078738284 /nfs/dbraw/zinc/73/82/84/1078738284.db2.gz HQBWQUCCQVDKRN-NSHDSACASA-N -1 3 368.397 2.772 20 10 FFCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)c1 ZINC001580046227 1078738285 /nfs/dbraw/zinc/73/82/85/1078738285.db2.gz HQBWQUCCQVDKRN-NSHDSACASA-N -1 3 368.397 2.772 20 10 FFCDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCSc1nccs1 ZINC001582804109 1079109847 /nfs/dbraw/zinc/10/98/47/1079109847.db2.gz JGKQWJRTROESON-UHFFFAOYSA-N -1 3 363.428 2.826 20 10 FFCDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCSc1nccs1 ZINC001582804109 1079109849 /nfs/dbraw/zinc/10/98/49/1079109849.db2.gz JGKQWJRTROESON-UHFFFAOYSA-N -1 3 363.428 2.826 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267669 1080454369 /nfs/dbraw/zinc/45/43/69/1080454369.db2.gz HFTHJXUVJDDMGM-JSTZJWCRSA-N -1 3 367.829 2.843 20 10 FFCDHM C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1 ZINC001589999584 1080929426 /nfs/dbraw/zinc/92/94/26/1080929426.db2.gz XRWRRENEMQIAJM-OFQRWUPVSA-N -1 3 367.453 2.778 20 10 FFCDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042332 1080967483 /nfs/dbraw/zinc/96/74/83/1080967483.db2.gz GKAIQATUFYYYBJ-ZVTBTPLYSA-N -1 3 365.393 2.511 20 10 FFCDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042332 1080967487 /nfs/dbraw/zinc/96/74/87/1080967487.db2.gz GKAIQATUFYYYBJ-ZVTBTPLYSA-N -1 3 365.393 2.511 20 10 FFCDHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(O)c1[O-])CC3 ZINC000375346074 512278118 /nfs/dbraw/zinc/27/81/18/512278118.db2.gz VBQCALCPXMQSIP-UHFFFAOYSA-N -1 3 366.373 2.564 20 10 FFCDHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091981996 508029395 /nfs/dbraw/zinc/02/93/95/508029395.db2.gz KFOHIFJWBFSJJD-SWLSCSKDSA-N -1 3 354.472 2.805 20 10 FFCDHM Cc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccccc2[O-])c(C)c1 ZINC000111235532 508080634 /nfs/dbraw/zinc/08/06/34/508080634.db2.gz NNHRMAIOVSFHEM-UHFFFAOYSA-N -1 3 369.465 2.504 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccn(C)c(=O)c1 ZINC000075416539 508106478 /nfs/dbraw/zinc/10/64/78/508106478.db2.gz YMORJFAPKRNMNY-UHFFFAOYSA-N -1 3 365.227 2.516 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000094034772 508163935 /nfs/dbraw/zinc/16/39/35/508163935.db2.gz JHCVIUJZNGWATO-HNNXBMFYSA-N -1 3 352.456 2.559 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCn1cccn1 ZINC000120991054 509104321 /nfs/dbraw/zinc/10/43/21/509104321.db2.gz VMRZVEZAWSSLBF-UHFFFAOYSA-N -1 3 352.232 2.790 20 10 FFCDHM CCCOc1ccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c([O-])c1 ZINC000121317377 509165901 /nfs/dbraw/zinc/16/59/01/509165901.db2.gz SGNUOOWWVDFDMH-AWEZNQCLSA-N -1 3 360.458 2.751 20 10 FFCDHM C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000186403442 509691398 /nfs/dbraw/zinc/69/13/98/509691398.db2.gz VNBHQRSIMRYVER-CQSZACIVSA-N -1 3 373.428 2.975 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000193159314 509800898 /nfs/dbraw/zinc/80/08/98/509800898.db2.gz WRSHWEGFGXPBNM-SNVBAGLBSA-N -1 3 355.316 2.790 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)C3CC3)CC2)c1[O-] ZINC000177026639 509826291 /nfs/dbraw/zinc/82/62/91/509826291.db2.gz FJEKDMKMDRXSOC-UHFFFAOYSA-N -1 3 350.846 2.739 20 10 FFCDHM CCCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000177279352 509976251 /nfs/dbraw/zinc/97/62/51/509976251.db2.gz FKNRCOBTZCOKAH-HNNXBMFYSA-N -1 3 357.447 2.523 20 10 FFCDHM COc1cc(Br)cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000180560357 509983582 /nfs/dbraw/zinc/98/35/82/509983582.db2.gz DGUSYHMOSKYJFK-ZFWWWQNUSA-N -1 3 372.259 2.543 20 10 FFCDHM CCN(CCS(=O)(=O)C(C)C)Cc1cc(Br)ccc1[O-] ZINC000178235469 510503543 /nfs/dbraw/zinc/50/35/43/510503543.db2.gz LLODGISMIUPPJE-UHFFFAOYSA-N -1 3 364.305 2.800 20 10 FFCDHM CCS(=O)(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000195164104 510696545 /nfs/dbraw/zinc/69/65/45/510696545.db2.gz GZRLSOJZKFXVQE-UHFFFAOYSA-N -1 3 362.289 2.554 20 10 FFCDHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc3c(cc2[O-])OCO3)n1 ZINC000266631466 510698934 /nfs/dbraw/zinc/69/89/34/510698934.db2.gz PPMJWEGLXBFZPQ-GFCCVEGCSA-N -1 3 363.414 2.870 20 10 FFCDHM COCCC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277313375 510961072 /nfs/dbraw/zinc/96/10/72/510961072.db2.gz SYOQIZAEVWWOMC-UHFFFAOYSA-N -1 3 354.834 2.873 20 10 FFCDHM Cc1noc(C)c1CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277991064 510977441 /nfs/dbraw/zinc/97/74/41/510977441.db2.gz SYJRZGKIJDJDJB-UHFFFAOYSA-N -1 3 363.801 2.657 20 10 FFCDHM COc1cc2c(cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-])NC(=O)CC2 ZINC000278487351 510994429 /nfs/dbraw/zinc/99/44/29/510994429.db2.gz KRFXEVNFBLLKEG-UHFFFAOYSA-N -1 3 373.365 2.814 20 10 FFCDHM C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)cc1[O-] ZINC000278506288 510995379 /nfs/dbraw/zinc/99/53/79/510995379.db2.gz RANIANCRJNZCKK-LBPRGKRZSA-N -1 3 356.405 2.877 20 10 FFCDHM C[C@H](C1CCCCC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000282565674 511028714 /nfs/dbraw/zinc/02/87/14/511028714.db2.gz UQTLDONEXTVOEO-GFCCVEGCSA-N -1 3 354.472 2.805 20 10 FFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000289875082 511119230 /nfs/dbraw/zinc/11/92/30/511119230.db2.gz ROUZNPSUCMEFNK-ZWNOBZJWSA-N -1 3 362.289 2.552 20 10 FFCDHM O=S(=O)(CCNCc1c([O-])cccc1Cl)CCc1ccccc1 ZINC000282839652 511129871 /nfs/dbraw/zinc/12/98/71/511129871.db2.gz ZWMNUQDARKDVII-UHFFFAOYSA-N -1 3 353.871 2.793 20 10 FFCDHM COc1c([O-])c(CN2CC[C@@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000290987873 511155541 /nfs/dbraw/zinc/15/55/41/511155541.db2.gz UUTDISXGMVQYAZ-GFCCVEGCSA-N -1 3 352.778 2.606 20 10 FFCDHM COc1c([O-])c(CNCc2cc(C)nc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000291588809 511257483 /nfs/dbraw/zinc/25/74/83/511257483.db2.gz PPLYBVAYQQJICL-UHFFFAOYSA-N -1 3 372.425 2.902 20 10 FFCDHM COc1c([O-])c(CN[C@@H](c2cnn(C)c2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365122414 511269989 /nfs/dbraw/zinc/26/99/89/511269989.db2.gz RHJJLUOXNNVCGN-QGZVFWFLSA-N -1 3 368.393 2.922 20 10 FFCDHM COc1c([O-])c(CNc2cnn(C3CCOCC3)c2C)ccc1[N+](=O)[O-] ZINC000295194782 511316921 /nfs/dbraw/zinc/31/69/21/511316921.db2.gz XTJYOEQUNVRWIJ-UHFFFAOYSA-N -1 3 362.386 2.778 20 10 FFCDHM C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464214 511527668 /nfs/dbraw/zinc/52/76/68/511527668.db2.gz DHXBOKXDYFITHT-LBPRGKRZSA-N -1 3 364.423 2.696 20 10 FFCDHM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570668 511537676 /nfs/dbraw/zinc/53/76/76/511537676.db2.gz KQJSBWCDWBCGAU-DYVFJYSZSA-N -1 3 357.410 2.651 20 10 FFCDHM Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1[O-] ZINC000285128562 512009879 /nfs/dbraw/zinc/00/98/79/512009879.db2.gz OCBAPBZFYFYNRC-MRXNPFEDSA-N -1 3 372.469 2.920 20 10 FFCDHM COc1cc(Cl)cc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1[O-] ZINC000367830414 512680143 /nfs/dbraw/zinc/68/01/43/512680143.db2.gz BWHLYIFQAHPEBH-AWEZNQCLSA-N -1 3 361.891 2.843 20 10 FFCDHM Clc1cc(-c2nnn[n-]2)cnc1NCCCSc1nccs1 ZINC000737558208 598943137 /nfs/dbraw/zinc/94/31/37/598943137.db2.gz LYJNZTNRKVZQNW-UHFFFAOYSA-N -1 3 353.864 2.966 20 10 FFCDHM Clc1cc(-c2nn[n-]n2)cnc1NCCCSc1nccs1 ZINC000737558208 598943139 /nfs/dbraw/zinc/94/31/39/598943139.db2.gz LYJNZTNRKVZQNW-UHFFFAOYSA-N -1 3 353.864 2.966 20 10 FFCDHM Fc1cc(F)c(NNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000737644651 598977938 /nfs/dbraw/zinc/97/79/38/598977938.db2.gz JIVYKKVYKJWBGD-UHFFFAOYSA-N -1 3 365.344 2.598 20 10 FFCDHM Fc1cc(F)c(NNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000737644651 598977940 /nfs/dbraw/zinc/97/79/40/598977940.db2.gz JIVYKKVYKJWBGD-UHFFFAOYSA-N -1 3 365.344 2.598 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737269323 599017691 /nfs/dbraw/zinc/01/76/91/599017691.db2.gz CUNQHZRXGQPUDY-LUAWRHEFSA-N -1 3 362.437 2.571 20 10 FFCDHM Cc1cc(N(C)C)ccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737269323 599017693 /nfs/dbraw/zinc/01/76/93/599017693.db2.gz CUNQHZRXGQPUDY-LUAWRHEFSA-N -1 3 362.437 2.571 20 10 FFCDHM Cc1cc(C(=O)Nc2nccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238629 598611132 /nfs/dbraw/zinc/61/11/32/598611132.db2.gz QNFZGASPXKJLJE-UHFFFAOYSA-N -1 3 365.422 2.983 20 10 FFCDHM O=C([O-])N1CCc2cccc(CNCc3ccc(N4CCOCC4)cc3)c21 ZINC000832086938 603855773 /nfs/dbraw/zinc/85/57/73/603855773.db2.gz KRSMGKCAUMOPLX-UHFFFAOYSA-N -1 3 367.449 2.854 20 10 FFCDHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833193910 604467656 /nfs/dbraw/zinc/46/76/56/604467656.db2.gz PGSYANBUPFJLKS-FQEVSTJZSA-N -1 3 370.424 2.674 20 10 FFCDHM CCN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367006 607796144 /nfs/dbraw/zinc/79/61/44/607796144.db2.gz HWUYCBFLEOFROU-XFXZXTDPSA-N -1 3 371.404 2.876 20 10 FFCDHM CCN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367006 607796145 /nfs/dbraw/zinc/79/61/45/607796145.db2.gz HWUYCBFLEOFROU-XFXZXTDPSA-N -1 3 371.404 2.876 20 10 FFCDHM C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825958243 608524675 /nfs/dbraw/zinc/52/46/75/608524675.db2.gz OSOLUWCCAQOOSD-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825958243 608524676 /nfs/dbraw/zinc/52/46/76/608524676.db2.gz OSOLUWCCAQOOSD-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825958243 608524677 /nfs/dbraw/zinc/52/46/77/608524677.db2.gz OSOLUWCCAQOOSD-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825958243 608524678 /nfs/dbraw/zinc/52/46/78/608524678.db2.gz OSOLUWCCAQOOSD-UHFFFAOYSA-N -1 3 374.788 2.766 20 10 FFCDHM O=C1[C@H](Sc2nccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477584 609419607 /nfs/dbraw/zinc/41/96/07/609419607.db2.gz GZXYBOQZOGIBHT-GFCCVEGCSA-N -1 3 358.452 2.611 20 10 FFCDHM O=C1[C@H](Sc2nccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477584 609419608 /nfs/dbraw/zinc/41/96/08/609419608.db2.gz GZXYBOQZOGIBHT-GFCCVEGCSA-N -1 3 358.452 2.611 20 10 FFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@H]2CN2CCOCC2)c1[O-] ZINC000093011395 728473016 /nfs/dbraw/zinc/47/30/16/728473016.db2.gz VBQBJPYXRFIPPR-HNNXBMFYSA-N -1 3 369.849 2.641 20 10 FFCDHM CCCCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])no1 ZINC000109779920 728529000 /nfs/dbraw/zinc/52/90/00/728529000.db2.gz KLKLCQQLFREKOW-UHFFFAOYSA-N -1 3 367.833 2.946 20 10 FFCDHM CCCCc1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000109779668 728529024 /nfs/dbraw/zinc/52/90/24/728529024.db2.gz KXKMHCIFGLEMCP-UHFFFAOYSA-N -1 3 367.833 2.946 20 10 FFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1Cl ZINC000135278912 728737117 /nfs/dbraw/zinc/73/71/17/728737117.db2.gz UQLKQXPGPGPGIM-JTQLQIEISA-N -1 3 368.842 2.908 20 10 FFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174682932 729076591 /nfs/dbraw/zinc/07/65/91/729076591.db2.gz DVPUAJHCJVZLMI-UHFFFAOYSA-N -1 3 372.443 2.697 20 10 FFCDHM CCCN(Cc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179642181 729191087 /nfs/dbraw/zinc/19/10/87/729191087.db2.gz OBXQQAWCYCIVLZ-GFCCVEGCSA-N -1 3 362.289 2.554 20 10 FFCDHM O=C(c1c(F)cccc1F)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180001906 729200783 /nfs/dbraw/zinc/20/07/83/729200783.db2.gz FVJBIQALJXXRLY-UHFFFAOYSA-N -1 3 350.340 2.768 20 10 FFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862219296 730677516 /nfs/dbraw/zinc/67/75/16/730677516.db2.gz KFECAEYSNZBCEO-LLVKDONJSA-N -1 3 357.248 2.865 20 10 FFCDHM CCOC(=O)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862237274 730679691 /nfs/dbraw/zinc/67/96/91/730679691.db2.gz LAOYDNCHEPXECT-UHFFFAOYSA-N -1 3 357.248 2.819 20 10 FFCDHM [O-]c1cccc(Br)c1CN(CCO)CCOCC(F)(F)F ZINC000862242969 730680736 /nfs/dbraw/zinc/68/07/36/730680736.db2.gz VMTDAKFBZXRKTG-UHFFFAOYSA-N -1 3 372.181 2.528 20 10 FFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000862252757 730682378 /nfs/dbraw/zinc/68/23/78/730682378.db2.gz GRGMOOAUUVZMPT-WPGHFRTFSA-N -1 3 356.260 2.923 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000894093986 734800715 /nfs/dbraw/zinc/80/07/15/734800715.db2.gz JBPVHJPLMKFGRT-LLVKDONJSA-N -1 3 369.238 2.798 20 10 FFCDHM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(Br)cc1[O-] ZINC000895863228 735066282 /nfs/dbraw/zinc/06/62/82/735066282.db2.gz JPXRVLLMGUXTGV-KBPBESRZSA-N -1 3 372.259 2.745 20 10 FFCDHM Cn1ncc(NC(=O)OC(C)(C)C)c1CNCc1c([O-])cccc1F ZINC000896642069 735177623 /nfs/dbraw/zinc/17/76/23/735177623.db2.gz POJJODHLTPMWIS-UHFFFAOYSA-N -1 3 350.394 2.902 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccn2CC(F)(F)F)c1 ZINC000756539470 736339521 /nfs/dbraw/zinc/33/95/21/736339521.db2.gz NRWTTZLWFHUEFN-JTQLQIEISA-N -1 3 357.332 2.788 20 10 FFCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)s1 ZINC000763570778 736948632 /nfs/dbraw/zinc/94/86/32/736948632.db2.gz HTXPYUSYXNEPNR-UHFFFAOYSA-N -1 3 351.497 2.784 20 10 FFCDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773084865 737869720 /nfs/dbraw/zinc/86/97/20/737869720.db2.gz UDCHQPQQPMPISD-NSHDSACASA-N -1 3 368.480 2.640 20 10 FFCDHM CC[C@@H](NCc1nnnn1CC1CC1)c1cc(Br)ccc1[O-] ZINC000775555074 738101272 /nfs/dbraw/zinc/10/12/72/738101272.db2.gz RGTUZLXGJJNXKL-CYBMUJFWSA-N -1 3 366.263 2.792 20 10 FFCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775701673 738114989 /nfs/dbraw/zinc/11/49/89/738114989.db2.gz VIOXZBTZCMDHJD-MRXNPFEDSA-N -1 3 353.825 2.864 20 10 FFCDHM Cc1cc(Br)c([O-])c(CNCc2noc3c2COCC3)c1 ZINC000923015900 738230705 /nfs/dbraw/zinc/23/07/05/738230705.db2.gz GAHYKNVTVUKQAB-UHFFFAOYSA-N -1 3 353.216 2.814 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)C[C@H](O)CCO3)c1[O-] ZINC000933060232 739565132 /nfs/dbraw/zinc/56/51/32/739565132.db2.gz FPJHRILBJUYJSY-OAHLLOKOSA-N -1 3 353.846 2.754 20 10 FFCDHM CC[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793363224 739774015 /nfs/dbraw/zinc/77/40/15/739774015.db2.gz RGKXKXDXHKVBDL-XJKSGUPXSA-N -1 3 356.260 2.925 20 10 FFCDHM COC(=O)c1cc(C(C)(C)NCc2cccc(Br)c2[O-])no1 ZINC000810165772 741394035 /nfs/dbraw/zinc/39/40/35/741394035.db2.gz BTPZPOANOFGKHM-UHFFFAOYSA-N -1 3 369.215 2.954 20 10 FFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2nccc3sccc32)CC1 ZINC000811533682 741534991 /nfs/dbraw/zinc/53/49/91/741534991.db2.gz WHNKRQKYXRQKSP-UHFFFAOYSA-N -1 3 355.419 2.670 20 10 FFCDHM COc1cc(Br)cc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000818630658 742286472 /nfs/dbraw/zinc/28/64/72/742286472.db2.gz XADVYEFTGVYEMQ-NSHDSACASA-N -1 3 360.248 3.000 20 10 FFCDHM COC(=O)CN(Cc1cncn1C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000822442373 742734277 /nfs/dbraw/zinc/73/42/77/742734277.db2.gz DDKHKDCDMVXVIJ-UHFFFAOYSA-N -1 3 351.834 2.998 20 10 FFCDHM COC(=O)[C@H](CC(F)(F)F)NCc1ccc(Br)cc1[O-] ZINC000825671858 743308711 /nfs/dbraw/zinc/30/87/11/743308711.db2.gz QVJUYIUYJMKVAZ-VIFPVBQESA-N -1 3 356.138 2.738 20 10 FFCDHM CCOC(=O)[C@H](NCc1ccc(Br)cc1[O-])[C@@H]1CCCOC1 ZINC000825671346 743308812 /nfs/dbraw/zinc/30/88/12/743308812.db2.gz IIPGYRNMXNEPRK-IUODEOHRSA-N -1 3 372.259 2.603 20 10 FFCDHM Cc1cc([O-])c(CN2CCc3sc(S(N)(=O)=O)cc3C2)c(Cl)c1 ZINC000827776254 744975538 /nfs/dbraw/zinc/97/55/38/744975538.db2.gz OIUXWSCGFPHNRC-UHFFFAOYSA-N -1 3 372.899 2.621 20 10 FFCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1C(=O)c1cscn1 ZINC000835058038 745941509 /nfs/dbraw/zinc/94/15/09/745941509.db2.gz WWPIZGXPJRJINE-NSHDSACASA-N -1 3 351.859 2.849 20 10 FFCDHM CCN(Cc1nnn(C(C)(C)C)n1)Cc1cc(Br)ccc1[O-] ZINC000846808018 748548838 /nfs/dbraw/zinc/54/88/38/748548838.db2.gz OXLPRKXINMZBDW-UHFFFAOYSA-N -1 3 368.279 2.918 20 10 FFCDHM CC[C@H]([NH2+][C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1[O-] ZINC001589569131 948896161 /nfs/dbraw/zinc/89/61/61/948896161.db2.gz STCVQUJVCRSXFV-YQVWRLOYSA-N -1 3 368.433 2.860 20 10 FFCDHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1Cn1cccn1 ZINC000871874577 1013096541 /nfs/dbraw/zinc/09/65/41/1013096541.db2.gz SEKNZLHMOCAYNU-GOSISDBHSA-N -1 3 366.421 2.641 20 10 FFCDHM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Cl)cc1[O-] ZINC001275892863 1013150251 /nfs/dbraw/zinc/15/02/51/1013150251.db2.gz LIQWLEKJDOBHNH-YJYMSZOUSA-N -1 3 364.873 2.980 20 10 FFCDHM CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001604083535 972481475 /nfs/dbraw/zinc/48/14/75/972481475.db2.gz OYMIHHLXHNYONA-GOSISDBHSA-N -1 3 370.453 2.875 20 10 FFCDHM CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001167521331 966066590 /nfs/dbraw/zinc/06/65/90/966066590.db2.gz SCWSYZPKFMFMLL-UHFFFAOYSA-N -1 3 369.352 2.701 20 10 FFCDHM COc1ccc(-n2c(C)cc(C(=O)NCc3nc(C)cc(=O)[n-]3)c2C)cc1 ZINC000911863601 983907611 /nfs/dbraw/zinc/90/76/11/983907611.db2.gz NEZFRQSOAHZBEM-UHFFFAOYSA-N -1 3 366.421 2.837 20 10 FFCDHM CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC001597102337 986727854 /nfs/dbraw/zinc/72/78/54/986727854.db2.gz WIMNKNKJLJSTFP-MSOLQXFVSA-N -1 3 357.406 2.797 20 10 FFCDHM CCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC001597102337 986727866 /nfs/dbraw/zinc/72/78/66/986727866.db2.gz WIMNKNKJLJSTFP-MSOLQXFVSA-N -1 3 357.406 2.797 20 10 FFCDHM O=C(NCc1ccnc(OCC(F)(F)F)c1)NCc1c([O-])cccc1F ZINC000914042723 987139392 /nfs/dbraw/zinc/13/93/92/987139392.db2.gz CQRBRSWEHMKIIO-UHFFFAOYSA-N -1 3 373.306 2.867 20 10 FFCDHM O=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000186878599 989310210 /nfs/dbraw/zinc/31/02/10/989310210.db2.gz QXCNGSDMDTVONZ-UHFFFAOYSA-N -1 3 366.417 2.795 20 10 FFCDHM O=c1cc(-c2nc(-c3ncccc3C=CN3CCCC3)no2)cc([O-])[nH]1 ZINC001212566365 990264229 /nfs/dbraw/zinc/26/42/29/990264229.db2.gz QHPGUANLKBHICU-WEVVVXLNSA-N -1 3 351.366 2.671 20 10 FFCDHM CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC000917732126 990267827 /nfs/dbraw/zinc/26/78/27/990267827.db2.gz KQHPWMIMMQTPPE-LBPRGKRZSA-N -1 3 360.433 2.840 20 10 FFCDHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(O)c(O)c3)nc2)n1 ZINC000811811097 995260352 /nfs/dbraw/zinc/26/03/52/995260352.db2.gz LHVDBYMRANGSCJ-UHFFFAOYSA-N -1 3 352.394 2.872 20 10 FFCDHM CO[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001599079707 996971297 /nfs/dbraw/zinc/97/12/97/996971297.db2.gz WCKHNQQERWZNNZ-HXUWFJFHSA-N -1 3 357.406 2.647 20 10 FFCDHM CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001599079707 996971311 /nfs/dbraw/zinc/97/13/11/996971311.db2.gz WCKHNQQERWZNNZ-HXUWFJFHSA-N -1 3 357.406 2.647 20 10 FFCDHM CN(C)C(=O)[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144300202 998291699 /nfs/dbraw/zinc/29/16/99/998291699.db2.gz WUDFXTLBAJAFST-SNVBAGLBSA-N -1 3 359.239 2.594 20 10 FFCDHM CCOC(=O)[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000741242705 999715390 /nfs/dbraw/zinc/71/53/90/999715390.db2.gz RIIBKCVEFRXPNK-GOSISDBHSA-N -1 3 359.422 2.781 20 10 FFCDHM Cc1ccccc1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000769673471 1000574301 /nfs/dbraw/zinc/57/43/01/1000574301.db2.gz YHZBGXNKNIIYCF-UHFFFAOYSA-N -1 3 374.462 2.877 20 10 FFCDHM COC(=O)c1cc(NC(=O)c2cc(O)c([O-])c(O)c2)c(OC)cc1Cl ZINC001148586545 1001175156 /nfs/dbraw/zinc/17/51/56/1001175156.db2.gz RURVIZBSIFSWPP-UHFFFAOYSA-N -1 3 367.741 2.504 20 10 FFCDHM O=C(NCc1ccc(OCC2CCOCC2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148591276 1001178020 /nfs/dbraw/zinc/17/80/20/1001178020.db2.gz WRUPXUJRIBNMPN-UHFFFAOYSA-N -1 3 373.405 2.539 20 10 FFCDHM COCCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772176135 1001311470 /nfs/dbraw/zinc/31/14/70/1001311470.db2.gz IQFZIOPVRLBIPL-QGZVFWFLSA-N -1 3 373.365 2.522 20 10 FFCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000774649935 1002301494 /nfs/dbraw/zinc/30/14/94/1002301494.db2.gz NOSKIFUOTDBKGL-OAHLLOKOSA-N -1 3 373.453 2.666 20 10 FFCDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)cc1F ZINC001184844936 1002736263 /nfs/dbraw/zinc/73/62/63/1002736263.db2.gz DLYYCJLUNSMDRE-UHFFFAOYSA-N -1 3 356.394 2.518 20 10 FFCDHM COc1c([O-])c(CN(C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000774876616 1002939991 /nfs/dbraw/zinc/93/99/91/1002939991.db2.gz BOKYCTABZQOUMI-INIZCTEOSA-N -1 3 371.393 2.546 20 10 FFCDHM COc1c([O-])c(CN2CCN3CCOc4cccc2c43)ccc1[N+](=O)[O-] ZINC000775054905 1003441971 /nfs/dbraw/zinc/44/19/71/1003441971.db2.gz AMLLQOGCHQIUGT-UHFFFAOYSA-N -1 3 357.366 2.528 20 10 FFCDHM COCCn1nc(C)cc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001198098064 1004481002 /nfs/dbraw/zinc/48/10/02/1004481002.db2.gz ISFDIVXJZSKKIF-UHFFFAOYSA-N -1 3 374.828 2.675 20 10 FFCDHM CN(C)S(=O)(=O)c1ccccc1CNCc1cc(Cl)cc(F)c1[O-] ZINC001199135945 1004839796 /nfs/dbraw/zinc/83/97/96/1004839796.db2.gz DCWDCYORGDZYPI-UHFFFAOYSA-N -1 3 372.849 2.725 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccn2cnnc12 ZINC001152393731 1032159233 /nfs/dbraw/zinc/15/92/33/1032159233.db2.gz CANHEKUYGCUZNT-UHFFFAOYSA-N -1 3 353.769 2.567 20 10 FFCDHM COc1cccc([C@H](O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000863739396 1010313633 /nfs/dbraw/zinc/31/36/33/1010313633.db2.gz KSUJDGVIIHXAIK-GOSISDBHSA-N -1 3 357.406 2.692 20 10 FFCDHM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3cc(Cl)ccc3[O-])C[C@@]2(F)C1=O ZINC001275247512 1012135518 /nfs/dbraw/zinc/13/55/18/1012135518.db2.gz AVFREOSKGUGXFM-ZTFRIQLXSA-N -1 3 358.816 2.919 20 10 FFCDHM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N)cc3[O-])cc2F)C[C@H](C)O1 ZINC000827364636 1017780484 /nfs/dbraw/zinc/78/04/84/1017780484.db2.gz JIVHVKJBJZVVIV-STQMWFEESA-N -1 3 373.428 2.657 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000928710509 1019083784 /nfs/dbraw/zinc/08/37/84/1019083784.db2.gz UAUFTZUAIKZHII-QGZVFWFLSA-N -1 3 366.396 2.760 20 10 FFCDHM Cc1cc(N2CCOCC2)ccc1NC(=O)NCc1c([O-])cccc1F ZINC000929597014 1019534388 /nfs/dbraw/zinc/53/43/88/1019534388.db2.gz CETRHHIXUWGQTF-UHFFFAOYSA-N -1 3 359.401 2.998 20 10 FFCDHM CCCN(C)c1ccccc1NC(=O)C(=O)NCc1c([O-])cccc1F ZINC001120973935 1023551438 /nfs/dbraw/zinc/55/14/38/1023551438.db2.gz KKIAXDUPHRODNG-UHFFFAOYSA-N -1 3 359.401 2.632 20 10 FFCDHM [O-]c1cccc(F)c1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001137833006 1033166409 /nfs/dbraw/zinc/16/64/09/1033166409.db2.gz PMTZENMISHQVOI-DFQSSKMNSA-N -1 3 358.413 2.875 20 10 FFCDHM Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CC[NH2+][C@H](C)C3)c1C2=O ZINC001218480173 1033172305 /nfs/dbraw/zinc/17/23/05/1033172305.db2.gz KLIAKBRXMGPPDK-DGCLKSJQSA-N -1 3 367.401 2.701 20 10 FFCDHM [O-]c1cccc(F)c1CN1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001137837356 1033177538 /nfs/dbraw/zinc/17/75/38/1033177538.db2.gz CJPQOIJUAZXEQY-OAHLLOKOSA-N -1 3 368.412 2.834 20 10 FFCDHM COc1ccc(N2CCN(C(=O)c3ccc(C(C)=O)c([O-])c3)CC2)cc1 ZINC000839458736 1026684560 /nfs/dbraw/zinc/68/45/60/1026684560.db2.gz AKYHYNCWODHNOT-UHFFFAOYSA-N -1 3 354.406 2.566 20 10 FFCDHM O=C1COc2nc(NCc3cc(Cl)c4cccnc4c3[O-])ccc2N1 ZINC001157726096 1029652171 /nfs/dbraw/zinc/65/21/71/1029652171.db2.gz DHXISRWBWHVNGQ-UHFFFAOYSA-N -1 3 356.769 2.932 20 10 FFCDHM NC(=O)c1c(Cl)ncnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726056 1029652246 /nfs/dbraw/zinc/65/22/46/1029652246.db2.gz BTZGCYVVTGLNCC-UHFFFAOYSA-N -1 3 364.192 2.748 20 10 FFCDHM C[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840882479 1029904302 /nfs/dbraw/zinc/90/43/02/1029904302.db2.gz OLUMMLTYMYNONJ-MEDUHNTESA-N -1 3 359.357 2.896 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@H]2c2ccccc2F)c1[O-] ZINC000784519564 1030662719 /nfs/dbraw/zinc/66/27/19/1030662719.db2.gz UZWKWGJNOBUBEK-QGZVFWFLSA-N -1 3 360.360 2.546 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC001203650809 1030804657 /nfs/dbraw/zinc/80/46/57/1030804657.db2.gz DAZDKJSHIGWVNA-GDBMZVCRSA-N -1 3 368.861 2.866 20 10 FFCDHM [O-]c1ccc(Cl)cc1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001203656375 1030807502 /nfs/dbraw/zinc/80/75/02/1030807502.db2.gz OZABOHDHQNQBHH-UHFFFAOYSA-N -1 3 362.861 2.970 20 10 FFCDHM COc1ccc(N2CCC(NC(=O)c3c([O-])cccc3OC)CC2)cc1 ZINC001143191057 1031295088 /nfs/dbraw/zinc/29/50/88/1031295088.db2.gz LBVDNZIABLPTSG-UHFFFAOYSA-N -1 3 356.422 2.808 20 10 FFCDHM CC(C)CN1C[C@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276967656 1033865107 /nfs/dbraw/zinc/86/51/07/1033865107.db2.gz RVMLGXUVSHLHHV-GOSISDBHSA-N -1 3 370.852 2.644 20 10 FFCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001139685457 1035198032 /nfs/dbraw/zinc/19/80/32/1035198032.db2.gz YYVQMVJGAQMISW-KUHUBIRLSA-N -1 3 362.376 2.878 20 10 FFCDHM CC(C)N(C)C(=O)C1=NO[C@]2(CCN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001140339580 1035443997 /nfs/dbraw/zinc/44/39/97/1035443997.db2.gz XUFOKKWSWCNIPV-GOSISDBHSA-N -1 3 365.861 2.633 20 10 FFCDHM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c([O-])cccc2Cl)C1 ZINC001140342563 1035445569 /nfs/dbraw/zinc/44/55/69/1035445569.db2.gz PGTULVXNQVIVSM-QWHCGFSZSA-N -1 3 363.845 2.998 20 10 FFCDHM O=C(c1ccco1)N1CCCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262553 1035533798 /nfs/dbraw/zinc/53/37/98/1035533798.db2.gz JFWGAYFQARBCOV-UHFFFAOYSA-N -1 3 350.802 2.692 20 10 FFCDHM COc1cccnc1N1CCN(Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232267741 1035537477 /nfs/dbraw/zinc/53/74/77/1035537477.db2.gz GFARPUJYVSITAP-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM COc1cccc(N2CCN(Cc3cc(Cl)c(OC)cc3[O-])CC2)n1 ZINC001232268442 1035539909 /nfs/dbraw/zinc/53/99/09/1035539909.db2.gz NSVOPNBZDHFJEM-UHFFFAOYSA-N -1 3 363.845 2.780 20 10 FFCDHM Cc1cc([O-])c(CN2CC3(C2)COCC(=O)N3C2CCCC2)cc1Cl ZINC001277215030 1035589678 /nfs/dbraw/zinc/58/96/78/1035589678.db2.gz OBOKNQNJPJAANR-UHFFFAOYSA-N -1 3 364.873 2.710 20 10 FFCDHM Cc1noc([C@H]2CCN(Cc3c([O-])cc(Br)cc3F)C2)n1 ZINC001233029667 1036266182 /nfs/dbraw/zinc/26/61/82/1036266182.db2.gz GQJVWMJGWJQIMJ-VIFPVBQESA-N -1 3 356.195 2.975 20 10 FFCDHM COc1cc([O-])c(CN2CCC(F)(F)[C@H](CO)C2)cc1Br ZINC001233134842 1036385963 /nfs/dbraw/zinc/38/59/63/1036385963.db2.gz FZAFQYPTUZAGDJ-JTQLQIEISA-N -1 3 366.202 2.613 20 10 FFCDHM O=C1c2cccc(OC3CCN(CCF)CC3)c2C(=O)c2cccc([O-])c21 ZINC001229185813 1036536974 /nfs/dbraw/zinc/53/69/74/1036536974.db2.gz CFOJMOVNDSGVGE-UHFFFAOYSA-N -1 3 369.392 2.980 20 10 FFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC(N2CCOCC2)CC1 ZINC001235297522 1037460185 /nfs/dbraw/zinc/46/01/85/1037460185.db2.gz MOSULBVWZILENY-UHFFFAOYSA-N -1 3 373.266 2.590 20 10 FFCDHM CCOc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)cc1 ZINC001231452799 1037590798 /nfs/dbraw/zinc/59/07/98/1037590798.db2.gz FUOVZDHQUWYPFM-UHFFFAOYSA-N -1 3 356.422 2.811 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cc1O ZINC001231451310 1037590869 /nfs/dbraw/zinc/59/08/69/1037590869.db2.gz WZZYLJDMWGJQNK-GASCZTMLSA-N -1 3 362.426 2.674 20 10 FFCDHM CN(C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1)C(=O)OC(C)(C)C ZINC001231455926 1037597850 /nfs/dbraw/zinc/59/78/50/1037597850.db2.gz XTXDWSUIXIRAQY-CYBMUJFWSA-N -1 3 364.442 2.779 20 10 FFCDHM CN(C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1)C(=O)OC(C)(C)C ZINC001231455926 1037597860 /nfs/dbraw/zinc/59/78/60/1037597860.db2.gz XTXDWSUIXIRAQY-CYBMUJFWSA-N -1 3 364.442 2.779 20 10 FFCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CC12CC2 ZINC001231561147 1037684257 /nfs/dbraw/zinc/68/42/57/1037684257.db2.gz RPUKXHVTLWXZSP-OAHLLOKOSA-N -1 3 362.426 2.580 20 10 FFCDHM O=C(N[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001231910504 1038005709 /nfs/dbraw/zinc/00/57/09/1038005709.db2.gz RTLKGNIKPKFLSI-LESCRADOSA-N -1 3 364.873 2.551 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001236669555 1038182789 /nfs/dbraw/zinc/18/27/89/1038182789.db2.gz OUHMPNIUGUFDCG-HNNXBMFYSA-N -1 3 355.232 2.538 20 10 FFCDHM Cc1cc([O-])c(CN2CCN(c3ccncn3)CC2)cc1Br ZINC001237681089 1043306689 /nfs/dbraw/zinc/30/66/89/1043306689.db2.gz HEYLGYOEIPTCCE-UHFFFAOYSA-N -1 3 363.259 2.575 20 10 FFCDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(Br)c(C)cc1[O-] ZINC001237682236 1043308704 /nfs/dbraw/zinc/30/87/04/1043308704.db2.gz OJACUOYKMSSEMU-NSHDSACASA-N -1 3 364.186 2.846 20 10 FFCDHM C[C@@H]1CN(C(=O)[C@H]2CC23CN(Cc2cc(Cl)ccc2[O-])C3)C[C@@H](C)O1 ZINC001279983156 1044034047 /nfs/dbraw/zinc/03/40/47/1044034047.db2.gz FEOJQPILEOOKOZ-XJKCOSOUSA-N -1 3 364.873 2.503 20 10 FFCDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323290840 1045534628 /nfs/dbraw/zinc/53/46/28/1045534628.db2.gz KNPFGPXSESQIMN-UHFFFAOYSA-N -1 3 365.477 2.950 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001351382837 1056235781 /nfs/dbraw/zinc/23/57/81/1056235781.db2.gz IKJHRDGAXMYWTD-AOOOYVTPSA-N -1 3 359.480 2.597 20 10 FFCDHM CCOC(=O)c1nc2ccccn2c1NC(=O)NCc1c([O-])cccc1F ZINC001466897039 1063587868 /nfs/dbraw/zinc/58/78/68/1063587868.db2.gz CQEJQFCNJAJUHV-UHFFFAOYSA-N -1 3 372.356 2.677 20 10 FFCDHM C[C@@H]1CN(C(C)(C)CNC(=O)NCc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC001467898376 1063878722 /nfs/dbraw/zinc/87/87/22/1063878722.db2.gz NNIUWOYLMUXACK-BETUJISGSA-N -1 3 369.893 2.733 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC001471975420 1064876132 /nfs/dbraw/zinc/87/61/32/1064876132.db2.gz ZHNQKYDFTFOHPW-SFHVURJKSA-N -1 3 358.394 2.777 20 10 FFCDHM Cn1ccnc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1F ZINC001472277762 1064996730 /nfs/dbraw/zinc/99/67/30/1064996730.db2.gz RACPIGFKEQPLFF-OAHLLOKOSA-N -1 3 359.332 2.629 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1[O-] ZINC001473697527 1065321510 /nfs/dbraw/zinc/32/15/10/1065321510.db2.gz FBYZLBYPZHLXMN-GJZGRUSLSA-N -1 3 364.417 2.928 20 10 FFCDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001579886113 1078708321 /nfs/dbraw/zinc/70/83/21/1078708321.db2.gz HHUBJAPEIJAJQP-UHFFFAOYSA-N -1 3 374.788 2.556 20 10 FFCDHM C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC001556730235 1075769493 /nfs/dbraw/zinc/76/94/93/1075769493.db2.gz JCARRLFWGXVTQE-WBMJQRKESA-N -1 3 372.396 2.719 20 10 FFCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001558454680 1076009248 /nfs/dbraw/zinc/00/92/48/1076009248.db2.gz JJPQNTRCKADBJH-UHFFFAOYSA-N -1 3 363.301 2.895 20 10 FFCDHM COC(=O)CN(CCCOC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC001559607220 1076176811 /nfs/dbraw/zinc/17/68/11/1076176811.db2.gz DVEYKQJLDKRCBN-UHFFFAOYSA-N -1 3 355.740 2.947 20 10 FFCDHM CNC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1Cl ZINC001562239184 1076484002 /nfs/dbraw/zinc/48/40/02/1076484002.db2.gz OALPVVHZZUKPPS-UHFFFAOYSA-N -1 3 351.765 2.866 20 10 FFCDHM COC(=O)c1c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001574082055 1077891959 /nfs/dbraw/zinc/89/19/59/1077891959.db2.gz SZCNEVXJANLKHE-VXGBXAGGSA-N -1 3 362.401 2.647 20 10 FFCDHM C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962160 1080905129 /nfs/dbraw/zinc/90/51/29/1080905129.db2.gz HCLBWWGDNUVMRP-OPQQBVKSSA-N -1 3 371.363 2.723 20 10 FFCDHM C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589968921 1080911114 /nfs/dbraw/zinc/91/11/14/1080911114.db2.gz HUQXNPNHPNQJTR-LBPRGKRZSA-N -1 3 367.409 2.584 20 10 FFCDHM C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978613 1080917623 /nfs/dbraw/zinc/91/76/23/1080917623.db2.gz VRCBPFGUBVIQRJ-BMIGLBTASA-N -1 3 355.373 2.886 20 10 FFCDHM Cc1nnccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370988754 512166804 /nfs/dbraw/zinc/16/68/04/512166804.db2.gz WMPNURLIVGEVAM-HNNXBMFYSA-N -1 3 360.845 2.538 20 10 FFCDHM CCCc1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000072629881 507834365 /nfs/dbraw/zinc/83/43/65/507834365.db2.gz FQLKOXDGEWTFGQ-UHFFFAOYSA-N -1 3 353.806 2.556 20 10 FFCDHM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)Cc1ccccc1[O-] ZINC000109770677 507986571 /nfs/dbraw/zinc/98/65/71/507986571.db2.gz FEXLEEISPLDUEC-HNNXBMFYSA-N -1 3 367.449 2.978 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccc(C)[nH]c1=O ZINC000075417030 508106654 /nfs/dbraw/zinc/10/66/54/508106654.db2.gz XQZMHYPWARWCJU-UHFFFAOYSA-N -1 3 365.227 2.814 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367211170 512388063 /nfs/dbraw/zinc/38/80/63/512388063.db2.gz CHGJRVZQCUZZPD-GFCCVEGCSA-N -1 3 360.845 2.830 20 10 FFCDHM CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000186036431 509494067 /nfs/dbraw/zinc/49/40/67/509494067.db2.gz RAACXYVPLZUUIO-INIZCTEOSA-N -1 3 374.462 2.741 20 10 FFCDHM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc(O)c1[O-] ZINC000193055693 509757070 /nfs/dbraw/zinc/75/70/70/509757070.db2.gz FNKNWFVBFQMTAO-UHFFFAOYSA-N -1 3 350.378 2.945 20 10 FFCDHM C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000188212174 510650623 /nfs/dbraw/zinc/65/06/23/510650623.db2.gz WIEYTHIKHOTYJC-ZIAGYGMSSA-N -1 3 356.422 2.959 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C1Cc2ccccc2C1 ZINC000277141147 510955546 /nfs/dbraw/zinc/95/55/46/510955546.db2.gz AJVGRCOARILSFC-UHFFFAOYSA-N -1 3 356.809 2.977 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[C@H]1C(=O)OC ZINC000285626296 510983069 /nfs/dbraw/zinc/98/30/69/510983069.db2.gz KCMSUMUAJAJHMR-QWHCGFSZSA-N -1 3 370.243 2.702 20 10 FFCDHM COc1c([O-])c(CN2CCN([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278291896 510988407 /nfs/dbraw/zinc/98/84/07/510988407.db2.gz UYTCDLBTSGWVNI-AWEZNQCLSA-N -1 3 372.425 2.583 20 10 FFCDHM CCCNC(=O)C1(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCCC1 ZINC000278477271 510993537 /nfs/dbraw/zinc/99/35/37/510993537.db2.gz IPLJFTMXSLCULB-UHFFFAOYSA-N -1 3 365.430 2.628 20 10 FFCDHM Cc1cc(Br)cc(CN2CCO[C@@]3(CCCOC3)C2)c1[O-] ZINC000289513932 511103122 /nfs/dbraw/zinc/10/31/22/511103122.db2.gz OWEYJZLQFDGLSB-INIZCTEOSA-N -1 3 356.260 2.845 20 10 FFCDHM O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294640937 511128958 /nfs/dbraw/zinc/12/89/58/511128958.db2.gz KFJGYVMAUWZDPX-QMMMGPOBSA-N -1 3 354.731 2.685 20 10 FFCDHM Cc1ncc2n1CC[C@H](C(=O)NCc1cccc(Br)c1[O-])C2 ZINC000290477930 511143740 /nfs/dbraw/zinc/14/37/40/511143740.db2.gz QSNLTJHUMINLSD-NSHDSACASA-N -1 3 364.243 2.538 20 10 FFCDHM Cc1cc(Br)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000279740303 511195930 /nfs/dbraw/zinc/19/59/30/511195930.db2.gz XGLLXFQJVQTQMQ-MLGOLLRUSA-N -1 3 356.260 2.843 20 10 FFCDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000271982198 511391201 /nfs/dbraw/zinc/39/12/01/511391201.db2.gz XFYFMDGUONFSBS-UHFFFAOYSA-N -1 3 351.424 2.917 20 10 FFCDHM CC[C@@H]1C[C@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000273008216 511515270 /nfs/dbraw/zinc/51/52/70/511515270.db2.gz PMMYRLPTFTZAEQ-IUODEOHRSA-N -1 3 369.845 2.752 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000273397695 511525222 /nfs/dbraw/zinc/52/52/22/511525222.db2.gz MIDSZLDCLZIRJA-CYBMUJFWSA-N -1 3 366.421 2.919 20 10 FFCDHM COc1ccc(O)c([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000273444126 511526540 /nfs/dbraw/zinc/52/65/40/511526540.db2.gz NMEHGPOJJBWSFH-LLVKDONJSA-N -1 3 366.439 2.954 20 10 FFCDHM C[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446050 511526560 /nfs/dbraw/zinc/52/65/60/511526560.db2.gz ZWRCQMPTYHQPRA-UONOGXRCSA-N -1 3 372.425 2.771 20 10 FFCDHM CCNC(=O)COc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273499740 511528928 /nfs/dbraw/zinc/52/89/28/511528928.db2.gz PWQHHDCCQYTIFY-ZDUSSCGKSA-N -1 3 372.421 2.867 20 10 FFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc(C2CC2)no1 ZINC000281892994 512002800 /nfs/dbraw/zinc/00/28/00/512002800.db2.gz HFJDLEMXLXSLMZ-UHFFFAOYSA-N -1 3 364.785 2.726 20 10 FFCDHM CN(C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000275143780 512055761 /nfs/dbraw/zinc/05/57/61/512055761.db2.gz QDGXQWMCVOBBSW-GFCCVEGCSA-N -1 3 350.415 2.569 20 10 FFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000375823216 512525795 /nfs/dbraw/zinc/52/57/95/512525795.db2.gz JGWDUACDZNTOTH-WMZOPIPTSA-N -1 3 361.417 2.556 20 10 FFCDHM Cc1c2ccccc2n(C)c1CNC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000467991739 515189996 /nfs/dbraw/zinc/18/99/96/515189996.db2.gz AHPKRUJCRPOENS-UHFFFAOYSA-N -1 3 363.368 2.565 20 10 FFCDHM COCCn1c(C)c(C)c2cc(C(=O)NCc3ncccc3[O-])ccc21 ZINC000473634259 515697774 /nfs/dbraw/zinc/69/77/74/515697774.db2.gz RKTHBCJJKAACNC-UHFFFAOYSA-N -1 3 353.422 2.935 20 10 FFCDHM Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000478879744 515993904 /nfs/dbraw/zinc/99/39/04/515993904.db2.gz CRSPLJXRYZJPNL-UHFFFAOYSA-N -1 3 362.389 2.692 20 10 FFCDHM CN(C)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736778130 599039107 /nfs/dbraw/zinc/03/91/07/599039107.db2.gz BANXUOVJBMAMIX-UHFFFAOYSA-N -1 3 363.347 2.959 20 10 FFCDHM CN(C)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736778130 599039110 /nfs/dbraw/zinc/03/91/10/599039110.db2.gz BANXUOVJBMAMIX-UHFFFAOYSA-N -1 3 363.347 2.959 20 10 FFCDHM CCCN(Cc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821109229 607304983 /nfs/dbraw/zinc/30/49/83/607304983.db2.gz DGTBTVHRZANNBV-UHFFFAOYSA-N -1 3 354.370 2.897 20 10 FFCDHM CCCN(Cc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821109229 607304984 /nfs/dbraw/zinc/30/49/84/607304984.db2.gz DGTBTVHRZANNBV-UHFFFAOYSA-N -1 3 354.370 2.897 20 10 FFCDHM O=C([O-])c1cccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000821552812 598203069 /nfs/dbraw/zinc/20/30/69/598203069.db2.gz TYTQZHKRMAZUSY-UHFFFAOYSA-N -1 3 358.413 2.775 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737327801 598806337 /nfs/dbraw/zinc/80/63/37/598806337.db2.gz BCEIFOMDLZETPA-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737327801 598806339 /nfs/dbraw/zinc/80/63/39/598806339.db2.gz BCEIFOMDLZETPA-UHFFFAOYSA-N -1 3 359.393 2.922 20 10 FFCDHM COc1ccccc1[C@@H](CNCc1ccc(N(C)C)c(F)c1)NC(=O)[O-] ZINC000739965049 602874995 /nfs/dbraw/zinc/87/49/95/602874995.db2.gz VFHDGRDSPJIEMX-MRXNPFEDSA-N -1 3 361.417 2.999 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826209383 607753904 /nfs/dbraw/zinc/75/39/04/607753904.db2.gz ZNUPXCUAIZPBPS-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM COc1ccc(N(C)Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826209383 607753905 /nfs/dbraw/zinc/75/39/05/607753905.db2.gz ZNUPXCUAIZPBPS-UHFFFAOYSA-N -1 3 355.398 2.529 20 10 FFCDHM CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000092509647 728468152 /nfs/dbraw/zinc/46/81/52/728468152.db2.gz BXWZRKMJGUUNHI-CQSZACIVSA-N -1 3 355.276 2.988 20 10 FFCDHM O=C([C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCOCC1 ZINC000124480210 728670976 /nfs/dbraw/zinc/67/09/76/728670976.db2.gz JLPITLVCYDUYSR-LBPRGKRZSA-N -1 3 373.280 2.770 20 10 FFCDHM Cc1ccnc(NC(=O)CN(C)Cc2c([O-])cccc2Br)c1 ZINC000862237481 730679697 /nfs/dbraw/zinc/67/96/97/730679697.db2.gz QJDRFFFXTWZHAL-UHFFFAOYSA-N -1 3 364.243 2.929 20 10 FFCDHM C[C@H]1CN=C(N2CCN(Cc3c([O-])cccc3Br)CC2)S1 ZINC000862248372 730681635 /nfs/dbraw/zinc/68/16/35/730681635.db2.gz LBZFXMOUORJVLW-NSHDSACASA-N -1 3 370.316 2.764 20 10 FFCDHM C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1c([O-])cccc1F ZINC000886500156 733798796 /nfs/dbraw/zinc/79/87/96/733798796.db2.gz IODIIRXSVILISO-GFCCVEGCSA-N -1 3 352.431 2.632 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(C2OCCO2)CC1 ZINC000893993251 734783647 /nfs/dbraw/zinc/78/36/47/734783647.db2.gz CNEBTKSOEYNMPT-UHFFFAOYSA-N -1 3 360.223 2.879 20 10 FFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897259150 735211638 /nfs/dbraw/zinc/21/16/38/735211638.db2.gz YEWWGFOPRZMZAD-CYBMUJFWSA-N -1 3 374.250 2.800 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(N)=O)Cc3ccccc32)c1[O-] ZINC000750043369 735767675 /nfs/dbraw/zinc/76/76/75/735767675.db2.gz IPLOHGJQAIPTFA-AWEZNQCLSA-N -1 3 358.825 2.912 20 10 FFCDHM CN(C)C(=O)N1CCN(Cc2cc(Br)ccc2[O-])C(C)(C)C1 ZINC000761226462 736709513 /nfs/dbraw/zinc/70/95/13/736709513.db2.gz SEXJZNVOZQHNHV-UHFFFAOYSA-N -1 3 370.291 2.733 20 10 FFCDHM O=S(=O)(CCC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000770689611 737653161 /nfs/dbraw/zinc/65/31/61/737653161.db2.gz VGIZKQBYGSHDFO-INIZCTEOSA-N -1 3 372.918 2.730 20 10 FFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000790704830 739486713 /nfs/dbraw/zinc/48/67/13/739486713.db2.gz KUCOQBSHJSXYLR-RYUDHWBXSA-N -1 3 350.415 2.568 20 10 FFCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)C[C@@H](O)CCO3)c1[O-] ZINC000933060231 739564958 /nfs/dbraw/zinc/56/49/58/739564958.db2.gz FPJHRILBJUYJSY-HNNXBMFYSA-N -1 3 353.846 2.754 20 10 FFCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000793232577 739755797 /nfs/dbraw/zinc/75/57/97/739755797.db2.gz YUUXIWJIHBVGPC-BLLLJJGKSA-N -1 3 356.260 2.843 20 10 FFCDHM CCn1nccc1CN(CCO)Cc1cc(C)cc(Br)c1[O-] ZINC000793307332 739764410 /nfs/dbraw/zinc/76/44/10/739764410.db2.gz MSIZQTLYFSNMTK-UHFFFAOYSA-N -1 3 368.275 2.674 20 10 FFCDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1C ZINC000797819381 740275962 /nfs/dbraw/zinc/27/59/62/740275962.db2.gz HPZKRBAFKIXDRP-UHFFFAOYSA-N -1 3 367.423 2.535 20 10 FFCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000805828466 741015668 /nfs/dbraw/zinc/01/56/68/741015668.db2.gz IMGODNVNTPYALX-AWEZNQCLSA-N -1 3 354.834 2.959 20 10 FFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1F ZINC000807106734 741111133 /nfs/dbraw/zinc/11/11/33/741111133.db2.gz AHLDDNWAUODKBS-CQSZACIVSA-N -1 3 363.820 2.974 20 10 FFCDHM CC[C@@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)C[C@H](C)S1(=O)=O ZINC000808192451 741197525 /nfs/dbraw/zinc/19/75/25/741197525.db2.gz DBWIBLQHADOTBT-XJKSGUPXSA-N -1 3 363.479 2.952 20 10 FFCDHM Cc1cc(CN2CCN(Cc3ccc(Br)cc3[O-])CC2)on1 ZINC000824542921 743101697 /nfs/dbraw/zinc/10/16/97/743101697.db2.gz ZRQHDZIPEIBYBY-UHFFFAOYSA-N -1 3 366.259 2.769 20 10 FFCDHM C[C@@H]1OCC[C@@]12CN(Cc1ccc(Br)cc1[O-])C[C@@H](C)O2 ZINC000825731935 743320012 /nfs/dbraw/zinc/32/00/12/743320012.db2.gz MONQFVSJQHEZRM-BFQNTYOBSA-N -1 3 356.260 2.923 20 10 FFCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000825940269 743345947 /nfs/dbraw/zinc/34/59/47/743345947.db2.gz RCHYBOYJAATTIU-ZDUSSCGKSA-N -1 3 357.248 2.865 20 10 FFCDHM O=S1(=O)CC[C@]2(C1)CCCN(Cc1ccc(Br)cc1[O-])C2 ZINC000826075434 743364837 /nfs/dbraw/zinc/36/48/37/743364837.db2.gz UNGKOBDVDPWKAU-OAHLLOKOSA-N -1 3 374.300 2.555 20 10 FFCDHM C[C@H]1CCC[C@H](C2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000829130923 745170415 /nfs/dbraw/zinc/17/04/15/745170415.db2.gz RVVRNRFTFHTQNY-STQMWFEESA-N -1 3 366.483 2.662 20 10 FFCDHM CCNS(=O)(=O)c1cccc(CNCc2cc(Cl)cc(F)c2[O-])c1 ZINC000839149299 746788654 /nfs/dbraw/zinc/78/86/54/746788654.db2.gz QHXZGTYHURDSLA-UHFFFAOYSA-N -1 3 372.849 2.773 20 10 FFCDHM Cc1cc([O-])c(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914624 747223180 /nfs/dbraw/zinc/22/31/80/747223180.db2.gz FLTSXVPTQNVOSU-LBPRGKRZSA-N -1 3 350.768 2.949 20 10 FFCDHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(F)cc3F)C2)cc1 ZINC000849416865 749143284 /nfs/dbraw/zinc/14/32/84/749143284.db2.gz YGTBLHAQTBMBIZ-CYBMUJFWSA-N -1 3 368.405 2.531 20 10 FFCDHM [O-]C(=NO[C@H]1CCCCO1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588297 1013088807 /nfs/dbraw/zinc/08/88/07/1013088807.db2.gz ZQSSCEYTFCTMIS-HNNXBMFYSA-N -1 3 353.382 2.976 20 10 FFCDHM COc1cccc(CC(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC000120432404 959548326 /nfs/dbraw/zinc/54/83/26/959548326.db2.gz BHHZWNBBGFLUSJ-UHFFFAOYSA-N -1 3 374.868 2.941 20 10 FFCDHM COC(C)(C)CN1CC[C@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001276038131 1013349585 /nfs/dbraw/zinc/34/95/85/1013349585.db2.gz RRBUWLDWYBDLQT-LJQANCHMSA-N -1 3 350.434 2.523 20 10 FFCDHM O=C1CN(Cc2c([O-])ccc3ccncc32)CCN1c1cccc(F)c1 ZINC000764952334 984857600 /nfs/dbraw/zinc/85/76/00/984857600.db2.gz YAWZVTHLRSNYMW-UHFFFAOYSA-N -1 3 351.381 2.928 20 10 FFCDHM O=C(NCc1ccnc(N2CCCCC2)c1)NCc1c([O-])cccc1F ZINC000913993995 987093949 /nfs/dbraw/zinc/09/39/49/987093949.db2.gz RHYKUEVMSNPTBI-UHFFFAOYSA-N -1 3 358.417 2.916 20 10 FFCDHM O=C(NCc1ccccc1CN1CCCC1=O)NCc1c([O-])cccc1F ZINC000914056822 987150598 /nfs/dbraw/zinc/15/05/98/987150598.db2.gz UKISUEAQTQNHHU-UHFFFAOYSA-N -1 3 371.412 2.653 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000914363816 987457222 /nfs/dbraw/zinc/45/72/22/987457222.db2.gz JQROMJQQGMCNFB-ZDUSSCGKSA-N -1 3 361.392 2.996 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)NC1CCC(O)(c2cccnc2)CC1 ZINC000922027015 987523542 /nfs/dbraw/zinc/52/35/42/987523542.db2.gz XSHUAKPUTLHORK-UHFFFAOYSA-N -1 3 359.401 2.556 20 10 FFCDHM COc1cccc(N2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2)c1 ZINC000916578571 989831293 /nfs/dbraw/zinc/83/12/93/989831293.db2.gz FADAZAZOBJIODI-CYBMUJFWSA-N -1 3 359.401 2.618 20 10 FFCDHM C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250157 994484317 /nfs/dbraw/zinc/48/43/17/994484317.db2.gz ROUUCGPFYRIDIB-AWEZNQCLSA-N -1 3 354.450 2.840 20 10 FFCDHM C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353276 994977440 /nfs/dbraw/zinc/97/74/40/994977440.db2.gz SBHNXTJATCUBDF-DDBGAENHSA-N -1 3 359.378 2.592 20 10 FFCDHM CN(C)C[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225051 999622785 /nfs/dbraw/zinc/62/27/85/999622785.db2.gz QPTSYKOCRKOZLL-OAHLLOKOSA-N -1 3 354.450 2.712 20 10 FFCDHM CN(C)C[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225051 999622788 /nfs/dbraw/zinc/62/27/88/999622788.db2.gz QPTSYKOCRKOZLL-OAHLLOKOSA-N -1 3 354.450 2.712 20 10 FFCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3c([O-])cccc3O)cc2F)C[C@@H](C)O1 ZINC000770402847 1000772478 /nfs/dbraw/zinc/77/24/78/1000772478.db2.gz KFIQORVOXDQZQT-CHWSQXEVSA-N -1 3 374.412 2.781 20 10 FFCDHM CN1CCC(N(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C2CCCC2)CC1 ZINC001147883661 1001001646 /nfs/dbraw/zinc/00/16/46/1001001646.db2.gz GVBKCEIVFSULIT-UHFFFAOYSA-N -1 3 368.481 2.645 20 10 FFCDHM CCOC(=O)Cc1ccc(Cl)c(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586750 1001175883 /nfs/dbraw/zinc/17/58/83/1001175883.db2.gz WQOCNMDDDJYJCR-UHFFFAOYSA-N -1 3 365.769 2.815 20 10 FFCDHM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148590144 1001176767 /nfs/dbraw/zinc/17/67/67/1001176767.db2.gz XRYVQEUSBCMJPQ-GFCCVEGCSA-N -1 3 358.177 2.574 20 10 FFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C=CN=C2N=CC=C21 ZINC001183589657 1002322552 /nfs/dbraw/zinc/32/25/52/1002322552.db2.gz VBJTVUIEFNAOFE-GFCCVEGCSA-N -1 3 352.781 2.763 20 10 FFCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1-n1nnnc1C(C)C ZINC000790927607 1002513298 /nfs/dbraw/zinc/51/32/98/1002513298.db2.gz LGVKHNDQMBLSMR-UHFFFAOYSA-N -1 3 353.382 2.758 20 10 FFCDHM COc1c([O-])c(CNc2cccc([C@@H]3CNC(=O)C3)c2)ccc1[N+](=O)[O-] ZINC000774936697 1003086109 /nfs/dbraw/zinc/08/61/09/1003086109.db2.gz DLDIDDJDOMPEJM-ZDUSSCGKSA-N -1 3 357.366 2.525 20 10 FFCDHM CCOC(=O)C12CC(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])(C1)C2 ZINC001186566811 1003347023 /nfs/dbraw/zinc/34/70/23/1003347023.db2.gz LACGQKQDKGCELW-UHFFFAOYSA-N -1 3 374.824 2.943 20 10 FFCDHM CC(C)(C)C(=O)CN1CCC(NC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193247075 1004418386 /nfs/dbraw/zinc/41/83/86/1004418386.db2.gz JWBQZIBVOSDIJG-UHFFFAOYSA-N -1 3 368.861 2.561 20 10 FFCDHM CCOc1ncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001199231205 1004876643 /nfs/dbraw/zinc/87/66/43/1004876643.db2.gz OWXWQQCRLSOCSJ-UHFFFAOYSA-N -1 3 358.785 2.713 20 10 FFCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000776345149 1005380479 /nfs/dbraw/zinc/38/04/79/1005380479.db2.gz NTBBLMVRGSGIAC-OLZOCXBDSA-N -1 3 355.394 2.756 20 10 FFCDHM CN1CCN(C(=O)c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000883142027 1006668390 /nfs/dbraw/zinc/66/83/90/1006668390.db2.gz WLIRRIFIAQTJDM-UHFFFAOYSA-N -1 3 361.392 2.670 20 10 FFCDHM COc1ccc(N2CC[C@H](NC(=O)c3ccc(C(C)=O)c([O-])c3)C2)cc1 ZINC000855225407 1007190277 /nfs/dbraw/zinc/19/02/77/1007190277.db2.gz MUPRSIRSUUOTQV-HNNXBMFYSA-N -1 3 354.406 2.612 20 10 FFCDHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)c2cccc(O)c2[O-])CC1 ZINC000816865780 1007232213 /nfs/dbraw/zinc/23/22/13/1007232213.db2.gz YFAIOJWKBTWJBX-CQSZACIVSA-N -1 3 362.426 2.617 20 10 FFCDHM CCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c([O-])c1 ZINC000856212547 1007729075 /nfs/dbraw/zinc/72/90/75/1007729075.db2.gz MMHVIAFYZMONIV-UHFFFAOYSA-N -1 3 354.450 2.846 20 10 FFCDHM COc1ccc(N2CC[C@H](CNC(=O)Cc3ccc([O-])c(F)c3)C2)cc1 ZINC000819587757 1008185688 /nfs/dbraw/zinc/18/56/88/1008185688.db2.gz PLHUFESHJCPMAF-OAHLLOKOSA-N -1 3 358.413 2.725 20 10 FFCDHM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001178413859 1008985551 /nfs/dbraw/zinc/98/55/51/1008985551.db2.gz ZKRHDOLKUHBIKA-AWEZNQCLSA-N -1 3 352.406 2.793 20 10 FFCDHM O=C(NCc1c([O-])cccc1F)C1(OCc2ccccc2)CCOCC1 ZINC000928706148 1019083871 /nfs/dbraw/zinc/08/38/71/1019083871.db2.gz SAQXVPSPIKFPQM-UHFFFAOYSA-N -1 3 359.397 2.914 20 10 FFCDHM Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)c([O-])c1O ZINC001116512132 1021256694 /nfs/dbraw/zinc/25/66/94/1021256694.db2.gz HZXIIVCWIFHVAQ-UHFFFAOYSA-N -1 3 355.799 2.715 20 10 FFCDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000753924148 1023399121 /nfs/dbraw/zinc/39/91/21/1023399121.db2.gz NSRUYYMWEHWMAU-UHFFFAOYSA-N -1 3 372.450 2.928 20 10 FFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3c([O-])cccc3F)CCO[C@@H]2C1 ZINC001137832648 1033165768 /nfs/dbraw/zinc/16/57/68/1033165768.db2.gz CCYSFSOZYCBSEY-SUMWQHHRSA-N -1 3 366.433 2.599 20 10 FFCDHM COCCN(Cc1c([O-])cccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839529 1033183197 /nfs/dbraw/zinc/18/31/97/1033183197.db2.gz BUDKZYUYHKQPMW-AWEZNQCLSA-N -1 3 368.449 2.989 20 10 FFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000193134258 1024397216 /nfs/dbraw/zinc/39/72/16/1024397216.db2.gz NVEARVBJHQGJQT-PKOBYXMFSA-N -1 3 370.449 2.507 20 10 FFCDHM CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1cccc(O)c1[O-] ZINC000839787732 1026827647 /nfs/dbraw/zinc/82/76/47/1026827647.db2.gz RJICJWCSULTVFH-UHFFFAOYSA-N -1 3 359.382 2.770 20 10 FFCDHM Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1c([O-])cccc1F ZINC001156169995 1029073585 /nfs/dbraw/zinc/07/35/85/1029073585.db2.gz BBKPNVBKJWSQRC-UHFFFAOYSA-N -1 3 355.163 2.633 20 10 FFCDHM [O-]c1c(CNc2cncc(-n3cncn3)n2)cc(Cl)c2cccnc12 ZINC001157727071 1029652359 /nfs/dbraw/zinc/65/23/59/1029652359.db2.gz HEQRPMWWRUUWSZ-UHFFFAOYSA-N -1 3 353.773 2.577 20 10 FFCDHM O=C(Cn1cnc(NCc2c([O-])cccc2Cl)n1)NCc1ccccc1 ZINC000783635954 1030204781 /nfs/dbraw/zinc/20/47/81/1030204781.db2.gz HBNVKFSMKUGWBT-UHFFFAOYSA-N -1 3 371.828 2.566 20 10 FFCDHM [O-]c1c(F)cccc1CN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125498 1033802413 /nfs/dbraw/zinc/80/24/13/1033802413.db2.gz QPUCDPQAXVQIAG-NLWGTHIKSA-N -1 3 358.413 2.875 20 10 FFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H](C[N+](=O)[O-])C3CC3)cccc21 ZINC001226379285 1034658248 /nfs/dbraw/zinc/65/82/48/1034658248.db2.gz BALLHXCUJVEPBL-HNNXBMFYSA-N -1 3 353.330 2.602 20 10 FFCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001139682404 1035197122 /nfs/dbraw/zinc/19/71/22/1035197122.db2.gz YYVQMVJGAQMISW-LIRRHRJNSA-N -1 3 362.376 2.878 20 10 FFCDHM COC[C@H]1Cn2nccc2CN(Cc2c([O-])cccc2Br)C1 ZINC001140100813 1035341905 /nfs/dbraw/zinc/34/19/05/1035341905.db2.gz CWBXOFMQODRIFQ-GFCCVEGCSA-N -1 3 366.259 2.630 20 10 FFCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001140339312 1035443718 /nfs/dbraw/zinc/44/37/18/1035443718.db2.gz HURABGSGJIEJPT-IBGZPJMESA-N -1 3 374.872 2.707 20 10 FFCDHM O=S(=O)(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467601 1035486058 /nfs/dbraw/zinc/48/60/58/1035486058.db2.gz ZCMYZSLRJDLUPI-UHFFFAOYSA-N -1 3 366.870 2.552 20 10 FFCDHM [O-]c1cc(O)c(CN2CCc3onc(Cn4ccnc4)c3C2)cc1Cl ZINC001232257846 1035529230 /nfs/dbraw/zinc/52/92/30/1035529230.db2.gz KETKHBMZZUZNKI-UHFFFAOYSA-N -1 3 360.801 2.542 20 10 FFCDHM COC[C@H](C)Oc1cc(OC)cc2c1C(=O)c1c([O-])cc(C)cc1C2=O ZINC001227395363 1035533416 /nfs/dbraw/zinc/53/34/16/1035533416.db2.gz PKOCQIZEUGBBSQ-NSHDSACASA-N -1 3 356.374 2.898 20 10 FFCDHM CC(=O)N1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227938609 1035823154 /nfs/dbraw/zinc/82/31/54/1035823154.db2.gz XDMWQVGEJGTLIV-HNNXBMFYSA-N -1 3 355.390 2.719 20 10 FFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](O)[C@@H](C)C2)c1 ZINC001233306463 1036511246 /nfs/dbraw/zinc/51/12/46/1036511246.db2.gz REFDYFHXZXSKPJ-IINYFYTJSA-N -1 3 372.259 2.534 20 10 FFCDHM CC1=C(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C(=O)O[C@@H]1C ZINC001229192269 1036542826 /nfs/dbraw/zinc/54/28/26/1036542826.db2.gz JNVODCIGSKTWBF-SNVBAGLBSA-N -1 3 350.326 2.766 20 10 FFCDHM Cc1cc(O[C@@H]2CCOC[C@@H]2F)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543020 1036732670 /nfs/dbraw/zinc/73/26/70/1036732670.db2.gz UDICYFLVIJHDPN-DZGCQCFKSA-N -1 3 356.349 2.982 20 10 FFCDHM CC1=C[C@H](Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)CC(=O)O1 ZINC001234748575 1037164083 /nfs/dbraw/zinc/16/40/83/1037164083.db2.gz KSWLQACYZQISGK-JTQLQIEISA-N -1 3 370.313 2.661 20 10 FFCDHM CCCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749422 1037166424 /nfs/dbraw/zinc/16/64/24/1037166424.db2.gz SKGBOWADMRYBTI-VIFPVBQESA-N -1 3 374.345 2.784 20 10 FFCDHM CC(=O)[C@H](C)N1CC[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1=O ZINC001277507861 1037540937 /nfs/dbraw/zinc/54/09/37/1037540937.db2.gz RVMRKIRDDFHMON-BBATYDOGSA-N -1 3 368.836 2.587 20 10 FFCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447976 1037585683 /nfs/dbraw/zinc/58/56/83/1037585683.db2.gz ZKDXKPRRBXUKJG-CYBMUJFWSA-N -1 3 364.442 2.922 20 10 FFCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447976 1037585694 /nfs/dbraw/zinc/58/56/94/1037585694.db2.gz ZKDXKPRRBXUKJG-CYBMUJFWSA-N -1 3 364.442 2.922 20 10 FFCDHM O=C([O-])c1ccc(CN2CCN(c3noc4ccccc43)CC2)c(O)c1 ZINC001231446127 1037585720 /nfs/dbraw/zinc/58/57/20/1037585720.db2.gz DTXUHZUSOQFCAA-UHFFFAOYSA-N -1 3 353.378 2.554 20 10 FFCDHM COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453240 1037594821 /nfs/dbraw/zinc/59/48/21/1037594821.db2.gz JAFKJZIYPZLSJD-OAHLLOKOSA-N -1 3 358.394 2.537 20 10 FFCDHM COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453240 1037594830 /nfs/dbraw/zinc/59/48/30/1037594830.db2.gz JAFKJZIYPZLSJD-OAHLLOKOSA-N -1 3 358.394 2.537 20 10 FFCDHM [O-]c1c(CN2CCn3c(Br)nnc3C2)ccc2ccccc21 ZINC001231882197 1037975233 /nfs/dbraw/zinc/97/52/33/1037975233.db2.gz MWOWRNFUHKFERI-UHFFFAOYSA-N -1 3 359.227 2.915 20 10 FFCDHM CCOCCN1CC[C@@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278023163 1038330186 /nfs/dbraw/zinc/33/01/86/1038330186.db2.gz MQXFMEFVFIYGCQ-SFHVURJKSA-N -1 3 370.852 2.788 20 10 FFCDHM [O-]c1cc(F)c(Br)cc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236977810 1038392443 /nfs/dbraw/zinc/39/24/43/1038392443.db2.gz WVMNCPUJPAUSNE-LLVKDONJSA-N -1 3 357.145 2.630 20 10 FFCDHM CCCCN1CCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3[O-])CC2)C1=O ZINC001276648853 1038946178 /nfs/dbraw/zinc/94/61/78/1038946178.db2.gz GBEQVBVIUPFRMZ-UHFFFAOYSA-N -1 3 360.454 2.705 20 10 FFCDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001259324903 1039914054 /nfs/dbraw/zinc/91/40/54/1039914054.db2.gz AIAKKLWCMLYILT-UHFFFAOYSA-N -1 3 363.435 2.915 20 10 FFCDHM CN(C)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261071349 1040978243 /nfs/dbraw/zinc/97/82/43/1040978243.db2.gz ZEFOOGAICKRKGQ-UHFFFAOYSA-N -1 3 366.830 2.739 20 10 FFCDHM Cc1cc(CN2CC(N3CCC(F)(F)C3)C2)c([O-])cc1Br ZINC001250128339 1041124633 /nfs/dbraw/zinc/12/46/33/1041124633.db2.gz CKYPYDXOSRORCJ-UHFFFAOYSA-N -1 3 361.230 2.988 20 10 FFCDHM Cc1cc(CN2CCN(C(=O)C(C)C)CC2)c([O-])cc1Br ZINC001250136542 1041126679 /nfs/dbraw/zinc/12/66/79/1041126679.db2.gz TUMBAWLKJFOWOO-UHFFFAOYSA-N -1 3 355.276 2.763 20 10 FFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(CN(CCn3ccnc3)C2)C1 ZINC001278560468 1041165520 /nfs/dbraw/zinc/16/55/20/1041165520.db2.gz DDZGLDYQGFRTMZ-UHFFFAOYSA-N -1 3 367.280 2.713 20 10 FFCDHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001278606384 1041398392 /nfs/dbraw/zinc/39/83/92/1041398392.db2.gz YOIMQJHXEGRFKC-UHFFFAOYSA-N -1 3 353.413 2.686 20 10 FFCDHM CSc1nnnn1-c1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001215013932 1041645665 /nfs/dbraw/zinc/64/56/65/1041645665.db2.gz IYFVGHKTHNHXHJ-UHFFFAOYSA-N -1 3 374.401 2.551 20 10 FFCDHM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)cn2)n1 ZINC001215327490 1041739716 /nfs/dbraw/zinc/73/97/16/1041739716.db2.gz DDYJSQQOPGTYGQ-UHFFFAOYSA-N -1 3 365.349 2.718 20 10 FFCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001262926350 1041966865 /nfs/dbraw/zinc/96/68/65/1041966865.db2.gz BILCHSXTOKZCGN-CHWSQXEVSA-N -1 3 371.466 2.945 20 10 FFCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c([O-])c1 ZINC001279261621 1042971911 /nfs/dbraw/zinc/97/19/11/1042971911.db2.gz XNBRNKQWVKNLMV-UHFFFAOYSA-N -1 3 355.438 2.517 20 10 FFCDHM O=C([O-])c1ccc(C[N@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c([O-])c1 ZINC001279261621 1042971915 /nfs/dbraw/zinc/97/19/15/1042971915.db2.gz XNBRNKQWVKNLMV-UHFFFAOYSA-N -1 3 355.438 2.517 20 10 FFCDHM CCn1ccnc1CN1CCC2(CN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001279490505 1043176601 /nfs/dbraw/zinc/17/66/01/1043176601.db2.gz QSKFLRSDMBBOIM-UHFFFAOYSA-N -1 3 362.424 2.595 20 10 FFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001237620087 1043277408 /nfs/dbraw/zinc/27/74/08/1043277408.db2.gz SQYVIWNFAXGJEH-QGZVFWFLSA-N -1 3 364.848 2.863 20 10 FFCDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(Br)c(C)cc1[O-] ZINC001237681919 1043308626 /nfs/dbraw/zinc/30/86/26/1043308626.db2.gz UJEOLBACDJPLSR-WBMJQRKESA-N -1 3 354.244 2.991 20 10 FFCDHM O=C(NCCc1ccccn1)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001279981528 1044028702 /nfs/dbraw/zinc/02/87/02/1044028702.db2.gz CBWLPYJEZMQRHK-MGPUTAFESA-N -1 3 371.868 2.764 20 10 FFCDHM C[C@@H]1CN(C(=O)[C@H]2CC23CN(Cc2cc(Cl)ccc2[O-])C3)C[C@H](C)O1 ZINC001279983154 1044033281 /nfs/dbraw/zinc/03/32/81/1044033281.db2.gz FEOJQPILEOOKOZ-DVOMOZLQSA-N -1 3 364.873 2.503 20 10 FFCDHM CC(C)(C)C[C@H](NC(=O)C(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001340192952 1050601417 /nfs/dbraw/zinc/60/14/17/1050601417.db2.gz JBYWGWDEXMUGOM-LBPRGKRZSA-N -1 3 364.339 2.631 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H](COC)C1 ZINC001340986523 1051322158 /nfs/dbraw/zinc/32/21/58/1051322158.db2.gz MIKHGIXWAILPIC-NSHDSACASA-N -1 3 359.455 2.753 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)[C@H]1CC[C@H]1OC ZINC001340987858 1051323562 /nfs/dbraw/zinc/32/35/62/1051323562.db2.gz XHEZBYLXRAVRRY-NWDGAFQWSA-N -1 3 359.455 2.894 20 10 FFCDHM Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1c([O-])cccc1F ZINC001303876052 1051463596 /nfs/dbraw/zinc/46/35/96/1051463596.db2.gz TUMJMRINJBLJFO-UHFFFAOYSA-N -1 3 364.377 2.542 20 10 FFCDHM O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1c([O-])cccc1F ZINC001347333070 1053855537 /nfs/dbraw/zinc/85/55/37/1053855537.db2.gz IADUOQCKKMHLRC-UHFFFAOYSA-N -1 3 357.307 2.552 20 10 FFCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2c[n-]oc2=O)n1C ZINC001350950779 1056014246 /nfs/dbraw/zinc/01/42/46/1056014246.db2.gz JOMZTTZXTMZTMJ-UHFFFAOYSA-N -1 3 368.441 2.802 20 10 FFCDHM O=C(N[C@H]1COc2cccc(Br)c2C1)c1cccc(O)c1[O-] ZINC001455113291 1059698310 /nfs/dbraw/zinc/69/83/10/1059698310.db2.gz NLDGECRBVZWPKC-SECBINFHSA-N -1 3 364.195 2.594 20 10 FFCDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1c([O-])cccc1F ZINC001456031645 1059990015 /nfs/dbraw/zinc/99/00/15/1059990015.db2.gz YTSCEBBPRMXUEC-UHFFFAOYSA-N -1 3 352.312 2.898 20 10 FFCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@]2(CCOC2)C1 ZINC001521587786 1060993774 /nfs/dbraw/zinc/99/37/74/1060993774.db2.gz LWRPBGACYQIXLD-SFHVURJKSA-N -1 3 371.466 2.897 20 10 FFCDHM Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c1 ZINC001465650776 1063169815 /nfs/dbraw/zinc/16/98/15/1063169815.db2.gz SYSTUISZTVHCKS-UHFFFAOYSA-N -1 3 366.377 2.669 20 10 FFCDHM COc1ccc(-c2noc(CCC(=O)NCc3c([O-])cccc3F)n2)cc1 ZINC001471975243 1064876379 /nfs/dbraw/zinc/87/63/79/1064876379.db2.gz VQQVBBHDGORPCL-UHFFFAOYSA-N -1 3 371.368 2.839 20 10 FFCDHM C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963334 1080906429 /nfs/dbraw/zinc/90/64/29/1080906429.db2.gz WHKQUMLNWXHJRX-KWBADKCTSA-N -1 3 371.363 2.723 20 10 FFCDHM COc1ccc(CCNC(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000112583734 508199263 /nfs/dbraw/zinc/19/92/63/508199263.db2.gz WTTCMAPRTDDVMM-HNNXBMFYSA-N -1 3 372.465 2.589 20 10 FFCDHM O=C(Cc1cccnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134260747 508514450 /nfs/dbraw/zinc/51/44/50/508514450.db2.gz HMORGLQMLQONLQ-KRWDZBQOSA-N -1 3 359.857 2.764 20 10 FFCDHM Cc1cc(Br)cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000179710538 509584958 /nfs/dbraw/zinc/58/49/58/509584958.db2.gz OZVFGGXEUKIJHS-AWEZNQCLSA-N -1 3 374.300 2.615 20 10 FFCDHM COc1cc(Br)cc(CN2CCOC3(CCOCC3)C2)c1[O-] ZINC000180525752 509965486 /nfs/dbraw/zinc/96/54/86/509965486.db2.gz RZHWEKHSEVKLHR-UHFFFAOYSA-N -1 3 372.259 2.545 20 10 FFCDHM COc1cc(Cl)cc(CN2CCN(C(=O)c3ccco3)CC2)c1[O-] ZINC000184672232 510453113 /nfs/dbraw/zinc/45/31/13/510453113.db2.gz YIHLCLWESRQSLW-UHFFFAOYSA-N -1 3 350.802 2.605 20 10 FFCDHM CC(=O)c1cc(F)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000181805005 510603505 /nfs/dbraw/zinc/60/35/05/510603505.db2.gz MALYUNXLBPHFOR-QGZVFWFLSA-N -1 3 365.426 2.609 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc(C)cn1 ZINC000175843085 510819589 /nfs/dbraw/zinc/81/95/89/510819589.db2.gz BGONRHJIVNZCFB-UHFFFAOYSA-N -1 3 350.216 2.915 20 10 FFCDHM COc1c([O-])c(CN[C@@H]2COc3cc(F)cc(F)c32)ccc1[N+](=O)[O-] ZINC000364469707 510883423 /nfs/dbraw/zinc/88/34/23/510883423.db2.gz YSDOEOQTMSRXKR-LLVKDONJSA-N -1 3 352.293 2.811 20 10 FFCDHM CC1(C)C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277256867 510958050 /nfs/dbraw/zinc/95/80/50/510958050.db2.gz IKPWHRWAKJLYOC-ZDUSSCGKSA-N -1 3 352.818 2.767 20 10 FFCDHM CCCCN(Cc1nnnn1CC1CCOCC1)Cc1ccccc1[O-] ZINC000282392551 510958314 /nfs/dbraw/zinc/95/83/14/510958314.db2.gz HAOQTKKJNYPAKS-UHFFFAOYSA-N -1 3 359.474 2.608 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCOC2(CCC2)C1 ZINC000277874102 510974876 /nfs/dbraw/zinc/97/48/76/510974876.db2.gz FYMJZDRMFQHJBH-CQSZACIVSA-N -1 3 364.829 2.912 20 10 FFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1CCSCC1 ZINC000278116846 510981785 /nfs/dbraw/zinc/98/17/85/510981785.db2.gz ZVOLLJHMJPQFHQ-UHFFFAOYSA-N -1 3 354.859 2.953 20 10 FFCDHM COc1c([O-])c(CNCC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000278517348 510995588 /nfs/dbraw/zinc/99/55/88/510995588.db2.gz RFMHDAKPSLPMDH-UHFFFAOYSA-N -1 3 359.382 2.654 20 10 FFCDHM COc1c([O-])c(CN2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886424 511012292 /nfs/dbraw/zinc/01/22/92/511012292.db2.gz OZNOXZKRQUNOCZ-HIFRSBDPSA-N -1 3 362.382 2.990 20 10 FFCDHM C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850177 511015215 /nfs/dbraw/zinc/01/52/15/511015215.db2.gz ZCPFPAWGUKRPPT-JOYOIKCWSA-N -1 3 354.319 2.584 20 10 FFCDHM CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(Br)cc1[O-] ZINC000290249380 511132547 /nfs/dbraw/zinc/13/25/47/511132547.db2.gz JTOZRVSRNBPKKM-SNVBAGLBSA-N -1 3 350.278 2.629 20 10 FFCDHM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC000271273535 511145977 /nfs/dbraw/zinc/14/59/77/511145977.db2.gz MKJBMEWOCOGSSV-UHFFFAOYSA-N -1 3 355.394 2.751 20 10 FFCDHM Cc1ccc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1O ZINC000271304265 511157052 /nfs/dbraw/zinc/15/70/52/511157052.db2.gz UADURFVIZWZDGO-UHFFFAOYSA-N -1 3 364.442 2.878 20 10 FFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367247 511523508 /nfs/dbraw/zinc/52/35/08/511523508.db2.gz FHUUHHHAVJSTAY-KGLIPLIRSA-N -1 3 356.422 2.534 20 10 FFCDHM CCNC(=O)COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273394988 511525093 /nfs/dbraw/zinc/52/50/93/511525093.db2.gz LSGCOJJBQZABNZ-ZDUSSCGKSA-N -1 3 373.409 2.666 20 10 FFCDHM CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273424184 511526494 /nfs/dbraw/zinc/52/64/94/511526494.db2.gz SZLISKBIEIRMSE-NSHDSACASA-N -1 3 354.859 2.805 20 10 FFCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273484375 511528912 /nfs/dbraw/zinc/52/89/12/511528912.db2.gz MZAZLOCDKNUHHP-LBPRGKRZSA-N -1 3 364.423 2.945 20 10 FFCDHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1O ZINC000293017980 511809560 /nfs/dbraw/zinc/80/95/60/511809560.db2.gz OMHFFQONFYKNSL-AAEUAGOBSA-N -1 3 350.415 2.534 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1nn(CC)nc1C ZINC000293351521 511933943 /nfs/dbraw/zinc/93/39/43/511933943.db2.gz KWIWXMBYTOTSIV-UHFFFAOYSA-N -1 3 367.247 2.737 20 10 FFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1C[C@]12CCOC2 ZINC000364094970 511956440 /nfs/dbraw/zinc/95/64/40/511956440.db2.gz HQJJJBAUMBUFCQ-CJNGLKHVSA-N -1 3 354.244 2.930 20 10 FFCDHM CN(C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1)C(=O)OC(C)(C)C ZINC000274904245 511983491 /nfs/dbraw/zinc/98/34/91/511983491.db2.gz QVPYOWQUNPJHPT-ZDUSSCGKSA-N -1 3 364.442 2.817 20 10 FFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000371518765 512444816 /nfs/dbraw/zinc/44/48/16/512444816.db2.gz SIRTWCNUIZWYMS-UHFFFAOYSA-N -1 3 366.483 2.950 20 10 FFCDHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000368079158 512792789 /nfs/dbraw/zinc/79/27/89/512792789.db2.gz NZKMBBIIRAKEFR-INIZCTEOSA-N -1 3 370.405 2.658 20 10 FFCDHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(N2CC=CC2)cc1 ZINC000737557205 598973659 /nfs/dbraw/zinc/97/36/59/598973659.db2.gz DEAJYDUKKOSORK-UHFFFAOYSA-N -1 3 353.817 2.903 20 10 FFCDHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(N2CC=CC2)cc1 ZINC000737557205 598973660 /nfs/dbraw/zinc/97/36/60/598973660.db2.gz DEAJYDUKKOSORK-UHFFFAOYSA-N -1 3 353.817 2.903 20 10 FFCDHM C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736132249 598274791 /nfs/dbraw/zinc/27/47/91/598274791.db2.gz ARVRWSFYYWDBDC-VIFPVBQESA-N -1 3 374.788 2.985 20 10 FFCDHM C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736132249 598274793 /nfs/dbraw/zinc/27/47/93/598274793.db2.gz ARVRWSFYYWDBDC-VIFPVBQESA-N -1 3 374.788 2.985 20 10 FFCDHM COc1cc(O)c(CN2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1OC ZINC000833887563 605498971 /nfs/dbraw/zinc/49/89/71/605498971.db2.gz HSFPOYHUUAVSRU-UHFFFAOYSA-N -1 3 364.442 2.764 20 10 FFCDHM Cc1cc(Br)cc(C[N@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c1[O-] ZINC000833897412 605996071 /nfs/dbraw/zinc/99/60/71/605996071.db2.gz KEBLQMWGUXJOOI-WDEREUQCSA-N -1 3 357.248 2.941 20 10 FFCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c1[O-] ZINC000833897412 605996072 /nfs/dbraw/zinc/99/60/72/605996072.db2.gz KEBLQMWGUXJOOI-WDEREUQCSA-N -1 3 357.248 2.941 20 10 FFCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1cccnc1 ZINC000823504469 606304412 /nfs/dbraw/zinc/30/44/12/606304412.db2.gz QNLQMZRWCPDXQI-WZUFQYTHSA-N -1 3 372.460 2.729 20 10 FFCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1c1cccnc1 ZINC000823504469 606304413 /nfs/dbraw/zinc/30/44/13/606304413.db2.gz QNLQMZRWCPDXQI-WZUFQYTHSA-N -1 3 372.460 2.729 20 10 FFCDHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCC)c(O)c1 ZINC000825639499 609478270 /nfs/dbraw/zinc/47/82/70/609478270.db2.gz YHLQJFJSCZMMTP-UHFFFAOYSA-N -1 3 355.398 2.982 20 10 FFCDHM