smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)cc1C ZINC000543023982 1125457230 /nfs/dbraw/zinc/45/72/30/1125457230.db2.gz UMHKTDWDWRQZKE-UHFFFAOYSA-N -1 1 367.854 4.051 20 0 FIADMM CCCC1CCC(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000619365006 1125575169 /nfs/dbraw/zinc/57/51/69/1125575169.db2.gz ONCYEXJJCHKBFV-UHFFFAOYSA-N -1 1 372.509 4.355 20 0 FIADMM COC(=O)c1cc(Br)c([O-])c(Nc2coc3ccccc23)c1 ZINC001203152498 1079619922 /nfs/dbraw/zinc/61/99/22/1079619922.db2.gz SIMMYZRRAKLBIU-UHFFFAOYSA-N -1 1 362.179 4.431 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc(Cl)c1[O-] ZINC000186818504 1079676051 /nfs/dbraw/zinc/67/60/51/1079676051.db2.gz VXIHBAFXGHFNHD-YVEFUNNKSA-N -1 1 369.889 4.015 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)co1 ZINC000510075449 1079793673 /nfs/dbraw/zinc/79/36/73/1079793673.db2.gz ZHVUUCDQWCPXCL-UHFFFAOYSA-N -1 1 360.464 4.120 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c(C)s1 ZINC000032532540 1079924614 /nfs/dbraw/zinc/92/46/14/1079924614.db2.gz KKHQKJQJYLRJNJ-UHFFFAOYSA-N -1 1 365.476 4.207 20 0 FIADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000261417774 1079951098 /nfs/dbraw/zinc/95/10/98/1079951098.db2.gz YJTWYQFAEAYNKZ-UHFFFAOYSA-N -1 1 372.412 4.079 20 0 FIADMM Cc1ccc(O)c(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)n1 ZINC000430221847 1080017891 /nfs/dbraw/zinc/01/78/91/1080017891.db2.gz UMQYIKYOTMTWQT-UGSOOPFHSA-N -1 1 366.383 4.076 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(-c2ccccc2)no1 ZINC000126965476 1080044528 /nfs/dbraw/zinc/04/45/28/1080044528.db2.gz SUEHJFGBGFOLLA-MRVPVSSYSA-N -1 1 368.340 4.104 20 0 FIADMM CC(C)(C)c1ccccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000153650310 1080705327 /nfs/dbraw/zinc/70/53/27/1080705327.db2.gz HFSRRTVNVRZOSG-UHFFFAOYSA-N -1 1 365.473 4.425 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(C2CC2)cc1Cl ZINC000655603275 1081019084 /nfs/dbraw/zinc/01/90/84/1081019084.db2.gz VDFZIOXVEYIUTA-UHFFFAOYSA-N -1 1 351.855 4.335 20 0 FIADMM CCOc1cc(-c2noc(-c3ccn(C4CCCC4)n3)n2)cc(Cl)c1[O-] ZINC000683589462 1081174080 /nfs/dbraw/zinc/17/40/80/1081174080.db2.gz UAGJHODVCGSOML-UHFFFAOYSA-N -1 1 374.828 4.473 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC[C@@H]2CC=CCC2)c([O-])c1 ZINC001648820619 1081247430 /nfs/dbraw/zinc/24/74/30/1081247430.db2.gz CQPSIHHAIIPRBR-CQSZACIVSA-N -1 1 360.454 4.215 20 0 FIADMM CCOc1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(C(=O)OC)n1 ZINC001210928043 1081856934 /nfs/dbraw/zinc/85/69/34/1081856934.db2.gz YGKBOZOJGJJSGN-UHFFFAOYSA-N -1 1 357.193 4.023 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1 ZINC000064938332 1081940135 /nfs/dbraw/zinc/94/01/35/1081940135.db2.gz WUBROHQYKGDRPJ-UHFFFAOYSA-N -1 1 359.491 4.367 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001211066346 1081944925 /nfs/dbraw/zinc/94/49/25/1081944925.db2.gz YMYXTTMJLACEIT-UHFFFAOYSA-N -1 1 363.291 4.098 20 0 FIADMM CC(=Cc1ccc([O-])c(Br)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000255661450 1082064723 /nfs/dbraw/zinc/06/47/23/1082064723.db2.gz MDSCLBHJWPALHX-SOFGYWHQSA-N -1 1 363.236 4.426 20 0 FIADMM Cc1onc(CN2CCc3ccccc3[C@H]2Cc2ccccc2)c1C(=O)[O-] ZINC000580838836 1082182216 /nfs/dbraw/zinc/18/22/16/1082182216.db2.gz SXPCYBMGCSQILB-HXUWFJFHSA-N -1 1 362.429 4.023 20 0 FIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1C ZINC000055674120 1082214492 /nfs/dbraw/zinc/21/44/92/1082214492.db2.gz GNJBMXAMPCUMOJ-UHFFFAOYSA-N -1 1 366.870 4.024 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1ncoc1CCC(F)(F)F ZINC001266672840 1082291551 /nfs/dbraw/zinc/29/15/51/1082291551.db2.gz OWHPSIIEDDZTAL-UHFFFAOYSA-N -1 1 374.369 4.002 20 0 FIADMM O=C([N-][C@@H]1CCCOc2cc(F)ccc21)C(F)(F)c1cc(F)cc(F)c1 ZINC001266739479 1082599944 /nfs/dbraw/zinc/59/99/44/1082599944.db2.gz YSBFLSGXCTUNJJ-OAHLLOKOSA-N -1 1 371.305 4.226 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)cc2F)[C@@H]2CCCC[C@@H]12 ZINC000656763780 1082757054 /nfs/dbraw/zinc/75/70/54/1082757054.db2.gz HYNWAAHTVUNTJJ-SQWLQELKSA-N -1 1 370.262 4.054 20 0 FIADMM CCc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)[n-]c(=O)c1C ZINC000581678015 1082793332 /nfs/dbraw/zinc/79/33/32/1082793332.db2.gz XEGIJPONSSKKKJ-UHFFFAOYSA-N -1 1 372.277 4.091 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1C ZINC000581688101 1082805315 /nfs/dbraw/zinc/80/53/15/1082805315.db2.gz KMZNNOZBSPCNIW-UHFFFAOYSA-N -1 1 373.396 4.440 20 0 FIADMM CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(Cl)cccc2C(=O)[O-])C1(CC)CC ZINC000564462065 1082952410 /nfs/dbraw/zinc/95/24/10/1082952410.db2.gz MGDJNLJJSHYMFE-DLBZAZTESA-N -1 1 353.890 4.454 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000015805342 1083193412 /nfs/dbraw/zinc/19/34/12/1083193412.db2.gz WCBSYAFNOBHCAQ-ZDUSSCGKSA-N -1 1 359.495 4.377 20 0 FIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)no1 ZINC000430978962 1083282381 /nfs/dbraw/zinc/28/23/81/1083282381.db2.gz MIJSRXCDLVRESU-UHFFFAOYSA-N -1 1 363.266 4.221 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)s1 ZINC000431161920 1083360575 /nfs/dbraw/zinc/36/05/75/1083360575.db2.gz PUXCLJOKJPBHCL-UHFFFAOYSA-N -1 1 369.361 4.045 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccccc1OC(F)(F)F ZINC000023394003 1083412895 /nfs/dbraw/zinc/41/28/95/1083412895.db2.gz XDSVGGLOKFUMHC-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000684577732 1083473437 /nfs/dbraw/zinc/47/34/37/1083473437.db2.gz RSNRQHWFAXJVSZ-NWDGAFQWSA-N -1 1 355.287 4.172 20 0 FIADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000431641490 1083644121 /nfs/dbraw/zinc/64/41/21/1083644121.db2.gz VTPCOZAJZWERMA-LLVKDONJSA-N -1 1 371.352 4.052 20 0 FIADMM CN(Cc1ccc(F)cc1F)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548926768 1083767506 /nfs/dbraw/zinc/76/75/06/1083767506.db2.gz BYAIFYFNLJHCLT-UHFFFAOYSA-N -1 1 362.763 4.144 20 0 FIADMM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)cc2nc[nH]c21 ZINC000584480844 1083797775 /nfs/dbraw/zinc/79/77/75/1083797775.db2.gz QFNRJNFQEADQTE-AWEZNQCLSA-N -1 1 370.380 4.015 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1 ZINC000132148354 1083838932 /nfs/dbraw/zinc/83/89/32/1083838932.db2.gz PRALWQPRTOQTFZ-UHFFFAOYSA-N -1 1 369.446 4.193 20 0 FIADMM CC(C)n1c(CCNC(=O)c2sccc2-c2ccccc2)n[n-]c1=S ZINC000097552731 1083953662 /nfs/dbraw/zinc/95/36/62/1083953662.db2.gz DBJXUDBKHUUXEV-UHFFFAOYSA-N -1 1 372.519 4.223 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413963412 1084193148 /nfs/dbraw/zinc/19/31/48/1084193148.db2.gz ZCTBRLSAXGRMNH-GOSISDBHSA-N -1 1 357.837 4.040 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)cc(Cl)c1[O-] ZINC000413987963 1084230391 /nfs/dbraw/zinc/23/03/91/1084230391.db2.gz NLFVWOWFRHJTFH-MRXNPFEDSA-N -1 1 371.864 4.464 20 0 FIADMM C[C@H](CCCC(=O)[O-])NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000277342411 1084293189 /nfs/dbraw/zinc/29/31/89/1084293189.db2.gz OYTIVFAQDFEDJN-GFCCVEGCSA-N -1 1 368.886 4.109 20 0 FIADMM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21 ZINC000613177892 1084426849 /nfs/dbraw/zinc/42/68/49/1084426849.db2.gz SQUFDIGMFMDUBD-UHFFFAOYSA-N -1 1 354.406 4.271 20 0 FIADMM CCC(CC)N(CC(C)C)C(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000178017014 1084573108 /nfs/dbraw/zinc/57/31/08/1084573108.db2.gz ZUADVZAGWIDOJC-UHFFFAOYSA-N -1 1 366.556 4.342 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 ZINC000072043241 1084609814 /nfs/dbraw/zinc/60/98/14/1084609814.db2.gz MFRJCOWJKATJRH-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(CSC(F)F)o2)c1 ZINC000277498253 1084718577 /nfs/dbraw/zinc/71/85/77/1084718577.db2.gz XMGUGOJKAPXQII-OAHLLOKOSA-N -1 1 371.405 4.050 20 0 FIADMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174699924 1084814520 /nfs/dbraw/zinc/81/45/20/1084814520.db2.gz BRRLOLPGZUNKOM-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM CC(C)n1c(CNC(=O)Cc2ccc(-c3ccccc3)cc2)n[n-]c1=S ZINC000066639215 1084835983 /nfs/dbraw/zinc/83/59/83/1084835983.db2.gz MXDCPLBWDDMLGW-UHFFFAOYSA-N -1 1 366.490 4.047 20 0 FIADMM Cc1oc(-c2ccccc2)nc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000582366083 1084911019 /nfs/dbraw/zinc/91/10/19/1084911019.db2.gz YZKRTICNFQQJME-INIZCTEOSA-N -1 1 364.445 4.373 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1 ZINC000158295523 1084993451 /nfs/dbraw/zinc/99/34/51/1084993451.db2.gz QNEFSIGIDSWBLK-UHFFFAOYSA-N -1 1 373.474 4.149 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000684870429 1084999579 /nfs/dbraw/zinc/99/95/79/1084999579.db2.gz ADMHCMFCCZDYAI-UHFFFAOYSA-N -1 1 360.335 4.091 20 0 FIADMM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870816 1085000225 /nfs/dbraw/zinc/00/02/25/1085000225.db2.gz RJMFQVWTCAXSIF-UHFFFAOYSA-N -1 1 364.323 4.012 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](c2ccccc2)CO1 ZINC000684875745 1085012687 /nfs/dbraw/zinc/01/26/87/1085012687.db2.gz LEKUPGHDDDALCJ-LRDDRELGSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(Nc1ccccc1OCC1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875511 1085016023 /nfs/dbraw/zinc/01/60/23/1085016023.db2.gz HZUUNAZMRNOXBY-UHFFFAOYSA-N -1 1 351.324 4.452 20 0 FIADMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877264 1085019760 /nfs/dbraw/zinc/01/97/60/1085019760.db2.gz NGPVXLRZQUWSDM-CYBMUJFWSA-N -1 1 357.372 4.023 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000684877633 1085021133 /nfs/dbraw/zinc/02/11/33/1085021133.db2.gz SMHWWIUDTFPEJQ-UHFFFAOYSA-N -1 1 365.351 4.169 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1Cl ZINC000511149838 1085095084 /nfs/dbraw/zinc/09/50/84/1085095084.db2.gz JYJHVSJUQRTXRQ-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1C ZINC000780376565 1085209301 /nfs/dbraw/zinc/20/93/01/1085209301.db2.gz DWAHSCNZCDZRKJ-UHFFFAOYSA-N -1 1 368.405 4.000 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000511200135 1085757473 /nfs/dbraw/zinc/75/74/73/1085757473.db2.gz BJBJKGWEBWCNEY-UHFFFAOYSA-N -1 1 373.503 4.204 20 0 FIADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000511205634 1085814020 /nfs/dbraw/zinc/81/40/20/1085814020.db2.gz YGPZKZPGSZHULK-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000182267765 1085904059 /nfs/dbraw/zinc/90/40/59/1085904059.db2.gz OPUQOLINFROFQI-UHFFFAOYSA-N -1 1 368.458 4.161 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1F ZINC000048655489 1085912874 /nfs/dbraw/zinc/91/28/74/1085912874.db2.gz DXIGUVSRYWYROX-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCC[C@@H](CC1CCCCC1)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000511903783 1085931009 /nfs/dbraw/zinc/93/10/09/1085931009.db2.gz CVFRMVFSEPIYHZ-KRWDZBQOSA-N -1 1 372.513 4.055 20 0 FIADMM O=C([O-])c1cccc(Br)c1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000652428489 1086032600 /nfs/dbraw/zinc/03/26/00/1086032600.db2.gz PHECTLWJNPJYBF-HUUCEWRRSA-N -1 1 370.312 4.007 20 0 FIADMM Cc1sc(C(=O)[O-])cc1C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000652445176 1086059798 /nfs/dbraw/zinc/05/97/98/1086059798.db2.gz ITCOOCYKZNLODN-UHFFFAOYSA-N -1 1 373.396 4.284 20 0 FIADMM C[C@@H](CN(Cc1nc(-c2ccccc2Cl)cs1)C1CC1)C(=O)[O-] ZINC000652488749 1086121128 /nfs/dbraw/zinc/12/11/28/1086121128.db2.gz HQHZPRXLKREZCO-NSHDSACASA-N -1 1 350.871 4.149 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2c(Cl)nccc2C(F)(F)F)s1 ZINC000123599541 1086270801 /nfs/dbraw/zinc/27/08/01/1086270801.db2.gz GPFMNPLYNGVVRA-UHFFFAOYSA-N -1 1 364.780 4.155 20 0 FIADMM Cc1ccc(C)c(OC2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000583146486 1086292384 /nfs/dbraw/zinc/29/23/84/1086292384.db2.gz ADZBXTYACDSTBE-UHFFFAOYSA-N -1 1 357.425 4.184 20 0 FIADMM Cc1ccc(C)c(SCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000549585235 1086312214 /nfs/dbraw/zinc/31/22/14/1086312214.db2.gz SCSYTGWTVVIFSX-UHFFFAOYSA-N -1 1 353.447 4.130 20 0 FIADMM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000184754289 1086359958 /nfs/dbraw/zinc/35/99/58/1086359958.db2.gz FJPDBKHEEIRDHJ-ABAIWWIYSA-N -1 1 350.340 4.029 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1C(C)C ZINC000663298632 1086386658 /nfs/dbraw/zinc/38/66/58/1086386658.db2.gz XWHPYHPAEJTCRK-UHFFFAOYSA-N -1 1 362.495 4.411 20 0 FIADMM O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000583197291 1086386760 /nfs/dbraw/zinc/38/67/60/1086386760.db2.gz UMCJDKHAVZKKPY-UHFFFAOYSA-N -1 1 350.161 4.001 20 0 FIADMM Cc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)nn1C(C)C ZINC000563624830 1086541041 /nfs/dbraw/zinc/54/10/41/1086541041.db2.gz ITXXXUUPKNABBF-UHFFFAOYSA-N -1 1 372.650 4.146 20 0 FIADMM CCc1ccc(-c2nc(CC(=O)Nc3c([O-])cccc3F)cs2)cc1 ZINC000092551627 1086569628 /nfs/dbraw/zinc/56/96/28/1086569628.db2.gz XVIDFJXZVHUHGX-UHFFFAOYSA-N -1 1 356.422 4.398 20 0 FIADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)n1 ZINC000585682760 1086613493 /nfs/dbraw/zinc/61/34/93/1086613493.db2.gz ZCPASPUIMZGCOY-UHFFFAOYSA-N -1 1 373.409 4.015 20 0 FIADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000467761640 1086648789 /nfs/dbraw/zinc/64/87/89/1086648789.db2.gz BOZOKIYXPOSKMR-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM C[C@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000392980563 1086787967 /nfs/dbraw/zinc/78/79/67/1086787967.db2.gz WUFYBDWYYXUBSX-ZANVPECISA-N -1 1 369.305 4.267 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC([C@H]2CCCO2)CC1 ZINC000584356244 1087279698 /nfs/dbraw/zinc/27/96/98/1087279698.db2.gz FJRJFMHQFWWKEC-HZPDHXFCSA-N -1 1 358.265 4.010 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCCc4ccc(F)cc43)nc2)[n-]c(=O)c1C ZINC000092976540 1087450314 /nfs/dbraw/zinc/45/03/14/1087450314.db2.gz LXCKSIAJIOGKGG-SFHVURJKSA-N -1 1 364.424 4.077 20 0 FIADMM Cc1cc(Cl)ccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000039548982 1087504150 /nfs/dbraw/zinc/50/41/50/1087504150.db2.gz OJHCDMNIWDHEFS-UHFFFAOYSA-N -1 1 364.883 4.270 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000198881999 1087514160 /nfs/dbraw/zinc/51/41/60/1087514160.db2.gz MPOPHHNVWDUDEH-UHFFFAOYSA-N -1 1 367.489 4.030 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccc(F)c(Cl)c1 ZINC000612054808 1087715473 /nfs/dbraw/zinc/71/54/73/1087715473.db2.gz SBIMLJPFELZDCS-UHFFFAOYSA-N -1 1 368.842 4.403 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2COC)cc1 ZINC000424087847 1087758030 /nfs/dbraw/zinc/75/80/30/1087758030.db2.gz SCRVFUYGXASNHD-UHFFFAOYSA-N -1 1 369.870 4.076 20 0 FIADMM CCOc1cc(C(=O)N(CC)Cc2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000186572586 1087926572 /nfs/dbraw/zinc/92/65/72/1087926572.db2.gz VTYKRNPECMRADX-UHFFFAOYSA-N -1 1 363.841 4.115 20 0 FIADMM COc1cc(-c2noc([C@H]3CCC[C@H](F)C3)n2)cc(Br)c1[O-] ZINC000424358990 1087944067 /nfs/dbraw/zinc/94/40/67/1087944067.db2.gz PNTDCZGTRYFPPP-WPRPVWTQSA-N -1 1 371.206 4.209 20 0 FIADMM C[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H]1C(=O)[O-] ZINC000424419392 1087971301 /nfs/dbraw/zinc/97/13/01/1087971301.db2.gz OSYNYNRLMYAFTD-NHYWBVRUSA-N -1 1 350.871 4.149 20 0 FIADMM CCOc1cc(C(=O)NCc2cc(C(CC)CC)no2)cc(Cl)c1[O-] ZINC000186834338 1088004966 /nfs/dbraw/zinc/00/49/66/1088004966.db2.gz MDZWYTYPXMKTOH-UHFFFAOYSA-N -1 1 366.845 4.266 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)cc(Cl)c1[O-] ZINC000186840512 1088005373 /nfs/dbraw/zinc/00/53/73/1088005373.db2.gz LWBCCXTVQALOBS-OLZOCXBDSA-N -1 1 357.903 4.191 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)n1 ZINC000505310245 1088344026 /nfs/dbraw/zinc/34/40/26/1088344026.db2.gz FGERBKDGXZEKHN-MRXNPFEDSA-N -1 1 363.458 4.029 20 0 FIADMM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181959325 1088875471 /nfs/dbraw/zinc/87/54/71/1088875471.db2.gz UQARWHCLWIFHKU-UHFFFAOYSA-N -1 1 370.405 4.026 20 0 FIADMM COc1ccc(-c2nc(CSc3nc(C4CC4)cc(=O)[n-]3)co2)cc1 ZINC000188129779 1088904871 /nfs/dbraw/zinc/90/48/71/1088904871.db2.gz KXQJUEXNYBXNSJ-UHFFFAOYSA-N -1 1 355.419 4.016 20 0 FIADMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613666717 1089258670 /nfs/dbraw/zinc/25/86/70/1089258670.db2.gz DRCONBPDXPXODQ-UHFFFAOYSA-N -1 1 365.433 4.097 20 0 FIADMM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668271 1089271817 /nfs/dbraw/zinc/27/18/17/1089271817.db2.gz BSKSWUOIISOPND-UHFFFAOYSA-N -1 1 371.824 4.233 20 0 FIADMM Cc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2)ccc1-c1ccccc1 ZINC000514639186 1089296257 /nfs/dbraw/zinc/29/62/57/1089296257.db2.gz SYCMAJVGSTWYLD-UHFFFAOYSA-N -1 1 356.422 4.138 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(C)c1C ZINC000515087337 1089765828 /nfs/dbraw/zinc/76/58/28/1089765828.db2.gz KOMCCUDCARJIDI-UHFFFAOYSA-N -1 1 353.871 4.383 20 0 FIADMM COc1ccc(-c2ncc(C(=O)Nc3cc([O-])c(F)cc3F)s2)cc1 ZINC001625894437 1090074532 /nfs/dbraw/zinc/07/45/32/1090074532.db2.gz XNJOWPNSFSFLDY-UHFFFAOYSA-N -1 1 362.357 4.055 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1nccs1 ZINC000187998347 1090133046 /nfs/dbraw/zinc/13/30/46/1090133046.db2.gz COXZQXDKOZLYEV-MRVPVSSYSA-N -1 1 369.270 4.019 20 0 FIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(OC)cccc2SC)s1 ZINC000416126667 1090207870 /nfs/dbraw/zinc/20/78/70/1090207870.db2.gz YHZKGMWDTVSEFQ-SNVBAGLBSA-N -1 1 352.481 4.223 20 0 FIADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000228315514 1090331677 /nfs/dbraw/zinc/33/16/77/1090331677.db2.gz XEQKMCPMTVKIFR-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM O=C(Nc1cc([O-])c(F)cc1F)c1csc(NC2CCCCC2)n1 ZINC001625896016 1090543333 /nfs/dbraw/zinc/54/33/33/1090543333.db2.gz CVVJJWQZGHIGOI-UHFFFAOYSA-N -1 1 353.394 4.124 20 0 FIADMM COc1cccc([O-])c1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001167744219 1090912817 /nfs/dbraw/zinc/91/28/17/1090912817.db2.gz AWKOGYULBGMNDK-UHFFFAOYSA-N -1 1 372.421 4.309 20 0 FIADMM CCCOc1c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cccc1OCC ZINC000417623746 1090942748 /nfs/dbraw/zinc/94/27/48/1090942748.db2.gz PPEIHHXWRUMSTL-RTBURBONSA-N -1 1 369.461 4.277 20 0 FIADMM Cc1cc(Br)c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636292 1090951325 /nfs/dbraw/zinc/95/13/25/1090951325.db2.gz XLCQHOUMYFESGB-TZMCWYRMSA-N -1 1 366.280 4.222 20 0 FIADMM Cc1nc(-c2ccc(N3CCc4ccccc4[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000651448265 1090974696 /nfs/dbraw/zinc/97/46/96/1090974696.db2.gz RIVXSJKVRYHZOQ-AWEZNQCLSA-N -1 1 360.461 4.027 20 0 FIADMM Cc1c(=O)[n-]c(SCc2ccc([N+](=O)[O-])c(F)c2)nc1-c1ccccc1 ZINC000189481284 1090977408 /nfs/dbraw/zinc/97/74/08/1090977408.db2.gz BRCQLPBDHKNBDG-UHFFFAOYSA-N -1 1 371.393 4.085 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C2CCC(C)CC2)c1 ZINC000053638668 1091285278 /nfs/dbraw/zinc/28/52/78/1091285278.db2.gz YUUKCMLXVPBCJO-UHFFFAOYSA-N -1 1 372.538 4.343 20 0 FIADMM C[C@@H]1CCCC[C@@H]1CNC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000194407557 1091707304 /nfs/dbraw/zinc/70/73/04/1091707304.db2.gz LCDBNNHMDFMEEM-CHWSQXEVSA-N -1 1 364.540 4.002 20 0 FIADMM COC(=O)c1c[n-]c(SCCCCOc2ccccc2C(F)(F)F)n1 ZINC000432664840 1092040558 /nfs/dbraw/zinc/04/05/58/1092040558.db2.gz BSEWAAMRQDPGAH-UHFFFAOYSA-N -1 1 374.384 4.166 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(-c3ccsc3)s2)[n-]c1=O ZINC000432702231 1092155381 /nfs/dbraw/zinc/15/53/81/1092155381.db2.gz FXZKLYSCSFJRER-POHAHGRESA-N -1 1 373.459 4.104 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1Cl ZINC000432763928 1092297603 /nfs/dbraw/zinc/29/76/03/1092297603.db2.gz FIUPUBWOHRVJST-UHFFFAOYSA-N -1 1 368.867 4.068 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cc(F)ccc1Cl ZINC000442245888 1092522084 /nfs/dbraw/zinc/52/20/84/1092522084.db2.gz BREMJJDONGXJDU-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(F)cc1Cl ZINC000442251564 1092523821 /nfs/dbraw/zinc/52/38/21/1092523821.db2.gz QOAHHCYJMGASPT-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM COc1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc(Cl)c1[O-] ZINC000442830360 1092795519 /nfs/dbraw/zinc/79/55/19/1092795519.db2.gz SCVNZCAMVYNNEV-UHFFFAOYSA-N -1 1 358.781 4.270 20 0 FIADMM O=C([O-])c1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c(Br)c1 ZINC000521634252 1092807501 /nfs/dbraw/zinc/80/75/01/1092807501.db2.gz JRHWCXBHKSCTJN-GJZGRUSLSA-N -1 1 370.312 4.007 20 0 FIADMM COc1cc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc(Cl)c1[O-] ZINC000442977684 1092885450 /nfs/dbraw/zinc/88/54/50/1092885450.db2.gz BAQXNYWWOAIOML-TVQRCGJNSA-N -1 1 370.207 4.133 20 0 FIADMM COc1ccc(OC(C)C)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442958274 1092886610 /nfs/dbraw/zinc/88/66/10/1092886610.db2.gz QSAHLHYZWWETCC-UHFFFAOYSA-N -1 1 365.813 4.102 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc(Cl)c1[O-] ZINC000443061292 1092923797 /nfs/dbraw/zinc/92/37/97/1092923797.db2.gz VBLVUMGOHWPSOR-OAHLLOKOSA-N -1 1 359.853 4.320 20 0 FIADMM O=c1nc(-c2ccc(F)cc2)[n-]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000614112543 1092940308 /nfs/dbraw/zinc/94/03/08/1092940308.db2.gz DMRMBOVEVJGWTH-UHFFFAOYSA-N -1 1 366.373 4.186 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(F)c2ncccc12 ZINC000512567821 1092942980 /nfs/dbraw/zinc/94/29/80/1092942980.db2.gz DWTFSPFBPHUSCV-UHFFFAOYSA-N -1 1 370.327 4.194 20 0 FIADMM CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c2ncccc12 ZINC000443106842 1092943997 /nfs/dbraw/zinc/94/39/97/1092943997.db2.gz FHPLIVODLZQZBJ-UHFFFAOYSA-N -1 1 372.808 4.253 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc4c(c3)CCO4)no2)cc(Cl)c1[O-] ZINC000443099656 1092949295 /nfs/dbraw/zinc/94/92/95/1092949295.db2.gz UPKPFLOHHNIITQ-UHFFFAOYSA-N -1 1 358.781 4.096 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)cc(Cl)c1[O-] ZINC000443131198 1092956988 /nfs/dbraw/zinc/95/69/88/1092956988.db2.gz OHJJTROLUXJBQM-ZDUSSCGKSA-N -1 1 351.874 4.487 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1C ZINC000512582294 1092960966 /nfs/dbraw/zinc/96/09/66/1092960966.db2.gz LYBGMHDDRURXNP-UHFFFAOYSA-N -1 1 362.476 4.031 20 0 FIADMM [O-]c1c(Cl)cc(Br)cc1Nc1cc(F)c(CO)c(F)c1 ZINC001214041226 1092988663 /nfs/dbraw/zinc/98/86/63/1092988663.db2.gz LXQSGUCZDDHDOG-UHFFFAOYSA-N -1 1 364.573 4.322 20 0 FIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000191171153 1093087161 /nfs/dbraw/zinc/08/71/61/1093087161.db2.gz QWYUFKHLLHWDFA-UHFFFAOYSA-N -1 1 364.275 4.367 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1cc2ccccc2o1 ZINC000443394508 1093094662 /nfs/dbraw/zinc/09/46/62/1093094662.db2.gz PYRFDWCGWACUSO-SNVBAGLBSA-N -1 1 360.207 4.392 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000443408926 1093099985 /nfs/dbraw/zinc/09/99/85/1093099985.db2.gz VGXGCNIFJFXUCI-UHFFFAOYSA-N -1 1 373.396 4.381 20 0 FIADMM Cc1cc2occ(C=C([O-])Nc3nc(-c4ccccc4)ns3)c2cc1C ZINC000614689106 1093101033 /nfs/dbraw/zinc/10/10/33/1093101033.db2.gz XOPUSYCWPCCPDF-UHFFFAOYSA-N -1 1 363.442 4.171 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CC3(C)C)n2)cc(Br)c1[O-] ZINC000443405919 1093108731 /nfs/dbraw/zinc/10/87/31/1093108731.db2.gz YIDFXWNYYQNPDX-VIFPVBQESA-N -1 1 353.216 4.117 20 0 FIADMM O=C(Nc1ccccc1OCCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000094038202 1093279217 /nfs/dbraw/zinc/27/92/17/1093279217.db2.gz ZZODOTLJLKNBQQ-UHFFFAOYSA-N -1 1 373.412 4.073 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)cc1 ZINC000522360596 1093406859 /nfs/dbraw/zinc/40/68/59/1093406859.db2.gz HGFBBVFJIQSZTB-UHFFFAOYSA-N -1 1 367.474 4.205 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)n1 ZINC000011443499 1093484061 /nfs/dbraw/zinc/48/40/61/1093484061.db2.gz VLWSRAPKVMTBJL-AWEZNQCLSA-N -1 1 373.522 4.274 20 0 FIADMM O=C(Nc1ccccc1OC(F)F)c1cc(Br)ccc1[O-] ZINC000218314436 1093496799 /nfs/dbraw/zinc/49/67/99/1093496799.db2.gz MMKNGIIBICEYSQ-UHFFFAOYSA-N -1 1 358.138 4.008 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)cc1 ZINC000512887705 1093509340 /nfs/dbraw/zinc/50/93/40/1093509340.db2.gz AJDHLZLLNVJOKZ-CYBMUJFWSA-N -1 1 371.462 4.359 20 0 FIADMM CCN(Cc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1)C(C)=O ZINC000052745672 1093636055 /nfs/dbraw/zinc/63/60/55/1093636055.db2.gz FXIDUVWTORVXIP-UHFFFAOYSA-N -1 1 354.450 4.136 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H](c1ccncc1)C1CCCC1 ZINC000895707277 1093678056 /nfs/dbraw/zinc/67/80/56/1093678056.db2.gz PRTFRVSZGRLSEU-FQEVSTJZSA-N -1 1 362.433 4.090 20 0 FIADMM Cc1csc2ccc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)cc12 ZINC001167935754 1093933587 /nfs/dbraw/zinc/93/35/87/1093933587.db2.gz CFHPVJRNCQOGDR-UHFFFAOYSA-N -1 1 359.387 4.294 20 0 FIADMM Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ccc1C(F)(F)F ZINC001167937106 1093948331 /nfs/dbraw/zinc/94/83/31/1093948331.db2.gz RGKBXIOVJYNXHU-UHFFFAOYSA-N -1 1 371.295 4.099 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccccc1-c1ccccc1 ZINC000026543378 1094288399 /nfs/dbraw/zinc/28/83/99/1094288399.db2.gz AYLFSYAGEKABGK-UHFFFAOYSA-N -1 1 351.427 4.089 20 0 FIADMM O=C(CSc1cccc(Br)c1)Nc1ccc(F)cc1[O-] ZINC000501739639 1094903451 /nfs/dbraw/zinc/90/34/51/1094903451.db2.gz OFHRWUDGCYIASJ-UHFFFAOYSA-N -1 1 356.216 4.025 20 0 FIADMM CCCN(CCC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000028491996 1094918932 /nfs/dbraw/zinc/91/89/32/1094918932.db2.gz JRQADBNHZYLRDC-UHFFFAOYSA-N -1 1 374.506 4.058 20 0 FIADMM C[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@@H]1C ZINC000501813813 1094953219 /nfs/dbraw/zinc/95/32/19/1094953219.db2.gz FGISCKAQBPDLPS-OLZOCXBDSA-N -1 1 371.481 4.269 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c(C)n1 ZINC000414464601 1095036407 /nfs/dbraw/zinc/03/64/07/1095036407.db2.gz ZBQBHCAAKIKPMI-UHFFFAOYSA-N -1 1 358.385 4.135 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1 ZINC000501998121 1095044426 /nfs/dbraw/zinc/04/44/26/1095044426.db2.gz DNFMQQAWIJWWGR-UHFFFAOYSA-N -1 1 356.447 4.403 20 0 FIADMM C/C=C/C=C\c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436758854 1095311941 /nfs/dbraw/zinc/31/19/41/1095311941.db2.gz ZXOLGYMYAHKSPB-WZWXSLMZSA-N -1 1 351.200 4.193 20 0 FIADMM CCC[C@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccccn1 ZINC000502413720 1095454323 /nfs/dbraw/zinc/45/43/23/1095454323.db2.gz DGQKHJKILNKCFN-NSHDSACASA-N -1 1 360.870 4.131 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1 ZINC000509541944 1095973632 /nfs/dbraw/zinc/97/36/32/1095973632.db2.gz OBIUCRSYNZQUPV-UHFFFAOYSA-N -1 1 357.479 4.371 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000509543330 1096152483 /nfs/dbraw/zinc/15/24/83/1096152483.db2.gz QQLXIVZSLLIECX-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2F)C[C@H]1C(F)(F)F ZINC000414667430 1096391197 /nfs/dbraw/zinc/39/11/97/1096391197.db2.gz WIHNHFKMIFYVQK-HZPDHXFCSA-N -1 1 367.342 4.188 20 0 FIADMM CSc1ccccc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000436018948 1098662761 /nfs/dbraw/zinc/66/27/61/1098662761.db2.gz FTXRMRHKWHVFOH-UHFFFAOYSA-N -1 1 365.476 4.031 20 0 FIADMM C[C@H]1CC=C(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000454751998 1098739425 /nfs/dbraw/zinc/73/94/25/1098739425.db2.gz WVIHBEPNBAAOPT-HNNXBMFYSA-N -1 1 370.474 4.172 20 0 FIADMM Cc1nnc([N-]C(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)s1 ZINC000436129868 1098756169 /nfs/dbraw/zinc/75/61/69/1098756169.db2.gz XEZLTHOVUGAPAN-UHFFFAOYSA-N -1 1 369.233 4.369 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1 ZINC000515632427 1098778531 /nfs/dbraw/zinc/77/85/31/1098778531.db2.gz WGFWLIPTSMGEHS-UHFFFAOYSA-N -1 1 359.369 4.351 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000436190555 1098796122 /nfs/dbraw/zinc/79/61/22/1098796122.db2.gz NJXXLHONNDCVFZ-UHFFFAOYSA-N -1 1 358.463 4.312 20 0 FIADMM COc1ccc(C(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cc1Cl ZINC000436238715 1098844167 /nfs/dbraw/zinc/84/41/67/1098844167.db2.gz GJBMZQVCNBUUGM-VIFPVBQESA-N -1 1 364.854 4.085 20 0 FIADMM CC(Sc1ccc(C)cc1)=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000515705572 1098849358 /nfs/dbraw/zinc/84/93/58/1098849358.db2.gz OTBKSHYAOYANAV-CYBMUJFWSA-N -1 1 355.488 4.055 20 0 FIADMM O=c1cc(C2CC2)nc(SCc2nc(-c3cccc(Cl)c3)no2)[n-]1 ZINC000436244476 1098851136 /nfs/dbraw/zinc/85/11/36/1098851136.db2.gz RWAPVEILJUKACP-UHFFFAOYSA-N -1 1 360.826 4.055 20 0 FIADMM CC(C)(C)c1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436250423 1098864889 /nfs/dbraw/zinc/86/48/89/1098864889.db2.gz YHVMXBBIEZUPDY-UHFFFAOYSA-N -1 1 357.479 4.088 20 0 FIADMM CC[C@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505782516 1098875737 /nfs/dbraw/zinc/87/57/37/1098875737.db2.gz JORPHTCSDRDPBF-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533340934 1098974181 /nfs/dbraw/zinc/97/41/81/1098974181.db2.gz FGSKUXIBEABCDX-BZNIZROVSA-N -1 1 350.340 4.029 20 0 FIADMM O=S(=O)(Nc1cccc(C(F)F)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436475609 1099051750 /nfs/dbraw/zinc/05/17/50/1099051750.db2.gz GZQFYKWFKXLZBA-UHFFFAOYSA-N -1 1 367.295 4.149 20 0 FIADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436492936 1099054742 /nfs/dbraw/zinc/05/47/42/1099054742.db2.gz SQILNJPMIXGADJ-XMSQKQJNSA-N -1 1 361.441 4.443 20 0 FIADMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1 ZINC000436511607 1099071958 /nfs/dbraw/zinc/07/19/58/1099071958.db2.gz HHXSJRPURIYEKC-GOSISDBHSA-N -1 1 351.780 4.204 20 0 FIADMM CCOc1cc(C(=O)NCC[C@@H](OCC)C2CCCC2)cc(Cl)c1[O-] ZINC000436527532 1099083835 /nfs/dbraw/zinc/08/38/35/1099083835.db2.gz TZAZASLDJDUNFH-MRXNPFEDSA-N -1 1 369.889 4.160 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000436529354 1099084604 /nfs/dbraw/zinc/08/46/04/1099084604.db2.gz QXVGDXZOPSDSGX-CYBMUJFWSA-N -1 1 352.253 4.194 20 0 FIADMM CC[C@H]1CCc2nc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)sc2C1 ZINC000436531048 1099088084 /nfs/dbraw/zinc/08/80/84/1099088084.db2.gz CIKCBAFHNLZBTF-VIFPVBQESA-N -1 1 366.870 4.278 20 0 FIADMM COc1ccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c([O-])c1 ZINC000436557480 1099101807 /nfs/dbraw/zinc/10/18/07/1099101807.db2.gz WUOZMUWWJXIMQQ-UHFFFAOYSA-N -1 1 373.474 4.065 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c([O-])c1 ZINC000436538050 1099104332 /nfs/dbraw/zinc/10/43/32/1099104332.db2.gz IOAHBIMGOZBXOD-UHFFFAOYSA-N -1 1 373.412 4.051 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000436543422 1099108592 /nfs/dbraw/zinc/10/85/92/1099108592.db2.gz LFCLKFBIZVDRJX-HNNXBMFYSA-N -1 1 351.830 4.115 20 0 FIADMM CCc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4cc3[O-])CCO2)cc1 ZINC000436543401 1099109232 /nfs/dbraw/zinc/10/92/32/1099109232.db2.gz HLRXXSYPRPSWHC-QFIPXVFZSA-N -1 1 361.441 4.322 20 0 FIADMM O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000436566118 1099118239 /nfs/dbraw/zinc/11/82/39/1099118239.db2.gz VAKANWIWRACPIF-CYBMUJFWSA-N -1 1 352.337 4.035 20 0 FIADMM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(C)c1 ZINC000516019903 1099118261 /nfs/dbraw/zinc/11/82/61/1099118261.db2.gz XRBNOKOPVHKHFS-UHFFFAOYSA-N -1 1 361.463 4.177 20 0 FIADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)CO1 ZINC000436591072 1099125198 /nfs/dbraw/zinc/12/51/98/1099125198.db2.gz VGULGMXQZXEEQH-IIBYNOLFSA-N -1 1 361.441 4.456 20 0 FIADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)CO1 ZINC000436591075 1099125390 /nfs/dbraw/zinc/12/53/90/1099125390.db2.gz VGULGMXQZXEEQH-KKSFZXQISA-N -1 1 361.441 4.456 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(CCc1ccccc1)[C@H]1CCOC1 ZINC000436581648 1099130625 /nfs/dbraw/zinc/13/06/25/1099130625.db2.gz FVHRYYMOZTZTFF-IBGZPJMESA-N -1 1 361.441 4.019 20 0 FIADMM O=C(C[C@H]1CCCCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000436582189 1099132011 /nfs/dbraw/zinc/13/20/11/1099132011.db2.gz ALQYJTSBNSFGSL-CQSZACIVSA-N -1 1 361.825 4.296 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000436581134 1099132463 /nfs/dbraw/zinc/13/24/63/1099132463.db2.gz DOLMRCZEOSNUCH-GFCCVEGCSA-N -1 1 370.207 4.132 20 0 FIADMM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc4ccccc4c3[O-])c2)n1 ZINC000436584270 1099133476 /nfs/dbraw/zinc/13/34/76/1099133476.db2.gz MDQMLZRQZHZJLL-UHFFFAOYSA-N -1 1 372.428 4.054 20 0 FIADMM COc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c([O-])c1 ZINC000436591032 1099136751 /nfs/dbraw/zinc/13/67/51/1099136751.db2.gz VCEASHZFOQXJSX-UHFFFAOYSA-N -1 1 368.433 4.172 20 0 FIADMM CC(C)(CO)[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436613025 1099145461 /nfs/dbraw/zinc/14/54/61/1099145461.db2.gz ZTVDMYKAYQZJGF-FQEVSTJZSA-N -1 1 363.457 4.078 20 0 FIADMM CC(C)(CO)[C@H](CNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436613026 1099145934 /nfs/dbraw/zinc/14/59/34/1099145934.db2.gz ZTVDMYKAYQZJGF-HXUWFJFHSA-N -1 1 363.457 4.078 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000436626445 1099153342 /nfs/dbraw/zinc/15/33/42/1099153342.db2.gz IWQZSVYRPVAMFF-XAVKZTDYSA-N -1 1 372.262 4.473 20 0 FIADMM C[C@H](c1ccsc1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436655450 1099178809 /nfs/dbraw/zinc/17/88/09/1099178809.db2.gz CGZGRSGBHRMXSR-OAHLLOKOSA-N -1 1 366.486 4.126 20 0 FIADMM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)c(OCc2ccccc2)c1 ZINC000436671472 1099201707 /nfs/dbraw/zinc/20/17/07/1099201707.db2.gz JQWIMWIDLFCXDA-UHFFFAOYSA-N -1 1 361.397 4.101 20 0 FIADMM Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436696055 1099229792 /nfs/dbraw/zinc/22/97/92/1099229792.db2.gz GEBGKVPDBBNHKA-UHFFFAOYSA-N -1 1 361.397 4.101 20 0 FIADMM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436698820 1099231670 /nfs/dbraw/zinc/23/16/70/1099231670.db2.gz NOIGQQJLULDLLD-UHFFFAOYSA-N -1 1 368.776 4.054 20 0 FIADMM CC(=O)N(c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1)C1CC1 ZINC000436741925 1099262204 /nfs/dbraw/zinc/26/22/04/1099262204.db2.gz WEYNTUOGGXFKGT-UHFFFAOYSA-N -1 1 360.413 4.313 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000436749699 1099283742 /nfs/dbraw/zinc/28/37/42/1099283742.db2.gz BQXLTIWPALRHNZ-UHFFFAOYSA-N -1 1 369.770 4.379 20 0 FIADMM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(Br)cc1[O-] ZINC000436777821 1099299464 /nfs/dbraw/zinc/29/94/64/1099299464.db2.gz OMAKTVZMFAJCCQ-UHFFFAOYSA-N -1 1 370.193 4.095 20 0 FIADMM COc1ccc(CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C2CC2)cc1 ZINC000436765678 1099306055 /nfs/dbraw/zinc/30/60/55/1099306055.db2.gz XXJLMMOOEMXZHZ-UHFFFAOYSA-N -1 1 365.351 4.224 20 0 FIADMM CC/C=C(\C)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436768434 1099310140 /nfs/dbraw/zinc/31/01/40/1099310140.db2.gz IPZBRFNUPIOIKV-RMKNXTFCSA-N -1 1 353.216 4.417 20 0 FIADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436797833 1099328568 /nfs/dbraw/zinc/32/85/68/1099328568.db2.gz PNWHEQMCNWIMCE-UHFFFAOYSA-N -1 1 352.356 4.346 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1noc(-c2ccccc2)n1 ZINC000436818240 1099329828 /nfs/dbraw/zinc/32/98/28/1099329828.db2.gz JXAATASMLGYXFB-CYBMUJFWSA-N -1 1 359.385 4.086 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000516267785 1099334486 /nfs/dbraw/zinc/33/44/86/1099334486.db2.gz MJFIEGRIFOGSPE-LBPRGKRZSA-N -1 1 369.820 4.331 20 0 FIADMM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436811151 1099336011 /nfs/dbraw/zinc/33/60/11/1099336011.db2.gz ZSXXYFMPQCAOGO-UHFFFAOYSA-N -1 1 362.429 4.244 20 0 FIADMM Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436833624 1099343852 /nfs/dbraw/zinc/34/38/52/1099343852.db2.gz WDPLRAJYXOWHQI-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436820487 1099349227 /nfs/dbraw/zinc/34/92/27/1099349227.db2.gz QYSREVKBTVMLPV-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000436857112 1099356576 /nfs/dbraw/zinc/35/65/76/1099356576.db2.gz CFMBGHHABGRAEG-UHFFFAOYSA-N -1 1 371.824 4.272 20 0 FIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)cc1 ZINC000614868814 1099366207 /nfs/dbraw/zinc/36/62/07/1099366207.db2.gz PJBAYWJHUVOXAR-OAHLLOKOSA-N -1 1 374.506 4.141 20 0 FIADMM Cc1c(NC(=O)c2cc3ccccc3cc2[O-])cccc1NC(=O)N(C)C ZINC000436852375 1099368346 /nfs/dbraw/zinc/36/83/46/1099368346.db2.gz OHFNMOFXVRMABL-UHFFFAOYSA-N -1 1 363.417 4.200 20 0 FIADMM CCOc1cc(-c2noc(C3(F)CCCC3)n2)cc(Br)c1[O-] ZINC000436868624 1099379916 /nfs/dbraw/zinc/37/99/16/1099379916.db2.gz AUNWLMVUWNDXOD-UHFFFAOYSA-N -1 1 371.206 4.342 20 0 FIADMM COc1ccc(OC)c([C@@H]2C[C@@H]2c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436870774 1099381660 /nfs/dbraw/zinc/38/16/60/1099381660.db2.gz IJSANBCQCQDBJV-ZFWWWQNUSA-N -1 1 372.808 4.384 20 0 FIADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436895104 1099391394 /nfs/dbraw/zinc/39/13/94/1099391394.db2.gz VOSSJXMASGUKAF-DOMZBBRYSA-N -1 1 360.251 4.173 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4oc(=O)[nH]c4c3)n2)cc(Cl)c1[O-] ZINC000436876739 1099392790 /nfs/dbraw/zinc/39/27/90/1099392790.db2.gz KAIOAXODCGJPBV-UHFFFAOYSA-N -1 1 373.752 4.008 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(NC(C)C)nc3)n2)cc(Cl)c1[O-] ZINC000436880951 1099397763 /nfs/dbraw/zinc/39/77/63/1099397763.db2.gz UNTUPVMIXZWDSB-UHFFFAOYSA-N -1 1 374.828 4.377 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Br)ccc2Cl)[C@H]2CCC[C@H]21 ZINC000629374453 1099418088 /nfs/dbraw/zinc/41/80/88/1099418088.db2.gz SIOJFAOFNDSZDM-GUTXKFCHSA-N -1 1 372.690 4.178 20 0 FIADMM Cc1ccc2oc(C(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)cc2c1 ZINC000436914928 1099429343 /nfs/dbraw/zinc/42/93/43/1099429343.db2.gz LLFPILQPLGUECA-UHFFFAOYSA-N -1 1 368.780 4.138 20 0 FIADMM Cc1ccc2oc(C(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)cc2c1 ZINC000436914928 1099429352 /nfs/dbraw/zinc/42/93/52/1099429352.db2.gz LLFPILQPLGUECA-UHFFFAOYSA-N -1 1 368.780 4.138 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCSC2(CCCCC2)C1 ZINC000436921684 1099436222 /nfs/dbraw/zinc/43/62/22/1099436222.db2.gz KJFRZIUPXNKVAL-UHFFFAOYSA-N -1 1 370.312 4.047 20 0 FIADMM Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1NC(=O)N(C)C ZINC000436925977 1099439505 /nfs/dbraw/zinc/43/95/05/1099439505.db2.gz ICVVKLKLTYHSQK-UHFFFAOYSA-N -1 1 355.438 4.170 20 0 FIADMM Cc1nc(-c2cccc(-c3noc(-c4ccc5ccccc5c4[O-])n3)c2)n[nH]1 ZINC000436947734 1099460836 /nfs/dbraw/zinc/46/08/36/1099460836.db2.gz RYFJGFRLLUGNLE-UHFFFAOYSA-N -1 1 369.384 4.356 20 0 FIADMM O=C(C(=O)N1CCC(c2cccc3ccccc32)CC1)c1ccc([O-])cc1 ZINC000436964738 1099464483 /nfs/dbraw/zinc/46/44/83/1099464483.db2.gz SDUJKCCDHCVDOG-UHFFFAOYSA-N -1 1 359.425 4.134 20 0 FIADMM COC(C)(C)c1nc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000436957099 1099473664 /nfs/dbraw/zinc/47/36/64/1099473664.db2.gz RYDWMNOKBICCAA-UHFFFAOYSA-N -1 1 365.842 4.409 20 0 FIADMM CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)c([O-])c1 ZINC000436975260 1099481201 /nfs/dbraw/zinc/48/12/01/1099481201.db2.gz IUXKNOFIWORDSB-UHFFFAOYSA-N -1 1 356.422 4.172 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccccc3C(F)(F)F)no2)c1 ZINC000436998158 1099501508 /nfs/dbraw/zinc/50/15/08/1099501508.db2.gz IAMLDYXROVSZAF-UHFFFAOYSA-N -1 1 363.295 4.086 20 0 FIADMM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000437001691 1099507077 /nfs/dbraw/zinc/50/70/77/1099507077.db2.gz LABIMVMVPOVSGT-SFHVURJKSA-N -1 1 373.330 4.148 20 0 FIADMM Cc1c(NC(=O)c2ccc(C(C)C)cc2[O-])cccc1NC(=O)N(C)C ZINC000437001448 1099520518 /nfs/dbraw/zinc/52/05/18/1099520518.db2.gz PHMGQYYJMJWXON-UHFFFAOYSA-N -1 1 355.438 4.170 20 0 FIADMM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000516481463 1099525813 /nfs/dbraw/zinc/52/58/13/1099525813.db2.gz AXDHNDPBHRJIRI-AWEZNQCLSA-N -1 1 367.474 4.405 20 0 FIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cnc(-c2ccccc2F)s1 ZINC000516754620 1099772557 /nfs/dbraw/zinc/77/25/57/1099772557.db2.gz PQTBUGUYFCLFOS-UHFFFAOYSA-N -1 1 374.344 4.072 20 0 FIADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(F)c(F)cc1F ZINC000437359205 1099849548 /nfs/dbraw/zinc/84/95/48/1099849548.db2.gz OOVUGHMDRINRPU-UHFFFAOYSA-N -1 1 355.385 4.331 20 0 FIADMM O=C([N-]c1nnc(C(F)F)s1)c1csc(-c2c(F)cccc2F)n1 ZINC000171031455 1100090406 /nfs/dbraw/zinc/09/04/06/1100090406.db2.gz AXFVJGHSAAOUOH-UHFFFAOYSA-N -1 1 374.344 4.130 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4c(n3)CCCC4)n2)cc(Cl)c1[O-] ZINC000445410052 1100157438 /nfs/dbraw/zinc/15/74/38/1100157438.db2.gz CZRUIZLTYDDRFE-UHFFFAOYSA-N -1 1 371.824 4.435 20 0 FIADMM O=C([O-])c1cc(CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cs1 ZINC000517575769 1100495083 /nfs/dbraw/zinc/49/50/83/1100495083.db2.gz KRGKLHBCDPZOBY-LBPRGKRZSA-N -1 1 372.273 4.406 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000517688329 1100595927 /nfs/dbraw/zinc/59/59/27/1100595927.db2.gz XZCKWBZTMLHMMZ-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3cccc4ccccc43)cnc2n1 ZINC000517783267 1100652742 /nfs/dbraw/zinc/65/27/42/1100652742.db2.gz QQSRBNNTWOHCLD-UHFFFAOYSA-N -1 1 357.413 4.069 20 0 FIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)Cc1cccc3ccccc31)c2=O ZINC000517783267 1100652746 /nfs/dbraw/zinc/65/27/46/1100652746.db2.gz QQSRBNNTWOHCLD-UHFFFAOYSA-N -1 1 357.413 4.069 20 0 FIADMM O=C1c2cc(Cl)ccc2N[C@H](c2cc(F)c([O-])c(F)c2)N1CC1CC1 ZINC000426090267 1100823817 /nfs/dbraw/zinc/82/38/17/1100823817.db2.gz RJIXIBWVUAPJOJ-KRWDZBQOSA-N -1 1 364.779 4.300 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000438768104 1100905579 /nfs/dbraw/zinc/90/55/79/1100905579.db2.gz XWLRENUQRHFMCY-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM O=C(Nc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1)c1ccccc1 ZINC000438768596 1100906667 /nfs/dbraw/zinc/90/66/67/1100906667.db2.gz ZHFPWZXLJMQLTO-UHFFFAOYSA-N -1 1 368.339 4.175 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1Cl ZINC000509565801 1100964769 /nfs/dbraw/zinc/96/47/69/1100964769.db2.gz BEJNFQZBWRJFNG-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c2ccccc12 ZINC000509585304 1100984529 /nfs/dbraw/zinc/98/45/29/1100984529.db2.gz NPBLXHLRGUFSDK-UHFFFAOYSA-N -1 1 370.455 4.259 20 0 FIADMM O=C(Nc1cc(CCc2ccccc2)ccn1)c1c(F)ccc([O-])c1F ZINC000438911185 1101024661 /nfs/dbraw/zinc/02/46/61/1101024661.db2.gz JSEDEJJLYAMBPC-UHFFFAOYSA-N -1 1 354.356 4.103 20 0 FIADMM CC(C)(CNC(=O)c1ncc2ccccc2c1[O-])c1ccccc1Cl ZINC001143564930 1101060372 /nfs/dbraw/zinc/06/03/72/1101060372.db2.gz FVZNBGFMKGQQMA-UHFFFAOYSA-N -1 1 354.837 4.301 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1C ZINC000518332235 1101101266 /nfs/dbraw/zinc/10/12/66/1101101266.db2.gz LIKHDNSCYLSZJO-UHFFFAOYSA-N -1 1 374.506 4.185 20 0 FIADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(C)(C)C ZINC000518484407 1101243687 /nfs/dbraw/zinc/24/36/87/1101243687.db2.gz VBNKSEMXERHPPU-SFHVURJKSA-N -1 1 374.506 4.042 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506553284 1101359390 /nfs/dbraw/zinc/35/93/90/1101359390.db2.gz XFZYDSRMNPYZGI-UHFFFAOYSA-N -1 1 351.427 4.357 20 0 FIADMM CCc1ccc(C2=CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)cc1 ZINC000180274008 1101576453 /nfs/dbraw/zinc/57/64/53/1101576453.db2.gz GUOCZWZGBWGFAM-UHFFFAOYSA-N -1 1 358.441 4.020 20 0 FIADMM CC[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CCCCC1 ZINC000586271566 1101612861 /nfs/dbraw/zinc/61/28/61/1101612861.db2.gz UASHRZYCZCTNFC-HXUWFJFHSA-N -1 1 372.509 4.355 20 0 FIADMM Cc1noc(C(C)C)c1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000518893886 1101698258 /nfs/dbraw/zinc/69/82/58/1101698258.db2.gz LFDAMJBQGHFMHK-UHFFFAOYSA-N -1 1 360.464 4.361 20 0 FIADMM Cc1cnc(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c([O-])c1 ZINC000460207300 1101709007 /nfs/dbraw/zinc/70/90/07/1101709007.db2.gz TUXOGOSMTFAZPX-LBPRGKRZSA-N -1 1 364.367 4.480 20 0 FIADMM COC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1ccco1 ZINC001126656571 1101740564 /nfs/dbraw/zinc/74/05/64/1101740564.db2.gz ZPMDGUCAKDQNJW-LLVKDONJSA-N -1 1 364.175 4.182 20 0 FIADMM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000537414322 1101759260 /nfs/dbraw/zinc/75/92/60/1101759260.db2.gz JMTISVAANWZHDH-BXUZGUMPSA-N -1 1 359.495 4.432 20 0 FIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000006316127 1101770708 /nfs/dbraw/zinc/77/07/08/1101770708.db2.gz VNDRVEGWLRIBRG-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c1C ZINC000519023481 1101840153 /nfs/dbraw/zinc/84/01/53/1101840153.db2.gz MGFGHVNVBIBCFK-UHFFFAOYSA-N -1 1 357.834 4.214 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)[nH]nc1C1CC1 ZINC000760320058 1101907155 /nfs/dbraw/zinc/90/71/55/1101907155.db2.gz MDVFESMGMJICPO-UHFFFAOYSA-N -1 1 367.883 4.264 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@@H]1c1ccccc1 ZINC000440196345 1102088954 /nfs/dbraw/zinc/08/89/54/1102088954.db2.gz REAINWFTXLJACB-CJNGLKHVSA-N -1 1 374.278 4.421 20 0 FIADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CCC(C)C)c1 ZINC001142531583 1102174840 /nfs/dbraw/zinc/17/48/40/1102174840.db2.gz CORWKAPRKOUUQG-UHFFFAOYSA-N -1 1 352.434 4.358 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475838324 1102209686 /nfs/dbraw/zinc/20/96/86/1102209686.db2.gz UPGRYHOAPDUBGM-UHFFFAOYSA-N -1 1 352.459 4.475 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1 ZINC000666443520 1102213863 /nfs/dbraw/zinc/21/38/63/1102213863.db2.gz CJCWXGZIKKXRLS-UHFFFAOYSA-N -1 1 356.447 4.023 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000121330297 1102382808 /nfs/dbraw/zinc/38/28/08/1102382808.db2.gz CASCKARAQNXDFD-UHFFFAOYSA-N -1 1 358.397 4.376 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1NC(=O)C(C)(C)C ZINC000110592120 1102395372 /nfs/dbraw/zinc/39/53/72/1102395372.db2.gz IIBFZXDZKZSDDI-UHFFFAOYSA-N -1 1 360.479 4.089 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 ZINC000121688373 1102434742 /nfs/dbraw/zinc/43/47/42/1102434742.db2.gz YYAXRYISEPSLJV-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nc(-c3ccsc3)ns2)n1 ZINC000109109042 1102490026 /nfs/dbraw/zinc/49/00/26/1102490026.db2.gz ZWFHKWQBWZBFNE-UHFFFAOYSA-N -1 1 365.871 4.086 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(F)ccc1-c1ccoc1 ZINC000473676275 1102502943 /nfs/dbraw/zinc/50/29/43/1102502943.db2.gz NUYTYLQHJYYHBU-UHFFFAOYSA-N -1 1 353.378 4.212 20 0 FIADMM C[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(F)c1 ZINC000116441666 1102556031 /nfs/dbraw/zinc/55/60/31/1102556031.db2.gz MUSOXXMJPXVPJM-OAHLLOKOSA-N -1 1 369.436 4.146 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 ZINC000122447634 1102591655 /nfs/dbraw/zinc/59/16/55/1102591655.db2.gz HJCFBXJGDFLOLQ-UHFFFAOYSA-N -1 1 361.401 4.347 20 0 FIADMM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000532622141 1102597889 /nfs/dbraw/zinc/59/78/89/1102597889.db2.gz FGELIGOGGNJMAR-UHFFFAOYSA-N -1 1 360.385 4.278 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2C)ccc1F ZINC000061122721 1102632425 /nfs/dbraw/zinc/63/24/25/1102632425.db2.gz CSZQHWVTVTWWBE-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCc1ccccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043402670 1102680303 /nfs/dbraw/zinc/68/03/03/1102680303.db2.gz QUVFLPBTXHAMNL-UHFFFAOYSA-N -1 1 352.434 4.081 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)sc1Cl ZINC000473768399 1102700383 /nfs/dbraw/zinc/70/03/83/1102700383.db2.gz USCLAQLSJUUDCV-UHFFFAOYSA-N -1 1 367.883 4.209 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1OCC ZINC000614829570 1102746434 /nfs/dbraw/zinc/74/64/34/1102746434.db2.gz RPMQTKVUYGMNKJ-UHFFFAOYSA-N -1 1 373.833 4.077 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c2ccccc12 ZINC000614829310 1102752713 /nfs/dbraw/zinc/75/27/13/1102752713.db2.gz NEMCLOBEQRKDHZ-UHFFFAOYSA-N -1 1 365.813 4.442 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2csc([C@H]3CCCO3)n2)s1 ZINC000121884564 1102779814 /nfs/dbraw/zinc/77/98/14/1102779814.db2.gz SYFBVDHFCYRNND-LLVKDONJSA-N -1 1 352.485 4.002 20 0 FIADMM Cc1cccc([C@@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1C ZINC000426720514 1102940190 /nfs/dbraw/zinc/94/01/90/1102940190.db2.gz NICFFWFYGVWXHN-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000476912132 1102942197 /nfs/dbraw/zinc/94/21/97/1102942197.db2.gz JMZZQKJLBITMNB-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM Cc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000426753577 1102969714 /nfs/dbraw/zinc/96/97/14/1102969714.db2.gz JHTYFXQBUFMEHD-DYVFJYSZSA-N -1 1 362.267 4.309 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000426756106 1102970457 /nfs/dbraw/zinc/97/04/57/1102970457.db2.gz IAMZIPZMNCZASH-LIRRHRJNSA-N -1 1 352.459 4.362 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000426758341 1102973204 /nfs/dbraw/zinc/97/32/04/1102973204.db2.gz RYMQAXOMDFETQE-KBXCAEBGSA-N -1 1 352.459 4.362 20 0 FIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)c(Br)c2)o1 ZINC000426804924 1103001578 /nfs/dbraw/zinc/00/15/78/1103001578.db2.gz XGVLFENMZZOSMN-CYBMUJFWSA-N -1 1 372.646 4.310 20 0 FIADMM O=C([O-])[C@H](NCc1cccc(OCc2ccccc2)c1)c1ccccc1F ZINC000426805124 1103002442 /nfs/dbraw/zinc/00/24/42/1103002442.db2.gz ZBZPXHJDEZJWGE-OAQYLSRUSA-N -1 1 365.404 4.320 20 0 FIADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1ccc(Br)cc1 ZINC000426813497 1103009969 /nfs/dbraw/zinc/00/99/69/1103009969.db2.gz XSVWHZYEQAPOJM-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)o2)cc1 ZINC000426817072 1103010958 /nfs/dbraw/zinc/01/09/58/1103010958.db2.gz RTFGHYXWEIOLEB-OAHLLOKOSA-N -1 1 366.255 4.471 20 0 FIADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2nc3ccccc3n2C)cc1 ZINC000426822280 1103016009 /nfs/dbraw/zinc/01/60/09/1103016009.db2.gz AWLQQCOJAQUXOT-SFHVURJKSA-N -1 1 351.450 4.002 20 0 FIADMM O=C([O-])C[C@@H](NCc1cccc(-c2ccncc2)c1)c1ccc(F)cc1F ZINC000426823069 1103018836 /nfs/dbraw/zinc/01/88/36/1103018836.db2.gz ANNBFVNYAILKAJ-HXUWFJFHSA-N -1 1 368.383 4.332 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1 ZINC000507000537 1103028340 /nfs/dbraw/zinc/02/83/40/1103028340.db2.gz CULVMFXVIUIYSE-UHFFFAOYSA-N -1 1 373.478 4.207 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)cc2cccnc21 ZINC000477105832 1103105701 /nfs/dbraw/zinc/10/57/01/1103105701.db2.gz HOBWYVHHFVFACO-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC001211973774 1103124276 /nfs/dbraw/zinc/12/42/76/1103124276.db2.gz OHGXCWOFKISTGC-HOTGVXAUSA-N -1 1 365.445 4.135 20 0 FIADMM O=C([O-])[C@]1(NCc2c(Cl)oc3ccccc32)CCc2c1cccc2F ZINC000551421203 1103201534 /nfs/dbraw/zinc/20/15/34/1103201534.db2.gz ZERXBNPKHREGQB-IBGZPJMESA-N -1 1 359.784 4.241 20 0 FIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OCC2CCCCC2)cc1 ZINC000507255234 1103245429 /nfs/dbraw/zinc/24/54/29/1103245429.db2.gz ZETHLJCWEWJFCS-UHFFFAOYSA-N -1 1 368.359 4.035 20 0 FIADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)CC1(c2ccccc2)CC1 ZINC000519605056 1103382707 /nfs/dbraw/zinc/38/27/07/1103382707.db2.gz LASGTURDBYZXQL-UHFFFAOYSA-N -1 1 362.429 4.203 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCCC(C)C)cc2)[n-]c1=O ZINC000427273447 1103396450 /nfs/dbraw/zinc/39/64/50/1103396450.db2.gz MELHRJHCBDZGBZ-QINSGFPZSA-N -1 1 370.449 4.344 20 0 FIADMM COc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc(Cl)c1[O-] ZINC000477586057 1103704271 /nfs/dbraw/zinc/70/42/71/1103704271.db2.gz JKFHHTDVLBQIRW-UHFFFAOYSA-N -1 1 373.840 4.480 20 0 FIADMM CC(=O)c1[n-]c(=N[C@@H](C)c2ccc(OCc3cccnc3)cc2)sc1C ZINC000519744185 1103828122 /nfs/dbraw/zinc/82/81/22/1103828122.db2.gz XMAAJTNJYGKQJA-ZDUSSCGKSA-N -1 1 367.474 4.223 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000519862883 1103912259 /nfs/dbraw/zinc/91/22/59/1103912259.db2.gz GSNJMGMHQZLHSC-INIZCTEOSA-N -1 1 373.880 4.458 20 0 FIADMM COc1ccc(C(=O)CCCCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445459501 1103931868 /nfs/dbraw/zinc/93/18/68/1103931868.db2.gz CABIIVLBXFXJBV-UHFFFAOYSA-N -1 1 370.380 4.186 20 0 FIADMM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1cncc([O-])c1 ZINC000550322135 1104185136 /nfs/dbraw/zinc/18/51/36/1104185136.db2.gz FEXCQXPPSPXBLL-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3c(Cl)ccc4ccccc43)cc2[nH]1 ZINC000520260258 1104202769 /nfs/dbraw/zinc/20/27/69/1104202769.db2.gz IHIDEONIBWFYOY-UHFFFAOYSA-N -1 1 371.849 4.479 20 0 FIADMM CC(=O)c1sc(NC(=O)c2ccc([O-])cc2F)nc1-c1ccccc1 ZINC000188318869 1104225132 /nfs/dbraw/zinc/22/51/32/1104225132.db2.gz IQPWVONDIGYCND-UHFFFAOYSA-N -1 1 356.378 4.110 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000102321062 1104390340 /nfs/dbraw/zinc/39/03/40/1104390340.db2.gz YZCVIIGMRBQCJV-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1CCC(F)(F)F ZINC000536308666 1104660246 /nfs/dbraw/zinc/66/02/46/1104660246.db2.gz OPHLHWLEMLZKGT-UHFFFAOYSA-N -1 1 365.380 4.307 20 0 FIADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)cc1 ZINC000331145535 1104704083 /nfs/dbraw/zinc/70/40/83/1104704083.db2.gz IBGYOVPHVNFZNU-RHSMWYFYSA-N -1 1 367.493 4.115 20 0 FIADMM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000417584059 1104996417 /nfs/dbraw/zinc/99/64/17/1104996417.db2.gz LYYBGAHTKDJCPQ-PXAZEXFGSA-N -1 1 365.470 4.301 20 0 FIADMM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000129583825 1105126665 /nfs/dbraw/zinc/12/66/65/1105126665.db2.gz OOYMCPGTXWEJHN-UHFFFAOYSA-N -1 1 368.861 4.021 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000441731433 1105132788 /nfs/dbraw/zinc/13/27/88/1105132788.db2.gz RPTRBMUBTPGZFG-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1 ZINC000427631702 1105165407 /nfs/dbraw/zinc/16/54/07/1105165407.db2.gz SATKDTQIQVLNOV-UHFFFAOYSA-N -1 1 368.458 4.004 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c(C)s1 ZINC000520767937 1105211844 /nfs/dbraw/zinc/21/18/44/1105211844.db2.gz JMIHBPDVOGNJKW-UHFFFAOYSA-N -1 1 353.362 4.324 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Cl)cc1C(F)(F)F ZINC000520767875 1105211855 /nfs/dbraw/zinc/21/18/55/1105211855.db2.gz CUNGCUFQUXCUOU-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)ccc1F ZINC000427651222 1105228856 /nfs/dbraw/zinc/22/88/56/1105228856.db2.gz ODEJVXSBZYVNBQ-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc2ncccc21 ZINC000508033625 1105299855 /nfs/dbraw/zinc/29/98/55/1105299855.db2.gz UXAHZBONMSAICF-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM [O-]c1cccc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000508207581 1105350840 /nfs/dbraw/zinc/35/08/40/1105350840.db2.gz LANOPGYNHJVYOL-MRXNPFEDSA-N -1 1 369.795 4.221 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc2ccccc2cc1[O-] ZINC000216627161 1106787653 /nfs/dbraw/zinc/78/76/53/1106787653.db2.gz IAIQHSKRSIRRTL-JOCHJYFZSA-N -1 1 354.409 4.460 20 0 FIADMM Cc1cc(Br)c(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1Cl ZINC000530166726 1106873531 /nfs/dbraw/zinc/87/35/31/1106873531.db2.gz SYXFLYOPNXANMS-LKFCYVNXSA-N -1 1 360.679 4.096 20 0 FIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc(C2CC2)cc1 ZINC000451020708 1106875598 /nfs/dbraw/zinc/87/55/98/1106875598.db2.gz ZBQJXMZUZVAHOD-UHFFFAOYSA-N -1 1 355.381 4.470 20 0 FIADMM Cc1cc(Br)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC000530161546 1106893675 /nfs/dbraw/zinc/89/36/75/1106893675.db2.gz CEINLRQFKLMLIT-GFCCVEGCSA-N -1 1 372.690 4.098 20 0 FIADMM CCc1cc(C)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)o1 ZINC000444355230 1106899246 /nfs/dbraw/zinc/89/92/46/1106899246.db2.gz YAJMTOYPZMLJNA-UHFFFAOYSA-N -1 1 370.449 4.171 20 0 FIADMM Cc1ccccc1Nc1nc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cs1 ZINC000530172819 1106902093 /nfs/dbraw/zinc/90/20/93/1106902093.db2.gz AVFXWTWWXIUMTG-ZIAGYGMSSA-N -1 1 359.495 4.269 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NCC(F)(F)F)c2)cc1C ZINC000451089385 1106922361 /nfs/dbraw/zinc/92/23/61/1106922361.db2.gz MAPDXRNOIXNOLV-UHFFFAOYSA-N -1 1 358.385 4.078 20 0 FIADMM COc1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000530312511 1106960596 /nfs/dbraw/zinc/96/05/96/1106960596.db2.gz AHEIJSMVBQNIKT-DOMZBBRYSA-N -1 1 363.816 4.259 20 0 FIADMM CSc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000301344236 1106998458 /nfs/dbraw/zinc/99/84/58/1106998458.db2.gz JTXRVORNZCTZNA-UHFFFAOYSA-N -1 1 350.403 4.035 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C1CCOCC1 ZINC000451279153 1107001233 /nfs/dbraw/zinc/00/12/33/1107001233.db2.gz ZTKAKGSFDZHEEY-ZDUSSCGKSA-N -1 1 373.927 4.038 20 0 FIADMM CC[C@@H](CN(C)C(=O)c1cncc([O-])c1)Oc1ccc(Cl)c(Cl)c1 ZINC000530461371 1107054733 /nfs/dbraw/zinc/05/47/33/1107054733.db2.gz GOZVCJDNWOHSKG-ZDUSSCGKSA-N -1 1 369.248 4.024 20 0 FIADMM CCCCO[C@H]1C[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(C)C ZINC000301551645 1107067269 /nfs/dbraw/zinc/06/72/69/1107067269.db2.gz RAGNCUMKKRDWFB-SJORKVTESA-N -1 1 370.497 4.257 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@H]3C3CCCCC3)nc2)[n-]c(=O)c1C ZINC000301562460 1107071064 /nfs/dbraw/zinc/07/10/64/1107071064.db2.gz UTAKPLMUNMZPMY-GOSISDBHSA-N -1 1 352.482 4.410 20 0 FIADMM CC[C@H](Cc1ccccc1)N(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301768674 1107143977 /nfs/dbraw/zinc/14/39/77/1107143977.db2.gz OOWYSEHFARDRGT-LJQANCHMSA-N -1 1 362.477 4.319 20 0 FIADMM CCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029431725 1107650705 /nfs/dbraw/zinc/65/07/05/1107650705.db2.gz RGUMGTFVHSSHSK-INIZCTEOSA-N -1 1 374.506 4.186 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000614762689 1107656705 /nfs/dbraw/zinc/65/67/05/1107656705.db2.gz TUNKXEIFZDRJOL-UHFFFAOYSA-N -1 1 374.506 4.122 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193498446 1107662042 /nfs/dbraw/zinc/66/20/42/1107662042.db2.gz PKXPGKUMGIZDAY-UHFFFAOYSA-N -1 1 367.779 4.007 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c2ccccc12 ZINC000614769244 1107730931 /nfs/dbraw/zinc/73/09/31/1107730931.db2.gz INAAGNJFKVPXRI-UHFFFAOYSA-N -1 1 359.472 4.371 20 0 FIADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1(C)CCCC1 ZINC000487491259 1107736602 /nfs/dbraw/zinc/73/66/02/1107736602.db2.gz ZGLNPWZJWOVNTR-UHFFFAOYSA-N -1 1 363.255 4.108 20 0 FIADMM O=C(CCCSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(F)cc1 ZINC000261402873 1107763836 /nfs/dbraw/zinc/76/38/36/1107763836.db2.gz NEDNDINOOURUNA-UHFFFAOYSA-N -1 1 360.332 4.095 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2Cl)c1 ZINC000444515072 1107968881 /nfs/dbraw/zinc/96/88/81/1107968881.db2.gz KEYXCKUHDXBVQJ-UHFFFAOYSA-N -1 1 362.813 4.044 20 0 FIADMM CCOc1cc(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)cc(Cl)c1[O-] ZINC000444561065 1107989312 /nfs/dbraw/zinc/98/93/12/1107989312.db2.gz YVOUVCADVFBXFQ-ISVAXAHUSA-N -1 1 353.768 4.151 20 0 FIADMM O=C(Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1)c1cccs1 ZINC000531755811 1108121930 /nfs/dbraw/zinc/12/19/30/1108121930.db2.gz ALLTVTLYDDPOJG-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1C ZINC000531820461 1108225456 /nfs/dbraw/zinc/22/54/56/1108225456.db2.gz WBNKHEXZRNWOCW-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000531876073 1108311071 /nfs/dbraw/zinc/31/10/71/1108311071.db2.gz MXXUZXZCMWWTFT-HNNXBMFYSA-N -1 1 369.461 4.129 20 0 FIADMM CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)no1 ZINC000532012738 1108545025 /nfs/dbraw/zinc/54/50/25/1108545025.db2.gz BXOHULMHUZNPMP-UHFFFAOYSA-N -1 1 369.396 4.422 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1 ZINC000469947382 1108569098 /nfs/dbraw/zinc/56/90/98/1108569098.db2.gz JRVUNFWTHBMKTK-UHFFFAOYSA-N -1 1 370.478 4.088 20 0 FIADMM CCCc1nnc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)s1 ZINC000523821634 1108573261 /nfs/dbraw/zinc/57/32/61/1108573261.db2.gz NSURKVJBYBSHJF-UHFFFAOYSA-N -1 1 366.418 4.145 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3ccc(C)cn3)n2)cc(Cl)c1[O-] ZINC000445410706 1108720502 /nfs/dbraw/zinc/72/05/02/1108720502.db2.gz GFIIGFSCRJHLQF-VOTSOKGWSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc([C@H]3OCCc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445412877 1108722747 /nfs/dbraw/zinc/72/27/47/1108722747.db2.gz QVBDPFOZHNSQAZ-KRWDZBQOSA-N -1 1 372.808 4.156 20 0 FIADMM COc1cc(-c2noc(-c3ccc(C)s3)n2)cc(Br)c1[O-] ZINC000445395044 1108725047 /nfs/dbraw/zinc/72/50/47/1108725047.db2.gz SJLIXKZVOJZFOB-UHFFFAOYSA-N -1 1 367.224 4.250 20 0 FIADMM CCCCO[C@@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445397264 1108726654 /nfs/dbraw/zinc/72/66/54/1108726654.db2.gz FZEIFLJYRMTYHA-VIFPVBQESA-N -1 1 371.231 4.091 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3ncccc3C)n2)cc(Cl)c1[O-] ZINC000445409547 1108732781 /nfs/dbraw/zinc/73/27/81/1108732781.db2.gz ARIPCEMYXFJRBE-SREVYHEPSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccccc3OC)n2)cc(Cl)c1[O-] ZINC000445423266 1108736143 /nfs/dbraw/zinc/73/61/43/1108736143.db2.gz VPSZPQZFBHQLBO-UHFFFAOYSA-N -1 1 360.797 4.094 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc(F)c3F)n2)cc(Cl)c1[O-] ZINC000445429548 1108740989 /nfs/dbraw/zinc/74/09/89/1108740989.db2.gz DZIIUXVKUMSFMM-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(Oc4ccccc4)cn3)n2)c(Cl)c1 ZINC000445448107 1108749730 /nfs/dbraw/zinc/74/97/30/1108749730.db2.gz QMUQDHSUTDSXEP-UHFFFAOYSA-N -1 1 366.764 4.345 20 0 FIADMM COc1ccc(OCCCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445451117 1108754387 /nfs/dbraw/zinc/75/43/87/1108754387.db2.gz ARCCTZZANRWGAJ-UHFFFAOYSA-N -1 1 360.797 4.116 20 0 FIADMM COc1cc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)cc(OC)c1 ZINC000445451052 1108754479 /nfs/dbraw/zinc/75/44/79/1108754479.db2.gz ZXXIKRJCUDUXMU-UTCJRWHESA-N -1 1 358.781 4.283 20 0 FIADMM COc1ccc(SCCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445445612 1108770624 /nfs/dbraw/zinc/77/06/24/1108770624.db2.gz JQMIEJFKJMWGAN-UHFFFAOYSA-N -1 1 362.838 4.439 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(-c4ncccc4F)n3)n2)c(Cl)c1 ZINC000445445641 1108771434 /nfs/dbraw/zinc/77/14/34/1108771434.db2.gz JTKGIVSOUUCFFT-UHFFFAOYSA-N -1 1 374.784 4.420 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(Br)o3)n2)c(F)c1 ZINC000445455466 1108789730 /nfs/dbraw/zinc/78/97/30/1108789730.db2.gz PSFJBHXUGLUOBY-ZZXKWVIFSA-N -1 1 351.131 4.107 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCc4ccccn4)cc3)n2)cc1F ZINC000445477210 1108796773 /nfs/dbraw/zinc/79/67/73/1108796773.db2.gz MSKKCUCCBQKUES-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM COc1ccc2c(c1)CCC[C@H]2Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477947 1108797703 /nfs/dbraw/zinc/79/77/03/1108797703.db2.gz BGOOQQFOGMLWNT-ZDUSSCGKSA-N -1 1 354.381 4.253 20 0 FIADMM COc1ccc(-c2ncc(-c3nc(-c4ccc([O-])c(F)c4)no3)s2)cc1 ZINC000445478819 1108798125 /nfs/dbraw/zinc/79/81/25/1108798125.db2.gz IEWVGJUHEHDQPM-UHFFFAOYSA-N -1 1 369.377 4.380 20 0 FIADMM CC(C)n1cc(Br)cc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478002 1108799815 /nfs/dbraw/zinc/79/98/15/1108799815.db2.gz FOUYYOBYYRYKFJ-UHFFFAOYSA-N -1 1 366.190 4.393 20 0 FIADMM CN(c1ccccc1)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000445487917 1108807227 /nfs/dbraw/zinc/80/72/27/1108807227.db2.gz UUTQAXXAJOUTFE-UHFFFAOYSA-N -1 1 362.364 4.411 20 0 FIADMM [O-]c1ccc(-c2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)cc1F ZINC000445473454 1108812596 /nfs/dbraw/zinc/81/25/96/1108812596.db2.gz NDBKFFBIEDLRGV-UHFFFAOYSA-N -1 1 374.799 4.331 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1-c1ccc(Cl)cc1 ZINC000445476595 1108816086 /nfs/dbraw/zinc/81/60/86/1108816086.db2.gz FIYXDKOTCOONNO-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000524633083 1109106001 /nfs/dbraw/zinc/10/60/01/1109106001.db2.gz AAXCVLDRVJDBOH-UHFFFAOYSA-N -1 1 366.433 4.146 20 0 FIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(C(C)(C)C)on3)s2)c1 ZINC000524664291 1109111506 /nfs/dbraw/zinc/11/15/06/1109111506.db2.gz SAGOZERQIVZVKT-UHFFFAOYSA-N -1 1 356.451 4.360 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000469988030 1109266018 /nfs/dbraw/zinc/26/60/18/1109266018.db2.gz ZRIFZSFTLPBJHJ-UHFFFAOYSA-N -1 1 353.831 4.042 20 0 FIADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897349981 1109333892 /nfs/dbraw/zinc/33/38/92/1109333892.db2.gz WGSCCOONVXFIMO-ZYHUDNBSSA-N -1 1 353.340 4.054 20 0 FIADMM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1cc(Cl)c(Cl)cn1 ZINC000446816698 1109343854 /nfs/dbraw/zinc/34/38/54/1109343854.db2.gz GQKJWBBRDZLUGU-UHFFFAOYSA-N -1 1 369.632 4.123 20 0 FIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(Cl)c2ccccc21 ZINC000447346514 1109520546 /nfs/dbraw/zinc/52/05/46/1109520546.db2.gz XBJXPCLTCMYPIC-UHFFFAOYSA-N -1 1 369.833 4.237 20 0 FIADMM CCC(C)(C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000525948168 1109560658 /nfs/dbraw/zinc/56/06/58/1109560658.db2.gz WQGPIKRTICAZDD-UHFFFAOYSA-N -1 1 374.506 4.056 20 0 FIADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000527616240 1109787448 /nfs/dbraw/zinc/78/74/48/1109787448.db2.gz YOELJXGEEFAPRL-QMTHXVAHSA-N -1 1 355.825 4.227 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCCC12CC2 ZINC000527969095 1109878445 /nfs/dbraw/zinc/87/84/45/1109878445.db2.gz RGGCNNHBQBYRQF-GOSISDBHSA-N -1 1 370.474 4.006 20 0 FIADMM COc1cc(-c2nc(C(C)(C)c3cc(C)ccn3)no2)cc(Cl)c1[O-] ZINC000528262870 1109948605 /nfs/dbraw/zinc/94/86/05/1109948605.db2.gz NGBJOCZMTGVHAS-UHFFFAOYSA-N -1 1 359.813 4.134 20 0 FIADMM Cn1nc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c2c1CCCC2 ZINC000529540457 1110284735 /nfs/dbraw/zinc/28/47/35/1110284735.db2.gz ZKHWAVMUYUWZNC-UHFFFAOYSA-N -1 1 355.825 4.063 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1Cl ZINC000007362217 1110295908 /nfs/dbraw/zinc/29/59/08/1110295908.db2.gz JJPPNXGQWOCPAD-UHFFFAOYSA-N -1 1 366.870 4.223 20 0 FIADMM O=C(NCC1(c2cccs2)CCCCC1)c1c(F)ccc([O-])c1F ZINC000538331715 1111096539 /nfs/dbraw/zinc/09/65/39/1111096539.db2.gz WGBPFIKOVAAWLT-UHFFFAOYSA-N -1 1 351.418 4.364 20 0 FIADMM CC(C)(C)Oc1c(F)cc(NC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000538367915 1111112418 /nfs/dbraw/zinc/11/24/18/1111112418.db2.gz TVELQWYEEQLEBT-UHFFFAOYSA-N -1 1 357.303 4.378 20 0 FIADMM Cc1ccc(-c2nnc([C@@H](C)Sc3nc(C)c(C)c(=O)[n-]3)o2)cc1C ZINC000538515291 1111176035 /nfs/dbraw/zinc/17/60/35/1111176035.db2.gz RGHFUIPXYRSCQI-CYBMUJFWSA-N -1 1 356.451 4.319 20 0 FIADMM COCc1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000552022709 1111229903 /nfs/dbraw/zinc/22/99/03/1111229903.db2.gz KIAPFPHCBRQDAW-UHFFFAOYSA-N -1 1 370.630 4.207 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(C)c1 ZINC000539104941 1111435288 /nfs/dbraw/zinc/43/52/88/1111435288.db2.gz KESSSOHKEGJFJS-UHFFFAOYSA-N -1 1 359.369 4.311 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)cc1 ZINC000478711724 1111860165 /nfs/dbraw/zinc/86/01/65/1111860165.db2.gz VDHGMGCSTBHCPR-UHFFFAOYSA-N -1 1 373.453 4.150 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c(C)cc1C ZINC000478696310 1111861994 /nfs/dbraw/zinc/86/19/94/1111861994.db2.gz FHXISLWZLKSRHP-UHFFFAOYSA-N -1 1 373.478 4.043 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000552960599 1111869163 /nfs/dbraw/zinc/86/91/63/1111869163.db2.gz WGXBRGFSBSVXRS-JZXOWHBKSA-N -1 1 371.864 4.463 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1-c1ccccc1 ZINC000533946045 1111947293 /nfs/dbraw/zinc/94/72/93/1111947293.db2.gz IMBCJNMRXHIAIA-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479502382 1112048546 /nfs/dbraw/zinc/04/85/46/1112048546.db2.gz YNVAOOODVOUFPT-UHFFFAOYSA-N -1 1 350.490 4.209 20 0 FIADMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2c1C ZINC000479569687 1112068294 /nfs/dbraw/zinc/06/82/94/1112068294.db2.gz WEGMOCCNIVXYKB-UHFFFAOYSA-N -1 1 373.430 4.012 20 0 FIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3coc(C4CCCC4)n3)s2)cc1 ZINC000554658734 1112437474 /nfs/dbraw/zinc/43/74/74/1112437474.db2.gz MYMNSKPGPMCTQH-UHFFFAOYSA-N -1 1 368.462 4.335 20 0 FIADMM COC(=O)C12CCC(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)(CC1)C2 ZINC000600135144 1112904774 /nfs/dbraw/zinc/90/47/74/1112904774.db2.gz CRLJIHUHOJOZFV-UHFFFAOYSA-N -1 1 373.836 4.261 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1-c1ncco1 ZINC000481612835 1112995180 /nfs/dbraw/zinc/99/51/80/1112995180.db2.gz HPLWZUFGTJDYNP-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000555870381 1113036753 /nfs/dbraw/zinc/03/67/53/1113036753.db2.gz VMDIQLRUXCOUMD-INIZCTEOSA-N -1 1 350.340 4.173 20 0 FIADMM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000481852625 1113105437 /nfs/dbraw/zinc/10/54/37/1113105437.db2.gz SBEAOVRPSRYYEK-UHFFFAOYSA-N -1 1 364.348 4.494 20 0 FIADMM CC(C)(C)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(F)(F)F ZINC000482162250 1113187972 /nfs/dbraw/zinc/18/79/72/1113187972.db2.gz ZETWNYMPTKIEGE-NSHDSACASA-N -1 1 368.193 4.252 20 0 FIADMM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc([O-])cc1F ZINC000194418296 1113305340 /nfs/dbraw/zinc/30/53/40/1113305340.db2.gz IYDNSLDGLNIPRS-UHFFFAOYSA-N -1 1 365.229 4.404 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000482653818 1113323736 /nfs/dbraw/zinc/32/37/36/1113323736.db2.gz BJXVLQNHALUJNE-SECBINFHSA-N -1 1 370.193 4.484 20 0 FIADMM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000483175133 1113458018 /nfs/dbraw/zinc/45/80/18/1113458018.db2.gz DBQGJZQTCCSKEO-MRXNPFEDSA-N -1 1 360.251 4.440 20 0 FIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1)C1CCC1 ZINC000486090704 1113503074 /nfs/dbraw/zinc/50/30/74/1113503074.db2.gz VKBBQSVXKHHUIA-UHFFFAOYSA-N -1 1 366.442 4.018 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1Cl ZINC000486702206 1113625838 /nfs/dbraw/zinc/62/58/38/1113625838.db2.gz MYZILQRCHZKNAF-SECBINFHSA-N -1 1 358.237 4.158 20 0 FIADMM Cc1nc(CC2CC2)sc1C(=O)Nc1cccc([O-])c1Br ZINC000908709401 1113687349 /nfs/dbraw/zinc/68/73/49/1113687349.db2.gz JGGHSGDUMKOVOE-UHFFFAOYSA-N -1 1 367.268 4.124 20 0 FIADMM Cc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(-c2ccccc2)s1 ZINC000487766818 1113802182 /nfs/dbraw/zinc/80/21/82/1113802182.db2.gz BQRFNGLQSBDNPF-UHFFFAOYSA-N -1 1 370.381 4.241 20 0 FIADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)ccc1NC(=O)CC(C)C ZINC000909983012 1113804068 /nfs/dbraw/zinc/80/40/68/1113804068.db2.gz PFZGFJSHUFARJT-UHFFFAOYSA-N -1 1 362.376 4.216 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000489598005 1114141228 /nfs/dbraw/zinc/14/12/28/1114141228.db2.gz QSXJILOZHBULPM-DZGCQCFKSA-N -1 1 374.278 4.481 20 0 FIADMM COc1cc(C(=O)NCc2ccc(C(C)(F)F)cc2)cc(Cl)c1[O-] ZINC000490148403 1114218565 /nfs/dbraw/zinc/21/85/65/1114218565.db2.gz DSGXZTSQPKVKED-UHFFFAOYSA-N -1 1 355.768 4.096 20 0 FIADMM COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c([O-])c1 ZINC000031934460 1114316225 /nfs/dbraw/zinc/31/62/25/1114316225.db2.gz SRLUXJXSZHOJAJ-FQEVSTJZSA-N -1 1 358.397 4.309 20 0 FIADMM CCc1nnc([N-]C(=O)c2sc3ccccc3c2Br)s1 ZINC000571486021 1114468049 /nfs/dbraw/zinc/46/80/49/1114468049.db2.gz YIKXKVPOHNUIJR-UHFFFAOYSA-N -1 1 368.281 4.330 20 0 FIADMM CC(C)c1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000055543680 1114494729 /nfs/dbraw/zinc/49/47/29/1114494729.db2.gz LEQUJPOEVHBSQG-UHFFFAOYSA-N -1 1 358.492 4.431 20 0 FIADMM COc1ccc(Cl)cc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192970964 1114497812 /nfs/dbraw/zinc/49/78/12/1114497812.db2.gz HAHOWKXEOGFGFJ-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)cc1 ZINC000572049700 1114595819 /nfs/dbraw/zinc/59/58/19/1114595819.db2.gz WNGRDIROMSFQSD-UHFFFAOYSA-N -1 1 359.853 4.390 20 0 FIADMM O=C([N-]c1nc(-c2ccccc2)no1)c1ccc(-c2ccccc2Cl)o1 ZINC000588761441 1114618156 /nfs/dbraw/zinc/61/81/56/1114618156.db2.gz RVICEUFNJJUSST-UHFFFAOYSA-N -1 1 365.776 4.324 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000572324868 1114630876 /nfs/dbraw/zinc/63/08/76/1114630876.db2.gz KXENXTMBNSREBB-HNNXBMFYSA-N -1 1 351.352 4.463 20 0 FIADMM CC[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000590960194 1114997113 /nfs/dbraw/zinc/99/71/13/1114997113.db2.gz BJOSPQRXEZPLPB-QGZVFWFLSA-N -1 1 365.473 4.397 20 0 FIADMM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cc(F)ccc1F ZINC001212166858 1115028223 /nfs/dbraw/zinc/02/82/23/1115028223.db2.gz YAZFDPAGASIQNJ-DOMZBBRYSA-N -1 1 371.836 4.233 20 0 FIADMM C[C@H]1c2ccsc2CCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058205204 1115139207 /nfs/dbraw/zinc/13/92/07/1115139207.db2.gz XZPWQVIQWUOYKY-NSHDSACASA-N -1 1 362.549 4.231 20 0 FIADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Br)cc2Cl)C1 ZINC000168223835 1115464257 /nfs/dbraw/zinc/46/42/57/1115464257.db2.gz SYXYNRCVWSFRFI-OAHLLOKOSA-N -1 1 360.679 4.179 20 0 FIADMM CCOC(=O)[C@H](C)Cc1ccc(-c2nc3sc(C)cc3c(=O)[n-]2)cc1 ZINC000594659111 1115476294 /nfs/dbraw/zinc/47/62/94/1115476294.db2.gz BIUGDMWJQNURMC-LLVKDONJSA-N -1 1 356.447 4.114 20 0 FIADMM CC[C@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)CC(F)(F)F ZINC001212185156 1115699398 /nfs/dbraw/zinc/69/93/98/1115699398.db2.gz RVTKJWZHTULLFC-JTQLQIEISA-N -1 1 367.364 4.137 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000171598272 1115872280 /nfs/dbraw/zinc/87/22/80/1115872280.db2.gz ALQDJBPVANWTLJ-WBVHZDCISA-N -1 1 372.538 4.247 20 0 FIADMM O=C(Nc1ccc(C(=O)Nc2c([O-])cccc2F)cc1)c1cccs1 ZINC000605439226 1115895364 /nfs/dbraw/zinc/89/53/64/1115895364.db2.gz VLFQHFWZVCKNRC-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM COc1ccc(Cl)cc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000605447434 1115896120 /nfs/dbraw/zinc/89/61/20/1115896120.db2.gz CVIUFTSQGYUSFO-UHFFFAOYSA-N -1 1 350.749 4.155 20 0 FIADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000605498434 1115899129 /nfs/dbraw/zinc/89/91/29/1115899129.db2.gz SVKTWPIXBKUJGG-UHFFFAOYSA-N -1 1 356.447 4.267 20 0 FIADMM CC(C)c1nc(=NCC2(c3ccc(Cl)cc3Cl)CCOCC2)o[n-]1 ZINC000605691770 1115916143 /nfs/dbraw/zinc/91/61/43/1115916143.db2.gz CMHMCCSEAUVEPM-UHFFFAOYSA-N -1 1 370.280 4.082 20 0 FIADMM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1c(Cl)cccc1Cl ZINC000606910511 1115981795 /nfs/dbraw/zinc/98/17/95/1115981795.db2.gz QJKJUAHSVJHMGT-UHFFFAOYSA-N -1 1 360.237 4.100 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc([C@@H]4C[C@@H]4C)o3)nc2)[n-]c(=O)c1C ZINC000608080243 1116081028 /nfs/dbraw/zinc/08/10/28/1116081028.db2.gz YUZHYRGDFUWPFW-MEDUHNTESA-N -1 1 350.422 4.190 20 0 FIADMM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2c([O-])cccc2F)CC1=O ZINC000608366286 1116102511 /nfs/dbraw/zinc/10/25/11/1116102511.db2.gz HXESHKAIXBPGSD-UONOGXRCSA-N -1 1 370.424 4.036 20 0 FIADMM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3c([O-])cccc3F)c12 ZINC000608367481 1116102687 /nfs/dbraw/zinc/10/26/87/1116102687.db2.gz RRGARCYNZQUYNG-UHFFFAOYSA-N -1 1 355.369 4.150 20 0 FIADMM Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1N1CCOC1=O ZINC000174049131 1116111205 /nfs/dbraw/zinc/11/12/05/1116111205.db2.gz MTPJGNJCVMIDLS-UHFFFAOYSA-N -1 1 362.385 4.063 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(C(C)C)CC2)c1 ZINC000174380746 1116131714 /nfs/dbraw/zinc/13/17/14/1116131714.db2.gz HBEQPAZMPOWCCN-UHFFFAOYSA-N -1 1 372.538 4.201 20 0 FIADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC000646412370 1116155984 /nfs/dbraw/zinc/15/59/84/1116155984.db2.gz FQRLUHYNMOQWKL-UHFFFAOYSA-N -1 1 363.845 4.142 20 0 FIADMM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc([O-])c(F)c3F)c12 ZINC000456796890 1116216922 /nfs/dbraw/zinc/21/69/22/1116216922.db2.gz XKKNEUYBHAUSAV-UHFFFAOYSA-N -1 1 373.359 4.289 20 0 FIADMM COc1ccc(C(=O)CCCCC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456785501 1116218334 /nfs/dbraw/zinc/21/83/34/1116218334.db2.gz NHAPXCXZJHXCPM-UHFFFAOYSA-N -1 1 363.360 4.061 20 0 FIADMM CCOc1ccc(F)c([N-]C(=O)c2cnc([C@H](C)OCC)s2)c1F ZINC000534771309 1116234513 /nfs/dbraw/zinc/23/45/13/1116234513.db2.gz GNWDMYGOPXGPPT-VIFPVBQESA-N -1 1 356.394 4.170 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2oc(Br)cc2C)c(F)c1 ZINC000534803104 1116239682 /nfs/dbraw/zinc/23/96/82/1116239682.db2.gz OXWVLOXABAYCKF-UHFFFAOYSA-N -1 1 358.138 4.084 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2C)n[nH]c1-c1ccccc1 ZINC000535513989 1116314559 /nfs/dbraw/zinc/31/45/59/1116314559.db2.gz NIZMIGGJFFXBKW-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1c(F)ccc([O-])c1F ZINC000539448492 1116336877 /nfs/dbraw/zinc/33/68/77/1116336877.db2.gz VRJMEZQYOWTIGA-ZDUSSCGKSA-N -1 1 369.314 4.079 20 0 FIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(Cl)ccc4ccccc43)ccc12 ZINC000539856576 1116391434 /nfs/dbraw/zinc/39/14/34/1116391434.db2.gz RSTJFWJXSDAMKG-UHFFFAOYSA-N -1 1 371.849 4.479 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3F)o2)[n-]c1=O ZINC000470296891 1117742993 /nfs/dbraw/zinc/74/29/93/1117742993.db2.gz GOPGIKMDCNAJMX-ZRDIBKRKSA-N -1 1 368.364 4.319 20 0 FIADMM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000540256228 1117966126 /nfs/dbraw/zinc/96/61/26/1117966126.db2.gz BNIXXAREXPTUBP-UHFFFAOYSA-N -1 1 365.433 4.350 20 0 FIADMM CC(=O)c1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)c(F)c1 ZINC000540707868 1118196706 /nfs/dbraw/zinc/19/67/06/1118196706.db2.gz DAMAWUFDPVSMJT-UHFFFAOYSA-N -1 1 361.170 4.107 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1F ZINC000541007157 1118342853 /nfs/dbraw/zinc/34/28/53/1118342853.db2.gz KZKXILXVSXPXCA-UHFFFAOYSA-N -1 1 359.426 4.079 20 0 FIADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000463903223 1118366272 /nfs/dbraw/zinc/36/62/72/1118366272.db2.gz JWDHEWSDNGSDHH-JKSUJKDBSA-N -1 1 374.506 4.042 20 0 FIADMM Cc1cccc([C@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)c1 ZINC000541342011 1118479545 /nfs/dbraw/zinc/47/95/45/1118479545.db2.gz AVZZGQUCIUFJIJ-IBGZPJMESA-N -1 1 360.461 4.163 20 0 FIADMM COC(C)(C)c1nc(C)c(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)s1 ZINC000464399808 1118545308 /nfs/dbraw/zinc/54/53/08/1118545308.db2.gz RXKIXCSCCDNELF-UHFFFAOYSA-N -1 1 368.405 4.066 20 0 FIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2C1 ZINC000541588796 1118578179 /nfs/dbraw/zinc/57/81/79/1118578179.db2.gz NRDAYPPNEVTVRU-UHFFFAOYSA-N -1 1 358.507 4.220 20 0 FIADMM CC(C)CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000302051703 1118594896 /nfs/dbraw/zinc/59/48/96/1118594896.db2.gz FYIUSUGFNAYQLT-INIZCTEOSA-N -1 1 374.506 4.042 20 0 FIADMM CC(C)CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000302051704 1118594945 /nfs/dbraw/zinc/59/49/45/1118594945.db2.gz FYIUSUGFNAYQLT-MRXNPFEDSA-N -1 1 374.506 4.042 20 0 FIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000541806000 1118657172 /nfs/dbraw/zinc/65/71/72/1118657172.db2.gz JENSSIMRFGPBBK-UHFFFAOYSA-N -1 1 351.443 4.332 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1C ZINC000303488182 1118949066 /nfs/dbraw/zinc/94/90/66/1118949066.db2.gz VKQDFIAQVNOTQX-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000172884643 1118987123 /nfs/dbraw/zinc/98/71/23/1118987123.db2.gz WILUCCDOUJLVLD-UHFFFAOYSA-N -1 1 360.479 4.205 20 0 FIADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C(F)(F)F)n1 ZINC000669992333 1119352241 /nfs/dbraw/zinc/35/22/41/1119352241.db2.gz PBZWNYNGVRRLFW-UHFFFAOYSA-N -1 1 361.707 4.112 20 0 FIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccccc1F ZINC000006528720 1119451449 /nfs/dbraw/zinc/45/14/49/1119451449.db2.gz DJBDURCVCNBODC-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM C[C@H](SCC(=O)Nc1ccc([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000182876126 1119561745 /nfs/dbraw/zinc/56/17/45/1119561745.db2.gz YTUCGYPNRDNWAE-JTQLQIEISA-N -1 1 361.854 4.355 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)s1 ZINC000184749687 1119621904 /nfs/dbraw/zinc/62/19/04/1119621904.db2.gz VMNHSWKUOQMPHV-UHFFFAOYSA-N -1 1 360.414 4.488 20 0 FIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c2C1 ZINC000494552646 1119908725 /nfs/dbraw/zinc/90/87/25/1119908725.db2.gz LXJWHGHUZWCXBF-UHFFFAOYSA-N -1 1 370.518 4.090 20 0 FIADMM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000190998715 1119957544 /nfs/dbraw/zinc/95/75/44/1119957544.db2.gz XAVNWESWNQHYCB-UHFFFAOYSA-N -1 1 367.243 4.210 20 0 FIADMM O=c1nc([C@@H]2COc3ccccc3O2)[n-]c2scc(-c3ccccc3)c21 ZINC000193239049 1120117586 /nfs/dbraw/zinc/11/75/86/1120117586.db2.gz YSGVTAFRSMCOFH-INIZCTEOSA-N -1 1 362.410 4.164 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(F)c2ncccc12 ZINC000195451713 1120162114 /nfs/dbraw/zinc/16/21/14/1120162114.db2.gz OORAZXSXBFBLOS-UHFFFAOYSA-N -1 1 352.337 4.112 20 0 FIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000195640268 1120201221 /nfs/dbraw/zinc/20/12/21/1120201221.db2.gz OJWMXZBSNZLLLQ-HNNXBMFYSA-N -1 1 374.506 4.139 20 0 FIADMM CCOc1cc(C(=O)N2CCC(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000193070422 1120352180 /nfs/dbraw/zinc/35/21/80/1120352180.db2.gz KBZBITXDNPXOKI-UHFFFAOYSA-N -1 1 359.853 4.464 20 0 FIADMM CCOc1cc(C(=O)Nc2cc(Cl)ccc2OC)cc(Cl)c1[O-] ZINC000193108157 1120395975 /nfs/dbraw/zinc/39/59/75/1120395975.db2.gz XUFWPXMFYYYVJM-UHFFFAOYSA-N -1 1 356.205 4.359 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000227870075 1120405643 /nfs/dbraw/zinc/40/56/43/1120405643.db2.gz BAMDAJMOCRNESG-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)c1 ZINC000232390319 1120719230 /nfs/dbraw/zinc/71/92/30/1120719230.db2.gz XKWIYFTYRPKEEE-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)cc1 ZINC000303028351 1120725953 /nfs/dbraw/zinc/72/59/53/1120725953.db2.gz SVCJUVDSEKZYNK-ZDUSSCGKSA-N -1 1 370.478 4.094 20 0 FIADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)Cc2ccccc21 ZINC001649014587 1120823517 /nfs/dbraw/zinc/82/35/17/1120823517.db2.gz CRGFWWSJYRFNPJ-LBPRGKRZSA-N -1 1 352.821 4.353 20 0 FIADMM CC(C)CN(C(=O)c1nnc2ccccc2c1O)c1ccc(Cl)cc1 ZINC000762550886 1120927498 /nfs/dbraw/zinc/92/74/98/1120927498.db2.gz TUGPLAGIIALQKX-UHFFFAOYSA-N -1 1 355.825 4.292 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)cc2F)c1 ZINC000032450152 1120941298 /nfs/dbraw/zinc/94/12/98/1120941298.db2.gz WKFLHGRXLVCUPW-UHFFFAOYSA-N -1 1 356.426 4.002 20 0 FIADMM Cc1sc(Cl)nc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000762901026 1120992471 /nfs/dbraw/zinc/99/24/71/1120992471.db2.gz QKRBWGQVLUWUFZ-UHFFFAOYSA-N -1 1 361.648 4.134 20 0 FIADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000525012652 1121012340 /nfs/dbraw/zinc/01/23/40/1121012340.db2.gz GLAYMTAIDNRAEL-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000055227073 1121234843 /nfs/dbraw/zinc/23/48/43/1121234843.db2.gz RNUMHZWNYFAOHH-UHFFFAOYSA-N -1 1 367.405 4.042 20 0 FIADMM Cn1c2ccc(Cl)cc2nc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000915994805 1121371186 /nfs/dbraw/zinc/37/11/86/1121371186.db2.gz UPRWYMMVVDPLLB-UHFFFAOYSA-N -1 1 372.833 4.331 20 0 FIADMM [O-]c1cccc(CNCc2cc(Br)cc3c2OCC3)c1Cl ZINC000328269704 1121491967 /nfs/dbraw/zinc/49/19/67/1121491967.db2.gz WSMSTSPRPDFZHR-UHFFFAOYSA-N -1 1 368.658 4.033 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000063849334 1121591300 /nfs/dbraw/zinc/59/13/00/1121591300.db2.gz SSLYRAWLYFBEOM-UHFFFAOYSA-N -1 1 359.491 4.291 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000064621349 1121623786 /nfs/dbraw/zinc/62/37/86/1121623786.db2.gz AKSVCTIVCPHJDS-UHFFFAOYSA-N -1 1 355.463 4.076 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000125036496 1121741857 /nfs/dbraw/zinc/74/18/57/1121741857.db2.gz UDCNMYDCAPXCOZ-UHFFFAOYSA-N -1 1 371.440 4.442 20 0 FIADMM CC(C)(C)c1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000654896197 1121773153 /nfs/dbraw/zinc/77/31/53/1121773153.db2.gz HJMMMAIYPBQRAF-UHFFFAOYSA-N -1 1 365.473 4.425 20 0 FIADMM CC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000067267101 1121773204 /nfs/dbraw/zinc/77/32/04/1121773204.db2.gz MRASGQDXMWYMAL-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM CC(C)C[C@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424332 1121827782 /nfs/dbraw/zinc/82/77/82/1121827782.db2.gz KDGDGLAIRFWIBI-ZDUSSCGKSA-N -1 1 350.532 4.054 20 0 FIADMM CCCCS[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068446681 1121829176 /nfs/dbraw/zinc/82/91/76/1121829176.db2.gz WSMBVBUTUWTUKR-ZDUSSCGKSA-N -1 1 370.588 4.149 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]3c3ccc(F)cc3F)nc2)[n-]c(=O)c1C ZINC000624685204 1122103103 /nfs/dbraw/zinc/10/31/03/1122103103.db2.gz XZQGXOCMVKTDOC-DOTOQJQBSA-N -1 1 368.387 4.107 20 0 FIADMM Cc1c(=O)[n-]c(SCc2nc(C(C)C)ns2)nc1-c1ccccc1 ZINC000917469885 1122328159 /nfs/dbraw/zinc/32/81/59/1122328159.db2.gz YHZWUTCROQMTIH-UHFFFAOYSA-N -1 1 358.492 4.425 20 0 FIADMM CC(C)c1ccc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)C)cc1 ZINC000497736120 1122379812 /nfs/dbraw/zinc/37/98/12/1122379812.db2.gz MNBMYGDOSCCFNK-LJQANCHMSA-N -1 1 363.461 4.174 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)cc1 ZINC000917751547 1122427717 /nfs/dbraw/zinc/42/77/17/1122427717.db2.gz GEECPWFXJBUTND-ZDUSSCGKSA-N -1 1 362.451 4.179 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C(C)C)ccc2C)c1 ZINC000498026468 1122525521 /nfs/dbraw/zinc/52/55/21/1122525521.db2.gz IYLSSEXSEWVXSG-INIZCTEOSA-N -1 1 374.506 4.335 20 0 FIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000498020888 1122529200 /nfs/dbraw/zinc/52/92/00/1122529200.db2.gz VVTGQJXZCGAIGV-UHFFFAOYSA-N -1 1 365.455 4.057 20 0 FIADMM O=C(NCC1CCCCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000918114884 1122549494 /nfs/dbraw/zinc/54/94/94/1122549494.db2.gz SBQVSBLNAFEZNF-UHFFFAOYSA-N -1 1 372.509 4.357 20 0 FIADMM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1Cl ZINC000918164200 1122579207 /nfs/dbraw/zinc/57/92/07/1122579207.db2.gz YKRUIGMVRRJQGN-UHFFFAOYSA-N -1 1 372.824 4.019 20 0 FIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1Cl ZINC000498215982 1122630654 /nfs/dbraw/zinc/63/06/54/1122630654.db2.gz LEXYXWDFIVXZCP-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2cccc(Br)c2)CC1 ZINC000129577039 1122641276 /nfs/dbraw/zinc/64/12/76/1122641276.db2.gz IMCCSTAZJFNGES-UHFFFAOYSA-N -1 1 366.642 4.478 20 0 FIADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000132763416 1123357334 /nfs/dbraw/zinc/35/73/34/1123357334.db2.gz TUYDYDOBOYFAKA-XLIONFOSSA-N -1 1 372.490 4.171 20 0 FIADMM COc1ccc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1F ZINC000132806567 1123362752 /nfs/dbraw/zinc/36/27/52/1123362752.db2.gz TUWJVGNZDMTFRW-UHFFFAOYSA-N -1 1 356.422 4.185 20 0 FIADMM O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000132896739 1123377927 /nfs/dbraw/zinc/37/79/27/1123377927.db2.gz DZBSPFAKKQZVOX-KRWDZBQOSA-N -1 1 372.218 4.267 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc2c(c1)CCCC2 ZINC000499283498 1123407547 /nfs/dbraw/zinc/40/75/47/1123407547.db2.gz YMXIXUQQPKISIO-UHFFFAOYSA-N -1 1 354.431 4.021 20 0 FIADMM CN(Cc1ccc(Br)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920427005 1123457940 /nfs/dbraw/zinc/45/79/40/1123457940.db2.gz QAWSWLQANRINKQ-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM CCCCOc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1OC ZINC000920449358 1123458666 /nfs/dbraw/zinc/45/86/66/1123458666.db2.gz PYUQPUXUQGNUMX-UHFFFAOYSA-N -1 1 363.841 4.163 20 0 FIADMM Cc1ccc(C)c(OC2CCN(C(=O)c3c([O-])cccc3Cl)CC2)c1 ZINC000920462257 1123459712 /nfs/dbraw/zinc/45/97/12/1123459712.db2.gz AJGLPHVNUWZUNV-UHFFFAOYSA-N -1 1 359.853 4.346 20 0 FIADMM O=C(NCCOc1cccc(Cl)c1Cl)c1c([O-])cccc1Cl ZINC000920463502 1123460650 /nfs/dbraw/zinc/46/06/50/1123460650.db2.gz QRJHPSDYROGXTF-UHFFFAOYSA-N -1 1 360.624 4.161 20 0 FIADMM Cc1nc(-c2ccc(CNC(=O)c3c([O-])cccc3Cl)cc2)cs1 ZINC000920432377 1123461272 /nfs/dbraw/zinc/46/12/72/1123461272.db2.gz WINIVSKMTVWPKH-UHFFFAOYSA-N -1 1 358.850 4.408 20 0 FIADMM CCCCCCOc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000920972722 1123547722 /nfs/dbraw/zinc/54/77/22/1123547722.db2.gz PEQQUSVPWUVPKI-UHFFFAOYSA-N -1 1 356.348 4.035 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1sccc1OC(F)F ZINC000134447950 1123638180 /nfs/dbraw/zinc/63/81/80/1123638180.db2.gz ZWIULRZXYTWDEP-ONEGZZNKSA-N -1 1 369.374 4.217 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000134681361 1123660812 /nfs/dbraw/zinc/66/08/12/1123660812.db2.gz GASDUQQCLSBTCB-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM Cc1c(C(=O)/C=C/c2ccc([O-])c(Br)c2)cnn1C(C)(C)C ZINC000188870586 1123913899 /nfs/dbraw/zinc/91/38/99/1123913899.db2.gz HIKVFBARJDVTKV-FNORWQNLSA-N -1 1 363.255 4.311 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 ZINC000080940133 1123977977 /nfs/dbraw/zinc/97/79/77/1123977977.db2.gz IAINEPXRBOBJSF-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000195733670 1124024400 /nfs/dbraw/zinc/02/44/00/1124024400.db2.gz LJMIVPKWPAGRNZ-UHFFFAOYSA-N -1 1 374.487 4.373 20 0 FIADMM O=S(=O)([N-]C1(c2ccccc2Cl)CC1)c1cc2cc(F)ccc2o1 ZINC001212271647 1124044773 /nfs/dbraw/zinc/04/47/73/1124044773.db2.gz BBJGNNXSDQPKKP-UHFFFAOYSA-N -1 1 365.813 4.193 20 0 FIADMM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000542818278 1124389689 /nfs/dbraw/zinc/38/96/89/1124389689.db2.gz XXCVZZFXGDWQSV-UHFFFAOYSA-N -1 1 353.809 4.461 20 0 FIADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc3ccccc3c1[O-])CCC2 ZINC000110527705 1124753059 /nfs/dbraw/zinc/75/30/59/1124753059.db2.gz VGQHLMCOBZRFEN-KRWDZBQOSA-N -1 1 352.459 4.460 20 0 FIADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630862482 1124891255 /nfs/dbraw/zinc/89/12/55/1124891255.db2.gz BKLMBKIEBAXXPL-UWJYYQICSA-N -1 1 373.880 4.214 20 0 FIADMM O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cncc([O-])c1 ZINC000111559025 1124913309 /nfs/dbraw/zinc/91/33/09/1124913309.db2.gz UESKLKXWWGFMSL-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM CCOc1cc(C(=O)NCCCn2ccc3ccccc32)cc(Cl)c1[O-] ZINC000215974054 1125092313 /nfs/dbraw/zinc/09/23/13/1125092313.db2.gz AEYLGXYAWFMPQW-UHFFFAOYSA-N -1 1 372.852 4.219 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC)cc2)c1C ZINC000063181232 205291892 /nfs/dbraw/zinc/29/18/92/205291892.db2.gz WXPPGRWAMHBGEJ-UHFFFAOYSA-N -1 1 360.479 4.097 20 0 FIADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000051468007 567979363 /nfs/dbraw/zinc/97/93/63/567979363.db2.gz UUDJTMCEVLBBJG-KXBFYZLASA-N -1 1 359.853 4.286 20 0 FIADMM COc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1Cl ZINC000036884984 570703037 /nfs/dbraw/zinc/70/30/37/570703037.db2.gz VLLPOBKYMGLGSA-UHFFFAOYSA-N -1 1 356.603 4.069 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(-c2cccs2)n1 ZINC000053210357 1079604977 /nfs/dbraw/zinc/60/49/77/1079604977.db2.gz NLNCXXALRQNTNI-UHFFFAOYSA-N -1 1 360.445 4.235 20 0 FIADMM O=C(Nc1ccc(Br)c2ncccc12)c1ccc([O-])c(F)c1 ZINC001167053594 1079696573 /nfs/dbraw/zinc/69/65/73/1079696573.db2.gz VWVZHOTXDNQDKF-UHFFFAOYSA-N -1 1 361.170 4.094 20 0 FIADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000263094446 1125774838 /nfs/dbraw/zinc/77/48/38/1125774838.db2.gz VBKLSQMQZKGTKT-ONGXEEELSA-N -1 1 369.305 4.267 20 0 FIADMM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000153354635 1125778563 /nfs/dbraw/zinc/77/85/63/1125778563.db2.gz DKOHAYPPWHIMFF-UHFFFAOYSA-N -1 1 359.731 4.168 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(Cl)ccc2Cl)cc1 ZINC000683170774 1079797901 /nfs/dbraw/zinc/79/79/01/1079797901.db2.gz AGWJXKFYRXZEJK-MRXNPFEDSA-N -1 1 354.233 4.308 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000092605100 1079937085 /nfs/dbraw/zinc/93/70/85/1079937085.db2.gz SGTHIJXHMPYQJR-YLJYHZDGSA-N -1 1 357.425 4.040 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OCCC(C)C)c1 ZINC000655229557 1080096818 /nfs/dbraw/zinc/09/68/18/1080096818.db2.gz NRLBWWQQQGHZOB-UHFFFAOYSA-N -1 1 356.422 4.028 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1cc(C(F)(F)F)ccc1Cl ZINC000180201863 1080465619 /nfs/dbraw/zinc/46/56/19/1080465619.db2.gz UNXSTFDLTXKFKR-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(-c2cccs2)no1 ZINC000109713901 1080656951 /nfs/dbraw/zinc/65/69/51/1080656951.db2.gz NKQYVKDOBYSGSR-LURJTMIESA-N -1 1 374.369 4.166 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(-c2cccs2)no1 ZINC000109713905 1080657314 /nfs/dbraw/zinc/65/73/14/1080657314.db2.gz NKQYVKDOBYSGSR-ZCFIWIBFSA-N -1 1 374.369 4.166 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2coc(-c3cccs3)n2)[n-]1 ZINC000109713260 1080657801 /nfs/dbraw/zinc/65/78/01/1080657801.db2.gz LYJFMYVIZHEBFI-UHFFFAOYSA-N -1 1 359.354 4.210 20 0 FIADMM Cc1cnc(C2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)s1 ZINC000683349430 1080704500 /nfs/dbraw/zinc/70/45/00/1080704500.db2.gz AJLAFCHYMNCEAB-UHFFFAOYSA-N -1 1 352.459 4.330 20 0 FIADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccc(OC(F)F)cc1 ZINC000683455636 1081029641 /nfs/dbraw/zinc/02/96/41/1081029641.db2.gz XPWVOBHPZAKKBX-VIFPVBQESA-N -1 1 366.389 4.025 20 0 FIADMM CCOc1cc(-c2noc([C@@H](C)c3c(C)noc3C)n2)cc(Cl)c1[O-] ZINC000683589585 1081180740 /nfs/dbraw/zinc/18/07/40/1081180740.db2.gz VIAHADRBTRLTSH-QMMMGPOBSA-N -1 1 363.801 4.251 20 0 FIADMM O=C(Nc1c[n-][nH]c1=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC001648814303 1081217687 /nfs/dbraw/zinc/21/76/87/1081217687.db2.gz MHYFZPYVIFQHEQ-UHFFFAOYSA-N -1 1 362.414 4.158 20 0 FIADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(F)c2[O-])CC1=O ZINC001648847493 1081288926 /nfs/dbraw/zinc/28/89/26/1081288926.db2.gz QCDJZMKNZYLKIL-ZIAGYGMSSA-N -1 1 370.424 4.036 20 0 FIADMM Cc1ccccc1Oc1cc(F)cc(F)c1[N-]C(=O)c1ccc(C(N)=O)o1 ZINC001167317419 1081348771 /nfs/dbraw/zinc/34/87/71/1081348771.db2.gz BWAFABSHOTVGRW-UHFFFAOYSA-N -1 1 372.327 4.010 20 0 FIADMM CCc1nc(SCC(=O)c2ccc(Cl)c(Cl)c2)[n-]c(=O)c1C ZINC000564587507 1081782208 /nfs/dbraw/zinc/78/22/08/1081782208.db2.gz YNQHGNURPMICCI-UHFFFAOYSA-N -1 1 357.262 4.335 20 0 FIADMM O=C(Nc1ccccc1)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000089493359 1081831767 /nfs/dbraw/zinc/83/17/67/1081831767.db2.gz MAAZPPSMKNWFQZ-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM Nc1cn(-c2cc(Cl)c([O-])c(Cl)c2)c2ncc(Br)cc12 ZINC001210926795 1081854774 /nfs/dbraw/zinc/85/47/74/1081854774.db2.gz OHSQWOGFXKDYHG-UHFFFAOYSA-N -1 1 373.037 4.383 20 0 FIADMM COC(=O)c1oc2cc(Br)ccc2c1[N-]c1nccs1 ZINC001210991068 1081900318 /nfs/dbraw/zinc/90/03/18/1081900318.db2.gz UUGCCBKYWSQUPH-UHFFFAOYSA-N -1 1 353.197 4.182 20 0 FIADMM O=C([O-])c1ccccc1CC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000580466871 1081958797 /nfs/dbraw/zinc/95/87/97/1081958797.db2.gz PMXFFGBWJXJBIN-UHFFFAOYSA-N -1 1 366.486 4.449 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCc2cccc(Cl)c2C1 ZINC001299155785 1082038407 /nfs/dbraw/zinc/03/84/07/1082038407.db2.gz BPOFDVPCSIWGLX-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM Cc1ccc(OCC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000580619642 1082048894 /nfs/dbraw/zinc/04/88/94/1082048894.db2.gz PQPOJZHWNZFGEE-UHFFFAOYSA-N -1 1 370.630 4.134 20 0 FIADMM CC(C)c1csc2nc(-c3cc(Br)ncc3F)[n-]c(=O)c21 ZINC000782196800 1082086825 /nfs/dbraw/zinc/08/68/25/1082086825.db2.gz LVOXPLOPUKMCSB-UHFFFAOYSA-N -1 1 368.231 4.484 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c(C)c1 ZINC000088086053 1082146424 /nfs/dbraw/zinc/14/64/24/1082146424.db2.gz GWNTZVPLAZNQOW-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C([N-][C@H]1CCCOc2c(F)cccc21)C(F)(F)c1cc(F)cc(F)c1 ZINC001266762580 1082679033 /nfs/dbraw/zinc/67/90/33/1082679033.db2.gz INNADXCRIOFJJI-HNNXBMFYSA-N -1 1 371.305 4.226 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656769652 1082761164 /nfs/dbraw/zinc/76/11/64/1082761164.db2.gz RYTZVZGRSLHBNK-IRXDYDNUSA-N -1 1 372.292 4.400 20 0 FIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1noc2c1CCCCC2 ZINC000444253863 1082796857 /nfs/dbraw/zinc/79/68/57/1082796857.db2.gz QYPYQZXNSCNZOL-UHFFFAOYSA-N -1 1 374.853 4.368 20 0 FIADMM O=C(CC1CCC(c2ccccc2)CC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000518131433 1082976446 /nfs/dbraw/zinc/97/64/46/1082976446.db2.gz NHSGUWOXZREXAE-UHFFFAOYSA-N -1 1 352.360 4.126 20 0 FIADMM CC(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015437012 1083050693 /nfs/dbraw/zinc/05/06/93/1083050693.db2.gz BTEHMWHNGWPKPF-UHFFFAOYSA-N -1 1 366.870 4.125 20 0 FIADMM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000468114818 1083187517 /nfs/dbraw/zinc/18/75/17/1083187517.db2.gz HCMXTKKSRWCALK-LJQANCHMSA-N -1 1 352.409 4.137 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3F)s2)c(C)c1 ZINC000065085508 1083322590 /nfs/dbraw/zinc/32/25/90/1083322590.db2.gz KZLJEYAQRMPTGW-UHFFFAOYSA-N -1 1 372.381 4.122 20 0 FIADMM CC1(C(=O)[O-])CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000647377079 1083362681 /nfs/dbraw/zinc/36/26/81/1083362681.db2.gz NRGGFTLRKVUDII-UHFFFAOYSA-N -1 1 350.871 4.150 20 0 FIADMM CC(C)CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C(C)C ZINC000179502591 1083484166 /nfs/dbraw/zinc/48/41/66/1083484166.db2.gz KIWUJTWQUMQLJT-UHFFFAOYSA-N -1 1 350.459 4.246 20 0 FIADMM CO[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)c1ccccc1 ZINC000564057286 1083784842 /nfs/dbraw/zinc/78/48/42/1083784842.db2.gz YJYYVCZMYWIAAC-CQSZACIVSA-N -1 1 370.630 4.134 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H](c2ccccc2)C1 ZINC000548948766 1083950412 /nfs/dbraw/zinc/95/04/12/1083950412.db2.gz MPMKJTMVMOFJBW-AWEZNQCLSA-N -1 1 352.821 4.224 20 0 FIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cccc(Cl)c1Cl ZINC000511364427 1083991538 /nfs/dbraw/zinc/99/15/38/1083991538.db2.gz UDYYBWCGJAWPDP-UHFFFAOYSA-N -1 1 362.200 4.004 20 0 FIADMM CCC(=CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC ZINC000121268347 1084032365 /nfs/dbraw/zinc/03/23/65/1084032365.db2.gz ZWACANUATZCLTG-UHFFFAOYSA-N -1 1 358.463 4.172 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000612797104 1084085194 /nfs/dbraw/zinc/08/51/94/1084085194.db2.gz UIYQXTVUEDEHHA-UHFFFAOYSA-N -1 1 370.396 4.106 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc(F)c(F)cc1Cl ZINC000533841493 1084090867 /nfs/dbraw/zinc/09/08/67/1084090867.db2.gz GSARBEBHZCGKJT-UHFFFAOYSA-N -1 1 374.199 4.397 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccoc1C(F)(F)F ZINC000685808105 1084095005 /nfs/dbraw/zinc/09/50/05/1084095005.db2.gz AOPKPTMOQVZIFB-ARJAWSKDSA-N -1 1 355.297 4.166 20 0 FIADMM CCC1(CNC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CCC1 ZINC000084382007 1084095778 /nfs/dbraw/zinc/09/57/78/1084095778.db2.gz CLDUINKRLFTDES-UHFFFAOYSA-N -1 1 358.511 4.003 20 0 FIADMM CCc1nc(SCC2(COc3cccc(COC)c3)CC2)[n-]c(=O)c1C ZINC000582014090 1084131544 /nfs/dbraw/zinc/13/15/44/1084131544.db2.gz HAHBYPKMFSHCCW-UHFFFAOYSA-N -1 1 374.506 4.151 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2C)c1 ZINC000015950445 1084160538 /nfs/dbraw/zinc/16/05/38/1084160538.db2.gz UZDVMXDREKGBEX-UHFFFAOYSA-N -1 1 372.490 4.233 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2o1 ZINC000548996171 1084382632 /nfs/dbraw/zinc/38/26/32/1084382632.db2.gz QFUTZGYCWREGEO-UHFFFAOYSA-N -1 1 370.352 4.264 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)cc1 ZINC000224428942 1084564781 /nfs/dbraw/zinc/56/47/81/1084564781.db2.gz FPALLQVHXQCPOA-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c2)oc1C ZINC000174684362 1084811727 /nfs/dbraw/zinc/81/17/27/1084811727.db2.gz XMEAXNPVAQWCKO-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CCCCCOc1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066639808 1084837409 /nfs/dbraw/zinc/83/74/09/1084837409.db2.gz UPTAZNGKGAGION-UHFFFAOYSA-N -1 1 362.499 4.021 20 0 FIADMM CC(C)n1c(CNC(=O)c2sc3ccccc3c2Cl)n[n-]c1=S ZINC000066650242 1084867867 /nfs/dbraw/zinc/86/78/67/1084867867.db2.gz AFTMXBCATIGADP-UHFFFAOYSA-N -1 1 366.899 4.320 20 0 FIADMM CC(C)(C)c1csc(C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)n1 ZINC000175228698 1084907845 /nfs/dbraw/zinc/90/78/45/1084907845.db2.gz UCAHUDUPENHZLG-UHFFFAOYSA-N -1 1 362.470 4.305 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000685901642 1084971592 /nfs/dbraw/zinc/97/15/92/1084971592.db2.gz HGCLKXSRDLPWJX-UHFFFAOYSA-N -1 1 351.855 4.165 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000684866648 1084983539 /nfs/dbraw/zinc/98/35/39/1084983539.db2.gz UFXLMYSRAQXNTN-NXXWWENFSA-N -1 1 367.489 4.337 20 0 FIADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870194 1084996201 /nfs/dbraw/zinc/99/62/01/1084996201.db2.gz RJSOYTRDXAQCKG-CYBMUJFWSA-N -1 1 353.365 4.378 20 0 FIADMM COc1cccc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684870631 1084999731 /nfs/dbraw/zinc/99/97/31/1084999731.db2.gz GOYPAVLUHMQOSR-MRXNPFEDSA-N -1 1 365.351 4.397 20 0 FIADMM CCOc1ccc(OCC)c(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684870645 1084999937 /nfs/dbraw/zinc/99/99/37/1084999937.db2.gz HKPGIDZJPYQEFH-UHFFFAOYSA-N -1 1 369.339 4.461 20 0 FIADMM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873898 1085010566 /nfs/dbraw/zinc/01/05/66/1085010566.db2.gz NKKAZWKDRSWWEO-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876516 1085019167 /nfs/dbraw/zinc/01/91/67/1085019167.db2.gz WOSZGXACJDFCEH-OAHLLOKOSA-N -1 1 352.356 4.117 20 0 FIADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176675838 1085062326 /nfs/dbraw/zinc/06/23/26/1085062326.db2.gz HJHBNIDSBOHLHP-NWDGAFQWSA-N -1 1 364.540 4.000 20 0 FIADMM COc1ccc(CN(C)Cc2cc(Cl)c([O-])c(Cl)c2)cc1OC ZINC001140833694 1085076709 /nfs/dbraw/zinc/07/67/09/1085076709.db2.gz FUVORHZZOMYQOC-UHFFFAOYSA-N -1 1 356.249 4.348 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000152698930 1085112350 /nfs/dbraw/zinc/11/23/50/1085112350.db2.gz WUILCXGMDZDUFD-SJORKVTESA-N -1 1 370.522 4.001 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000007428318 1085387817 /nfs/dbraw/zinc/38/78/17/1085387817.db2.gz AXOXQZFYNPXNGL-UHFFFAOYSA-N -1 1 366.653 4.456 20 0 FIADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1c([O-])cnc2c(F)cccc21 ZINC001167775944 1085408690 /nfs/dbraw/zinc/40/86/90/1085408690.db2.gz SYEJNNLCXBWXHX-UHFFFAOYSA-N -1 1 354.356 4.028 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000560480421 1085417657 /nfs/dbraw/zinc/41/76/57/1085417657.db2.gz JLAKWNNFOUTAJG-UHFFFAOYSA-N -1 1 350.393 4.041 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@H](c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000431477723 1085460304 /nfs/dbraw/zinc/46/03/04/1085460304.db2.gz MUHXQIOIWPHPEV-IBGZPJMESA-N -1 1 360.461 4.245 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078294492 1085692979 /nfs/dbraw/zinc/69/29/79/1085692979.db2.gz IWUDBWBPGODBBQ-DNVCBOLYSA-N -1 1 374.488 4.140 20 0 FIADMM COc1cccc(C(F)(F)C(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC001126156877 1085900234 /nfs/dbraw/zinc/90/02/34/1085900234.db2.gz QNHRTXSXVLZNTA-UHFFFAOYSA-N -1 1 351.315 4.168 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC000040446652 1085910922 /nfs/dbraw/zinc/91/09/22/1085910922.db2.gz YQDXUOSWRUMDSW-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM CCC[C@H](CC1CCCCC1)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000511903785 1085930530 /nfs/dbraw/zinc/93/05/30/1085930530.db2.gz CVFRMVFSEPIYHZ-QGZVFWFLSA-N -1 1 372.513 4.055 20 0 FIADMM O=C([O-])[C@H]1CN(CCOc2cc(Cl)ccc2Cl)Cc2ccccc21 ZINC000652470650 1086085189 /nfs/dbraw/zinc/08/51/89/1086085189.db2.gz DQTRADXWGWXSBF-HNNXBMFYSA-N -1 1 366.244 4.056 20 0 FIADMM C[C@H](CN(Cc1nc(-c2ccccc2Cl)cs1)C1CC1)C(=O)[O-] ZINC000652488748 1086120464 /nfs/dbraw/zinc/12/04/64/1086120464.db2.gz HQHZPRXLKREZCO-LLVKDONJSA-N -1 1 350.871 4.149 20 0 FIADMM Cc1c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[nH]c1C(C)C ZINC000647278759 1086367386 /nfs/dbraw/zinc/36/73/86/1086367386.db2.gz DOUYMUISIGGNLB-UHFFFAOYSA-N -1 1 362.282 4.090 20 0 FIADMM Cc1c2c(cccc2F)sc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC001211570159 1086403692 /nfs/dbraw/zinc/40/36/92/1086403692.db2.gz RFVWCKNJUUEOMU-LBPRGKRZSA-N -1 1 369.405 4.214 20 0 FIADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000094075728 1086446126 /nfs/dbraw/zinc/44/61/26/1086446126.db2.gz DLFJDERGNGIRLO-OAHLLOKOSA-N -1 1 362.470 4.390 20 0 FIADMM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1c([O-])cccc1F ZINC000092551484 1086569080 /nfs/dbraw/zinc/56/90/80/1086569080.db2.gz ZLURWHYMYAKCJI-UHFFFAOYSA-N -1 1 350.415 4.138 20 0 FIADMM COc1cc(C(=O)N[C@H](CCc2ccccc2)C(F)F)cc(Cl)c1[O-] ZINC000628757269 1086601520 /nfs/dbraw/zinc/60/15/20/1086601520.db2.gz YPHVVJVFTGNRAY-CQSZACIVSA-N -1 1 369.795 4.051 20 0 FIADMM O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000448076716 1086799642 /nfs/dbraw/zinc/79/96/42/1086799642.db2.gz IQXIMRJVOITVSQ-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM Cc1nc([N-]S(=O)(=O)Cc2ccccc2F)ccc1-c1ccccc1 ZINC000583666511 1086905310 /nfs/dbraw/zinc/90/53/10/1086905310.db2.gz CINVBWAIRXQUHK-UHFFFAOYSA-N -1 1 356.422 4.138 20 0 FIADMM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nccs1 ZINC000151457201 1087109320 /nfs/dbraw/zinc/10/93/20/1087109320.db2.gz FQQXINBBIQQZMZ-NSHDSACASA-N -1 1 371.336 4.115 20 0 FIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1noc(-c2ccccc2)n1 ZINC000584022487 1087113142 /nfs/dbraw/zinc/11/31/42/1087113142.db2.gz RLAFOXJDXDVYNE-QMMMGPOBSA-N -1 1 350.350 4.023 20 0 FIADMM CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000151505688 1087115566 /nfs/dbraw/zinc/11/55/66/1087115566.db2.gz YBNNIPWJQGXSIV-GFCCVEGCSA-N -1 1 371.462 4.015 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c1 ZINC000151509504 1087120845 /nfs/dbraw/zinc/12/08/45/1087120845.db2.gz TYSDOYGDUMHWPR-UHFFFAOYSA-N -1 1 372.424 4.221 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1Cl ZINC000139809375 1087477355 /nfs/dbraw/zinc/47/73/55/1087477355.db2.gz LNQYKDHGPDYSNL-UHFFFAOYSA-N -1 1 369.870 4.074 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000186445929 1087685987 /nfs/dbraw/zinc/68/59/87/1087685987.db2.gz GVRHHBWUIMDWHK-GFCCVEGCSA-N -1 1 363.841 4.286 20 0 FIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000685916321 1087916004 /nfs/dbraw/zinc/91/60/04/1087916004.db2.gz MCVOLOYVZZHSSV-UHFFFAOYSA-N -1 1 369.483 4.364 20 0 FIADMM COc1cc(-c2noc(C(F)=C3CCC3)n2)cc(Br)c1[O-] ZINC000424357961 1087942990 /nfs/dbraw/zinc/94/29/90/1087942990.db2.gz NUOVFLFMOAUVCS-UHFFFAOYSA-N -1 1 355.163 4.078 20 0 FIADMM COc1cc(-c2noc([C@@H]3CCC[C@H](F)C3)n2)cc(Br)c1[O-] ZINC000424358987 1087943935 /nfs/dbraw/zinc/94/39/35/1087943935.db2.gz PNTDCZGTRYFPPP-SCZZXKLOSA-N -1 1 371.206 4.209 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H]2CC[C@H](SCC)C2)cc(Cl)c1[O-] ZINC000186840529 1088004859 /nfs/dbraw/zinc/00/48/59/1088004859.db2.gz LWBCCXTVQALOBS-STQMWFEESA-N -1 1 357.903 4.191 20 0 FIADMM CCOc1cc(C(=O)Nc2cnccc2OC(C)(C)C)cc(Cl)c1[O-] ZINC000186926720 1088048107 /nfs/dbraw/zinc/04/81/07/1088048107.db2.gz USSAQHOAAFZPOJ-UHFFFAOYSA-N -1 1 364.829 4.269 20 0 FIADMM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccc(Cl)cc1 ZINC000505293693 1088329730 /nfs/dbraw/zinc/32/97/30/1088329730.db2.gz LNEUNHOYQDUQPF-UHFFFAOYSA-N -1 1 360.822 4.328 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c(C)s1 ZINC000505319480 1088351163 /nfs/dbraw/zinc/35/11/63/1088351163.db2.gz YTXLCHGZCRZFOY-UHFFFAOYSA-N -1 1 360.460 4.353 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000178759423 1088673774 /nfs/dbraw/zinc/67/37/74/1088673774.db2.gz CTFVPLCQJUTZJR-UHFFFAOYSA-N -1 1 371.462 4.011 20 0 FIADMM COc1ccc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)cc1 ZINC000180475704 1088773987 /nfs/dbraw/zinc/77/39/87/1088773987.db2.gz SMTAIKAOEYPOOD-CYBMUJFWSA-N -1 1 365.351 4.049 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](c2ccccc2)O1 ZINC000180435577 1088775440 /nfs/dbraw/zinc/77/54/40/1088775440.db2.gz GOOZADCNDCKHLI-PXAZEXFGSA-N -1 1 365.351 4.013 20 0 FIADMM COc1ccc(CCCN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000180426206 1088776023 /nfs/dbraw/zinc/77/60/23/1088776023.db2.gz SDNWUBHEXGLGBI-UHFFFAOYSA-N -1 1 367.367 4.124 20 0 FIADMM Cc1nnc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])c2)o1 ZINC000180600185 1088781551 /nfs/dbraw/zinc/78/15/51/1088781551.db2.gz XPZMFUJYONRPGP-UHFFFAOYSA-N -1 1 363.295 4.022 20 0 FIADMM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000613663781 1089238826 /nfs/dbraw/zinc/23/88/26/1089238826.db2.gz GRKFIZYFTXIQLH-UHFFFAOYSA-N -1 1 365.433 4.097 20 0 FIADMM C[C@@H]1CCc2c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)csc2C1 ZINC000613665799 1089253756 /nfs/dbraw/zinc/25/37/56/1089253756.db2.gz XHWJCOAPIRFBNE-LLVKDONJSA-N -1 1 353.447 4.221 20 0 FIADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000613666805 1089261663 /nfs/dbraw/zinc/26/16/63/1089261663.db2.gz GVPYTOKUMZZZHJ-LRDDRELGSA-N -1 1 351.406 4.070 20 0 FIADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000613666804 1089262094 /nfs/dbraw/zinc/26/20/94/1089262094.db2.gz GVPYTOKUMZZZHJ-BLLLJJGKSA-N -1 1 351.406 4.070 20 0 FIADMM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613668397 1089267881 /nfs/dbraw/zinc/26/78/81/1089267881.db2.gz OTIYMOYSSYBITF-AWEZNQCLSA-N -1 1 365.433 4.312 20 0 FIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 ZINC000460426740 1089360373 /nfs/dbraw/zinc/36/03/73/1089360373.db2.gz KYOLWYGYDSQUIO-UHFFFAOYSA-N -1 1 369.421 4.028 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2c(F)cccc2Br)[n-]1 ZINC000514694872 1089378079 /nfs/dbraw/zinc/37/80/79/1089378079.db2.gz OUTXIGBDQAXYAI-UHFFFAOYSA-N -1 1 365.174 4.314 20 0 FIADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000435186711 1089399844 /nfs/dbraw/zinc/39/98/44/1089399844.db2.gz FKCYQGHHKWPUSK-UHFFFAOYSA-N -1 1 363.442 4.041 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1 ZINC000032097589 1089444704 /nfs/dbraw/zinc/44/47/04/1089444704.db2.gz JPICJIWUYFIZLN-UHFFFAOYSA-N -1 1 360.435 4.151 20 0 FIADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc(Cl)cc(Br)c1 ZINC000514797971 1089484918 /nfs/dbraw/zinc/48/49/18/1089484918.db2.gz FXVWKPPRMBYRNH-BFVZDQMLSA-N -1 1 360.679 4.176 20 0 FIADMM O=S(=O)([N-][C@H]1CCCc2occc21)c1c(Cl)cc(F)cc1Cl ZINC000435427457 1089644663 /nfs/dbraw/zinc/64/46/63/1089644663.db2.gz MCMHSGXVOCOOCX-LBPRGKRZSA-N -1 1 364.225 4.081 20 0 FIADMM Cc1cc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c(Cl)cc1F ZINC000515095126 1089778194 /nfs/dbraw/zinc/77/81/94/1089778194.db2.gz DIZVNNPXLSHAHB-UHFFFAOYSA-N -1 1 362.760 4.196 20 0 FIADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000515119416 1089796810 /nfs/dbraw/zinc/79/68/10/1089796810.db2.gz RLBNGYBXKKMUBH-UHFFFAOYSA-N -1 1 363.504 4.189 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3C[C@H](c4cccc(F)c4)C3)nc2)[n-]c(=O)c1C ZINC000435599257 1089806026 /nfs/dbraw/zinc/80/60/26/1089806026.db2.gz VUFVNGYLZZDDQW-SAABIXHNSA-N -1 1 364.424 4.358 20 0 FIADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN(C)[C@H](C)C(=O)[O-] ZINC000515312304 1089964535 /nfs/dbraw/zinc/96/45/35/1089964535.db2.gz JGIVYENIEXUPLY-SNVBAGLBSA-N -1 1 358.385 4.042 20 0 FIADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC000515344757 1089975132 /nfs/dbraw/zinc/97/51/32/1089975132.db2.gz ZDKDYMIEZQEXRR-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c(Cl)c1 ZINC000180273061 1090182782 /nfs/dbraw/zinc/18/27/82/1090182782.db2.gz LMXUHPCZYHPUSB-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1 ZINC000584677538 1090699165 /nfs/dbraw/zinc/69/91/65/1090699165.db2.gz FQZIIPLUJVBODS-UHFFFAOYSA-N -1 1 374.506 4.011 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(C)cc3Br)no2)c([O-])c1 ZINC000318996774 1090874104 /nfs/dbraw/zinc/87/41/04/1090874104.db2.gz UJSPYERQJYQPLQ-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM CC(C)=CCSC[C@@H](NCc1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000417604501 1090936647 /nfs/dbraw/zinc/93/66/47/1090936647.db2.gz BSONOKDEAIJWIG-MRXNPFEDSA-N -1 1 362.520 4.052 20 0 FIADMM CCCOc1c(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cccc1OCC ZINC000417623741 1090942756 /nfs/dbraw/zinc/94/27/56/1090942756.db2.gz PPEIHHXWRUMSTL-OALUTQOASA-N -1 1 369.461 4.277 20 0 FIADMM Cc1oc2ccccc2c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364172729 1090997668 /nfs/dbraw/zinc/99/76/68/1090997668.db2.gz YUMVENRMTYWNRK-UHFFFAOYSA-N -1 1 363.413 4.182 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1 ZINC000024956612 1091077236 /nfs/dbraw/zinc/07/72/36/1091077236.db2.gz LIKLSBAOWPCVGG-UHFFFAOYSA-N -1 1 372.490 4.128 20 0 FIADMM Cc1cc(C)cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000043274801 1091215174 /nfs/dbraw/zinc/21/51/74/1091215174.db2.gz TVPHJPHYTHYSTL-UHFFFAOYSA-N -1 1 352.434 4.136 20 0 FIADMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000511696607 1091535500 /nfs/dbraw/zinc/53/55/00/1091535500.db2.gz CLYZKIJIRSTCEC-UHFFFAOYSA-N -1 1 373.405 4.427 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)c(C)c1 ZINC000511696547 1091535803 /nfs/dbraw/zinc/53/58/03/1091535803.db2.gz XWWBHVWWQWRYBU-UHFFFAOYSA-N -1 1 372.421 4.431 20 0 FIADMM COC(=O)Cc1ccc(-c2nc3sc(C(C)(C)C)cc3c(=O)[n-]2)cc1C ZINC000543870282 1091672706 /nfs/dbraw/zinc/67/27/06/1091672706.db2.gz XNEODXZAQCFCCZ-UHFFFAOYSA-N -1 1 370.474 4.385 20 0 FIADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(Br)c1 ZINC000391237368 1091853228 /nfs/dbraw/zinc/85/32/28/1091853228.db2.gz AAPPNXCIJYJHQD-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(-c3ccsc3)s2)[n-]c1=O ZINC000432702232 1092155725 /nfs/dbraw/zinc/15/57/25/1092155725.db2.gz FXZKLYSCSFJRER-UXBLZVDNSA-N -1 1 373.459 4.104 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2cc(C)c(Cl)c(C)c2)c(=O)[n-]1 ZINC000441868692 1092299526 /nfs/dbraw/zinc/29/95/26/1092299526.db2.gz NXCBLCNLZFARJY-UHFFFAOYSA-N -1 1 365.886 4.054 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3nc(-c4ccccc4)oc3C)[nH][n-]2)s1 ZINC000500855671 1092642047 /nfs/dbraw/zinc/64/20/47/1092642047.db2.gz BOYISBKNJZWRQH-UHFFFAOYSA-N -1 1 364.430 4.084 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cc(Cl)sc3Cl)[nH][n-]2)s1 ZINC000500857718 1092648880 /nfs/dbraw/zinc/64/88/80/1092648880.db2.gz KKZUIMGXILVNHC-UHFFFAOYSA-N -1 1 358.275 4.489 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1-c1ccc(F)cc1F ZINC000521533193 1092741396 /nfs/dbraw/zinc/74/13/96/1092741396.db2.gz XYWNOAPOWLQGRW-UHFFFAOYSA-N -1 1 372.306 4.021 20 0 FIADMM O=C(Nc1nc(-c2ccccc2)cs1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000473360128 1092759910 /nfs/dbraw/zinc/75/99/10/1092759910.db2.gz KFCJSEVOTCLAIT-UHFFFAOYSA-N -1 1 374.425 4.017 20 0 FIADMM O=C([N-]c1cc(-c2cccc(Cl)c2)on1)c1ncsc1C(F)(F)F ZINC000549774865 1092763523 /nfs/dbraw/zinc/76/35/23/1092763523.db2.gz YXKNVZGHPMDYOA-UHFFFAOYSA-N -1 1 373.743 4.145 20 0 FIADMM COc1cc(C(=O)N2CCC(OC3CCCCC3)CC2)cc(Cl)c1[O-] ZINC000442941666 1092877129 /nfs/dbraw/zinc/87/71/29/1092877129.db2.gz IZTAGKPHHXASTD-UHFFFAOYSA-N -1 1 367.873 4.008 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000442945007 1092878294 /nfs/dbraw/zinc/87/82/94/1092878294.db2.gz PFUWIGVHIRTUIF-GOEBONIOSA-N -1 1 359.853 4.195 20 0 FIADMM COc1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000442944853 1092878864 /nfs/dbraw/zinc/87/88/64/1092878864.db2.gz NJCJYODAJYWEPE-INIZCTEOSA-N -1 1 359.853 4.292 20 0 FIADMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442972989 1092900254 /nfs/dbraw/zinc/90/02/54/1092900254.db2.gz ZVJRMLGRHNUAHA-AWEZNQCLSA-N -1 1 368.260 4.459 20 0 FIADMM COc1cc(C(=O)N[C@H](c2cccc(C)c2)C(F)(F)F)cc(Cl)c1[O-] ZINC000443124282 1092954585 /nfs/dbraw/zinc/95/45/85/1092954585.db2.gz RNCPMSGZCGAMQH-OAHLLOKOSA-N -1 1 373.758 4.396 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(NC(C)=O)cc3)no2)cc(Cl)c1[O-] ZINC000443197024 1092987557 /nfs/dbraw/zinc/98/75/57/1092987557.db2.gz MSFADMFWRWMFGI-UHFFFAOYSA-N -1 1 373.796 4.120 20 0 FIADMM COc1cc(-c2nc(-c3ccc4ncccc4c3)no2)cc(Cl)c1[O-] ZINC000443207807 1092992688 /nfs/dbraw/zinc/99/26/88/1092992688.db2.gz KTXVEZWJLNJUBM-UHFFFAOYSA-N -1 1 353.765 4.319 20 0 FIADMM COc1cc(-c2noc([C@H]3CC34CCCC4)n2)cc(Br)c1[O-] ZINC000521967442 1092999652 /nfs/dbraw/zinc/99/96/52/1092999652.db2.gz QAGDIQXWZFRBRE-SNVBAGLBSA-N -1 1 365.227 4.261 20 0 FIADMM COc1cc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443289790 1093035803 /nfs/dbraw/zinc/03/58/03/1093035803.db2.gz NWLNOOOWXSGJSI-KOLCDFICSA-N -1 1 365.779 4.153 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c(OC)c1 ZINC000443415839 1093109449 /nfs/dbraw/zinc/10/94/49/1093109449.db2.gz GXDDSPZUMBKLEX-UHFFFAOYSA-N -1 1 363.479 4.047 20 0 FIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc21 ZINC000191226105 1093121178 /nfs/dbraw/zinc/12/11/78/1093121178.db2.gz ROADHDLYNXXILY-UHFFFAOYSA-N -1 1 374.220 4.062 20 0 FIADMM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1F ZINC000443461235 1093165776 /nfs/dbraw/zinc/16/57/76/1093165776.db2.gz MTHXWOVFNRYRBC-UHFFFAOYSA-N -1 1 360.410 4.152 20 0 FIADMM CSc1cc(Br)ccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000665342465 1093213250 /nfs/dbraw/zinc/21/32/50/1093213250.db2.gz AMJFETNVJAJJGE-UHFFFAOYSA-N -1 1 372.328 4.248 20 0 FIADMM [O-]c1cccc(CNCc2nn(-c3ccccc3)c3c2CCC3)c1Cl ZINC000645146701 1093235759 /nfs/dbraw/zinc/23/57/59/1093235759.db2.gz DQFACILGXPCZHE-UHFFFAOYSA-N -1 1 353.853 4.010 20 0 FIADMM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000094014984 1093266024 /nfs/dbraw/zinc/26/60/24/1093266024.db2.gz SEDVOLBRPCQDQN-UHFFFAOYSA-N -1 1 364.376 4.344 20 0 FIADMM O=C(c1cscc1C(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000895562814 1093602792 /nfs/dbraw/zinc/60/27/92/1093602792.db2.gz WLAHYKMWYDHUCD-UHFFFAOYSA-N -1 1 365.401 4.126 20 0 FIADMM CCOc1cc(-c2noc(-c3cnc(CC)s3)n2)cc(Cl)c1[O-] ZINC000576338735 1093748249 /nfs/dbraw/zinc/74/82/49/1093748249.db2.gz HHILTFABZIPFRT-UHFFFAOYSA-N -1 1 351.815 4.180 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c1 ZINC000433490413 1093845046 /nfs/dbraw/zinc/84/50/46/1093845046.db2.gz WMBDALKGYFQUSA-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM Cn1c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)nc2cc(Cl)ccc21 ZINC000261436298 1093989313 /nfs/dbraw/zinc/98/93/13/1093989313.db2.gz WWJDIJXGKVPYCK-UHFFFAOYSA-N -1 1 374.775 4.033 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000474820752 1094670196 /nfs/dbraw/zinc/67/01/96/1094670196.db2.gz HYTZXBWXFBHKAZ-UHFFFAOYSA-N -1 1 369.509 4.274 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000501658172 1094843702 /nfs/dbraw/zinc/84/37/02/1094843702.db2.gz ZGBVMESVHWNPQV-CQSZACIVSA-N -1 1 369.509 4.273 20 0 FIADMM CCOc1cc(C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000501727303 1094897190 /nfs/dbraw/zinc/89/71/90/1094897190.db2.gz WUTXMQABRRVMKX-YWZLYKJASA-N -1 1 359.853 4.368 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@H](CC(F)(F)F)C3)nc2)[n-]c(=O)c1C ZINC000420627927 1095013475 /nfs/dbraw/zinc/01/34/75/1095013475.db2.gz NTLAFWSTBMXPDD-ZDUSSCGKSA-N -1 1 366.387 4.030 20 0 FIADMM CCCCN(C)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000501960423 1095023922 /nfs/dbraw/zinc/02/39/22/1095023922.db2.gz UUSVOOBSGXEABL-UHFFFAOYSA-N -1 1 364.449 4.271 20 0 FIADMM C[C@]1(Cc2ccc(F)cc2)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000420933501 1095175110 /nfs/dbraw/zinc/17/51/10/1095175110.db2.gz WBWFXTJJIWXKLG-LJQANCHMSA-N -1 1 357.454 4.133 20 0 FIADMM CC(C)CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000036703484 1095198995 /nfs/dbraw/zinc/19/89/95/1095198995.db2.gz MRIAKTCLDICZSC-MRXNPFEDSA-N -1 1 374.506 4.042 20 0 FIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1 ZINC000522628839 1095208168 /nfs/dbraw/zinc/20/81/68/1095208168.db2.gz MFBGUSNVYYALMV-UHFFFAOYSA-N -1 1 374.506 4.425 20 0 FIADMM Cc1cccnc1[C@@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)C(C)C ZINC000280897721 1095452766 /nfs/dbraw/zinc/45/27/66/1095452766.db2.gz DPKLNRQCAAECMD-IBGZPJMESA-N -1 1 372.852 4.342 20 0 FIADMM Cc1cccnc1[C@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)C(C)C ZINC000280897728 1095453127 /nfs/dbraw/zinc/45/31/27/1095453127.db2.gz DPKLNRQCAAECMD-LJQANCHMSA-N -1 1 372.852 4.342 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000502686408 1095715600 /nfs/dbraw/zinc/71/56/00/1095715600.db2.gz JXPGUPLZOPYBNP-MEYUZBJRSA-N -1 1 363.417 4.241 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1Cl ZINC000509541100 1095748342 /nfs/dbraw/zinc/74/83/42/1095748342.db2.gz LJQMBXZAVDMTDL-UHFFFAOYSA-N -1 1 374.245 4.005 20 0 FIADMM O=C(c1cnc(C2CC2)[n-]c1=O)N(CCCc1ccccc1)c1ccccc1 ZINC000909561798 1095788578 /nfs/dbraw/zinc/78/85/78/1095788578.db2.gz HCSBVSMOKCDQFJ-UHFFFAOYSA-N -1 1 373.456 4.339 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(OC(F)F)c1)c1ccc(F)c(F)c1 ZINC000504019321 1096639128 /nfs/dbraw/zinc/63/91/28/1096639128.db2.gz GIHORBFXFYSETD-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM CCCN(CC)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000504074990 1096655263 /nfs/dbraw/zinc/65/52/63/1096655263.db2.gz JVJBAJDKANDSJH-UHFFFAOYSA-N -1 1 364.449 4.271 20 0 FIADMM C[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1F ZINC000504429697 1096778589 /nfs/dbraw/zinc/77/85/89/1096778589.db2.gz VMSYFMQFFVZXBU-LLVKDONJSA-N -1 1 357.360 4.193 20 0 FIADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435950444 1098578153 /nfs/dbraw/zinc/57/81/53/1098578153.db2.gz WEHGTDNGCRKDPS-ZDUSSCGKSA-N -1 1 366.383 4.208 20 0 FIADMM COc1cc(C(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000505760355 1098757605 /nfs/dbraw/zinc/75/76/05/1098757605.db2.gz QFLZELQRQTVUFK-XTZNXHDOSA-N -1 1 366.244 4.373 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1C ZINC000515629885 1098777757 /nfs/dbraw/zinc/77/77/57/1098777757.db2.gz QNIXUJMANIIVLC-UHFFFAOYSA-N -1 1 374.487 4.236 20 0 FIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc4[nH]ccc4cc3C)cc2)co1 ZINC000436161627 1098778819 /nfs/dbraw/zinc/77/88/19/1098778819.db2.gz LPNHCTKEMPXMEC-UHFFFAOYSA-N -1 1 367.430 4.241 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000515632837 1098780003 /nfs/dbraw/zinc/78/00/03/1098780003.db2.gz DMZAKKALRBZUMW-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000436169787 1098787999 /nfs/dbraw/zinc/78/79/99/1098787999.db2.gz BLGNSPLVLCTSQW-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)n1 ZINC000436202276 1098810732 /nfs/dbraw/zinc/81/07/32/1098810732.db2.gz DNOLJZSHXLMEJV-SECBINFHSA-N -1 1 356.369 4.127 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000436483800 1099061013 /nfs/dbraw/zinc/06/10/13/1099061013.db2.gz CQQWMDWHJQCQAL-UHFFFAOYSA-N -1 1 351.780 4.286 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c([O-])c1 ZINC000436515051 1099074443 /nfs/dbraw/zinc/07/44/43/1099074443.db2.gz TZQJJFUOKGENKM-UHFFFAOYSA-N -1 1 373.302 4.123 20 0 FIADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])c1nc(-c2ccccc2)no1 ZINC000436527492 1099083137 /nfs/dbraw/zinc/08/31/37/1099083137.db2.gz LNINXXWEASFLFS-AWEZNQCLSA-N -1 1 373.412 4.129 20 0 FIADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436529491 1099085308 /nfs/dbraw/zinc/08/53/08/1099085308.db2.gz RUFXDHCOJSWBDR-UHFFFAOYSA-N -1 1 352.434 4.425 20 0 FIADMM Cc1occc1C(=O)Nc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1F ZINC000436533057 1099089232 /nfs/dbraw/zinc/08/92/32/1099089232.db2.gz ZDCOJSMAWQHMRC-UHFFFAOYSA-N -1 1 372.327 4.076 20 0 FIADMM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436551801 1099098778 /nfs/dbraw/zinc/09/87/78/1099098778.db2.gz ABBOFVCXDCGBOY-UHFFFAOYSA-N -1 1 354.450 4.215 20 0 FIADMM O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436537945 1099103179 /nfs/dbraw/zinc/10/31/79/1099103179.db2.gz HBIKAFPCBNSNOG-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c([O-])c1 ZINC000436544883 1099110026 /nfs/dbraw/zinc/11/00/26/1099110026.db2.gz ABCNOUNRRBRTAP-DEOSSOPVSA-N -1 1 365.882 4.300 20 0 FIADMM O=C(Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1)c1ccccc1 ZINC000436565771 1099116904 /nfs/dbraw/zinc/11/69/04/1099116904.db2.gz WBBQUKATDVYHHL-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c([O-])c1 ZINC000436571551 1099121807 /nfs/dbraw/zinc/12/18/07/1099121807.db2.gz WCIKVCZUNLRGPN-UHFFFAOYSA-N -1 1 364.401 4.457 20 0 FIADMM CCc1nnc(-c2cccc(NC(=O)c3ccc(C(C)C)cc3[O-])c2)o1 ZINC000436574457 1099123848 /nfs/dbraw/zinc/12/38/48/1099123848.db2.gz LZKOUUQGKFMGBA-UHFFFAOYSA-N -1 1 351.406 4.380 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCSC2(CCCCC2)C1 ZINC000436581368 1099132402 /nfs/dbraw/zinc/13/24/02/1099132402.db2.gz ATDVPDQVWGYSFJ-UHFFFAOYSA-N -1 1 370.312 4.047 20 0 FIADMM CCc1nc(-c2ccccc2NC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000436604662 1099140256 /nfs/dbraw/zinc/14/02/56/1099140256.db2.gz JHSSJJBANZLAKH-UHFFFAOYSA-N -1 1 358.401 4.145 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000436611523 1099145552 /nfs/dbraw/zinc/14/55/52/1099145552.db2.gz WLPGGBOTHJVPHT-SFHVURJKSA-N -1 1 371.440 4.200 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000436653284 1099177013 /nfs/dbraw/zinc/17/70/13/1099177013.db2.gz AYEYQYLAAWHDAK-UHFFFAOYSA-N -1 1 361.228 4.379 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc2ccccc2cc1[O-] ZINC000436662214 1099193141 /nfs/dbraw/zinc/19/31/41/1099193141.db2.gz ILXXNZKLSHNKQX-JOCHJYFZSA-N -1 1 354.409 4.460 20 0 FIADMM CCC[C@@H]1C[C@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436660521 1099208338 /nfs/dbraw/zinc/20/83/38/1099208338.db2.gz VSTHKSLHBMNRGM-PSASIEDQSA-N -1 1 353.216 4.117 20 0 FIADMM CCOc1c(Cl)cc(-c2noc(-c3ccc([O-])cc3F)n2)cc1OC ZINC000436688309 1099221816 /nfs/dbraw/zinc/22/18/16/1099221816.db2.gz LADSNXLJSVZXRS-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc([O-])cc4F)n3)c2)n1 ZINC000436690026 1099222504 /nfs/dbraw/zinc/22/25/04/1099222504.db2.gz PYFUDFVOQPVCGL-UHFFFAOYSA-N -1 1 364.380 4.110 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1OCCc2sccc21 ZINC000436690818 1099223534 /nfs/dbraw/zinc/22/35/34/1099223534.db2.gz VVFSDBHASXQAEQ-CWTRNNRKSA-N -1 1 353.443 4.039 20 0 FIADMM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)C1 ZINC000436691531 1099224300 /nfs/dbraw/zinc/22/43/00/1099224300.db2.gz YRQHCDZNDYEZSB-YWZLYKJASA-N -1 1 367.445 4.309 20 0 FIADMM O=C(C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1)c1ccc([O-])cc1 ZINC000436699334 1099233464 /nfs/dbraw/zinc/23/34/64/1099233464.db2.gz UJSWHQZHUHPJNX-UHFFFAOYSA-N -1 1 364.228 4.073 20 0 FIADMM Cc1cccc(C2=CCN(C(=O)c3cc(Br)ccc3[O-])CC2)c1 ZINC000436700595 1099234515 /nfs/dbraw/zinc/23/45/15/1099234515.db2.gz WVCHLUVIHSJGEE-UHFFFAOYSA-N -1 1 372.262 4.393 20 0 FIADMM CCC(CC)c1nnc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)s1 ZINC000436737169 1099256461 /nfs/dbraw/zinc/25/64/61/1099256461.db2.gz IDWCEJHEINOESW-UHFFFAOYSA-N -1 1 355.847 4.062 20 0 FIADMM C[C@@H](CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436735625 1099257283 /nfs/dbraw/zinc/25/72/83/1099257283.db2.gz GWTBQKYFJITDHB-IRXDYDNUSA-N -1 1 363.457 4.172 20 0 FIADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000436727801 1099265971 /nfs/dbraw/zinc/26/59/71/1099265971.db2.gz CONCXINKKQIWEE-CYBMUJFWSA-N -1 1 352.365 4.210 20 0 FIADMM O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(F)ccc1[O-] ZINC000436757986 1099271539 /nfs/dbraw/zinc/27/15/39/1099271539.db2.gz WYYUPUYDCVOUCK-UHFFFAOYSA-N -1 1 354.406 4.471 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c([O-])c1 ZINC000436760011 1099273570 /nfs/dbraw/zinc/27/35/70/1099273570.db2.gz KFZRNSDRWXNLQK-UHFFFAOYSA-N -1 1 360.841 4.123 20 0 FIADMM C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436759583 1099275038 /nfs/dbraw/zinc/27/50/38/1099275038.db2.gz CBRBYICOTKNULQ-SNVBAGLBSA-N -1 1 352.203 4.127 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c([O-])c1 ZINC000436760779 1099275467 /nfs/dbraw/zinc/27/54/67/1099275467.db2.gz FJYQRYIUYBPBFK-UHFFFAOYSA-N -1 1 350.374 4.186 20 0 FIADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436761905 1099277581 /nfs/dbraw/zinc/27/75/81/1099277581.db2.gz AZSXYSAMCQAPKH-LLVKDONJSA-N -1 1 353.340 4.253 20 0 FIADMM Cc1cnc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C2CC2)s1 ZINC000436750581 1099285327 /nfs/dbraw/zinc/28/53/27/1099285327.db2.gz GWQOICDJMYABNT-ZDUSSCGKSA-N -1 1 356.369 4.057 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1Cc1ccccc1 ZINC000436754450 1099289838 /nfs/dbraw/zinc/28/98/38/1099289838.db2.gz HKPSFMQXFZUNRR-HNNXBMFYSA-N -1 1 360.251 4.002 20 0 FIADMM CCC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436764776 1099303739 /nfs/dbraw/zinc/30/37/39/1099303739.db2.gz NGXQICQZEHNFJS-UHFFFAOYSA-N -1 1 352.312 4.012 20 0 FIADMM COCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H](C)c1ccccc1 ZINC000436764531 1099304548 /nfs/dbraw/zinc/30/45/48/1099304548.db2.gz RRMKEGSCZAHVJC-CYBMUJFWSA-N -1 1 367.367 4.261 20 0 FIADMM O=C(Nc1cccc(-c2cnco2)c1)c1cc(Br)ccc1[O-] ZINC000436785664 1099317230 /nfs/dbraw/zinc/31/72/30/1099317230.db2.gz PYMHSDLILWFUES-UHFFFAOYSA-N -1 1 359.179 4.062 20 0 FIADMM CO[C@@H](C)c1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436795053 1099327235 /nfs/dbraw/zinc/32/72/35/1099327235.db2.gz XHQPYKHFVMLCIS-JTQLQIEISA-N -1 1 350.212 4.114 20 0 FIADMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436804503 1099333331 /nfs/dbraw/zinc/33/33/31/1099333331.db2.gz BMDKPRSKKWMMTK-GFCCVEGCSA-N -1 1 364.367 4.144 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1noc(Cc2ccccc2)n1 ZINC000436804455 1099333540 /nfs/dbraw/zinc/33/35/40/1099333540.db2.gz BCTPHRUVYBFNQB-AWEZNQCLSA-N -1 1 373.412 4.010 20 0 FIADMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436805806 1099334649 /nfs/dbraw/zinc/33/46/49/1099334649.db2.gz GCSUSFONVJCYPZ-UHFFFAOYSA-N -1 1 354.233 4.240 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1-c1c(F)cccc1F ZINC000436830105 1099341560 /nfs/dbraw/zinc/34/15/60/1099341560.db2.gz NIPYABSCMNGQPR-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436824672 1099351694 /nfs/dbraw/zinc/35/16/94/1099351694.db2.gz AFROMAACKLBIAA-UHFFFAOYSA-N -1 1 373.758 4.259 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000436849421 1099367610 /nfs/dbraw/zinc/36/76/10/1099367610.db2.gz ZNVYMNDNFAWUQJ-CQSZACIVSA-N -1 1 351.830 4.192 20 0 FIADMM Cc1ccccc1-n1nc(C(=O)Nc2ccc([O-])c(Cl)c2)c2c1CCC2 ZINC000436864294 1099374137 /nfs/dbraw/zinc/37/41/37/1099374137.db2.gz NHXQWVMUKMAWDY-UHFFFAOYSA-N -1 1 367.836 4.281 20 0 FIADMM CC(C)(Cc1nc2ccccc2[nH]1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436873544 1099386158 /nfs/dbraw/zinc/38/61/58/1099386158.db2.gz QDWRVDRMCSMADS-UHFFFAOYSA-N -1 1 368.824 4.492 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCC(F)(F)F)cn3)n2)c(Cl)c1 ZINC000436876135 1099388462 /nfs/dbraw/zinc/38/84/62/1099388462.db2.gz ZWLKGMZDOYYURG-UHFFFAOYSA-N -1 1 371.702 4.099 20 0 FIADMM Cn1c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2nc1C(F)F ZINC000436878246 1099393499 /nfs/dbraw/zinc/39/34/99/1099393499.db2.gz JDLUSTHXFFTFBJ-UHFFFAOYSA-N -1 1 360.295 4.073 20 0 FIADMM CCOc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])c(F)c4)no3)c21 ZINC000436878240 1099394328 /nfs/dbraw/zinc/39/43/28/1099394328.db2.gz JCMFKRMBBJBVQS-UHFFFAOYSA-N -1 1 353.353 4.052 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccccc3OCc3cscn3)n2)cc1F ZINC000436878577 1099395935 /nfs/dbraw/zinc/39/59/35/1099395935.db2.gz KEWFRUJQJIDTAY-UHFFFAOYSA-N -1 1 369.377 4.284 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4cc[nH]c4n3)n2)cc(Cl)c1[O-] ZINC000436879667 1099396007 /nfs/dbraw/zinc/39/60/07/1099396007.db2.gz YCBAGKGDNUWNJN-UHFFFAOYSA-N -1 1 356.769 4.038 20 0 FIADMM CC(C)(CC(=O)c1ccccc1)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436879408 1099397117 /nfs/dbraw/zinc/39/71/17/1099397117.db2.gz NFGPUEBADTWNIK-UHFFFAOYSA-N -1 1 354.381 4.423 20 0 FIADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C[C@](C)(C(F)(F)F)O1 ZINC000436909459 1099418321 /nfs/dbraw/zinc/41/83/21/1099418321.db2.gz ALLSABOAYHBBEY-GOSISDBHSA-N -1 1 367.367 4.117 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c([O-])c1 ZINC000436899369 1099425217 /nfs/dbraw/zinc/42/52/17/1099425217.db2.gz CRQIBCYERHLNHB-UHFFFAOYSA-N -1 1 353.397 4.308 20 0 FIADMM [O-]c1c(-c2nc(-c3ccccc3-n3cccn3)no2)ccc2ccccc21 ZINC000436915674 1099431508 /nfs/dbraw/zinc/43/15/08/1099431508.db2.gz RTFUJJQPRLVOJF-UHFFFAOYSA-N -1 1 354.369 4.448 20 0 FIADMM CC(C)[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436918432 1099434481 /nfs/dbraw/zinc/43/44/81/1099434481.db2.gz IHBAYNWDRDKMMD-MRXNPFEDSA-N -1 1 370.840 4.209 20 0 FIADMM CC(C)[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1 ZINC000436918432 1099434487 /nfs/dbraw/zinc/43/44/87/1099434487.db2.gz IHBAYNWDRDKMMD-MRXNPFEDSA-N -1 1 370.840 4.209 20 0 FIADMM [O-]c1c(-c2nc(-c3cccc(-n4cccn4)c3)no2)ccc2ccccc21 ZINC000436939947 1099453102 /nfs/dbraw/zinc/45/31/02/1099453102.db2.gz SHRAPPSQNAUCNN-UHFFFAOYSA-N -1 1 354.369 4.448 20 0 FIADMM CCOc1cc(-c2noc(C(C)(C)C3CC3)n2)cc(Br)c1[O-] ZINC000436948113 1099458490 /nfs/dbraw/zinc/45/84/90/1099458490.db2.gz OHUDJOYGCGMKFA-UHFFFAOYSA-N -1 1 367.243 4.291 20 0 FIADMM [O-]c1c(-c2nc(-c3ccnc(OCC(F)F)c3)no2)ccc2ccccc21 ZINC000436960784 1099460868 /nfs/dbraw/zinc/46/08/68/1099460868.db2.gz IJDMEHQWFWRKIF-UHFFFAOYSA-N -1 1 369.327 4.301 20 0 FIADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436958640 1099476297 /nfs/dbraw/zinc/47/62/97/1099476297.db2.gz CCZHZXJDEGZSIX-GFCCVEGCSA-N -1 1 365.351 4.203 20 0 FIADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000436987689 1099493637 /nfs/dbraw/zinc/49/36/37/1099493637.db2.gz VFFNBPLKTIJYMN-UHFFFAOYSA-N -1 1 357.303 4.095 20 0 FIADMM CC(C)(C)c1ccc(-c2cc(NC(=O)C(=O)c3ccc([O-])cc3)on2)cc1 ZINC000436995450 1099498407 /nfs/dbraw/zinc/49/84/07/1099498407.db2.gz DDVSNZHKKRTPPF-UHFFFAOYSA-N -1 1 364.401 4.166 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@@H](C(=O)[O-])[C@H]2C)cc1Cl ZINC000263031721 1099758250 /nfs/dbraw/zinc/75/82/50/1099758250.db2.gz HHRNIZTYLSTOJX-ZYHUDNBSSA-N -1 1 360.679 4.096 20 0 FIADMM COc1ccc(C(=O)[C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)cc1Cl ZINC000516755304 1099774138 /nfs/dbraw/zinc/77/41/38/1099774138.db2.gz FUKCBYRBSWZPFH-ZETCQYMHSA-N -1 1 374.796 4.145 20 0 FIADMM C[C@@H](CN(C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1)C(=O)[O-] ZINC000263523402 1099799710 /nfs/dbraw/zinc/79/97/10/1099799710.db2.gz SCASJSKQHQBJRD-VIFPVBQESA-N -1 1 359.278 4.269 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)c(C)c1C ZINC000437336315 1099817082 /nfs/dbraw/zinc/81/70/82/1099817082.db2.gz YSLHZVRIQCYBNB-UHFFFAOYSA-N -1 1 370.474 4.278 20 0 FIADMM COc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc(Cl)c1[O-] ZINC000428607085 1099833450 /nfs/dbraw/zinc/83/34/50/1099833450.db2.gz ZOKJATBLMSJATN-UHFFFAOYSA-N -1 1 371.824 4.109 20 0 FIADMM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCCC(=O)[O-])cc1Cl ZINC000455617834 1099882529 /nfs/dbraw/zinc/88/25/29/1099882529.db2.gz DWGBXTNFIPIDCI-LJQANCHMSA-N -1 1 374.868 4.125 20 0 FIADMM CC[C@H](C)N(CC(=O)[O-])Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000455643709 1099910314 /nfs/dbraw/zinc/91/03/14/1099910314.db2.gz OMIWZLFLKAHVSZ-AWEZNQCLSA-N -1 1 368.433 4.189 20 0 FIADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccsc2Cl)s1 ZINC000437680070 1100093997 /nfs/dbraw/zinc/09/39/97/1100093997.db2.gz ZHRQNAKGLOCUCM-UHFFFAOYSA-N -1 1 372.718 4.335 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnccc1Oc1ccccc1 ZINC000506108387 1100115835 /nfs/dbraw/zinc/11/58/35/1100115835.db2.gz UNOZQZXPYNBWIY-UHFFFAOYSA-N -1 1 372.384 4.222 20 0 FIADMM Cc1ccc(O)c(C[N@H+](Cc2csc(Br)c2)C2CC2)n1 ZINC000536695804 1100199590 /nfs/dbraw/zinc/19/95/90/1100199590.db2.gz HSCUTYIKNPIMBJ-UHFFFAOYSA-N -1 1 353.285 4.084 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1C ZINC000425938549 1100354156 /nfs/dbraw/zinc/35/41/56/1100354156.db2.gz AFELKMIOQJBWFN-UHFFFAOYSA-N -1 1 361.463 4.033 20 0 FIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000425938572 1100354478 /nfs/dbraw/zinc/35/44/78/1100354478.db2.gz AHDCBRWBERSFST-UHFFFAOYSA-N -1 1 351.427 4.160 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000425975690 1100579588 /nfs/dbraw/zinc/57/95/88/1100579588.db2.gz FVUHTERRDICVHL-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cccc(OC(F)(F)F)c1 ZINC000509545520 1100941392 /nfs/dbraw/zinc/94/13/92/1100941392.db2.gz VWWPSQKETOQELK-UHFFFAOYSA-N -1 1 367.295 4.324 20 0 FIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1F ZINC000439036994 1101098743 /nfs/dbraw/zinc/09/87/43/1101098743.db2.gz CHKGWPGZIZTGFH-UHFFFAOYSA-N -1 1 361.435 4.133 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CC3(C)C)n2)cc(Br)c1[O-] ZINC000439062574 1101114122 /nfs/dbraw/zinc/11/41/22/1101114122.db2.gz YIDFXWNYYQNPDX-SECBINFHSA-N -1 1 353.216 4.117 20 0 FIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000518491879 1101241609 /nfs/dbraw/zinc/24/16/09/1101241609.db2.gz IJXLQACWXZYUHH-VIFPVBQESA-N -1 1 358.246 4.118 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1 ZINC000439253841 1101291807 /nfs/dbraw/zinc/29/18/07/1101291807.db2.gz BXNNBDFCLCUHPP-UHFFFAOYSA-N -1 1 373.503 4.204 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)n[nH]c1-c1ccccc1 ZINC000536895288 1101315636 /nfs/dbraw/zinc/31/56/36/1101315636.db2.gz ACYSMSOETNFZFB-UHFFFAOYSA-N -1 1 355.463 4.111 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cnc(-c2ccncc2)s1 ZINC000172794169 1101356292 /nfs/dbraw/zinc/35/62/92/1101356292.db2.gz JQAPYIHUVOHPGW-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000460131593 1101626084 /nfs/dbraw/zinc/62/60/84/1101626084.db2.gz PIQZEBAMXJTXOF-GTNSWQLSSA-N -1 1 363.816 4.417 20 0 FIADMM Cc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)n1C(C)C ZINC000055315194 1101637110 /nfs/dbraw/zinc/63/71/10/1101637110.db2.gz FAQZVMUPIVKLSR-UHFFFAOYSA-N -1 1 368.477 4.127 20 0 FIADMM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ncc(-c2ccccc2)o1 ZINC000184890231 1101675824 /nfs/dbraw/zinc/67/58/24/1101675824.db2.gz HENGIQFTNYPZJY-CYBMUJFWSA-N -1 1 362.385 4.004 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000460211981 1101744090 /nfs/dbraw/zinc/74/40/90/1101744090.db2.gz ORFXHPOUADNTKV-RHSMWYFYSA-N -1 1 359.853 4.195 20 0 FIADMM CCOc1ccc(-c2nc(CSc3nc(C)c(C)c(=O)[n-]3)co2)cc1 ZINC000537414463 1101761749 /nfs/dbraw/zinc/76/17/49/1101761749.db2.gz MGBUFBWIPVFIIP-UHFFFAOYSA-N -1 1 357.435 4.145 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000428540971 1101834765 /nfs/dbraw/zinc/83/47/65/1101834765.db2.gz OKWPRRREMMTVHC-QGZVFWFLSA-N -1 1 367.493 4.329 20 0 FIADMM Cc1cccc2nc(C3CCN(C(=O)c4ccc([O-])cc4F)CC3)oc21 ZINC000188523399 1101834828 /nfs/dbraw/zinc/83/48/28/1101834828.db2.gz JFDQPWVPQLRJBX-UHFFFAOYSA-N -1 1 354.381 4.001 20 0 FIADMM Cc1cnc(C2CCN(C(=O)c3ccc4ccc(O)cc4c3[O-])CC2)s1 ZINC000897573767 1101870500 /nfs/dbraw/zinc/87/05/00/1101870500.db2.gz WEFUUGKNNHUSQN-UHFFFAOYSA-N -1 1 368.458 4.036 20 0 FIADMM CC[C@@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)C ZINC000519105474 1101934199 /nfs/dbraw/zinc/93/41/99/1101934199.db2.gz RPBANSYHCFIWQR-INIZCTEOSA-N -1 1 374.506 4.498 20 0 FIADMM O=C([O-])CC[C@@H]1CCCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000263174872 1101986705 /nfs/dbraw/zinc/98/67/05/1101986705.db2.gz SNQSSLMQDPINIQ-KRWDZBQOSA-N -1 1 358.507 4.005 20 0 FIADMM O=S(=O)([N-]c1ccccc1SC(F)F)c1ccc2c(c1)CCC2 ZINC000007055920 1102003700 /nfs/dbraw/zinc/00/37/00/1102003700.db2.gz LSCBOMPUOOTHAJ-UHFFFAOYSA-N -1 1 355.431 4.291 20 0 FIADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000263371078 1102099168 /nfs/dbraw/zinc/09/91/68/1102099168.db2.gz VJNLXPDIQFSIMD-YPMHNXCESA-N -1 1 350.871 4.006 20 0 FIADMM O=C([O-])[C@H]1CCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000263379633 1102103354 /nfs/dbraw/zinc/10/33/54/1102103354.db2.gz BJASUPJHUCSNKL-VIFPVBQESA-N -1 1 357.262 4.023 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475830529 1102116792 /nfs/dbraw/zinc/11/67/92/1102116792.db2.gz NFABXCNGTNBBOH-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000506800398 1102134734 /nfs/dbraw/zinc/13/47/34/1102134734.db2.gz ZANAJHMRZLXAQW-UHFFFAOYSA-N -1 1 351.493 4.244 20 0 FIADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000263432293 1102139163 /nfs/dbraw/zinc/13/91/63/1102139163.db2.gz SPCKYLDKIMJEHT-OAHLLOKOSA-N -1 1 353.340 4.405 20 0 FIADMM O=C([O-])C1CCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000263447302 1102153308 /nfs/dbraw/zinc/15/33/08/1102153308.db2.gz YGIUVJINDCGROB-UHFFFAOYSA-N -1 1 371.289 4.414 20 0 FIADMM Cc1ccccc1Nc1scnc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142545932 1102184659 /nfs/dbraw/zinc/18/46/59/1102184659.db2.gz NCZSRJSERRNNHB-UHFFFAOYSA-N -1 1 361.373 4.431 20 0 FIADMM Cc1cc(Br)c(F)c(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142546130 1102188865 /nfs/dbraw/zinc/18/88/65/1102188865.db2.gz QVKMWMDLXWEHTG-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM COc1ccccc1-c1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000426652307 1102259817 /nfs/dbraw/zinc/25/98/17/1102259817.db2.gz SETVVVZDKBVRRR-UHFFFAOYSA-N -1 1 362.429 4.054 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c(C)c1 ZINC000110685027 1102388311 /nfs/dbraw/zinc/38/83/11/1102388311.db2.gz SZRYIYPBXAHAKZ-UHFFFAOYSA-N -1 1 371.487 4.045 20 0 FIADMM CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ncccc1[O-] ZINC001648955634 1102443453 /nfs/dbraw/zinc/44/34/53/1102443453.db2.gz ICEHPFZGUPBDFY-AWEZNQCLSA-N -1 1 364.367 4.214 20 0 FIADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1nc(Cl)ccc1Cl ZINC000109110895 1102489576 /nfs/dbraw/zinc/48/95/76/1102489576.db2.gz NGRMTFFRBORWCD-UHFFFAOYSA-N -1 1 357.247 4.221 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1 ZINC000122127561 1102529227 /nfs/dbraw/zinc/52/92/27/1102529227.db2.gz ZITULRIBULKJGH-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000551100996 1102901726 /nfs/dbraw/zinc/90/17/26/1102901726.db2.gz MRXSQHIYJJYCAZ-SECBINFHSA-N -1 1 350.394 4.343 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccc(-c2ccncc2)cc1F)c1ccsc1 ZINC000426684808 1102919850 /nfs/dbraw/zinc/91/98/50/1102919850.db2.gz CBSZQEGQBWSUHU-GOSISDBHSA-N -1 1 356.422 4.255 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cc(Cl)ccc1F ZINC000551114695 1102920322 /nfs/dbraw/zinc/92/03/22/1102920322.db2.gz VEJLYNAMKSYBDF-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM COc1cc(-c2ccccc2)ccc1CNCc1ccccc1CC(=O)[O-] ZINC000426709640 1102946083 /nfs/dbraw/zinc/94/60/83/1102946083.db2.gz RVNKBKDXNVIILQ-UHFFFAOYSA-N -1 1 361.441 4.279 20 0 FIADMM Cc1ccc([C@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])cc1 ZINC000426710735 1102947191 /nfs/dbraw/zinc/94/71/91/1102947191.db2.gz KUFWOORMYKHJIQ-FQEVSTJZSA-N -1 1 350.393 4.112 20 0 FIADMM COc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1F ZINC000426748999 1102966359 /nfs/dbraw/zinc/96/63/59/1102966359.db2.gz BTZMXQDVYJGEIN-OAHLLOKOSA-N -1 1 372.223 4.447 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc2ccccc2c1 ZINC000614844114 1102970609 /nfs/dbraw/zinc/97/06/09/1102970609.db2.gz KFLWIWBIENYTQY-UHFFFAOYSA-N -1 1 367.348 4.381 20 0 FIADMM CC1(C)Cc2cccc(CN[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)c2O1 ZINC000426756889 1102971177 /nfs/dbraw/zinc/97/11/77/1102971177.db2.gz MSARPJYYMAFMTM-MRXNPFEDSA-N -1 1 363.816 4.108 20 0 FIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(Cl)cc2F)cc1 ZINC000426758240 1102973405 /nfs/dbraw/zinc/97/34/05/1102973405.db2.gz HCEFIGVNWFLSAK-KRWDZBQOSA-N -1 1 351.805 4.183 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(C(F)(F)F)ccc2F)c1 ZINC000426761963 1102975838 /nfs/dbraw/zinc/97/58/38/1102975838.db2.gz FWYBHHCDFRLOQY-MRXNPFEDSA-N -1 1 371.330 4.159 20 0 FIADMM Cc1ccc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)nc1 ZINC000426765620 1102985629 /nfs/dbraw/zinc/98/56/29/1102985629.db2.gz QKHHHUYTEWRHCB-INIZCTEOSA-N -1 1 353.249 4.393 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1Cl)c1cccc(F)c1 ZINC000426801279 1102999324 /nfs/dbraw/zinc/99/93/24/1102999324.db2.gz QMJKRAJKXSXVTG-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1Oc1cccnc1 ZINC000426804751 1103001737 /nfs/dbraw/zinc/00/17/37/1103001737.db2.gz WJBGWAZKKKVIPR-FQEVSTJZSA-N -1 1 366.392 4.237 20 0 FIADMM CCn1nc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c2ccccc21 ZINC000426816375 1103012881 /nfs/dbraw/zinc/01/28/81/1103012881.db2.gz KICORWYZIJHJRS-INIZCTEOSA-N -1 1 357.841 4.015 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c2ccccc12 ZINC000506994704 1103018765 /nfs/dbraw/zinc/01/87/65/1103018765.db2.gz JQMRYRGNYUXCFQ-UHFFFAOYSA-N -1 1 369.442 4.070 20 0 FIADMM COc1ccc(C(=O)C2CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC000507064893 1103092106 /nfs/dbraw/zinc/09/21/06/1103092106.db2.gz NWARQPXDRDYHBJ-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105433 1103105798 /nfs/dbraw/zinc/10/57/98/1103105798.db2.gz DQBKBELBZOGBQE-QBIMZIAESA-N -1 1 357.454 4.095 20 0 FIADMM COc1ccc2c(c1)CCC[C@@]2(NCc1cc2ccccc2s1)C(=O)[O-] ZINC000551420851 1103202085 /nfs/dbraw/zinc/20/20/85/1103202085.db2.gz OLAQNRQKXDQHLR-NRFANRHFSA-N -1 1 367.470 4.316 20 0 FIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000477191515 1103216432 /nfs/dbraw/zinc/21/64/32/1103216432.db2.gz VACASUBRNWLKIH-UHFFFAOYSA-N -1 1 373.453 4.303 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4nc(C)sc4c3)ccc2[nH]1 ZINC000427114423 1103268388 /nfs/dbraw/zinc/26/83/88/1103268388.db2.gz PEPNRIYXKNYWQW-UHFFFAOYSA-N -1 1 357.460 4.195 20 0 FIADMM COc1ccccc1CN(Cc1cccc([O-])c1Cl)C[C@H]1CCCO1 ZINC000507480289 1103425015 /nfs/dbraw/zinc/42/50/15/1103425015.db2.gz RKYHKNSODMKKLO-QGZVFWFLSA-N -1 1 361.869 4.235 20 0 FIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC)c(Cl)c2)cc1 ZINC000507599732 1103533506 /nfs/dbraw/zinc/53/35/06/1103533506.db2.gz XMFJLYISZBVKOY-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)sc2c1)c1cccc(F)c1 ZINC000507619266 1103554088 /nfs/dbraw/zinc/55/40/88/1103554088.db2.gz VWEZGLOYJMPNPA-UHFFFAOYSA-N -1 1 358.366 4.174 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc(Cl)c1[O-] ZINC000477484858 1103560229 /nfs/dbraw/zinc/56/02/29/1103560229.db2.gz BBAKKBADVUDVFC-INIZCTEOSA-N -1 1 363.816 4.391 20 0 FIADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)c(Br)c1 ZINC000507674445 1103595544 /nfs/dbraw/zinc/59/55/44/1103595544.db2.gz HTJFPZNJDVEORV-SSDOTTSWSA-N -1 1 374.156 4.063 20 0 FIADMM CC[C@@H](C)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000440796298 1103949331 /nfs/dbraw/zinc/94/93/31/1103949331.db2.gz GCJJTJIHQGXBCR-SJKOYZFVSA-N -1 1 369.852 4.094 20 0 FIADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC000188100013 1103976520 /nfs/dbraw/zinc/97/65/20/1103976520.db2.gz IIFHIKXWBSHHGM-UHFFFAOYSA-N -1 1 366.442 4.100 20 0 FIADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000028911347 1104000811 /nfs/dbraw/zinc/00/08/11/1104000811.db2.gz KWUJAWNMWUBLEP-SDQBBNPISA-N -1 1 367.858 4.361 20 0 FIADMM CCC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000520131598 1104096673 /nfs/dbraw/zinc/09/66/73/1104096673.db2.gz HRMPFDGVJLTGJS-QGZVFWFLSA-N -1 1 374.506 4.104 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(CC(C)C)n2)c(F)c1F ZINC000461102050 1104099031 /nfs/dbraw/zinc/09/90/31/1104099031.db2.gz HTKRAFJTRHYTFY-UHFFFAOYSA-N -1 1 356.369 4.214 20 0 FIADMM Cc1ccc(C=C([O-])Nc2nc(-c3ccccc3Cl)ns2)cc1C ZINC000520321214 1104253593 /nfs/dbraw/zinc/25/35/93/1104253593.db2.gz HBBWRTXMNARNJW-UHFFFAOYSA-N -1 1 357.866 4.078 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000520398531 1104324240 /nfs/dbraw/zinc/32/42/40/1104324240.db2.gz BFBDAERAGUHADE-QFIPXVFZSA-N -1 1 354.409 4.460 20 0 FIADMM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1ccc(Cl)c(F)c1Cl ZINC000473922236 1104381813 /nfs/dbraw/zinc/38/18/13/1104381813.db2.gz YKPOEPUBEJAHFG-UHFFFAOYSA-N -1 1 373.236 4.092 20 0 FIADMM Cc1ccc([C@@H]2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)c(C)c1 ZINC000331015594 1104695290 /nfs/dbraw/zinc/69/52/90/1104695290.db2.gz LIXICLLXIRJLQM-MRXNPFEDSA-N -1 1 367.493 4.035 20 0 FIADMM O=C(CC1=CCCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000520719690 1105148162 /nfs/dbraw/zinc/14/81/62/1105148162.db2.gz XQJFSKWGRDONFC-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427643443 1105209599 /nfs/dbraw/zinc/20/95/99/1105209599.db2.gz ZWQHMOPQCZFKIC-UHFFFAOYSA-N -1 1 366.442 4.060 20 0 FIADMM O=S(=O)(CCC1CC1)[N-]c1cccc(-c2ccc(F)cc2Cl)n1 ZINC000427651958 1105228275 /nfs/dbraw/zinc/22/82/75/1105228275.db2.gz SMRCYJSIBRTCOS-UHFFFAOYSA-N -1 1 354.834 4.083 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000427658580 1105240303 /nfs/dbraw/zinc/24/03/03/1105240303.db2.gz ZSOJZCMRHABTEQ-BDJLRTHQSA-N -1 1 350.340 4.029 20 0 FIADMM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000427783827 1105280420 /nfs/dbraw/zinc/28/04/20/1105280420.db2.gz ZXEOZZNUKVWHIC-HRAATJIYSA-N -1 1 358.441 4.006 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)s1 ZINC000508072391 1105319745 /nfs/dbraw/zinc/31/97/45/1105319745.db2.gz FYAJJUNUYMWRMF-AWEZNQCLSA-N -1 1 374.409 4.120 20 0 FIADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(Br)c([O-])c1 ZINC000427972885 1105332955 /nfs/dbraw/zinc/33/29/55/1105332955.db2.gz BYLBZGJKQKZJMI-QMMMGPOBSA-N -1 1 354.166 4.006 20 0 FIADMM Cc1cc(Br)c(CN(C[C@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000530167083 1106871516 /nfs/dbraw/zinc/87/15/16/1106871516.db2.gz XWUJKSXUQLZPGD-JTQLQIEISA-N -1 1 360.679 4.096 20 0 FIADMM Cc1cc(Br)c(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1Cl ZINC000530172481 1106901977 /nfs/dbraw/zinc/90/19/77/1106901977.db2.gz HWQNADGEDIVAMH-GHMZBOCLSA-N -1 1 374.706 4.485 20 0 FIADMM COc1cc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000530312514 1106960752 /nfs/dbraw/zinc/96/07/52/1106960752.db2.gz AHEIJSMVBQNIKT-WFASDCNBSA-N -1 1 363.816 4.259 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccccc2)sc1Cl ZINC000530387636 1106995567 /nfs/dbraw/zinc/99/55/67/1106995567.db2.gz SGHCUOHIRCJKBQ-UHFFFAOYSA-N -1 1 367.883 4.209 20 0 FIADMM Cc1ccc(SCCNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301338103 1106996812 /nfs/dbraw/zinc/99/68/12/1106996812.db2.gz DTGSMWUECDPHQU-UHFFFAOYSA-N -1 1 366.490 4.374 20 0 FIADMM Cc1nc(-c2ccc(N3CCC(c4ccccc4)CC3)nc2)[n-]c(=O)c1C ZINC000301361288 1107004698 /nfs/dbraw/zinc/00/46/98/1107004698.db2.gz MBAIAHOLIKXZAW-UHFFFAOYSA-N -1 1 360.461 4.245 20 0 FIADMM Cc1cc(C)c(CCNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(C)c1 ZINC000301367570 1107005537 /nfs/dbraw/zinc/00/55/37/1107005537.db2.gz OHGPYQJXVSWQQY-UHFFFAOYSA-N -1 1 362.477 4.441 20 0 FIADMM Cc1nc(-c2ccc(N(C)Cc3cccc(Cl)c3)nc2)[n-]c(=O)c1C ZINC000301379183 1107010335 /nfs/dbraw/zinc/01/03/35/1107010335.db2.gz XYQPQHIIHGTCPQ-UHFFFAOYSA-N -1 1 354.841 4.151 20 0 FIADMM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301510851 1107052841 /nfs/dbraw/zinc/05/28/41/1107052841.db2.gz APGVMEUTQFFUMR-JKSUJKDBSA-N -1 1 358.511 4.337 20 0 FIADMM CC[C@@H](Cc1ccccc1)N(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301768673 1107143961 /nfs/dbraw/zinc/14/39/61/1107143961.db2.gz OOWYSEHFARDRGT-IBGZPJMESA-N -1 1 362.477 4.319 20 0 FIADMM Brc1ccccc1-n1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000301976986 1107236169 /nfs/dbraw/zinc/23/61/69/1107236169.db2.gz MVCDDENZOWWSHC-UHFFFAOYSA-N -1 1 362.256 4.107 20 0 FIADMM FC(F)(F)c1ccc(-n2cc([N-]c3nc(C4CC4)ns3)cn2)cc1 ZINC000301982066 1107238914 /nfs/dbraw/zinc/23/89/14/1107238914.db2.gz QUHRHFYSZUWIEN-UHFFFAOYSA-N -1 1 351.357 4.364 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc(C(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000302183775 1107330221 /nfs/dbraw/zinc/33/02/21/1107330221.db2.gz SCXIYCGABZZERA-UHFFFAOYSA-N -1 1 356.376 4.411 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CC12CCCC2 ZINC000530854570 1107360217 /nfs/dbraw/zinc/36/02/17/1107360217.db2.gz VTCCVASMSPLADO-GOSISDBHSA-N -1 1 370.474 4.006 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1 ZINC000530868366 1107375506 /nfs/dbraw/zinc/37/55/06/1107375506.db2.gz LIDAWOMWJZWREW-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM Cc1ccc(F)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444378301 1107510769 /nfs/dbraw/zinc/51/07/69/1107510769.db2.gz HJUSETCITSKRFS-UHFFFAOYSA-N -1 1 370.424 4.155 20 0 FIADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000444402436 1107545537 /nfs/dbraw/zinc/54/55/37/1107545537.db2.gz AZKPMMCIHNPECH-DIFFPNOSSA-N -1 1 366.244 4.301 20 0 FIADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl ZINC000531206827 1107648175 /nfs/dbraw/zinc/64/81/75/1107648175.db2.gz CNBNHRYDDRUPSI-UHFFFAOYSA-N -1 1 360.237 4.100 20 0 FIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)c1 ZINC000614801962 1107877332 /nfs/dbraw/zinc/87/73/32/1107877332.db2.gz GIJLKJRLDNRACY-HNNXBMFYSA-N -1 1 374.506 4.141 20 0 FIADMM CCC(CC)n1ncc(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)c1C ZINC000444812302 1108203907 /nfs/dbraw/zinc/20/39/07/1108203907.db2.gz KSUNLAPMAWORNN-UHFFFAOYSA-N -1 1 369.444 4.064 20 0 FIADMM CC1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCCCC1 ZINC000523573743 1108332088 /nfs/dbraw/zinc/33/20/88/1108332088.db2.gz AUUVBYLQCBFRFA-UHFFFAOYSA-N -1 1 355.809 4.360 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCO[C@@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445409252 1108719486 /nfs/dbraw/zinc/71/94/86/1108719486.db2.gz BMRBJBWNTXBCHH-JQWIXIFHSA-N -1 1 352.818 4.167 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H](OCC)C(C)C)n2)cc(Cl)c1[O-] ZINC000445410284 1108720317 /nfs/dbraw/zinc/72/03/17/1108720317.db2.gz DKILBTOWFWCPHN-CYBMUJFWSA-N -1 1 354.834 4.098 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3COc4ccccc4O3)n2)cc(Cl)c1[O-] ZINC000445407896 1108732768 /nfs/dbraw/zinc/73/27/68/1108732768.db2.gz VUFVPJGYJCMHCR-HNNXBMFYSA-N -1 1 374.780 4.007 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc(C)s3)n2)cc(Cl)c1[O-] ZINC000445421500 1108735090 /nfs/dbraw/zinc/73/50/90/1108735090.db2.gz HDMVVTJDXMUVSI-UHFFFAOYSA-N -1 1 350.827 4.455 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3coc(-c4ccc(F)cc4)n3)n2)c(Cl)c1 ZINC000445448736 1108750694 /nfs/dbraw/zinc/75/06/94/1108750694.db2.gz WWYDRMVIFWFNQH-UHFFFAOYSA-N -1 1 371.755 4.481 20 0 FIADMM CCc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450947 1108755492 /nfs/dbraw/zinc/75/54/92/1108755492.db2.gz YSJITBVCFMFZDW-UHFFFAOYSA-N -1 1 356.809 4.474 20 0 FIADMM CCOc1cc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc(Cl)c1[O-] ZINC000445444665 1108767980 /nfs/dbraw/zinc/76/79/80/1108767980.db2.gz XHXDVXSJILNHBG-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM CCOc1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445453693 1108786247 /nfs/dbraw/zinc/78/62/47/1108786247.db2.gz JDLLLXAQZHOMTN-WEVVVXLNSA-N -1 1 356.353 4.159 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(Cc4ccccc4)n3)n2)c(F)c1 ZINC000445456930 1108791777 /nfs/dbraw/zinc/79/17/77/1108791777.db2.gz KZPQIUHDUFKOAG-UHFFFAOYSA-N -1 1 367.405 4.219 20 0 FIADMM O=C1CCCN1c1ccc(Cl)c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445461252 1108794111 /nfs/dbraw/zinc/79/41/11/1108794111.db2.gz WTFKETFMAMGTFF-UHFFFAOYSA-N -1 1 373.771 4.029 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccccc3C(F)(F)F)n2)cc1F ZINC000445478506 1108798023 /nfs/dbraw/zinc/79/80/23/1108798023.db2.gz RMGFPNRYJBEEIQ-UHFFFAOYSA-N -1 1 354.259 4.179 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3coc(-c4ccc(Cl)cc4)n3)n2)cc1F ZINC000445477009 1108798725 /nfs/dbraw/zinc/79/87/25/1108798725.db2.gz LFUHCAHWYYJUKD-UHFFFAOYSA-N -1 1 371.755 4.481 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C\c3ccc(Br)o3)n2)cc1F ZINC000445479729 1108799134 /nfs/dbraw/zinc/79/91/34/1108799134.db2.gz WZLVXJJRKYHOOI-UTCJRWHESA-N -1 1 351.131 4.107 20 0 FIADMM COc1ccc2cccc(Cc3nc(-c4ccc([O-])c(F)c4)no3)c2c1 ZINC000445479389 1108799380 /nfs/dbraw/zinc/79/93/80/1108799380.db2.gz HFZAAQQOBYENHT-UHFFFAOYSA-N -1 1 350.349 4.334 20 0 FIADMM CC(C)(C)CNC(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445481128 1108801355 /nfs/dbraw/zinc/80/13/55/1108801355.db2.gz KAELUIIMHBUWII-UHFFFAOYSA-N -1 1 369.396 4.024 20 0 FIADMM [O-]c1ccc(-c2noc(COc3c(Cl)cccc3Cl)n2)cc1F ZINC000445473925 1108811531 /nfs/dbraw/zinc/81/15/31/1108811531.db2.gz PAXMVAOWHJNCPY-UHFFFAOYSA-N -1 1 355.152 4.467 20 0 FIADMM C/C=C/c1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)c(OC)c1 ZINC000445474704 1108813146 /nfs/dbraw/zinc/81/31/46/1108813146.db2.gz RHPCGDRMVHJBNL-ONEGZZNKSA-N -1 1 356.353 4.202 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000016149083 1108980567 /nfs/dbraw/zinc/98/05/67/1108980567.db2.gz BTNODKDTRVLJPS-UHFFFAOYSA-N -1 1 367.295 4.108 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)nc1 ZINC000446819194 1109344475 /nfs/dbraw/zinc/34/44/75/1109344475.db2.gz WDBAFAFDMFORMS-UHFFFAOYSA-N -1 1 363.291 4.052 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c(F)c1 ZINC000447268324 1109492149 /nfs/dbraw/zinc/49/21/49/1109492149.db2.gz UUTNQNDWFSKXBQ-UHFFFAOYSA-N -1 1 365.357 4.034 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000526942808 1109651625 /nfs/dbraw/zinc/65/16/25/1109651625.db2.gz CICNKKDGOUNZJL-IUODEOHRSA-N -1 1 363.816 4.259 20 0 FIADMM COc1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)cc(Cl)c1[O-] ZINC000527487059 1109760210 /nfs/dbraw/zinc/76/02/10/1109760210.db2.gz UEKBJXZVBXYPCJ-UHFFFAOYSA-N -1 1 355.221 4.026 20 0 FIADMM CCC[C@@H](OCC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000528168622 1109930550 /nfs/dbraw/zinc/93/05/50/1109930550.db2.gz HRNHBJCQUDQLGY-LLVKDONJSA-N -1 1 371.231 4.091 20 0 FIADMM CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538655 1110284161 /nfs/dbraw/zinc/28/41/61/1110284161.db2.gz IWEDQTGWXBKNFA-KRWDZBQOSA-N -1 1 374.868 4.174 20 0 FIADMM CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000529539690 1110284764 /nfs/dbraw/zinc/28/47/64/1110284764.db2.gz SMAVHGWEKBLYCL-CYBMUJFWSA-N -1 1 374.868 4.176 20 0 FIADMM COc1c(Br)cc(Cl)cc1NC(=O)c1ccccc1[O-] ZINC000538747684 1111279185 /nfs/dbraw/zinc/27/91/85/1111279185.db2.gz QIKOLRKSOGWRNH-UHFFFAOYSA-N -1 1 356.603 4.069 20 0 FIADMM Cc1ccc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)[n-]c(=O)c2c1 ZINC000461741133 1111344681 /nfs/dbraw/zinc/34/46/81/1111344681.db2.gz WVVUCUKVOKRJRI-UHFFFAOYSA-N -1 1 359.414 4.311 20 0 FIADMM Cc1nc(-c2ccc(NCc3cc(-c4ccccc4)no3)nc2)[n-]c(=O)c1C ZINC000539184968 1111466523 /nfs/dbraw/zinc/46/65/23/1111466523.db2.gz MDXNLPAEGBOHGW-UHFFFAOYSA-N -1 1 373.416 4.128 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000539262023 1111498891 /nfs/dbraw/zinc/49/88/91/1111498891.db2.gz WLVMWKVHDDAJKW-STQMWFEESA-N -1 1 364.214 4.344 20 0 FIADMM O=C(Cc1ccccc1F)Nc1c([O-])cc(Br)cc1Cl ZINC000552195820 1111610441 /nfs/dbraw/zinc/61/04/41/1111610441.db2.gz ZAPOPZGLPTXCDR-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM COc1cc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc(Cl)c1[O-] ZINC000552913478 1111846591 /nfs/dbraw/zinc/84/65/91/1111846591.db2.gz NKOOLZZAFUJMKR-KRWDZBQOSA-N -1 1 357.793 4.167 20 0 FIADMM COc1nc(C)cc(C)c1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000553434147 1111972299 /nfs/dbraw/zinc/97/22/99/1111972299.db2.gz MYRZXHBWCKBBER-UHFFFAOYSA-N -1 1 367.474 4.470 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1Cl ZINC000479307440 1111985623 /nfs/dbraw/zinc/98/56/23/1111985623.db2.gz NFWRRAXTWZYBSC-UHFFFAOYSA-N -1 1 374.849 4.211 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480192770 1112321118 /nfs/dbraw/zinc/32/11/18/1112321118.db2.gz FVMHDYAJKLTUOF-UHFFFAOYSA-N -1 1 373.396 4.129 20 0 FIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000554726500 1112456153 /nfs/dbraw/zinc/45/61/53/1112456153.db2.gz ATVLSQYBYAJFIS-UHFFFAOYSA-N -1 1 359.278 4.169 20 0 FIADMM COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000600136753 1112905147 /nfs/dbraw/zinc/90/51/47/1112905147.db2.gz YCDBIFLCUNHQLX-HAQNSBGRSA-N -1 1 361.825 4.117 20 0 FIADMM O=C([O-])c1cc(Cl)ccc1CN1CCC(Oc2ccc(F)cc2)CC1 ZINC001142657217 1113097437 /nfs/dbraw/zinc/09/74/37/1113097437.db2.gz QYBVBZBDMFLDCF-UHFFFAOYSA-N -1 1 363.816 4.221 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc(Cl)c1[O-] ZINC000482047158 1113157107 /nfs/dbraw/zinc/15/71/07/1113157107.db2.gz NAPFKYKUCSJYJK-LBPRGKRZSA-N -1 1 365.779 4.105 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1 ZINC000482074694 1113172191 /nfs/dbraw/zinc/17/21/91/1113172191.db2.gz LGWLHKXTXWGKRK-UHFFFAOYSA-N -1 1 356.447 4.459 20 0 FIADMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000158637261 1113251360 /nfs/dbraw/zinc/25/13/60/1113251360.db2.gz HNKWIILWFBMPPF-RHSMWYFYSA-N -1 1 365.351 4.061 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000482526368 1113287118 /nfs/dbraw/zinc/28/71/18/1113287118.db2.gz BYXBXPWASCMTJW-UHFFFAOYSA-N -1 1 364.214 4.273 20 0 FIADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486215173 1113528909 /nfs/dbraw/zinc/52/89/09/1113528909.db2.gz ASNVPXWMXGTKOL-GHMZBOCLSA-N -1 1 363.255 4.106 20 0 FIADMM COCc1nocc1C(=O)[N-]c1cccc(Cl)c1SCC(F)F ZINC000486369642 1113555212 /nfs/dbraw/zinc/55/52/12/1113555212.db2.gz JPUZDRBJGLEPGQ-UHFFFAOYSA-N -1 1 362.785 4.084 20 0 FIADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000486806242 1113654306 /nfs/dbraw/zinc/65/43/06/1113654306.db2.gz WURSPKGWMPKHRG-INIZCTEOSA-N -1 1 374.278 4.310 20 0 FIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(C2=CCCC2)cc1 ZINC000486823989 1113656553 /nfs/dbraw/zinc/65/65/53/1113656553.db2.gz KZGWZJKXOKIYMM-UHFFFAOYSA-N -1 1 374.437 4.017 20 0 FIADMM COc1cc(C(=O)Nc2cc([O-])c(F)cc2F)cc(OC)c1C(C)C ZINC000909985146 1113800555 /nfs/dbraw/zinc/80/05/55/1113800555.db2.gz FTPPROGJUJRJPQ-UHFFFAOYSA-N -1 1 351.349 4.063 20 0 FIADMM Cc1nc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)sc1C ZINC000029579679 1114328675 /nfs/dbraw/zinc/32/86/75/1114328675.db2.gz XIIZRGQVMUBOSZ-UHFFFAOYSA-N -1 1 373.507 4.018 20 0 FIADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(OCC2CC2)CC1 ZINC000571096380 1114433550 /nfs/dbraw/zinc/43/35/50/1114433550.db2.gz AIJSOAYWWWDVBE-MRXNPFEDSA-N -1 1 358.265 4.010 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1 ZINC000055223854 1114436095 /nfs/dbraw/zinc/43/60/95/1114436095.db2.gz VFWBKSNJZBCTCK-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM CC(C)(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000571464821 1114466259 /nfs/dbraw/zinc/46/62/59/1114466259.db2.gz GAGYYCWVDDBZNZ-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000588833288 1114662380 /nfs/dbraw/zinc/66/23/80/1114662380.db2.gz HEKRQZPOXDPYRE-LLVKDONJSA-N -1 1 359.369 4.214 20 0 FIADMM CSc1ccc(Cl)c(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1 ZINC000588927529 1114675964 /nfs/dbraw/zinc/67/59/64/1114675964.db2.gz ZGBAZNUJTOQYSV-UHFFFAOYSA-N -1 1 363.895 4.496 20 0 FIADMM CCCCCC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000589967630 1114868981 /nfs/dbraw/zinc/86/89/81/1114868981.db2.gz NIWQRUJWKPIXQY-UHFFFAOYSA-N -1 1 374.506 4.026 20 0 FIADMM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000589939040 1114870218 /nfs/dbraw/zinc/87/02/18/1114870218.db2.gz QGHALXDZRPYFAC-UHFFFAOYSA-N -1 1 374.506 4.296 20 0 FIADMM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590618483 1114954506 /nfs/dbraw/zinc/95/45/06/1114954506.db2.gz OFNPELAIFKZBFR-OXQOHEQNSA-N -1 1 372.509 4.355 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cnc(-c2ccco2)s1 ZINC000590883600 1114989920 /nfs/dbraw/zinc/98/99/20/1114989920.db2.gz YECDTSPNTRHTRB-UHFFFAOYSA-N -1 1 368.443 4.098 20 0 FIADMM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1F ZINC001212166167 1115006989 /nfs/dbraw/zinc/00/69/89/1115006989.db2.gz PPRKLUVGVNZAIY-TZMCWYRMSA-N -1 1 371.836 4.233 20 0 FIADMM CC[C@H](CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000591134222 1115024032 /nfs/dbraw/zinc/02/40/32/1115024032.db2.gz BNNNEZFKTFPIIR-MRXNPFEDSA-N -1 1 374.506 4.498 20 0 FIADMM O=C([N-]NC(=S)Nc1cccc(Cl)c1)c1c(Cl)cccc1Cl ZINC000057971140 1115050267 /nfs/dbraw/zinc/05/02/67/1115050267.db2.gz JFVUSLGLKCOPCG-UHFFFAOYSA-N -1 1 374.680 4.278 20 0 FIADMM CN(Cc1ccc(Cl)cc1)Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000058204888 1115138792 /nfs/dbraw/zinc/13/87/92/1115138792.db2.gz DNAWREOUDKWNGU-UHFFFAOYSA-N -1 1 364.927 4.336 20 0 FIADMM CCc1ccc(CN(C)Cn2c(Cc3cccs3)n[n-]c2=S)cc1 ZINC000058204910 1115139141 /nfs/dbraw/zinc/13/91/41/1115139141.db2.gz YIOZXLAMDDALNZ-UHFFFAOYSA-N -1 1 358.536 4.245 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3ccc(Cl)c4cccnc34)[nH][n-]2)s1 ZINC000591828438 1115150941 /nfs/dbraw/zinc/15/09/41/1115150941.db2.gz UAFAPDVXQXUTKV-UHFFFAOYSA-N -1 1 368.849 4.322 20 0 FIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000573912297 1115195725 /nfs/dbraw/zinc/19/57/25/1115195725.db2.gz VUFZCPFNFDXFSD-UHFFFAOYSA-N -1 1 372.490 4.268 20 0 FIADMM CCSCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000593740521 1115341833 /nfs/dbraw/zinc/34/18/33/1115341833.db2.gz ZKVGIWCOZBYZRK-NSHDSACASA-N -1 1 360.317 4.111 20 0 FIADMM O=C([O-])c1cccc(Cl)c1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000574643928 1115431829 /nfs/dbraw/zinc/43/18/29/1115431829.db2.gz DHEFTNPNNQIFMP-UHFFFAOYSA-N -1 1 357.837 4.133 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)c1 ZINC000669646410 1115711095 /nfs/dbraw/zinc/71/10/95/1115711095.db2.gz WPBGBTXIMFBYFJ-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM CN(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000598380768 1115723973 /nfs/dbraw/zinc/72/39/73/1115723973.db2.gz RJUPJBZTELAUOH-UHFFFAOYSA-N -1 1 370.449 4.263 20 0 FIADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(C3CCCC3)no2)cc1 ZINC000598627951 1115742387 /nfs/dbraw/zinc/74/23/87/1115742387.db2.gz KKENJSIIASRGLB-UHFFFAOYSA-N -1 1 369.446 4.195 20 0 FIADMM CC[C@@H]1CCCCN1C(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000061036261 1115756336 /nfs/dbraw/zinc/75/63/36/1115756336.db2.gz FIFIEKFLFIOVQX-MRXNPFEDSA-N -1 1 358.511 4.097 20 0 FIADMM CO[C@H](C)c1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000171055761 1115825228 /nfs/dbraw/zinc/82/52/28/1115825228.db2.gz ROYJQLZBASXMSH-LLVKDONJSA-N -1 1 374.491 4.015 20 0 FIADMM Cc1ccc(O[C@H](C)C(=O)Nc2c([O-])cccc2F)c(Br)c1 ZINC000605440143 1115895632 /nfs/dbraw/zinc/89/56/32/1115895632.db2.gz LHUFQYKGHSRYOF-SNVBAGLBSA-N -1 1 368.202 4.008 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000605615218 1115911730 /nfs/dbraw/zinc/91/17/30/1115911730.db2.gz UXXDAOAPMZRRDR-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000605615196 1115911754 /nfs/dbraw/zinc/91/17/54/1115911754.db2.gz RJUXTRHAUSVTLZ-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)ccc1F ZINC000606828567 1115974050 /nfs/dbraw/zinc/97/40/50/1115974050.db2.gz XLVVYYHJZBOBHQ-UHFFFAOYSA-N -1 1 363.454 4.394 20 0 FIADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000606904591 1115981705 /nfs/dbraw/zinc/98/17/05/1115981705.db2.gz YDWQVSBHUGXGBP-NXEZZACHSA-N -1 1 355.809 4.216 20 0 FIADMM CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000173379733 1116059284 /nfs/dbraw/zinc/05/92/84/1116059284.db2.gz JDPKHPCTWWEOFF-UHFFFAOYSA-N -1 1 364.804 4.422 20 0 FIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C(C)C)c3)c2)n1 ZINC000607880962 1116073109 /nfs/dbraw/zinc/07/31/09/1116073109.db2.gz FFBHAPAWCSSEFZ-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM CCC[C@@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000173644192 1116078972 /nfs/dbraw/zinc/07/89/72/1116078972.db2.gz CBLFMQWDIYMKJC-KRWDZBQOSA-N -1 1 364.540 4.098 20 0 FIADMM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2c([O-])cccc2F)CC1=O ZINC000608366284 1116102325 /nfs/dbraw/zinc/10/23/25/1116102325.db2.gz HXESHKAIXBPGSD-KBPBESRZSA-N -1 1 370.424 4.036 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000608366318 1116102507 /nfs/dbraw/zinc/10/25/07/1116102507.db2.gz RFXDFPDWFCPMJH-UHFFFAOYSA-N -1 1 367.149 4.167 20 0 FIADMM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608367355 1116102754 /nfs/dbraw/zinc/10/27/54/1116102754.db2.gz PCOOQRGYSIHCHI-UHFFFAOYSA-N -1 1 350.777 4.032 20 0 FIADMM O=S(=O)([N-]c1c(O)cccc1F)c1ccc2oc3ccccc3c2c1 ZINC000608342036 1116103362 /nfs/dbraw/zinc/10/33/62/1116103362.db2.gz BZQWMDRVLAQFEQ-UHFFFAOYSA-N -1 1 357.362 4.232 20 0 FIADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000326993278 1116108396 /nfs/dbraw/zinc/10/83/96/1116108396.db2.gz ZBEBIFDYKFMNGA-AWEZNQCLSA-N -1 1 369.305 4.411 20 0 FIADMM CC[C@@H](C)C[C@@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000174116416 1116114486 /nfs/dbraw/zinc/11/44/86/1116114486.db2.gz MLSIOKBZRNZSTE-UKRRQHHQSA-N -1 1 360.527 4.247 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cc(Cl)c1[O-] ZINC000456085087 1116155855 /nfs/dbraw/zinc/15/58/55/1116155855.db2.gz HKNWKRJSBAHQCV-MWLCHTKSSA-N -1 1 365.779 4.247 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000534365268 1116191094 /nfs/dbraw/zinc/19/10/94/1116191094.db2.gz ZOORBMQOMDGVPF-UHFFFAOYSA-N -1 1 360.413 4.198 20 0 FIADMM CN(C(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1)c1ccccc1 ZINC000534594951 1116215796 /nfs/dbraw/zinc/21/57/96/1116215796.db2.gz UJMJHVOQQKBCHD-UHFFFAOYSA-N -1 1 364.376 4.060 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000456838552 1116224114 /nfs/dbraw/zinc/22/41/14/1116224114.db2.gz OFWSBRQEFTYPBH-HNNXBMFYSA-N -1 1 367.779 4.310 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c(C)c1 ZINC000534667465 1116224440 /nfs/dbraw/zinc/22/44/40/1116224440.db2.gz PDJVVAUMFBZLSV-UHFFFAOYSA-N -1 1 365.405 4.227 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1NC(=O)c1cccs1 ZINC000534705096 1116227641 /nfs/dbraw/zinc/22/76/41/1116227641.db2.gz NKWGHJGWKITDMM-UHFFFAOYSA-N -1 1 370.405 4.406 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC000457108461 1116248573 /nfs/dbraw/zinc/24/85/73/1116248573.db2.gz BBGKHOLXSCIMHI-UHFFFAOYSA-N -1 1 373.452 4.250 20 0 FIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535137212 1116273314 /nfs/dbraw/zinc/27/33/14/1116273314.db2.gz ICJRSLDCPAVYCM-UHFFFAOYSA-N -1 1 357.834 4.205 20 0 FIADMM COc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)sc1Br ZINC000535501523 1116315122 /nfs/dbraw/zinc/31/51/22/1116315122.db2.gz JNSLLPFQEZIVLS-UHFFFAOYSA-N -1 1 366.158 4.189 20 0 FIADMM Cc1oc([C@@H](C)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000519541132 1116362619 /nfs/dbraw/zinc/36/26/19/1116362619.db2.gz FQZGFSSXYSEQRI-DOMZBBRYSA-N -1 1 359.397 4.081 20 0 FIADMM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1cc(Cl)sc1Cl ZINC000462672782 1116386806 /nfs/dbraw/zinc/38/68/06/1116386806.db2.gz DSRMRKMVKXHDBG-UHFFFAOYSA-N -1 1 372.245 4.471 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)n1 ZINC000491284737 1117811523 /nfs/dbraw/zinc/81/15/23/1117811523.db2.gz REMOGLUMVYMASX-LLVKDONJSA-N -1 1 372.450 4.047 20 0 FIADMM CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)Cc3n[nH]c(=O)[n-]3)c2)cc1 ZINC000540349398 1117996077 /nfs/dbraw/zinc/99/60/77/1117996077.db2.gz NATKKICGXFCZLK-HNNXBMFYSA-N -1 1 366.465 4.158 20 0 FIADMM COC(=O)c1cccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)c1 ZINC000463220234 1118033197 /nfs/dbraw/zinc/03/31/97/1118033197.db2.gz QOHZTTXNPUFJSC-UHFFFAOYSA-N -1 1 356.381 4.456 20 0 FIADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(CC)c(-c3ccccc3)s2)n1 ZINC001272342210 1118205195 /nfs/dbraw/zinc/20/51/95/1118205195.db2.gz NLZSTUILCFFWQP-UHFFFAOYSA-N -1 1 369.446 4.130 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)cc1F ZINC000541307278 1118468726 /nfs/dbraw/zinc/46/87/26/1118468726.db2.gz JXNLSKGOLRPKPK-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)co1 ZINC000541844033 1118667543 /nfs/dbraw/zinc/66/75/43/1118667543.db2.gz VJWQKZDKKCMYRP-UHFFFAOYSA-N -1 1 360.464 4.023 20 0 FIADMM CCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000464932101 1118754096 /nfs/dbraw/zinc/75/40/96/1118754096.db2.gz AFHXUUIAKGFYTB-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1Cl ZINC000542093166 1118789287 /nfs/dbraw/zinc/78/92/87/1118789287.db2.gz OXJSANKCMGRNOB-UHFFFAOYSA-N -1 1 358.246 4.305 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc(C3CC3)no2)cc1C ZINC000542235440 1118855182 /nfs/dbraw/zinc/85/51/82/1118855182.db2.gz CXKODTOZHSIJPM-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM Cc1csc([C@@H]2CCCN(C(=O)c3ccc4ccccc4c3[O-])C2)n1 ZINC000174606671 1118933877 /nfs/dbraw/zinc/93/38/77/1118933877.db2.gz LOQJAOCSQNNFLF-OAHLLOKOSA-N -1 1 352.459 4.330 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)c1 ZINC000491864774 1118990096 /nfs/dbraw/zinc/99/00/96/1118990096.db2.gz GAPZWDJZQWODHX-UHFFFAOYSA-N -1 1 364.225 4.080 20 0 FIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(F)c(F)c3F)s2)cc1 ZINC000175876286 1119239515 /nfs/dbraw/zinc/23/95/15/1119239515.db2.gz HNICHEPYXMETJH-UHFFFAOYSA-N -1 1 363.364 4.107 20 0 FIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000177717682 1119347414 /nfs/dbraw/zinc/34/74/14/1119347414.db2.gz BTTUMAXLARUFET-UHFFFAOYSA-N -1 1 350.248 4.058 20 0 FIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000177718713 1119347544 /nfs/dbraw/zinc/34/75/44/1119347544.db2.gz LGNYHVWBUIPMKH-UHFFFAOYSA-N -1 1 362.209 4.136 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)o1 ZINC000517257638 1119483179 /nfs/dbraw/zinc/48/31/79/1119483179.db2.gz YCRWQSBMIBWILZ-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM COc1cc(C)sc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182929691 1119563175 /nfs/dbraw/zinc/56/31/75/1119563175.db2.gz KJMHBRYFSNZTOY-UHFFFAOYSA-N -1 1 356.241 4.094 20 0 FIADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541583 1119576590 /nfs/dbraw/zinc/57/65/90/1119576590.db2.gz FZCWXUHIFVZFOL-LSDHHAIUSA-N -1 1 360.479 4.108 20 0 FIADMM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541715 1119576856 /nfs/dbraw/zinc/57/68/56/1119576856.db2.gz KRIIYVJDBJIUKP-HOCLYGCPSA-N -1 1 374.506 4.417 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1Cl ZINC000184763028 1119622590 /nfs/dbraw/zinc/62/25/90/1119622590.db2.gz LYIYJUONVMQUJP-UHFFFAOYSA-N -1 1 355.868 4.065 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ncoc1-c1ccc(F)cc1 ZINC000185351385 1119657165 /nfs/dbraw/zinc/65/71/65/1119657165.db2.gz XOFOGXLXIPGPRR-UHFFFAOYSA-N -1 1 372.406 4.313 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2C[C@H]2C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000185766408 1119685650 /nfs/dbraw/zinc/68/56/50/1119685650.db2.gz HAAHGUFXGHXCSO-ROUUACIJSA-N -1 1 372.490 4.026 20 0 FIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000188947318 1119807516 /nfs/dbraw/zinc/80/75/16/1119807516.db2.gz WZUDAVWFQSCUPY-UHFFFAOYSA-N -1 1 372.490 4.268 20 0 FIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3C(C)C)cc2)o1 ZINC000189027525 1119818534 /nfs/dbraw/zinc/81/85/34/1119818534.db2.gz VVKIDAAPOXLTGI-UHFFFAOYSA-N -1 1 371.462 4.223 20 0 FIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccccc3C(C)C)ccc2[nH]1 ZINC000189057500 1119826643 /nfs/dbraw/zinc/82/66/43/1119826643.db2.gz MMSKNJGXIKXKJJ-UHFFFAOYSA-N -1 1 370.474 4.015 20 0 FIADMM O=C(Nc1cccc(N2CCCCC2=O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190932559 1119954187 /nfs/dbraw/zinc/95/41/87/1119954187.db2.gz CHHYNOBICUMMHE-UHFFFAOYSA-N -1 1 359.813 4.207 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1C ZINC000224431928 1119980728 /nfs/dbraw/zinc/98/07/28/1119980728.db2.gz OUMFPHNVBTXYHK-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000191890575 1120001131 /nfs/dbraw/zinc/00/11/31/1120001131.db2.gz IVKXQVUIVYKOLG-UHFFFAOYSA-N -1 1 367.470 4.343 20 0 FIADMM COc1ccc([C@@H](NC(=O)Nc2ccc([O-])c(Cl)c2)C(F)(F)F)cc1 ZINC000192273876 1120048982 /nfs/dbraw/zinc/04/89/82/1120048982.db2.gz RGDVYVAWIRGBKC-CQSZACIVSA-N -1 1 374.746 4.479 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1C ZINC000192713520 1120077012 /nfs/dbraw/zinc/07/70/12/1120077012.db2.gz ILIUWELFDAXTAP-UHFFFAOYSA-N -1 1 372.446 4.076 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cccc(Br)c1 ZINC000195452112 1120162053 /nfs/dbraw/zinc/16/20/53/1120162053.db2.gz MYXKTHAJRUFSPF-UHFFFAOYSA-N -1 1 362.195 4.188 20 0 FIADMM O=C(C=Cc1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000761746418 1120311638 /nfs/dbraw/zinc/31/16/38/1120311638.db2.gz USPHKTGDGSMBQR-KMKOMSMNSA-N -1 1 369.848 4.180 20 0 FIADMM Cc1cnc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)c([O-])c1 ZINC000494838653 1120339164 /nfs/dbraw/zinc/33/91/64/1120339164.db2.gz UAVZXHVMPZNENN-UHFFFAOYSA-N -1 1 350.393 4.077 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000153339006 1120515331 /nfs/dbraw/zinc/51/53/31/1120515331.db2.gz LXIMCHLRMQAGQS-VQIMIIECSA-N -1 1 367.470 4.335 20 0 FIADMM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000495171941 1120525458 /nfs/dbraw/zinc/52/54/58/1120525458.db2.gz YBOYZCMNASCECA-LBPRGKRZSA-N -1 1 371.437 4.288 20 0 FIADMM O=C([O-])c1cccc(CNCc2cc(Cl)ccc2Br)c1 ZINC000683176827 1120532576 /nfs/dbraw/zinc/53/25/76/1120532576.db2.gz SRBCZCUWTLNONJ-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM CCN(Cc1noc(-c2ccc3ccccc3c2[O-])n1)C(=O)OC(C)(C)C ZINC000761944507 1120596412 /nfs/dbraw/zinc/59/64/12/1120596412.db2.gz ATCDATNVYCSRRA-UHFFFAOYSA-N -1 1 369.421 4.352 20 0 FIADMM Cc1c(C(=O)[N-]c2nnc(C3CCCCC3)s2)oc2c1C(=O)CCC2 ZINC000915108271 1120808042 /nfs/dbraw/zinc/80/80/42/1120808042.db2.gz MIMTWVNGEYWYOB-UHFFFAOYSA-N -1 1 359.451 4.259 20 0 FIADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000762535460 1120926305 /nfs/dbraw/zinc/92/63/05/1120926305.db2.gz HNDUQTGYKKNZFA-ZDUSSCGKSA-N -1 1 360.454 4.144 20 0 FIADMM COc1cc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc(Cl)c1[O-] ZINC000153623740 1120995106 /nfs/dbraw/zinc/99/51/06/1120995106.db2.gz RYNRTCMZVWEHOZ-UHFFFAOYSA-N -1 1 355.221 4.026 20 0 FIADMM CC[C@@H](C)CN(CC)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000176629159 1121002681 /nfs/dbraw/zinc/00/26/81/1121002681.db2.gz GNILPFMQVKRQOM-CQSZACIVSA-N -1 1 360.527 4.201 20 0 FIADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1noc2c1CCCC2 ZINC000122707979 1121043416 /nfs/dbraw/zinc/04/34/16/1121043416.db2.gz BYYIBXOGZUEJAG-UHFFFAOYSA-N -1 1 356.369 4.302 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3sc(C)nc3c2)cc1 ZINC000781119951 1121066735 /nfs/dbraw/zinc/06/67/35/1121066735.db2.gz FSKKJAKIYJFDRN-UHFFFAOYSA-N -1 1 350.490 4.127 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c1 ZINC000031721545 1121090301 /nfs/dbraw/zinc/09/03/01/1121090301.db2.gz UNKSFWUXUABRIK-UHFFFAOYSA-N -1 1 367.854 4.131 20 0 FIADMM Cc1ccc(OC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1C ZINC000046399456 1121277489 /nfs/dbraw/zinc/27/74/89/1121277489.db2.gz ZKVDPKHTAHXBKF-UHFFFAOYSA-N -1 1 359.853 4.346 20 0 FIADMM Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046592021 1121283923 /nfs/dbraw/zinc/28/39/23/1121283923.db2.gz SNFZANSAYOZPTD-MRXNPFEDSA-N -1 1 370.474 4.091 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612047 1121284936 /nfs/dbraw/zinc/28/49/36/1121284936.db2.gz ZAXWNAYJDWACSO-MRXNPFEDSA-N -1 1 370.474 4.091 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)sc2c1)c1ccc(F)c(F)c1 ZINC000063879476 1121592884 /nfs/dbraw/zinc/59/28/84/1121592884.db2.gz NXAFZZGVYGGULW-UHFFFAOYSA-N -1 1 366.414 4.253 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)c(C)c1 ZINC000064374812 1121609303 /nfs/dbraw/zinc/60/93/03/1121609303.db2.gz NSAQMYCKKSWCOG-UHFFFAOYSA-N -1 1 357.884 4.180 20 0 FIADMM COc1ccccc1CSc1ccccc1[N-]C(=O)c1csnn1 ZINC000125713660 1121813683 /nfs/dbraw/zinc/81/36/83/1121813683.db2.gz MXRJGHFDWRWNPY-UHFFFAOYSA-N -1 1 357.460 4.091 20 0 FIADMM CC[C@@H](CC(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1)c1ccccc1 ZINC000068451984 1121829405 /nfs/dbraw/zinc/82/94/05/1121829405.db2.gz ALYMKKYDFWRKEQ-HNNXBMFYSA-N -1 1 372.538 4.250 20 0 FIADMM COC(=O)c1cccc2nc(NC(=O)C(C)=Cc3ccc(Cl)cc3)[nH]c21 ZINC001127419304 1121861179 /nfs/dbraw/zinc/86/11/79/1121861179.db2.gz OUTXDTHBOTWHHY-KHPPLWFESA-N -1 1 369.808 4.045 20 0 FIADMM O=C(Nc1ccccc1)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000671784969 1121973073 /nfs/dbraw/zinc/97/30/73/1121973073.db2.gz PTMAHGKZQKFJPN-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM CC(=O)Nc1cccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])c1 ZINC000186245767 1121983115 /nfs/dbraw/zinc/98/31/15/1121983115.db2.gz OZQXXMDMBLSCCQ-SECBINFHSA-N -1 1 367.218 4.425 20 0 FIADMM C[C@@H](Nc1cnn(CC2CC2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186358496 1122054202 /nfs/dbraw/zinc/05/42/02/1122054202.db2.gz ZJEAOLQEBPLMTO-SECBINFHSA-N -1 1 354.223 4.073 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1Cl ZINC000055584673 1122255630 /nfs/dbraw/zinc/25/56/30/1122255630.db2.gz FLYJBQUUQCDTGJ-UHFFFAOYSA-N -1 1 366.870 4.044 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000128837876 1122429046 /nfs/dbraw/zinc/42/90/46/1122429046.db2.gz JMICZNSTMCMFKK-GFCCVEGCSA-N -1 1 352.253 4.194 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000497871126 1122447739 /nfs/dbraw/zinc/44/77/39/1122447739.db2.gz ZGSKQRYDYZYXSS-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM Cc1ccc(F)c(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000556322517 1122808710 /nfs/dbraw/zinc/80/87/10/1122808710.db2.gz PICRMBOQKHWJJX-MRXNPFEDSA-N -1 1 355.331 4.459 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c2ccccc12 ZINC000072027122 1122968586 /nfs/dbraw/zinc/96/85/86/1122968586.db2.gz PTZPHDRFNOWIAN-UHFFFAOYSA-N -1 1 363.385 4.318 20 0 FIADMM O=C(CCc1ccc2ccccc2c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000919552817 1123041361 /nfs/dbraw/zinc/04/13/61/1123041361.db2.gz HHTGJFYORPIQFA-UHFFFAOYSA-N -1 1 374.392 4.328 20 0 FIADMM O=C(CCc1ccccc1O)Nc1c([O-])cc(Br)cc1Cl ZINC000556851591 1123134374 /nfs/dbraw/zinc/13/43/74/1123134374.db2.gz IYRDBCOGRSRRGM-UHFFFAOYSA-N -1 1 370.630 4.085 20 0 FIADMM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000131959149 1123204638 /nfs/dbraw/zinc/20/46/38/1123204638.db2.gz IWOAZYZYOFIWFU-ZDUSSCGKSA-N -1 1 353.447 4.052 20 0 FIADMM Cc1nonc1[N-]C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000170799656 1123298377 /nfs/dbraw/zinc/29/83/77/1123298377.db2.gz SFLWYXSJRUXVJE-UHFFFAOYSA-N -1 1 355.206 4.061 20 0 FIADMM CCC/C(C)=C/C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920290591 1123439677 /nfs/dbraw/zinc/43/96/77/1123439677.db2.gz MDLZUFRJKYVGQY-FYWRMAATSA-N -1 1 372.490 4.481 20 0 FIADMM CCOc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1OCC ZINC000920427169 1123451980 /nfs/dbraw/zinc/45/19/80/1123451980.db2.gz NOPJMIUDSFYYMY-LBPRGKRZSA-N -1 1 363.841 4.334 20 0 FIADMM CN(CCCOc1cccc(Cl)c1)C(=O)c1c([O-])cccc1Cl ZINC000920457330 1123459660 /nfs/dbraw/zinc/45/96/60/1123459660.db2.gz AWBIIQZOPRNXDY-UHFFFAOYSA-N -1 1 354.233 4.240 20 0 FIADMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1c([O-])cccc1Cl ZINC000920452904 1123459717 /nfs/dbraw/zinc/45/97/17/1123459717.db2.gz YWBURIHXZLLRLZ-SNVBAGLBSA-N -1 1 368.658 4.169 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1 ZINC000133567189 1123499842 /nfs/dbraw/zinc/49/98/42/1123499842.db2.gz COAVQHYYQWOVSZ-UHFFFAOYSA-N -1 1 366.339 4.098 20 0 FIADMM CC(C)c1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)no1 ZINC000134040683 1123586901 /nfs/dbraw/zinc/58/69/01/1123586901.db2.gz XHSMIBRUJARZFL-UHFFFAOYSA-N -1 1 360.464 4.194 20 0 FIADMM CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)c2cc(Br)ccc21 ZINC000921258748 1123603855 /nfs/dbraw/zinc/60/38/55/1123603855.db2.gz AKBIEICFUAASQU-WUXMJOGZSA-N -1 1 364.626 4.325 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CC34CC(OCC)C4)n2)cc(Cl)c1[O-] ZINC000866972557 1123657485 /nfs/dbraw/zinc/65/74/85/1123657485.db2.gz STDNEWLETWWLNA-LASWEOPPSA-N -1 1 364.829 4.167 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC001212256341 1123664487 /nfs/dbraw/zinc/66/44/87/1123664487.db2.gz CQNNMSWACNVBLM-SECBINFHSA-N -1 1 370.824 4.001 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)C2CCCCC2)c1 ZINC000175344818 1123843342 /nfs/dbraw/zinc/84/33/42/1123843342.db2.gz IAMAMENNRWGKLM-HNNXBMFYSA-N -1 1 372.538 4.391 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)cc1 ZINC000080716193 1123971812 /nfs/dbraw/zinc/97/18/12/1123971812.db2.gz YUNAFWQWDMOWTP-UHFFFAOYSA-N -1 1 374.506 4.442 20 0 FIADMM CCC[C@@H](C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1)c1ccccc1 ZINC000068453895 1124247997 /nfs/dbraw/zinc/24/79/97/1124247997.db2.gz PPHNLPRTRUDZDS-QGZVFWFLSA-N -1 1 372.538 4.250 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000180515942 1124358561 /nfs/dbraw/zinc/35/85/61/1124358561.db2.gz NSMDQYNGVWWXFB-FRFSOERESA-N -1 1 374.481 4.390 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC000756331971 1124584447 /nfs/dbraw/zinc/58/44/47/1124584447.db2.gz DCGKKSPQJGFIAM-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849286 1124957787 /nfs/dbraw/zinc/95/77/87/1124957787.db2.gz SXUXIYCPFGCEKY-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(F)(F)F)c1 ZINC000064375248 1124995584 /nfs/dbraw/zinc/99/55/84/1124995584.db2.gz YROZNYHPHZNQBA-UHFFFAOYSA-N -1 1 359.369 4.213 20 0 FIADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc(C3CCCC3)cc2)c1 ZINC001212458280 1125129270 /nfs/dbraw/zinc/12/92/70/1125129270.db2.gz YWIKKXPMCLAADS-UHFFFAOYSA-N -1 1 360.435 4.060 20 0 FIADMM COC(=O)c1cc(OC)c(Nc2cc(F)c([O-])c(Cl)c2)cc1Cl ZINC001214491993 1125173954 /nfs/dbraw/zinc/17/39/54/1125173954.db2.gz OJRVTJFXSVQXMT-UHFFFAOYSA-N -1 1 360.168 4.377 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)oc1C ZINC000618475304 1125188935 /nfs/dbraw/zinc/18/89/35/1125188935.db2.gz XQLXGLPIIVFPQZ-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)[C@H]2CCCC[C@@H]12 ZINC000656762898 1125206144 /nfs/dbraw/zinc/20/61/44/1125206144.db2.gz DFUBSHQFAALXFH-ZNMIVQPWSA-N -1 1 373.827 4.407 20 0 FIADMM CC(C)Cc1nnc([N-]C(=O)c2csc(-c3cccs3)n2)s1 ZINC000104947880 206004066 /nfs/dbraw/zinc/00/40/66/206004066.db2.gz XRYHPOBMZBQPRM-UHFFFAOYSA-N -1 1 350.494 4.174 20 0 FIADMM C[C@H]1CCCC[C@H]1CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000603961846 568190500 /nfs/dbraw/zinc/19/05/00/568190500.db2.gz TWCKTTCLYHMUDU-IRXDYDNUSA-N -1 1 372.509 4.213 20 0 FIADMM CC(C)n1ncc2cc(NC(=O)c3cc(Br)ccc3[O-])ccc21 ZINC000605026007 568530866 /nfs/dbraw/zinc/53/08/66/568530866.db2.gz RTRCYNJTWZHPFK-UHFFFAOYSA-N -1 1 374.238 4.338 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c(C)c1F ZINC000543032466 1125510753 /nfs/dbraw/zinc/51/07/53/1125510753.db2.gz KPHKICPFGGPMRI-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182863268 1125654562 /nfs/dbraw/zinc/65/45/62/1125654562.db2.gz DDIHTHRTTUBXPS-UHFFFAOYSA-N -1 1 370.877 4.459 20 0 FIADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182877326 1125660135 /nfs/dbraw/zinc/66/01/35/1125660135.db2.gz BTKCSIVMQMIWBX-BXKDBHETSA-N -1 1 362.788 4.032 20 0 FIADMM Cc1cccc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000683112071 1079599297 /nfs/dbraw/zinc/59/92/97/1079599297.db2.gz CKHULWLOAWKJGP-UHFFFAOYSA-N -1 1 371.864 4.018 20 0 FIADMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001625781175 1079634087 /nfs/dbraw/zinc/63/40/87/1079634087.db2.gz CXYCIOPNVBXLQN-CYBMUJFWSA-N -1 1 368.408 4.358 20 0 FIADMM COc1cc(C(=O)[N-]c2nc(-c3ccccc3C(F)(F)F)cs2)on1 ZINC000153309229 1125772470 /nfs/dbraw/zinc/77/24/70/1125772470.db2.gz ZBBKTEVHROBSNU-UHFFFAOYSA-N -1 1 369.324 4.078 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000683173174 1079805952 /nfs/dbraw/zinc/80/59/52/1079805952.db2.gz FWZXXQNSQZWQAR-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(C(F)F)s3)s2)o1 ZINC000108999291 1079911093 /nfs/dbraw/zinc/91/10/93/1079911093.db2.gz XUUWEHXSROKTGE-UHFFFAOYSA-N -1 1 356.379 4.061 20 0 FIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)Cc1cccc2ccccc21 ZINC000064709236 1079920427 /nfs/dbraw/zinc/92/04/27/1079920427.db2.gz XVLFGNRELRGTAO-UHFFFAOYSA-N -1 1 372.424 4.207 20 0 FIADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1sccc1OC(F)F ZINC000109110388 1080047077 /nfs/dbraw/zinc/04/70/77/1080047077.db2.gz OYQTTWIMOAJGOO-UHFFFAOYSA-N -1 1 359.404 4.182 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1cc(F)c(F)c(F)c1 ZINC000157666657 1080061100 /nfs/dbraw/zinc/06/11/00/1080061100.db2.gz IIUIHNCMDHZVJL-UHFFFAOYSA-N -1 1 370.377 4.028 20 0 FIADMM COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000430270213 1080279453 /nfs/dbraw/zinc/27/94/53/1080279453.db2.gz RAUREOLDISRWLQ-UHFFFAOYSA-N -1 1 374.593 4.208 20 0 FIADMM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(Br)cc2Cl)C1 ZINC000232749183 1080356820 /nfs/dbraw/zinc/35/68/20/1080356820.db2.gz JUVFXTUKANCSHV-HNNXBMFYSA-N -1 1 360.679 4.035 20 0 FIADMM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(Br)cc2Cl)C1 ZINC000232781786 1080358214 /nfs/dbraw/zinc/35/82/14/1080358214.db2.gz JUVFXTUKANCSHV-OAHLLOKOSA-N -1 1 360.679 4.035 20 0 FIADMM Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])CC2 ZINC000077613691 1080472019 /nfs/dbraw/zinc/47/20/19/1080472019.db2.gz XUSTWDWKHZWYDD-UHFFFAOYSA-N -1 1 368.433 4.251 20 0 FIADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccccc1C(F)(F)F ZINC000180291766 1080477077 /nfs/dbraw/zinc/47/70/77/1080477077.db2.gz NRCKIOGHNRTFFQ-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000037385943 1080484368 /nfs/dbraw/zinc/48/43/68/1080484368.db2.gz HBTQBRXANITREY-UHFFFAOYSA-N -1 1 368.296 4.375 20 0 FIADMM CCC[C@H](C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109761405 1080689795 /nfs/dbraw/zinc/68/97/95/1080689795.db2.gz WNRXHSQGGJDIDQ-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)cc2s1 ZINC000780365297 1080729578 /nfs/dbraw/zinc/72/95/78/1080729578.db2.gz KUNXRCZMUQCBJJ-UHFFFAOYSA-N -1 1 354.403 4.343 20 0 FIADMM Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC001648793832 1080753271 /nfs/dbraw/zinc/75/32/71/1080753271.db2.gz MUVUQJWRFYJUEX-UHFFFAOYSA-N -1 1 360.385 4.439 20 0 FIADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499993 1080832621 /nfs/dbraw/zinc/83/26/21/1080832621.db2.gz VVYKVBQDOICIAF-QWHCGFSZSA-N -1 1 365.424 4.315 20 0 FIADMM Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(C)c1 ZINC000683454955 1081028846 /nfs/dbraw/zinc/02/88/46/1081028846.db2.gz PZVRTCGJEUPORQ-CYBMUJFWSA-N -1 1 357.479 4.104 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc(Cl)cc(Br)c1F ZINC000683495519 1081038483 /nfs/dbraw/zinc/03/84/83/1081038483.db2.gz SFMFOJMDDMLIQT-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)C(=O)c1ccc([O-])cc1 ZINC001648839930 1081282161 /nfs/dbraw/zinc/28/21/61/1081282161.db2.gz YSBSZXWEWSSZES-IBGZPJMESA-N -1 1 355.409 4.152 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001648850659 1081295884 /nfs/dbraw/zinc/29/58/84/1081295884.db2.gz KXKFVSMWNZOICK-UHFFFAOYSA-N -1 1 365.336 4.262 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])c(F)c2)cnn1-c1cccc(C)c1 ZINC000683650112 1081308042 /nfs/dbraw/zinc/30/80/42/1081308042.db2.gz BQHRHEIFXLVHCI-UHFFFAOYSA-N -1 1 353.397 4.230 20 0 FIADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000325293247 1081377459 /nfs/dbraw/zinc/37/74/59/1081377459.db2.gz RTUWIZWVPKEOAA-GFCCVEGCSA-N -1 1 361.816 4.264 20 0 FIADMM CCOc1cc(-c2nc(C3(c4ccncc4)CCC3)no2)cc(Cl)c1[O-] ZINC000656035072 1081484445 /nfs/dbraw/zinc/48/44/45/1081484445.db2.gz USZZTPQAQJAFSQ-UHFFFAOYSA-N -1 1 371.824 4.359 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000683824697 1081715595 /nfs/dbraw/zinc/71/55/95/1081715595.db2.gz HDDAFGQOBLRNEK-UHFFFAOYSA-N -1 1 368.458 4.204 20 0 FIADMM CON(C(=O)c1ccc([O-])cc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001167365250 1081734043 /nfs/dbraw/zinc/73/40/43/1081734043.db2.gz UQCFJSFMJSISSC-JTQLQIEISA-N -1 1 357.303 4.315 20 0 FIADMM CCOc1cc(C(=O)N2CCOc3ccccc3[C@H]2C)cc(Cl)c1[O-] ZINC001167375727 1081806679 /nfs/dbraw/zinc/80/66/79/1081806679.db2.gz PNJHHPCTGPWTCH-GFCCVEGCSA-N -1 1 361.825 4.040 20 0 FIADMM CN(Cc1cc(Br)cs1)C(=O)c1c([O-])cccc1Cl ZINC000049090195 1081855704 /nfs/dbraw/zinc/85/57/04/1081855704.db2.gz OXHSLGOAYVPPOC-UHFFFAOYSA-N -1 1 360.660 4.142 20 0 FIADMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937775 1081964114 /nfs/dbraw/zinc/96/41/14/1081964114.db2.gz LNWWYDUOHJGJAO-UHFFFAOYSA-N -1 1 357.378 4.081 20 0 FIADMM CSc1cc2c(cc1[N-]C(=O)c1coc(-c3ccccc3)n1)OCCO2 ZINC000119134147 1081968534 /nfs/dbraw/zinc/96/85/34/1081968534.db2.gz YQZGGYFLOPANAL-UHFFFAOYSA-N -1 1 368.414 4.087 20 0 FIADMM CCC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580838304 1082182083 /nfs/dbraw/zinc/18/20/83/1082182083.db2.gz CQSXBCDHYAZPCT-ABAIWWIYSA-N -1 1 358.251 4.226 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000088086106 1082498821 /nfs/dbraw/zinc/49/88/21/1082498821.db2.gz OAURKWVJNJNTKN-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCc1cc2c(COC(=O)CCCc3ccccc3)cc(=O)oc2cc1[O-] ZINC000728329267 1082532170 /nfs/dbraw/zinc/53/21/70/1082532170.db2.gz UORCRMUHQIAYJH-UHFFFAOYSA-N -1 1 366.413 4.127 20 0 FIADMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(C)c1 ZINC000656567255 1082582976 /nfs/dbraw/zinc/58/29/76/1082582976.db2.gz IZFILKGYLBQCSH-UHFFFAOYSA-N -1 1 354.450 4.044 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1Br)c1ccccc1 ZINC000090251200 1082958153 /nfs/dbraw/zinc/95/81/53/1082958153.db2.gz AXMJIKZABKVXSO-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1csc(C(F)(F)F)n1 ZINC000684469266 1083024494 /nfs/dbraw/zinc/02/44/94/1083024494.db2.gz CJPAGMJTXYDPJQ-ARJAWSKDSA-N -1 1 372.353 4.029 20 0 FIADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233147 1083593601 /nfs/dbraw/zinc/59/36/01/1083593601.db2.gz JKZBVEZPZSESCW-NSHDSACASA-N -1 1 362.857 4.078 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@H]2CCCC[C@@H]12 ZINC000535722731 1083602365 /nfs/dbraw/zinc/60/23/65/1083602365.db2.gz CPQLMWCJMDCOLI-ZLDLUXBVSA-N -1 1 352.272 4.196 20 0 FIADMM C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000053111331 1083950359 /nfs/dbraw/zinc/95/03/59/1083950359.db2.gz CRKICUAZXUCTPG-UHFFFAOYSA-N -1 1 363.335 4.149 20 0 FIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000472028729 1084107726 /nfs/dbraw/zinc/10/77/26/1084107726.db2.gz GHZBCXBIFPWMSQ-GFCCVEGCSA-N -1 1 357.435 4.456 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)cc(Cl)c1[O-] ZINC000413987304 1084230235 /nfs/dbraw/zinc/23/02/35/1084230235.db2.gz NLFVWOWFRHJTFH-INIZCTEOSA-N -1 1 371.864 4.464 20 0 FIADMM COc1cc(C(=O)N2CC(c3ccccc3)(C(C)C)C2)cc(Cl)c1[O-] ZINC000413999865 1084250871 /nfs/dbraw/zinc/25/08/71/1084250871.db2.gz YZOUCTOBZIBHMH-UHFFFAOYSA-N -1 1 359.853 4.104 20 0 FIADMM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(F)ccc1[O-] ZINC000414027304 1084314589 /nfs/dbraw/zinc/31/45/89/1084314589.db2.gz XAWSZLQPIZBGBE-CQSZACIVSA-N -1 1 372.440 4.028 20 0 FIADMM Cc1ccc(-c2nc(CSc3nc(C(F)F)cc(=O)[n-]3)cs2)o1 ZINC000582209996 1084772407 /nfs/dbraw/zinc/77/24/07/1084772407.db2.gz RBSKXOUCIYJSHG-UHFFFAOYSA-N -1 1 355.391 4.437 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000684855354 1084956609 /nfs/dbraw/zinc/95/66/09/1084956609.db2.gz ATTKXIQYDLUWEE-DFQSSKMNSA-N -1 1 353.462 4.091 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000684857701 1084963232 /nfs/dbraw/zinc/96/32/32/1084963232.db2.gz LBDJXMSQNVEXDA-DFQSSKMNSA-N -1 1 353.462 4.091 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(OCC2CCCC2)CC1 ZINC000175591535 1084969936 /nfs/dbraw/zinc/96/99/36/1084969936.db2.gz OWZGPVSHVQHAIX-UHFFFAOYSA-N -1 1 353.462 4.357 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1O ZINC000685901784 1084977759 /nfs/dbraw/zinc/97/77/59/1084977759.db2.gz LQKKUMXMHLIOPN-UHFFFAOYSA-N -1 1 359.369 4.137 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000684862268 1084978308 /nfs/dbraw/zinc/97/83/08/1084978308.db2.gz MDOHLVFPACGJEE-DVMWJLJYSA-N -1 1 367.489 4.337 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000684862307 1084978601 /nfs/dbraw/zinc/97/86/01/1084978601.db2.gz MDOHLVFPACGJEE-IDCXYZFESA-N -1 1 367.489 4.337 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)cc1 ZINC000685903064 1084991749 /nfs/dbraw/zinc/99/17/49/1084991749.db2.gz CYHTZDKLXWAVOE-UHFFFAOYSA-N -1 1 366.433 4.064 20 0 FIADMM O=C(Nc1ccc(Br)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868848 1084992527 /nfs/dbraw/zinc/99/25/27/1084992527.db2.gz HJJDFRNPZRQOPW-UHFFFAOYSA-N -1 1 360.129 4.426 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873774 1085010496 /nfs/dbraw/zinc/01/04/96/1085010496.db2.gz KUYKCJMGTTUJRH-SFHVURJKSA-N -1 1 372.346 4.325 20 0 FIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875571 1085016185 /nfs/dbraw/zinc/01/61/85/1085016185.db2.gz KFTHIXFXHNJBGP-OAHLLOKOSA-N -1 1 352.356 4.419 20 0 FIADMM CC(C)=CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000022927785 1085021288 /nfs/dbraw/zinc/02/12/88/1085021288.db2.gz FSMFJDRIJGSQCL-UHFFFAOYSA-N -1 1 364.854 4.046 20 0 FIADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176675821 1085061602 /nfs/dbraw/zinc/06/16/02/1085061602.db2.gz HJHBNIDSBOHLHP-VXGBXAGGSA-N -1 1 364.540 4.000 20 0 FIADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1csc(CCc2ccccc2)n1 ZINC000582558088 1085133453 /nfs/dbraw/zinc/13/34/53/1085133453.db2.gz JCGQTLDXDFYMBZ-VKJFTORMSA-N -1 1 358.507 4.002 20 0 FIADMM CC(C)Cc1nnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)s1 ZINC000047528074 1085146271 /nfs/dbraw/zinc/14/62/71/1085146271.db2.gz IYBQARNNRBAUNR-UHFFFAOYSA-N -1 1 362.842 4.297 20 0 FIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000432188590 1085155109 /nfs/dbraw/zinc/15/51/09/1085155109.db2.gz WGRBPLISCFLFBL-UHFFFAOYSA-N -1 1 371.458 4.056 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000511210399 1085853670 /nfs/dbraw/zinc/85/36/70/1085853670.db2.gz VUZAPOZMGQZIEH-UHFFFAOYSA-N -1 1 370.430 4.073 20 0 FIADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000583147238 1086284641 /nfs/dbraw/zinc/28/46/41/1086284641.db2.gz KIHAUJHBEMOOQZ-SFHVURJKSA-N -1 1 357.837 4.061 20 0 FIADMM CCCn1nccc1CN[C@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000663260411 1086339322 /nfs/dbraw/zinc/33/93/22/1086339322.db2.gz SRMYYXCQBGWUQO-MRXNPFEDSA-N -1 1 370.280 4.296 20 0 FIADMM O=C([O-])CCC1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000662215042 1086340959 /nfs/dbraw/zinc/34/09/59/1086340959.db2.gz DWLLXWDJNJOFHR-UHFFFAOYSA-N -1 1 366.433 4.165 20 0 FIADMM Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000043142984 1086354423 /nfs/dbraw/zinc/35/44/23/1086354423.db2.gz CXYJDMZULSTMIB-UHFFFAOYSA-N -1 1 352.434 4.136 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(OCc2ccccc2F)CC1 ZINC000092058388 1086371182 /nfs/dbraw/zinc/37/11/82/1086371182.db2.gz FLAFMQSHBBZVAB-UHFFFAOYSA-N -1 1 363.816 4.006 20 0 FIADMM CCOc1cc(-c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)cc(Br)c1[O-] ZINC000663302233 1086388014 /nfs/dbraw/zinc/38/80/14/1086388014.db2.gz CLLYQTNJNPPMPE-JZYVYDRUSA-N -1 1 365.227 4.117 20 0 FIADMM Cc1noc(C)c1CSCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278210988 1086590486 /nfs/dbraw/zinc/59/04/86/1086590486.db2.gz QGZZYSCUPQQLAC-UHFFFAOYSA-N -1 1 351.815 4.134 20 0 FIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1csc(-c2ccc(Cl)cc2)c1 ZINC000432409820 1086731256 /nfs/dbraw/zinc/73/12/56/1086731256.db2.gz JIFNNGCMUXDAMK-UHFFFAOYSA-N -1 1 372.759 4.458 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000006315515 1086752364 /nfs/dbraw/zinc/75/23/64/1086752364.db2.gz UKQVJIHXVKQSNG-UHFFFAOYSA-N -1 1 357.403 4.005 20 0 FIADMM CC(C)C(=O)Nc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000236828845 1086867236 /nfs/dbraw/zinc/86/72/36/1086867236.db2.gz AUBUASRCWKAHFF-UHFFFAOYSA-N -1 1 363.255 4.361 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1C ZINC000536104887 1086921019 /nfs/dbraw/zinc/92/10/19/1086921019.db2.gz XXJFUOXFYXCDSL-UHFFFAOYSA-N -1 1 361.463 4.033 20 0 FIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000583904106 1087023436 /nfs/dbraw/zinc/02/34/36/1087023436.db2.gz BUVIOPHMIOAEKF-CQSZACIVSA-N -1 1 356.447 4.213 20 0 FIADMM C[C@H](c1cc(F)ccc1F)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000584236941 1087228022 /nfs/dbraw/zinc/22/80/22/1087228022.db2.gz DHMLCKNCGZJZAS-LLVKDONJSA-N -1 1 369.795 4.388 20 0 FIADMM O=C(Nc1ccccc1NC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000094090885 1087463821 /nfs/dbraw/zinc/46/38/21/1087463821.db2.gz XNIXQSAUEJPUAO-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000107350232 1087466471 /nfs/dbraw/zinc/46/64/71/1087466471.db2.gz QVJAJSPZEXOUKG-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(Cl)cc1F ZINC000039549012 1087504145 /nfs/dbraw/zinc/50/41/45/1087504145.db2.gz CDIKEDCSBGAOGS-UHFFFAOYSA-N -1 1 368.846 4.100 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000171208508 1087518533 /nfs/dbraw/zinc/51/85/33/1087518533.db2.gz DCJPEHNJSISYOE-IBGZPJMESA-N -1 1 369.367 4.037 20 0 FIADMM Cc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c(Cl)c1 ZINC000511280779 1087549767 /nfs/dbraw/zinc/54/97/67/1087549767.db2.gz ONFPITURPWHSRL-UHFFFAOYSA-N -1 1 367.854 4.271 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)cc(Cl)c1[O-] ZINC000186652715 1087686420 /nfs/dbraw/zinc/68/64/20/1087686420.db2.gz YARVOBBXMHUFMM-UHFFFAOYSA-N -1 1 358.781 4.352 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1 ZINC000685916551 1087919188 /nfs/dbraw/zinc/91/91/88/1087919188.db2.gz MOCVWVAXPANBTJ-UHFFFAOYSA-N -1 1 356.472 4.271 20 0 FIADMM CCOc1cc(C(=O)Nc2cc(CC(C)(C)C)nn2C)cc(Cl)c1[O-] ZINC000186794043 1087990778 /nfs/dbraw/zinc/99/07/78/1087990778.db2.gz LNXFQPCEDNQMJC-UHFFFAOYSA-N -1 1 365.861 4.019 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000186832175 1088000976 /nfs/dbraw/zinc/00/09/76/1088000976.db2.gz JFWKNHYANRZYEJ-OAHLLOKOSA-N -1 1 359.853 4.149 20 0 FIADMM CCOc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C)cc(Cl)c1[O-] ZINC000186885142 1088027799 /nfs/dbraw/zinc/02/77/99/1088027799.db2.gz VTBHIGOQTKABJP-UHFFFAOYSA-N -1 1 371.824 4.191 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)c2cccc(F)c2F)cc(Cl)c1[O-] ZINC000186981828 1088065334 /nfs/dbraw/zinc/06/53/34/1088065334.db2.gz FPGDLQANZOZPQE-VIFPVBQESA-N -1 1 355.768 4.214 20 0 FIADMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000605589183 1088127208 /nfs/dbraw/zinc/12/72/08/1088127208.db2.gz OAIVMTPPZKZBOI-JTQLQIEISA-N -1 1 374.717 4.130 20 0 FIADMM CCSc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000505312715 1088345638 /nfs/dbraw/zinc/34/56/38/1088345638.db2.gz RHKBAAUMRYMAJJ-UHFFFAOYSA-N -1 1 372.309 4.362 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc2c(c1)CCCC2 ZINC000513817344 1088411857 /nfs/dbraw/zinc/41/18/57/1088411857.db2.gz GAXUCTMQCYFDTK-UHFFFAOYSA-N -1 1 354.431 4.021 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000650960501 1088438632 /nfs/dbraw/zinc/43/86/32/1088438632.db2.gz KMOVWPKZJPYBHT-WDSOQIARSA-N -1 1 357.837 4.180 20 0 FIADMM CCOc1cc(C(=O)NCC2CC(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000549154621 1089044002 /nfs/dbraw/zinc/04/40/02/1089044002.db2.gz JRDMZRYKRWCSRI-UHFFFAOYSA-N -1 1 359.853 4.368 20 0 FIADMM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001143491607 1089207676 /nfs/dbraw/zinc/20/76/76/1089207676.db2.gz PXIWAODMQRVHLK-GOSISDBHSA-N -1 1 367.493 4.323 20 0 FIADMM COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613664427 1089230680 /nfs/dbraw/zinc/23/06/80/1089230680.db2.gz OCYMRPGPTUETCK-UHFFFAOYSA-N -1 1 359.385 4.196 20 0 FIADMM O=S(=O)([N-][C@@H]1CCCc2occc21)c1c(Cl)cc(F)cc1Cl ZINC000435427456 1089645733 /nfs/dbraw/zinc/64/57/33/1089645733.db2.gz MCMHSGXVOCOOCX-GFCCVEGCSA-N -1 1 364.225 4.081 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000515029116 1089725793 /nfs/dbraw/zinc/72/57/93/1089725793.db2.gz HKMVHPDLCWAHHZ-UHFFFAOYSA-N -1 1 373.499 4.405 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)s1 ZINC000435738149 1089917440 /nfs/dbraw/zinc/91/74/40/1089917440.db2.gz PCKACJVKBLBTHV-UHFFFAOYSA-N -1 1 372.309 4.109 20 0 FIADMM O=C([O-])c1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1Cl ZINC000515305889 1089946675 /nfs/dbraw/zinc/94/66/75/1089946675.db2.gz KOBQQXPDWDCEAB-LBPRGKRZSA-N -1 1 351.780 4.306 20 0 FIADMM O=C(COc1ccc(Cl)c2ccccc12)Nc1cc([O-])c(F)cc1F ZINC001625893765 1089965468 /nfs/dbraw/zinc/96/54/68/1089965468.db2.gz MJXFHABVKAJOAK-UHFFFAOYSA-N -1 1 363.747 4.495 20 0 FIADMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccccc3)ccc2C)c1 ZINC000460826274 1090000855 /nfs/dbraw/zinc/00/08/55/1090000855.db2.gz GFNZKPJKRARYNU-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001625896415 1090728980 /nfs/dbraw/zinc/72/89/80/1090728980.db2.gz LZHBURLIVVSNGI-UHFFFAOYSA-N -1 1 367.657 4.475 20 0 FIADMM O=C([O-])c1ccc(CN2CCC(Oc3ccccc3Cl)CC2)c(F)c1 ZINC000584726383 1090788931 /nfs/dbraw/zinc/78/89/31/1090788931.db2.gz XOHNBBFFRQOLJQ-UHFFFAOYSA-N -1 1 363.816 4.221 20 0 FIADMM COCc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000417559468 1090924956 /nfs/dbraw/zinc/92/49/56/1090924956.db2.gz IINMLMNPQOXKNX-OAHLLOKOSA-N -1 1 358.221 4.038 20 0 FIADMM Cc1nn(C(C)C)cc1CN[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000417571684 1090926263 /nfs/dbraw/zinc/92/62/63/1090926263.db2.gz XQJFBFVJQHJJPT-MRXNPFEDSA-N -1 1 370.280 4.385 20 0 FIADMM CC(C)(C)c1n[nH]cc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417577447 1090930087 /nfs/dbraw/zinc/93/00/87/1090930087.db2.gz JOMWCUXNLJFSGE-CQSZACIVSA-N -1 1 369.387 4.032 20 0 FIADMM COc1ccc2oc(CN[C@H](CCSc3ccccc3)C(=O)[O-])cc2c1 ZINC000417619005 1090940102 /nfs/dbraw/zinc/94/01/02/1090940102.db2.gz KISDTESYHAHGKJ-GOSISDBHSA-N -1 1 371.458 4.167 20 0 FIADMM O=C([O-])[C@H](CC1CC1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000417613021 1090943160 /nfs/dbraw/zinc/94/31/60/1090943160.db2.gz YJPKRTYMMDFJBW-HNNXBMFYSA-N -1 1 364.239 4.052 20 0 FIADMM CCc1ccc(CN[C@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])o1 ZINC000417641759 1090952713 /nfs/dbraw/zinc/95/27/13/1090952713.db2.gz RSRNTCDGVCFPSC-ZBEGNZNMSA-N -1 1 366.255 4.156 20 0 FIADMM COc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c2ccccc12 ZINC000417698470 1090964523 /nfs/dbraw/zinc/96/45/23/1090964523.db2.gz GGPGRCGKEANTFP-UHFFFAOYSA-N -1 1 362.429 4.109 20 0 FIADMM O=C([O-])c1ccc(CNCc2cc(Cl)cc(Cl)c2)nc1C1CC1 ZINC000417701000 1090964651 /nfs/dbraw/zinc/96/46/51/1090964651.db2.gz JHCRACPJCNQURN-UHFFFAOYSA-N -1 1 351.233 4.254 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3cnn(CC)c3c2)cc1 ZINC000500303208 1091245759 /nfs/dbraw/zinc/24/57/59/1091245759.db2.gz LIUCDOSKUAGGDE-AWEZNQCLSA-N -1 1 357.479 4.371 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000500323281 1091286382 /nfs/dbraw/zinc/28/63/82/1091286382.db2.gz CLIZIHSGHXWRHS-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CC(C)(C)c1cnc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)s1 ZINC000279625569 1091947280 /nfs/dbraw/zinc/94/72/80/1091947280.db2.gz UEHLQTUETFXYSS-CYBMUJFWSA-N -1 1 356.451 4.112 20 0 FIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)cc1 ZINC000442226483 1092498992 /nfs/dbraw/zinc/49/89/92/1092498992.db2.gz ATRWMSMPQDTKDB-UHFFFAOYSA-N -1 1 366.870 4.106 20 0 FIADMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2Br)cc1 ZINC000426713162 1092570274 /nfs/dbraw/zinc/57/02/74/1092570274.db2.gz BZHVVSJKRCJWAY-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1 ZINC000508388460 1092582404 /nfs/dbraw/zinc/58/24/04/1092582404.db2.gz LKBRFDDLJPTFQK-OAHLLOKOSA-N -1 1 355.463 4.187 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cccc(Cl)c3Cl)[nH][n-]2)s1 ZINC000500859241 1092655647 /nfs/dbraw/zinc/65/56/47/1092655647.db2.gz PZJBBXJEIYYSPK-UHFFFAOYSA-N -1 1 352.246 4.428 20 0 FIADMM CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Cl ZINC000442728901 1092739221 /nfs/dbraw/zinc/73/92/21/1092739221.db2.gz LOMQQFJZQWUGQJ-UHFFFAOYSA-N -1 1 356.205 4.359 20 0 FIADMM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442864378 1092810356 /nfs/dbraw/zinc/81/03/56/1092810356.db2.gz ZCMGIRIINWDRJN-UHFFFAOYSA-N -1 1 351.805 4.246 20 0 FIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000473416093 1092837398 /nfs/dbraw/zinc/83/73/98/1092837398.db2.gz XEFLFUPUTSGKDZ-UHFFFAOYSA-N -1 1 363.442 4.135 20 0 FIADMM COc1cc(C(=O)Nc2ccc(OC(C)C)cc2F)cc(Cl)c1[O-] ZINC000442940423 1092875859 /nfs/dbraw/zinc/87/58/59/1092875859.db2.gz BXIYAOUZLTVTAP-UHFFFAOYSA-N -1 1 353.777 4.233 20 0 FIADMM COc1cc(C(=O)N[C@@H](c2nccs2)c2ccccc2)cc(Cl)c1[O-] ZINC000442963068 1092890992 /nfs/dbraw/zinc/89/09/92/1092890992.db2.gz FBQMZQILNBLBIE-OAHLLOKOSA-N -1 1 374.849 4.030 20 0 FIADMM Cc1cccc(C2(C(=O)NCCc3n[n-]c(=S)n3C(C)C)CCCC2)c1 ZINC000067074196 1092908342 /nfs/dbraw/zinc/90/83/42/1092908342.db2.gz ZLNLUGKKNOHCJH-UHFFFAOYSA-N -1 1 372.538 4.001 20 0 FIADMM CC[C@H](C)n1ncc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1C1CC1 ZINC000443067964 1092926853 /nfs/dbraw/zinc/92/68/53/1092926853.db2.gz HPSJIUIDSXQWRX-JTQLQIEISA-N -1 1 363.845 4.351 20 0 FIADMM CC[C@@H](CSc1ccccc1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443055991 1092929872 /nfs/dbraw/zinc/92/98/72/1092929872.db2.gz XKBRWGGDXXAXCC-ZDUSSCGKSA-N -1 1 365.882 4.355 20 0 FIADMM O=c1nc(-c2ccccc2)[n-]c2cc(-c3ccc4c(c3)OCCO4)sc21 ZINC000614113751 1092946117 /nfs/dbraw/zinc/94/61/17/1092946117.db2.gz RBFVLEBZOAZSRR-UHFFFAOYSA-N -1 1 362.410 4.090 20 0 FIADMM COc1cc(-c2nc(Cc3c[nH]c4c3cccc4C)no2)cc(Cl)c1[O-] ZINC000443206588 1092990799 /nfs/dbraw/zinc/99/07/99/1092990799.db2.gz BFWSDRLCFSIDCF-UHFFFAOYSA-N -1 1 369.808 4.485 20 0 FIADMM CCOc1cc(-c2nc(-c3n[nH]c4ccccc43)no2)cc(Cl)c1[O-] ZINC000443208810 1092992878 /nfs/dbraw/zinc/99/28/78/1092992878.db2.gz PUPGVXKGTGMVJB-UHFFFAOYSA-N -1 1 356.769 4.038 20 0 FIADMM COc1cc(-c2nc(Cc3csc(C(C)C)n3)no2)cc(Cl)c1[O-] ZINC000443227694 1092997848 /nfs/dbraw/zinc/99/78/48/1092997848.db2.gz TUPZSCARLYVBQW-UHFFFAOYSA-N -1 1 365.842 4.275 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)c2)n1 ZINC000443412447 1093113960 /nfs/dbraw/zinc/11/39/60/1093113960.db2.gz JHIMICSPCLRWGT-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM CCCOc1c(Cl)cc(CN2CCC(CCC(=O)[O-])CC2)cc1OC ZINC000665342104 1093201918 /nfs/dbraw/zinc/20/19/18/1093201918.db2.gz QATOFUWRHJRSEN-UHFFFAOYSA-N -1 1 369.889 4.214 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1C ZINC000522274278 1093257171 /nfs/dbraw/zinc/25/71/71/1093257171.db2.gz CXVLNYBZZQPSAZ-UHFFFAOYSA-N -1 1 373.478 4.125 20 0 FIADMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC001211773853 1093288377 /nfs/dbraw/zinc/28/83/77/1093288377.db2.gz XJACHGUYEFIGLC-AWEZNQCLSA-N -1 1 373.852 4.336 20 0 FIADMM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001211797387 1093342376 /nfs/dbraw/zinc/34/23/76/1093342376.db2.gz XVCACMPUHNMOID-NXEZZACHSA-N -1 1 369.836 4.462 20 0 FIADMM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001211797386 1093342840 /nfs/dbraw/zinc/34/28/40/1093342840.db2.gz XVCACMPUHNMOID-IWIIMEHWSA-N -1 1 369.836 4.462 20 0 FIADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000433169354 1093366904 /nfs/dbraw/zinc/36/69/04/1093366904.db2.gz QSFVEIDPGRQRAT-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000474248992 1093623281 /nfs/dbraw/zinc/62/32/81/1093623281.db2.gz KYAZGUCNXNEGFL-UHFFFAOYSA-N -1 1 360.414 4.317 20 0 FIADMM O=S(=O)(Cc1ccc(Oc2ccccc2)c(F)c1)c1ccc([O-])cc1 ZINC000433398048 1093669119 /nfs/dbraw/zinc/66/91/19/1093669119.db2.gz KQCTXNJTQBYPMJ-UHFFFAOYSA-N -1 1 358.390 4.298 20 0 FIADMM COCCSc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000728976930 1093910657 /nfs/dbraw/zinc/91/06/57/1093910657.db2.gz IKUUVRJFSDCTGK-GFCCVEGCSA-N -1 1 365.882 4.275 20 0 FIADMM COc1ccccc1SC[C@H](C)CNC(=O)c1c([O-])cccc1Cl ZINC000728981628 1093914259 /nfs/dbraw/zinc/91/42/59/1093914259.db2.gz UDSILVWVZFQIRR-GFCCVEGCSA-N -1 1 365.882 4.212 20 0 FIADMM Cc1cc2ccccc2c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167938181 1093956092 /nfs/dbraw/zinc/95/60/92/1093956092.db2.gz GTQADSWXMQFTJC-UHFFFAOYSA-N -1 1 353.358 4.233 20 0 FIADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])s1 ZINC000896225039 1094474963 /nfs/dbraw/zinc/47/49/63/1094474963.db2.gz UTNVQDADQJASPL-LLVKDONJSA-N -1 1 356.447 4.158 20 0 FIADMM CC1(C)CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000513719317 1094851891 /nfs/dbraw/zinc/85/18/91/1094851891.db2.gz BEXUHDLWYVNXPX-OAHLLOKOSA-N -1 1 372.490 4.252 20 0 FIADMM C[C@@]1(CNC(=O)c2ccc(Br)c([O-])c2)C[C@H]1c1ccccc1 ZINC000501734717 1094901639 /nfs/dbraw/zinc/90/16/39/1094901639.db2.gz XZOFOIIMGZOGIJ-KSSFIOAISA-N -1 1 360.251 4.078 20 0 FIADMM C[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1C ZINC000501813812 1094952884 /nfs/dbraw/zinc/95/28/84/1094952884.db2.gz FGISCKAQBPDLPS-CHWSQXEVSA-N -1 1 371.481 4.269 20 0 FIADMM CC(C)CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000036703487 1095199188 /nfs/dbraw/zinc/19/91/88/1095199188.db2.gz MRIAKTCLDICZSC-INIZCTEOSA-N -1 1 374.506 4.042 20 0 FIADMM CC(C)(C)OC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccccc1 ZINC000513738668 1095243247 /nfs/dbraw/zinc/24/32/47/1095243247.db2.gz XKFQIYGTWJUIFJ-INIZCTEOSA-N -1 1 367.474 4.122 20 0 FIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1Cl ZINC000395299470 1095288450 /nfs/dbraw/zinc/28/84/50/1095288450.db2.gz JGADNMXPRFBMBS-UHFFFAOYSA-N -1 1 367.835 4.054 20 0 FIADMM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000042350758 1095953549 /nfs/dbraw/zinc/95/35/49/1095953549.db2.gz IQRFBKNQXJBIPS-JTQLQIEISA-N -1 1 354.335 4.004 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421969619 1096026787 /nfs/dbraw/zinc/02/67/87/1096026787.db2.gz RZZVTSXKGFRLLT-VIFPVBQESA-N -1 1 355.278 4.216 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](c3ccccc3)C2(C)C)cc(Cl)c1[O-] ZINC000422061558 1096061879 /nfs/dbraw/zinc/06/18/79/1096061879.db2.gz FQHTYAYFCPKZAV-OAHLLOKOSA-N -1 1 359.853 4.463 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c2cccnc12 ZINC000515618158 1098768593 /nfs/dbraw/zinc/76/85/93/1098768593.db2.gz GBHKJCBZAVWGEH-UHFFFAOYSA-N -1 1 356.447 4.168 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)n1 ZINC000436189674 1098796886 /nfs/dbraw/zinc/79/68/86/1098796886.db2.gz RHHSLTOYMDVMME-ZDUSSCGKSA-N -1 1 373.261 4.058 20 0 FIADMM O=c1cc(C2CC2)nc(SCc2coc(-c3c(F)cccc3F)n2)[n-]1 ZINC000436254825 1098869466 /nfs/dbraw/zinc/86/94/66/1098869466.db2.gz VYRSMYSATRNGCU-UHFFFAOYSA-N -1 1 361.373 4.285 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000436478596 1099041209 /nfs/dbraw/zinc/04/12/09/1099041209.db2.gz MTWKVQZVFCDRNJ-UHFFFAOYSA-N -1 1 359.781 4.385 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sc3cccc(F)c3c2C)c1 ZINC000436508377 1099069386 /nfs/dbraw/zinc/06/93/86/1099069386.db2.gz ZIPJSNXUHNVNHD-UHFFFAOYSA-N -1 1 359.378 4.093 20 0 FIADMM CC(C)c1sc(NC(=O)C(=O)c2ccc([O-])cc2)nc1-c1ccccc1 ZINC000436512249 1099073785 /nfs/dbraw/zinc/07/37/85/1099073785.db2.gz JAFHYTLDWMYGJO-UHFFFAOYSA-N -1 1 366.442 4.461 20 0 FIADMM COc1cc(-c2noc(CC(C)(C)C3CC3)n2)cc(Br)c1[O-] ZINC000436522702 1099078112 /nfs/dbraw/zinc/07/81/12/1099078112.db2.gz WVLDMTVRSGBPBI-UHFFFAOYSA-N -1 1 367.243 4.192 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCC[C@@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436522821 1099078449 /nfs/dbraw/zinc/07/84/49/1099078449.db2.gz XEWAJEQXMJIXIY-ZYHUDNBSSA-N -1 1 352.818 4.167 20 0 FIADMM CN(CCOc1ccccc1Cl)C(=O)c1ccc2ccccc2c1[O-] ZINC000436527659 1099083292 /nfs/dbraw/zinc/08/32/92/1099083292.db2.gz IUANTQKMRWLTIH-UHFFFAOYSA-N -1 1 355.821 4.350 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c([O-])c1 ZINC000436551817 1099097985 /nfs/dbraw/zinc/09/79/85/1099097985.db2.gz SLOKNGWVAUQASQ-UHFFFAOYSA-N -1 1 360.841 4.123 20 0 FIADMM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436551501 1099098042 /nfs/dbraw/zinc/09/80/42/1099098042.db2.gz ZVEQWFKFLKOCSG-GTNSWQLSSA-N -1 1 366.244 4.301 20 0 FIADMM CCCCN(CC(F)(F)F)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436538467 1099104423 /nfs/dbraw/zinc/10/44/23/1099104423.db2.gz VUPHGGYMSHEGMB-UHFFFAOYSA-N -1 1 353.768 4.249 20 0 FIADMM CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436564871 1099117267 /nfs/dbraw/zinc/11/72/67/1099117267.db2.gz PUJBEZWYQFRBHK-UHFFFAOYSA-N -1 1 353.397 4.152 20 0 FIADMM Cc1cc(C[C@@H](C)NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])n[nH]1 ZINC000436595710 1099126875 /nfs/dbraw/zinc/12/68/75/1099126875.db2.gz NKSXKWHAUJHSGV-GFCCVEGCSA-N -1 1 369.852 4.105 20 0 FIADMM Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436598987 1099128289 /nfs/dbraw/zinc/12/82/89/1099128289.db2.gz BMNOAPYGHIWVOR-FQEVSTJZSA-N -1 1 374.440 4.097 20 0 FIADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000436588867 1099135566 /nfs/dbraw/zinc/13/55/66/1099135566.db2.gz IXGYTMWGIKYOFV-QKKBWIMNSA-N -1 1 365.404 4.287 20 0 FIADMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc3ccccc3cc1[O-])C2 ZINC000436615610 1099149970 /nfs/dbraw/zinc/14/99/70/1099149970.db2.gz GPQKGLGWDGCMON-UHFFFAOYSA-N -1 1 359.425 4.242 20 0 FIADMM COc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1OC(F)F ZINC000436631156 1099160258 /nfs/dbraw/zinc/16/02/58/1099160258.db2.gz RBJGNQSEQOZMIL-UHFFFAOYSA-N -1 1 373.355 4.085 20 0 FIADMM COc1cc(-c2noc([C@H]3CC[C@@H](C)C3)n2)cc(Br)c1[O-] ZINC000445394260 1099176436 /nfs/dbraw/zinc/17/64/36/1099176436.db2.gz RVMNKWUXUGIWKG-BDAKNGLRSA-N -1 1 353.216 4.117 20 0 FIADMM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(Cl)cc1[O-] ZINC000436681209 1099216617 /nfs/dbraw/zinc/21/66/17/1099216617.db2.gz MDEIPARLPIKHTI-UHFFFAOYSA-N -1 1 372.852 4.104 20 0 FIADMM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)C(=O)c1ccc([O-])cc1 ZINC000436687980 1099220545 /nfs/dbraw/zinc/22/05/45/1099220545.db2.gz MPZAJBAXYZUXAX-UHFFFAOYSA-N -1 1 368.776 4.054 20 0 FIADMM [O-]c1ccc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)c(F)c1 ZINC000436687001 1099221721 /nfs/dbraw/zinc/22/17/21/1099221721.db2.gz GYTFYAFLSBIUNF-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CC(C)c1cc(Br)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436709030 1099226168 /nfs/dbraw/zinc/22/61/68/1099226168.db2.gz UNRYNZQDLZMDKC-UHFFFAOYSA-N -1 1 362.223 4.100 20 0 FIADMM CCOc1ccc(C2=CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000436694964 1099228565 /nfs/dbraw/zinc/22/85/65/1099228565.db2.gz BVBONSUVRBUSNN-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM COCC[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)c(Cl)c1 ZINC000436713165 1099245504 /nfs/dbraw/zinc/24/55/04/1099245504.db2.gz QCDZXWHPRRLTHA-INIZCTEOSA-N -1 1 372.223 4.346 20 0 FIADMM CC(=O)N(c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1)C1CC1 ZINC000436741438 1099261814 /nfs/dbraw/zinc/26/18/14/1099261814.db2.gz VQDUJOZYLUWIKN-UHFFFAOYSA-N -1 1 352.434 4.283 20 0 FIADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436741857 1099262063 /nfs/dbraw/zinc/26/20/63/1099262063.db2.gz DEODPULKVSDFRL-UHFFFAOYSA-N -1 1 365.429 4.225 20 0 FIADMM CN(C)C(=O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1Cl ZINC000436760043 1099272807 /nfs/dbraw/zinc/27/28/07/1099272807.db2.gz KXZMWSWCJZVLQY-UHFFFAOYSA-N -1 1 368.820 4.153 20 0 FIADMM CCn1cnnc1-c1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436758299 1099274287 /nfs/dbraw/zinc/27/42/87/1099274287.db2.gz MWWQXHYLMLRGBB-UHFFFAOYSA-N -1 1 350.422 4.046 20 0 FIADMM COc1ccccc1[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436750625 1099284644 /nfs/dbraw/zinc/28/46/44/1099284644.db2.gz HEKWLIHRYQGSCI-LBPRGKRZSA-N -1 1 365.351 4.049 20 0 FIADMM COc1ccc([C@@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C(C)C)cc1 ZINC000436750968 1099284882 /nfs/dbraw/zinc/28/48/82/1099284882.db2.gz PYTNDHOTNRDXRT-KRWDZBQOSA-N -1 1 363.841 4.190 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N(Cc1cccc(Br)c1)C1CC1 ZINC000436755168 1099290300 /nfs/dbraw/zinc/29/03/00/1099290300.db2.gz LEMRKIBTVBKJFN-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM CCN(C(=O)c1cc2ccccc2cc1[O-])c1ccc(OC)c(OC)c1 ZINC000436757087 1099291095 /nfs/dbraw/zinc/29/10/95/1099291095.db2.gz GKFMPUIKIBSZAF-UHFFFAOYSA-N -1 1 351.402 4.229 20 0 FIADMM CC/C=C(/C)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436768436 1099309595 /nfs/dbraw/zinc/30/95/95/1099309595.db2.gz IPZBRFNUPIOIKV-TWGQIWQCSA-N -1 1 353.216 4.417 20 0 FIADMM CCCc1nc(C)c(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)o1 ZINC000436782563 1099315304 /nfs/dbraw/zinc/31/53/04/1099315304.db2.gz IXJDMNRBOVVLIE-UHFFFAOYSA-N -1 1 363.801 4.410 20 0 FIADMM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436790661 1099321749 /nfs/dbraw/zinc/32/17/49/1099321749.db2.gz HKAGKYHMUHQOMR-LLVKDONJSA-N -1 1 355.331 4.253 20 0 FIADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000436791421 1099324441 /nfs/dbraw/zinc/32/44/41/1099324441.db2.gz KFKRLIOLXWJMLL-UHFFFAOYSA-N -1 1 369.339 4.095 20 0 FIADMM O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436795679 1099326930 /nfs/dbraw/zinc/32/69/30/1099326930.db2.gz ZIUHHBZNZAQUGS-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2C1 ZINC000069164689 1099331441 /nfs/dbraw/zinc/33/14/41/1099331441.db2.gz GMYXYJAIVVCKHE-MRXNPFEDSA-N -1 1 372.509 4.410 20 0 FIADMM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3[O-])c12 ZINC000436813366 1099339263 /nfs/dbraw/zinc/33/92/63/1099339263.db2.gz ONRXYSCTEFVCRD-UHFFFAOYSA-N -1 1 355.369 4.150 20 0 FIADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)c1 ZINC000436831014 1099342318 /nfs/dbraw/zinc/34/23/18/1099342318.db2.gz FCMJSHTXPDPCLH-AWEZNQCLSA-N -1 1 360.251 4.093 20 0 FIADMM COCCC[C@@H](CNC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000436819436 1099346547 /nfs/dbraw/zinc/34/65/47/1099346547.db2.gz NLMHPYYSVDWMPH-AWEZNQCLSA-N -1 1 365.832 4.125 20 0 FIADMM CC(C)COC1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000516301795 1099348039 /nfs/dbraw/zinc/34/80/39/1099348039.db2.gz ZZSRQYQGJCZESL-MRXNPFEDSA-N -1 1 360.281 4.256 20 0 FIADMM COc1ccc(OC)c([C@@H]2C[C@H]2c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436870768 1099381996 /nfs/dbraw/zinc/38/19/96/1099381996.db2.gz IJSANBCQCQDBJV-DZGCQCFKSA-N -1 1 372.808 4.384 20 0 FIADMM CCOc1cc(-c2noc(C(F)(F)C3CCOCC3)n2)cc(Cl)c1[O-] ZINC000436872865 1099385002 /nfs/dbraw/zinc/38/50/02/1099385002.db2.gz XSIMYXDGHLPSKY-UHFFFAOYSA-N -1 1 374.771 4.013 20 0 FIADMM COc1cc(-c2noc(C3CC(C)(C)C3)n2)cc(Br)c1[O-] ZINC000436876847 1099392187 /nfs/dbraw/zinc/39/21/87/1099392187.db2.gz BPPNKXJNKADMPM-UHFFFAOYSA-N -1 1 353.216 4.117 20 0 FIADMM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000436877599 1099393876 /nfs/dbraw/zinc/39/38/76/1099393876.db2.gz BEHGPAPDVFGPLU-UHFFFAOYSA-N -1 1 350.393 4.420 20 0 FIADMM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000436878201 1099394876 /nfs/dbraw/zinc/39/48/76/1099394876.db2.gz DNHHZOYFNNQDIG-INIZCTEOSA-N -1 1 355.409 4.189 20 0 FIADMM COc1cc(-c2noc(C[C@H]3C=CCCC3)n2)cc(Br)c1[O-] ZINC000436880590 1099397588 /nfs/dbraw/zinc/39/75/88/1099397588.db2.gz RWHQSDQOLNJQIP-JTQLQIEISA-N -1 1 365.227 4.112 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(COC(F)(F)F)cc3)n2)c(F)c1 ZINC000436881802 1099398649 /nfs/dbraw/zinc/39/86/49/1099398649.db2.gz YKHXHSQUHKZSAU-UHFFFAOYSA-N -1 1 354.259 4.285 20 0 FIADMM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436887190 1099402184 /nfs/dbraw/zinc/40/21/84/1099402184.db2.gz PXGZVZYUVDIGDQ-UHFFFAOYSA-N -1 1 374.421 4.490 20 0 FIADMM COc1cc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)ccn1 ZINC000436884542 1099402694 /nfs/dbraw/zinc/40/26/94/1099402694.db2.gz ATHTVRSWIJHIDV-UHFFFAOYSA-N -1 1 361.357 4.305 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](c3cccc(C)c3)C(C)C)no2)c1 ZINC000436888006 1099404636 /nfs/dbraw/zinc/40/46/36/1099404636.db2.gz SGDIZTROOSKYLJ-IBGZPJMESA-N -1 1 365.433 4.497 20 0 FIADMM COc1ccc(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)c([O-])c1 ZINC000436904641 1099415278 /nfs/dbraw/zinc/41/52/78/1099415278.db2.gz XUCMDBAHVPUYPP-UHFFFAOYSA-N -1 1 354.259 4.276 20 0 FIADMM COc1ccc(Br)cc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436912168 1099420347 /nfs/dbraw/zinc/42/03/47/1099420347.db2.gz WSFRTNZGBANKFM-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM C[C@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc(F)c1 ZINC000436920212 1099434647 /nfs/dbraw/zinc/43/46/47/1099434647.db2.gz QYEFKMULODIIFA-SNVBAGLBSA-N -1 1 374.803 4.102 20 0 FIADMM C[C@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc(F)c1 ZINC000436920212 1099434653 /nfs/dbraw/zinc/43/46/53/1099434653.db2.gz QYEFKMULODIIFA-SNVBAGLBSA-N -1 1 374.803 4.102 20 0 FIADMM CCN1C(=O)CCc2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc21 ZINC000436935055 1099447341 /nfs/dbraw/zinc/44/73/41/1099447341.db2.gz ZMLDPIZVQUUYPB-UHFFFAOYSA-N -1 1 360.413 4.097 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000032589279 1099449709 /nfs/dbraw/zinc/44/97/09/1099449709.db2.gz FECNLTJVMNJMMX-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc2ccccc2c1[O-] ZINC000436941079 1099453199 /nfs/dbraw/zinc/45/31/99/1099453199.db2.gz ONQYLCVGRRITIH-FXAWDEMLSA-N -1 1 365.404 4.335 20 0 FIADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1Oc1ccccc1 ZINC000436959523 1099475960 /nfs/dbraw/zinc/47/59/60/1099475960.db2.gz AGHGVYJLJUPAED-OAHLLOKOSA-N -1 1 361.397 4.245 20 0 FIADMM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436968754 1099489307 /nfs/dbraw/zinc/48/93/07/1099489307.db2.gz WYLQKRLGDLZGEE-JTQLQIEISA-N -1 1 364.228 4.028 20 0 FIADMM O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1c([O-])cccc1F ZINC000436988779 1099493366 /nfs/dbraw/zinc/49/33/66/1099493366.db2.gz MNTWWHNKPXPBFV-QGZVFWFLSA-N -1 1 370.811 4.294 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000029997814 1099503366 /nfs/dbraw/zinc/50/33/66/1099503366.db2.gz SMDLZRQWLKAMJJ-NVXWUHKLSA-N -1 1 372.538 4.343 20 0 FIADMM O=C1CCCN1c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000437003943 1099508582 /nfs/dbraw/zinc/50/85/82/1099508582.db2.gz UDBHHUDVCLUBAK-UHFFFAOYSA-N -1 1 371.396 4.389 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(Cc2csc(-c3ccccc3)n2)no1 ZINC000437000859 1099522284 /nfs/dbraw/zinc/52/22/84/1099522284.db2.gz OKXNRAUDPDMFTD-UHFFFAOYSA-N -1 1 353.378 4.296 20 0 FIADMM CCCOc1c(Cl)cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1OCC ZINC000263089002 1099762216 /nfs/dbraw/zinc/76/22/16/1099762216.db2.gz ADEIUTLODHYZQD-ZFWWWQNUSA-N -1 1 369.889 4.213 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc(Cl)c1[O-] ZINC000437284144 1099767803 /nfs/dbraw/zinc/76/78/03/1099767803.db2.gz JXQWEPIFEJWXPX-QMTHXVAHSA-N -1 1 367.779 4.008 20 0 FIADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000437363395 1099857186 /nfs/dbraw/zinc/85/71/86/1099857186.db2.gz FHQCXZDOFOBQAK-IINYFYTJSA-N -1 1 370.207 4.133 20 0 FIADMM O=C([N-]c1c(F)cc(F)cc1F)c1cc(Br)c(F)cc1F ZINC000428625219 1099903495 /nfs/dbraw/zinc/90/34/95/1099903495.db2.gz VJHJDWQOPGSIRY-UHFFFAOYSA-N -1 1 366.083 4.397 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccco1 ZINC000437679927 1100093723 /nfs/dbraw/zinc/09/37/23/1100093723.db2.gz KEDYRKNHKNLPRT-UHFFFAOYSA-N -1 1 373.821 4.277 20 0 FIADMM O=S(=O)([N-]c1ccsc1Cl)c1cc(F)ccc1Br ZINC000437690802 1100100697 /nfs/dbraw/zinc/10/06/97/1100100697.db2.gz ZXHGZBIKZATZDS-UHFFFAOYSA-N -1 1 370.652 4.104 20 0 FIADMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000517287146 1100258452 /nfs/dbraw/zinc/25/84/52/1100258452.db2.gz LWASPUDVFQNQCE-GOSISDBHSA-N -1 1 374.506 4.042 20 0 FIADMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000437919061 1100300572 /nfs/dbraw/zinc/30/05/72/1100300572.db2.gz CDFQVRSSFWWBLT-UHFFFAOYSA-N -1 1 363.417 4.200 20 0 FIADMM COCCOc1cccc(-c2nc3sc4c(c3c(=O)[n-]2)CC[C@@H](C)C4)c1 ZINC000517993315 1100854132 /nfs/dbraw/zinc/85/41/32/1100854132.db2.gz DTWOXWNLPHELBY-GFCCVEGCSA-N -1 1 370.474 4.214 20 0 FIADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438767923 1100905680 /nfs/dbraw/zinc/90/56/80/1100905680.db2.gz BYYGVQHCRGJYGD-AWEZNQCLSA-N -1 1 361.463 4.034 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)cc1F ZINC000438792599 1100921731 /nfs/dbraw/zinc/92/17/31/1100921731.db2.gz NDTCWBKWRYUXNL-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438812301 1100925644 /nfs/dbraw/zinc/92/56/44/1100925644.db2.gz SKOSQBKCCBFGOL-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000509545184 1100942314 /nfs/dbraw/zinc/94/23/14/1100942314.db2.gz YSVYZLAGPIGQGH-UHFFFAOYSA-N -1 1 372.273 4.292 20 0 FIADMM O=C([O-])c1ccc(-c2nc(CN3CCS[C@@H]4CCCC[C@H]43)cs2)cc1 ZINC000518386212 1101137691 /nfs/dbraw/zinc/13/76/91/1101137691.db2.gz GORFRVVOCQZSKQ-IAGOWNOFSA-N -1 1 374.531 4.368 20 0 FIADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1coc(C2CCCC2)n1 ZINC000546722162 1101349841 /nfs/dbraw/zinc/34/98/41/1101349841.db2.gz QDKABCJXLBFJBH-UHFFFAOYSA-N -1 1 372.425 4.166 20 0 FIADMM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000138458611 1101581136 /nfs/dbraw/zinc/58/11/36/1101581136.db2.gz OKGOGYQRLHPFAW-UHFFFAOYSA-N -1 1 374.245 4.055 20 0 FIADMM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000055315948 1101636591 /nfs/dbraw/zinc/63/65/91/1101636591.db2.gz ZOTZCXQWKJRTDZ-MOPGFXCFSA-N -1 1 355.478 4.052 20 0 FIADMM CCCOc1ccc(C(C)(C)NC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001625957761 1101706859 /nfs/dbraw/zinc/70/68/59/1101706859.db2.gz LKYVBCULUYRGNJ-UHFFFAOYSA-N -1 1 364.445 4.394 20 0 FIADMM COc1cc(C(=O)NCCc2cc(Cl)cc(Cl)c2)cc(Cl)c1[O-] ZINC000460206072 1101707500 /nfs/dbraw/zinc/70/75/00/1101707500.db2.gz SAIWJGJAUJIDSM-UHFFFAOYSA-N -1 1 374.651 4.334 20 0 FIADMM Cc1nc(CN2CCC[C@H](CCC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000263059584 1101727729 /nfs/dbraw/zinc/72/77/29/1101727729.db2.gz FHXLSLTWUITKFR-CQSZACIVSA-N -1 1 362.857 4.380 20 0 FIADMM CCOc1cc(C(=O)Nc2ccccc2-c2cn[nH]c2)cc(Cl)c1[O-] ZINC000439750944 1101747203 /nfs/dbraw/zinc/74/72/03/1101747203.db2.gz KHFUZVJYJQZAOR-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM COCc1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506691370 1101796229 /nfs/dbraw/zinc/79/62/29/1101796229.db2.gz YNICBQNAZRKTAY-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2nc(-c3ccccc3)oc2C)c(F)c1 ZINC000537443013 1101796402 /nfs/dbraw/zinc/79/64/02/1101796402.db2.gz NEDQOPNHFIYSMM-UHFFFAOYSA-N -1 1 356.328 4.383 20 0 FIADMM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cncc([O-])c1 ZINC000518984436 1101798587 /nfs/dbraw/zinc/79/85/87/1101798587.db2.gz VNPVWYHZJAVXAG-UHFFFAOYSA-N -1 1 354.793 4.272 20 0 FIADMM COc1cc(C(=O)N[C@H]2CCc3sc(Cl)cc32)cc(Cl)c1[O-] ZINC000426532312 1101910078 /nfs/dbraw/zinc/91/00/78/1101910078.db2.gz VTHJDVCALMNROQ-JTQLQIEISA-N -1 1 358.246 4.186 20 0 FIADMM CCc1ccc([C@@H]2CC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)cc1 ZINC000519183950 1101993072 /nfs/dbraw/zinc/99/30/72/1101993072.db2.gz ZVRWORUBHYJBIE-GOSISDBHSA-N -1 1 373.880 4.469 20 0 FIADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[nH]n1 ZINC000506807115 1102153161 /nfs/dbraw/zinc/15/31/61/1102153161.db2.gz QLASZZUKCOIJMS-UHFFFAOYSA-N -1 1 367.780 4.006 20 0 FIADMM O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000440293194 1102175517 /nfs/dbraw/zinc/17/55/17/1102175517.db2.gz IHZRXWDMYPVUIV-UHFFFAOYSA-N -1 1 365.323 4.261 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000440315829 1102190986 /nfs/dbraw/zinc/19/09/86/1102190986.db2.gz MOJHYBZTNABKIO-UHFFFAOYSA-N -1 1 365.286 4.193 20 0 FIADMM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542719 1102193577 /nfs/dbraw/zinc/19/35/77/1102193577.db2.gz URPBJDIYCLAXCD-MRVPVSSYSA-N -1 1 361.266 4.095 20 0 FIADMM Cc1cc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)c(C)c1 ZINC000519461086 1102213135 /nfs/dbraw/zinc/21/31/35/1102213135.db2.gz MVVLZTNVEBDYJU-UHFFFAOYSA-N -1 1 356.407 4.224 20 0 FIADMM Cc1nc(CNCc2cc(Cl)cc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000426655760 1102259432 /nfs/dbraw/zinc/25/94/32/1102259432.db2.gz FSIJOKPBTKNTGH-UHFFFAOYSA-N -1 1 358.747 4.050 20 0 FIADMM CCOc1cc(-c2noc(-c3nc4c(s3)CCC4)n2)cc(Cl)c1[O-] ZINC000578732213 1102407074 /nfs/dbraw/zinc/40/70/74/1102407074.db2.gz UFFUXLBLGNBAPX-UHFFFAOYSA-N -1 1 363.826 4.107 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1 ZINC000064477300 1102460432 /nfs/dbraw/zinc/46/04/32/1102460432.db2.gz HLDHIVHAVWTZSI-UHFFFAOYSA-N -1 1 363.504 4.136 20 0 FIADMM CCCc1nc(C)c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)o1 ZINC000550836629 1102502914 /nfs/dbraw/zinc/50/29/14/1102502914.db2.gz HCSSDVXYXNJVRE-UHFFFAOYSA-N -1 1 360.464 4.191 20 0 FIADMM Cc1ccc2nc(-c3nc4ccccc4cc3Br)[n-]c(=O)c2c1 ZINC000122066642 1102513349 /nfs/dbraw/zinc/51/33/49/1102513349.db2.gz JXHWYWVCQRZWNM-UHFFFAOYSA-N -1 1 366.218 4.209 20 0 FIADMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cs1 ZINC000111363621 1102529451 /nfs/dbraw/zinc/52/94/51/1102529451.db2.gz JTYSJMIZIZARKP-ZCFIWIBFSA-N -1 1 371.336 4.113 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1 ZINC000122205894 1102545638 /nfs/dbraw/zinc/54/56/38/1102545638.db2.gz IPLLFXRPAZFYQV-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM CCc1nc(CNCc2cc(Cl)cc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000426662520 1102576534 /nfs/dbraw/zinc/57/65/34/1102576534.db2.gz XEXWMHCISOTZAR-UHFFFAOYSA-N -1 1 372.774 4.304 20 0 FIADMM Cc1cc(C)c(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000043150487 1102674407 /nfs/dbraw/zinc/67/44/07/1102674407.db2.gz FMKJMUMGTUEIAD-UHFFFAOYSA-N -1 1 366.461 4.444 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1F ZINC000101850530 1102738180 /nfs/dbraw/zinc/73/81/80/1102738180.db2.gz HAFHRVSHEGKCOY-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1 ZINC000112193274 1102799403 /nfs/dbraw/zinc/79/94/03/1102799403.db2.gz CFIKGPBZWXCJIM-UHFFFAOYSA-N -1 1 372.471 4.397 20 0 FIADMM CSc1ccc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)o1 ZINC000112247160 1102847138 /nfs/dbraw/zinc/84/71/38/1102847138.db2.gz GUGIBRGHZWJYGL-UHFFFAOYSA-N -1 1 351.840 4.426 20 0 FIADMM O=C([O-])c1cccc(CNCc2ccc(Br)cc2Cl)c1 ZINC000426690104 1102934184 /nfs/dbraw/zinc/93/41/84/1102934184.db2.gz ZELYBPWIPDJIQQ-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM Cc1cccc([C@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1C ZINC000426737875 1102955811 /nfs/dbraw/zinc/95/58/11/1102955811.db2.gz RADYFSMHBCMCOQ-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000426748070 1102964751 /nfs/dbraw/zinc/96/47/51/1102964751.db2.gz UOIJLYUEOVMNCY-LIRRHRJNSA-N -1 1 352.459 4.362 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1Br)c1ccccc1 ZINC000426749719 1102967232 /nfs/dbraw/zinc/96/72/32/1102967232.db2.gz HZKKJSCLSHVRIT-BZNIZROVSA-N -1 1 366.230 4.140 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1sccc1Br)c1ccccc1 ZINC000426753131 1102967929 /nfs/dbraw/zinc/96/79/29/1102967929.db2.gz HCSDLDSGZLTXRS-HZMBPMFUSA-N -1 1 354.269 4.062 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000614844558 1102969914 /nfs/dbraw/zinc/96/99/14/1102969914.db2.gz YOBSJWCNHGYDAW-UHFFFAOYSA-N -1 1 374.506 4.425 20 0 FIADMM Cc1cc(Cl)ccc1CN[C@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000426761787 1102975266 /nfs/dbraw/zinc/97/52/66/1102975266.db2.gz DFFBOKBOBJCFTA-LJQANCHMSA-N -1 1 369.852 4.140 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(-c3ccccc3F)o2)c1 ZINC000426772698 1102978894 /nfs/dbraw/zinc/97/88/94/1102978894.db2.gz LDYDPZPDHSVBTO-IBGZPJMESA-N -1 1 369.392 4.400 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)ccc2Cl)c1 ZINC000426776215 1102980059 /nfs/dbraw/zinc/98/00/59/1102980059.db2.gz XEFGLULQBHQLHO-INIZCTEOSA-N -1 1 354.233 4.308 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)ccc2Cl)c1 ZINC000426776216 1102980274 /nfs/dbraw/zinc/98/02/74/1102980274.db2.gz XEFGLULQBHQLHO-MRXNPFEDSA-N -1 1 354.233 4.308 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(-c3ccccc3)o2)c1 ZINC000426782420 1102983713 /nfs/dbraw/zinc/98/37/13/1102983713.db2.gz GNOOJBDTVLXMFB-LJQANCHMSA-N -1 1 351.402 4.261 20 0 FIADMM CCOc1ccc(OC)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000729665614 1102988953 /nfs/dbraw/zinc/98/89/53/1102988953.db2.gz MDHCCIFTYQXKHC-ZHACJKMWSA-N -1 1 367.854 4.160 20 0 FIADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc2cccnc12 ZINC000426808419 1103005866 /nfs/dbraw/zinc/00/58/66/1103005866.db2.gz RGPONIKZVDLGLI-SFHVURJKSA-N -1 1 356.372 4.127 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(OCC2CC2)cc1)c1ccc(F)cc1F ZINC000426812074 1103006858 /nfs/dbraw/zinc/00/68/58/1103006858.db2.gz WPNQDXINNAMCKW-IBGZPJMESA-N -1 1 361.388 4.059 20 0 FIADMM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1Cl)c1cccc(F)c1 ZINC000426818081 1103013435 /nfs/dbraw/zinc/01/34/35/1103013435.db2.gz DEZGPOLETKEGRO-CQSZACIVSA-N -1 1 361.722 4.413 20 0 FIADMM O=C([O-])C[C@H](NCc1ccccc1Cl)c1cccc(Br)c1 ZINC000426827439 1103026913 /nfs/dbraw/zinc/02/69/13/1103026913.db2.gz RVVVGVMMPNQORO-HNNXBMFYSA-N -1 1 368.658 4.408 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(Cl)c2ccccc21 ZINC000507013800 1103035781 /nfs/dbraw/zinc/03/57/81/1103035781.db2.gz RFOPAROGSKTKAE-UHFFFAOYSA-N -1 1 359.834 4.324 20 0 FIADMM COc1ccc([C@@H](NCc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1F ZINC000426831655 1103043411 /nfs/dbraw/zinc/04/34/11/1103043411.db2.gz GGYJFTIJSMFWPG-OAHLLOKOSA-N -1 1 358.196 4.057 20 0 FIADMM CC(C)NC(=O)Nc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450270 1103068479 /nfs/dbraw/zinc/06/84/79/1103068479.db2.gz RSJUGBSNXVSLMO-UHFFFAOYSA-N -1 1 372.812 4.293 20 0 FIADMM O=C([O-])[C@]1(NCc2cc(Cl)ccc2Cl)CCc2c1cccc2F ZINC000551423227 1103203755 /nfs/dbraw/zinc/20/37/55/1103203755.db2.gz RCABFDRBZCNYQO-KRWDZBQOSA-N -1 1 354.208 4.148 20 0 FIADMM COc1ccc2nc(-c3ccc(OC4CCCCC4)cc3)[n-]c(=O)c2c1 ZINC000551510714 1103298974 /nfs/dbraw/zinc/29/89/74/1103298974.db2.gz JZIBWWUEJZUXBO-UHFFFAOYSA-N -1 1 350.418 4.310 20 0 FIADMM CSc1ccc([O-])c(-c2nc(-c3cc(N4CCCCC4)ccn3)no2)c1 ZINC000664919265 1103721944 /nfs/dbraw/zinc/72/19/44/1103721944.db2.gz ZKHJHBGADNPYOE-UHFFFAOYSA-N -1 1 368.462 4.216 20 0 FIADMM O=C([O-])c1ccccc1CCN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000519758778 1103852568 /nfs/dbraw/zinc/85/25/68/1103852568.db2.gz JCXXRMVATGYOHI-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM CSCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000520256855 1104199901 /nfs/dbraw/zinc/19/99/01/1104199901.db2.gz HVFCGULDLHBCLJ-UHFFFAOYSA-N -1 1 361.410 4.369 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)c(C)c1 ZINC000520280666 1104220032 /nfs/dbraw/zinc/22/00/32/1104220032.db2.gz SGKLOUNHMKDUCW-UHFFFAOYSA-N -1 1 358.507 4.485 20 0 FIADMM Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000188497748 1104657809 /nfs/dbraw/zinc/65/78/09/1104657809.db2.gz SEFNMKFGEPTAMU-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM Cc1ccc([C@H]2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)c(C)c1 ZINC000331015593 1104695224 /nfs/dbraw/zinc/69/52/24/1104695224.db2.gz LIXICLLXIRJLQM-INIZCTEOSA-N -1 1 367.493 4.035 20 0 FIADMM O=C(NCCCc1cccc(C(F)(F)F)c1)c1c(F)ccc([O-])c1F ZINC000520459177 1104754732 /nfs/dbraw/zinc/75/47/32/1104754732.db2.gz TUZSILDBGHVIEO-UHFFFAOYSA-N -1 1 359.294 4.052 20 0 FIADMM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000520624615 1105060804 /nfs/dbraw/zinc/06/08/04/1105060804.db2.gz QEEBAUOOJUGMHU-UHFFFAOYSA-N -1 1 357.884 4.261 20 0 FIADMM CCCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000417694958 1105082919 /nfs/dbraw/zinc/08/29/19/1105082919.db2.gz ARIHWTSRYJNVAR-UHFFFAOYSA-N -1 1 354.450 4.126 20 0 FIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc(F)c(Cl)c1 ZINC000032097210 1105125199 /nfs/dbraw/zinc/12/51/99/1105125199.db2.gz URWXCLZRCNFKPS-UHFFFAOYSA-N -1 1 366.801 4.299 20 0 FIADMM C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ncccc2[O-])C1 ZINC000427751548 1105267200 /nfs/dbraw/zinc/26/72/00/1105267200.db2.gz FTRICNDKXGTMMM-SMDDNHRTSA-N -1 1 350.340 4.029 20 0 FIADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507934349 1105271240 /nfs/dbraw/zinc/27/12/40/1105271240.db2.gz KEIHTAKJOKXPJW-UHFFFAOYSA-N -1 1 367.470 4.343 20 0 FIADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000428019647 1105341564 /nfs/dbraw/zinc/34/15/64/1105341564.db2.gz ZYEVWGRFVGAXPN-CABCVRRESA-N -1 1 364.367 4.214 20 0 FIADMM [O-]c1cccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1Cl ZINC000508161347 1105343621 /nfs/dbraw/zinc/34/36/21/1105343621.db2.gz LBNIFEILSJTBSW-INIZCTEOSA-N -1 1 356.224 4.412 20 0 FIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000508233634 1105370209 /nfs/dbraw/zinc/37/02/09/1105370209.db2.gz NKQVRIACNBVOBQ-UHFFFAOYSA-N -1 1 373.453 4.303 20 0 FIADMM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(F)c1[O-] ZINC000530007602 1106748217 /nfs/dbraw/zinc/74/82/17/1106748217.db2.gz XTPLTNUQMUSITB-UHFFFAOYSA-N -1 1 350.415 4.138 20 0 FIADMM O=S(=O)([N-]c1cccc(C2CCOCC2)c1)c1ccc(C(F)F)cc1 ZINC000530144906 1106861043 /nfs/dbraw/zinc/86/10/43/1106861043.db2.gz LWCGXUPQNGEOOD-UHFFFAOYSA-N -1 1 367.417 4.319 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(C)C)cc1 ZINC000530147006 1106863075 /nfs/dbraw/zinc/86/30/75/1106863075.db2.gz VSJVDYSZLPGNBC-UHFFFAOYSA-N -1 1 353.871 4.411 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)c(C)c1C ZINC000451079914 1106917783 /nfs/dbraw/zinc/91/77/83/1106917783.db2.gz BGIVUBZDRVHPJW-UHFFFAOYSA-N -1 1 355.406 4.225 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NCC(F)(F)F)c2)cc1 ZINC000451084621 1106921020 /nfs/dbraw/zinc/92/10/20/1106921020.db2.gz AOFWRSACRHYSNV-UHFFFAOYSA-N -1 1 358.385 4.024 20 0 FIADMM O=c1[nH]c(-c2cc([O-])cc(Cl)c2)nc2ccc(Br)cc12 ZINC000487473749 1106988548 /nfs/dbraw/zinc/98/85/48/1106988548.db2.gz NMTBLOSUYUPPFT-UHFFFAOYSA-N -1 1 351.587 4.124 20 0 FIADMM Cc1nc(-c2ccc(NCCOc3cccc(Cl)c3)nc2)[n-]c(=O)c1C ZINC000301389036 1107012975 /nfs/dbraw/zinc/01/29/75/1107012975.db2.gz YYRXIVWIDDSMFT-UHFFFAOYSA-N -1 1 370.840 4.005 20 0 FIADMM Cc1cccc2[nH]cc(CCNc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)c21 ZINC000301410352 1107021297 /nfs/dbraw/zinc/02/12/97/1107021297.db2.gz OSLOAKFUEHJANG-UHFFFAOYSA-N -1 1 373.460 4.305 20 0 FIADMM Cc1nc(-c2ccc(N(Cc3cccs3)C3CC3)nc2)[n-]c(=O)c1C ZINC000301499922 1107050320 /nfs/dbraw/zinc/05/03/20/1107050320.db2.gz DENYUDADNSKRRC-UHFFFAOYSA-N -1 1 352.463 4.092 20 0 FIADMM Cc1ccc([C@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000302089587 1107299181 /nfs/dbraw/zinc/29/91/81/1107299181.db2.gz ARCGUHWQVPISLN-IBGZPJMESA-N -1 1 360.461 4.163 20 0 FIADMM CC(C)c1ccsc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000053793549 1107472127 /nfs/dbraw/zinc/47/21/27/1107472127.db2.gz KBTRAXNZDAOIMN-UHFFFAOYSA-N -1 1 357.475 4.312 20 0 FIADMM COCc1cc(-c2nc(=O)c3c(-c4ccc(C)c(C)c4)csc3[n-]2)no1 ZINC000487496934 1107759227 /nfs/dbraw/zinc/75/92/27/1107759227.db2.gz APGYBPDRTVVGHA-UHFFFAOYSA-N -1 1 367.430 4.482 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)cc(Cl)c1[O-] ZINC000452665434 1107896015 /nfs/dbraw/zinc/89/60/15/1107896015.db2.gz RUNGHVPSUHXCMP-IQJOONFLSA-N -1 1 365.779 4.246 20 0 FIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2O1 ZINC000614807014 1107954857 /nfs/dbraw/zinc/95/48/57/1107954857.db2.gz IYBQPMMIHUNXQP-UHFFFAOYSA-N -1 1 374.245 4.302 20 0 FIADMM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000444753170 1108151297 /nfs/dbraw/zinc/15/12/97/1108151297.db2.gz MIMNIVFHMKGOHI-CQSZACIVSA-N -1 1 373.412 4.342 20 0 FIADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccccc3C(F)(F)F)[nH][n-]2)c1 ZINC000444817860 1108209251 /nfs/dbraw/zinc/20/92/51/1108209251.db2.gz RBGDARFUQYPREQ-UHFFFAOYSA-N -1 1 363.314 4.217 20 0 FIADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc(F)c(F)cc3Cl)[nH][n-]2)c1 ZINC000444819715 1108210517 /nfs/dbraw/zinc/21/05/17/1108210517.db2.gz ZJHRLCPJQUYTEO-UHFFFAOYSA-N -1 1 365.742 4.130 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000467493219 1108328064 /nfs/dbraw/zinc/32/80/64/1108328064.db2.gz FUIJRDVBZRXGIL-BZNIZROVSA-N -1 1 353.752 4.040 20 0 FIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2)n1 ZINC000523728419 1108476302 /nfs/dbraw/zinc/47/63/02/1108476302.db2.gz VZJHLLUQJPTYEX-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM CCOCCC1(c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)CCC1 ZINC000445411548 1108721996 /nfs/dbraw/zinc/72/19/96/1108721996.db2.gz KMLFKGPNIVRUOR-UHFFFAOYSA-N -1 1 366.845 4.343 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1 ZINC000523983634 1108723096 /nfs/dbraw/zinc/72/30/96/1108723096.db2.gz UCPSXJLBWUDFKY-UHFFFAOYSA-N -1 1 371.462 4.223 20 0 FIADMM COc1cc(-c2noc(/C=C\c3ccccc3)n2)cc(Br)c1[O-] ZINC000445396833 1108725345 /nfs/dbraw/zinc/72/53/45/1108725345.db2.gz ZJOYKGHLTDMYOT-FPLPWBNLSA-N -1 1 373.206 4.384 20 0 FIADMM COc1cc(-c2noc(/C=C\C3CCC3)n2)cc(Br)c1[O-] ZINC000445397204 1108726186 /nfs/dbraw/zinc/72/61/86/1108726186.db2.gz FBQSEXOURBEPQT-WAYWQWQTSA-N -1 1 351.200 4.027 20 0 FIADMM CCOc1cc(-c2noc(CCO[C@@H](C)CC(C)C)n2)cc(Cl)c1[O-] ZINC000445407340 1108731597 /nfs/dbraw/zinc/73/15/97/1108731597.db2.gz NICGGKSMJFXUIF-LBPRGKRZSA-N -1 1 368.861 4.488 20 0 FIADMM CCOc1cc(-c2noc(COc3cccc(C)c3)n2)cc(Cl)c1[O-] ZINC000445422249 1108735139 /nfs/dbraw/zinc/73/51/39/1108735139.db2.gz LSRRWVFXBOOGPO-UHFFFAOYSA-N -1 1 360.797 4.382 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cc2c(cc(Br)cc2F)[nH]1 ZINC000532267506 1108737479 /nfs/dbraw/zinc/73/74/79/1108737479.db2.gz SOAQNKOCNLLTGY-UHFFFAOYSA-N -1 1 367.149 4.167 20 0 FIADMM CCO[C@@H](C)c1nc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cs1 ZINC000445451356 1108754351 /nfs/dbraw/zinc/75/43/51/1108754351.db2.gz DNSPYCOXSLCPDE-VIFPVBQESA-N -1 1 365.842 4.240 20 0 FIADMM CC(=O)CCc1ccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445447100 1108775136 /nfs/dbraw/zinc/77/51/36/1108775136.db2.gz RAGUDTPWTNTIKS-UHFFFAOYSA-N -1 1 372.808 4.196 20 0 FIADMM CCOc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445452393 1108784815 /nfs/dbraw/zinc/78/48/15/1108784815.db2.gz CAVVJQKNYJGIJH-UHFFFAOYSA-N -1 1 372.808 4.310 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cccc(OCC(F)(F)F)c3)n2)c(F)c1 ZINC000445459427 1108793124 /nfs/dbraw/zinc/79/31/24/1108793124.db2.gz AUZQILDSOYGNTC-UHFFFAOYSA-N -1 1 368.286 4.113 20 0 FIADMM CCCc1nc2ccccc2n1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480752 1108799203 /nfs/dbraw/zinc/79/92/03/1108799203.db2.gz IYCZYNSQNPKJRS-UHFFFAOYSA-N -1 1 366.396 4.126 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ccccc3OC(F)(F)F)n2)cc1F ZINC000445479447 1108799475 /nfs/dbraw/zinc/79/94/75/1108799475.db2.gz VTEHBYXRZJIEBJ-UHFFFAOYSA-N -1 1 368.286 4.265 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)c4cccnc34)n2)cc1F ZINC000445481319 1108801489 /nfs/dbraw/zinc/80/14/89/1108801489.db2.gz MVSIFRFFILLYEQ-UHFFFAOYSA-N -1 1 371.755 4.362 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c(Cl)cccc1Cl ZINC000016129213 1108910818 /nfs/dbraw/zinc/91/08/18/1108910818.db2.gz BRRVWBFFNZYJIN-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM CCO[C@@H](c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1)c1ccccc1 ZINC000445800362 1108993853 /nfs/dbraw/zinc/99/38/53/1108993853.db2.gz XLQFGNZLFNAEEE-MRXNPFEDSA-N -1 1 360.797 4.230 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1O ZINC000525238831 1109315811 /nfs/dbraw/zinc/31/58/11/1109315811.db2.gz RXPIMRAXMXCEST-UHFFFAOYSA-N -1 1 351.427 4.073 20 0 FIADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000447062611 1109427904 /nfs/dbraw/zinc/42/79/04/1109427904.db2.gz BYBDQQLHQUDJMB-CYBMUJFWSA-N -1 1 351.368 4.423 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000447345350 1109519795 /nfs/dbraw/zinc/51/97/95/1109519795.db2.gz LELNWFKCDMHKGL-UHFFFAOYSA-N -1 1 359.834 4.497 20 0 FIADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447777211 1109641137 /nfs/dbraw/zinc/64/11/37/1109641137.db2.gz NBPMRTNEKHONLI-UHFFFAOYSA-N -1 1 358.316 4.127 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447786226 1109644945 /nfs/dbraw/zinc/64/49/45/1109644945.db2.gz FGXMPAHOAPQTTE-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)cc(Cl)c1[O-] ZINC000527489512 1109768298 /nfs/dbraw/zinc/76/82/98/1109768298.db2.gz CHJTYDZXPFNYNK-LBPRGKRZSA-N -1 1 363.841 4.332 20 0 FIADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000527616241 1109787277 /nfs/dbraw/zinc/78/72/77/1109787277.db2.gz YOELJXGEEFAPRL-YGRLFVJLSA-N -1 1 355.825 4.227 20 0 FIADMM COc1cccc([C@H]2CN(Cc3nc(=O)c4sccc4[n-]3)CC2(C)C)c1 ZINC000528623351 1110051301 /nfs/dbraw/zinc/05/13/01/1110051301.db2.gz JRFUWEUYVHHABC-OAHLLOKOSA-N -1 1 369.490 4.031 20 0 FIADMM CC1(C)[C@@H](c2cccc(F)c2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000528776664 1110110386 /nfs/dbraw/zinc/11/03/86/1110110386.db2.gz VNUXZLLPQBUMID-CQSZACIVSA-N -1 1 357.454 4.304 20 0 FIADMM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539310 1110287050 /nfs/dbraw/zinc/28/70/50/1110287050.db2.gz QQOGYCZLEWFHJM-LLVKDONJSA-N -1 1 371.868 4.366 20 0 FIADMM COCc1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000193443388 1110301173 /nfs/dbraw/zinc/30/11/73/1110301173.db2.gz QEUGYLDXXJJKMT-UHFFFAOYSA-N -1 1 363.479 4.074 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000538510686 1111174620 /nfs/dbraw/zinc/17/46/20/1111174620.db2.gz DBNDQXHHWNUTOG-GOEBONIOSA-N -1 1 372.490 4.171 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000538510688 1111174729 /nfs/dbraw/zinc/17/47/29/1111174729.db2.gz DBNDQXHHWNUTOG-ZBFHGGJFSA-N -1 1 372.490 4.171 20 0 FIADMM CCCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461429434 1111210469 /nfs/dbraw/zinc/21/04/69/1111210469.db2.gz VJMIWHSCBSBSAR-INIZCTEOSA-N -1 1 374.506 4.138 20 0 FIADMM Cc1c(Cl)cc(F)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1F ZINC000538876480 1111331438 /nfs/dbraw/zinc/33/14/38/1111331438.db2.gz IWYXCHNDSRGGLN-UHFFFAOYSA-N -1 1 353.678 4.053 20 0 FIADMM CCc1nnc([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)s1 ZINC000461776408 1111351583 /nfs/dbraw/zinc/35/15/83/1111351583.db2.gz OSENPOLSWILDPH-UHFFFAOYSA-N -1 1 368.340 4.027 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)o1 ZINC000539112030 1111436688 /nfs/dbraw/zinc/43/66/88/1111436688.db2.gz DIGSZXNDRPLWNQ-UHFFFAOYSA-N -1 1 371.393 4.071 20 0 FIADMM CC(C)(C)c1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)no1 ZINC000552197825 1111611619 /nfs/dbraw/zinc/61/16/19/1111611619.db2.gz VFCRNQKQLOGJCI-UHFFFAOYSA-N -1 1 373.634 4.346 20 0 FIADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478069264 1111676289 /nfs/dbraw/zinc/67/62/89/1111676289.db2.gz VPQVNZNHVXHVMJ-QUCCMNQESA-N -1 1 372.490 4.108 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000552610146 1111760138 /nfs/dbraw/zinc/76/01/38/1111760138.db2.gz GUNNHXDEWPTKSX-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc2ncsc2c1 ZINC000479069216 1111940271 /nfs/dbraw/zinc/94/02/71/1111940271.db2.gz NOPINHQTXCVCLR-UHFFFAOYSA-N -1 1 367.455 4.159 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1Cl ZINC000479139667 1111954875 /nfs/dbraw/zinc/95/48/75/1111954875.db2.gz TWXVEVFHZKAPSP-GFCCVEGCSA-N -1 1 373.849 4.071 20 0 FIADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000479150429 1111956099 /nfs/dbraw/zinc/95/60/99/1111956099.db2.gz DIIRPDASJHSDKV-UHFFFAOYSA-N -1 1 359.426 4.079 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc2ncsc2c1 ZINC000479491088 1112044994 /nfs/dbraw/zinc/04/49/94/1112044994.db2.gz URTWJUYZTNCFJB-UHFFFAOYSA-N -1 1 373.484 4.221 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479517845 1112057098 /nfs/dbraw/zinc/05/70/98/1112057098.db2.gz PHSIOGQWKAPVDX-UHFFFAOYSA-N -1 1 364.517 4.003 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc2ncsc2c1 ZINC000479521109 1112059043 /nfs/dbraw/zinc/05/90/43/1112059043.db2.gz ZRGJHVKRTZEAJH-UHFFFAOYSA-N -1 1 358.366 4.116 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1F ZINC000479559386 1112072007 /nfs/dbraw/zinc/07/20/07/1112072007.db2.gz QUJZVIAWEWBVHZ-UHFFFAOYSA-N -1 1 351.443 4.241 20 0 FIADMM O=C(CSC[C@H]1CCCCO1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600135526 1112904742 /nfs/dbraw/zinc/90/47/42/1112904742.db2.gz IRTVGLOANDPSEZ-GFCCVEGCSA-N -1 1 365.882 4.440 20 0 FIADMM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000481584314 1112989970 /nfs/dbraw/zinc/98/99/70/1112989970.db2.gz KDHGKGNGCJFYEU-AWEZNQCLSA-N -1 1 372.428 4.148 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000481687767 1113035118 /nfs/dbraw/zinc/03/51/18/1113035118.db2.gz OLTYIOZHVOVRBV-NNUKFRKNSA-N -1 1 363.816 4.259 20 0 FIADMM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000162028630 1113091064 /nfs/dbraw/zinc/09/10/64/1113091064.db2.gz UJWPTHHKWXDSOM-SFHVURJKSA-N -1 1 351.402 4.262 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(Oc2ccccc2)o1 ZINC000482121334 1113181295 /nfs/dbraw/zinc/18/12/95/1113181295.db2.gz NHXLEANFOBWEGW-UHFFFAOYSA-N -1 1 353.359 4.436 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1ccccc1Br ZINC000559159869 1113207544 /nfs/dbraw/zinc/20/75/44/1113207544.db2.gz HWKBVTJXKZOAAS-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM COc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1C ZINC000482555526 1113294541 /nfs/dbraw/zinc/29/45/41/1113294541.db2.gz PKQYLXZZFOSOEH-UHFFFAOYSA-N -1 1 350.212 4.032 20 0 FIADMM CCOc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482575329 1113301533 /nfs/dbraw/zinc/30/15/33/1113301533.db2.gz LBEGROBNNPCBJB-UHFFFAOYSA-N -1 1 350.212 4.114 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000482582933 1113302766 /nfs/dbraw/zinc/30/27/66/1113302766.db2.gz WMVKMTIGSHDJCM-UHFFFAOYSA-N -1 1 364.214 4.273 20 0 FIADMM CCc1nc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000482680094 1113329192 /nfs/dbraw/zinc/32/91/92/1113329192.db2.gz YNKXGHPFTMVRIV-UHFFFAOYSA-N -1 1 355.257 4.043 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3ncsc3c2)c1 ZINC000482693945 1113332358 /nfs/dbraw/zinc/33/23/58/1113332358.db2.gz NOKPEZLGUYNDHO-UHFFFAOYSA-N -1 1 363.236 4.325 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCO[C@H](C)CC(C)C)c1 ZINC000482726706 1113340971 /nfs/dbraw/zinc/34/09/71/1113340971.db2.gz YYQJDBNLIXOBTQ-GFCCVEGCSA-N -1 1 358.276 4.243 20 0 FIADMM CN(CCCOc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1F ZINC000568060102 1113346500 /nfs/dbraw/zinc/34/65/00/1113346500.db2.gz QUBRNMPCFKWKLP-UHFFFAOYSA-N -1 1 351.805 4.078 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1CCc1ccccc1 ZINC000483246251 1113471276 /nfs/dbraw/zinc/47/12/76/1113471276.db2.gz NBSXDMPVYAHCSI-INIZCTEOSA-N -1 1 374.278 4.392 20 0 FIADMM Cc1nc(-c2ccc(N3CCc4sccc4[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000486415093 1113565921 /nfs/dbraw/zinc/56/59/21/1113565921.db2.gz GVHGVVISNNCQLX-ZDUSSCGKSA-N -1 1 352.463 4.046 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000486699384 1113625900 /nfs/dbraw/zinc/62/59/00/1113625900.db2.gz NJFKHDFOQPLJMW-LLVKDONJSA-N -1 1 363.813 4.251 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000908708548 1113687474 /nfs/dbraw/zinc/68/74/74/1113687474.db2.gz YDYSBIHREQIQGH-HTQZYQBOSA-N -1 1 352.150 4.072 20 0 FIADMM CC(C)(CC(=O)Nc1cccc([O-])c1Br)CC(F)(F)F ZINC000908717212 1113688986 /nfs/dbraw/zinc/68/89/86/1113688986.db2.gz HABAAZPKEMTXSF-UHFFFAOYSA-N -1 1 354.166 4.462 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C ZINC000488305149 1113908117 /nfs/dbraw/zinc/90/81/17/1113908117.db2.gz DTNQNBLIQOCHSO-UHFFFAOYSA-N -1 1 373.396 4.299 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)c1 ZINC000668850923 1113925998 /nfs/dbraw/zinc/92/59/98/1113925998.db2.gz NJKUPKIGNFUSIH-UHFFFAOYSA-N -1 1 372.490 4.123 20 0 FIADMM O=C([N-]c1cc(F)cc(Br)c1F)c1c(F)ccc(F)c1F ZINC000489396744 1114101461 /nfs/dbraw/zinc/10/14/61/1114101461.db2.gz QYXONRHTODNNNY-UHFFFAOYSA-N -1 1 366.083 4.397 20 0 FIADMM O=C(NCc1ccc2ccccc2c1)c1ccc(Br)c([O-])c1 ZINC000491060915 1114368991 /nfs/dbraw/zinc/36/89/91/1114368991.db2.gz LMUBDSNIOWTSHF-UHFFFAOYSA-N -1 1 356.219 4.238 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000055158120 1114420873 /nfs/dbraw/zinc/42/08/73/1114420873.db2.gz PXUVPXHPTYHELZ-UHFFFAOYSA-N -1 1 361.401 4.347 20 0 FIADMM Cc1nc(NC(=O)CCC(C)(C)C)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000156530288 1114456148 /nfs/dbraw/zinc/45/61/48/1114456148.db2.gz MQIUTHPYWJFWNS-UHFFFAOYSA-N -1 1 365.528 4.472 20 0 FIADMM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000032069883 1114613447 /nfs/dbraw/zinc/61/34/47/1114613447.db2.gz FZDVIYSCMLDSQU-AGKWGAAGSA-N -1 1 373.840 4.210 20 0 FIADMM Cc1nc(-c2ccccc2)c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)s1 ZINC000589689803 1114828182 /nfs/dbraw/zinc/82/81/82/1114828182.db2.gz DWHUAQYQPHEEJB-UHFFFAOYSA-N -1 1 366.471 4.244 20 0 FIADMM Cc1nc(-c2ccccc2)ccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000589689772 1114828231 /nfs/dbraw/zinc/82/82/31/1114828231.db2.gz CEYVATSUDNMMGZ-UHFFFAOYSA-N -1 1 360.442 4.183 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)c1 ZINC000589938687 1114870349 /nfs/dbraw/zinc/87/03/49/1114870349.db2.gz BNKIOEDTOFKGNT-UHFFFAOYSA-N -1 1 373.396 4.354 20 0 FIADMM COc1cc(CN(C)C(=O)c2c([O-])cccc2Cl)ccc1SC ZINC000057558921 1114950836 /nfs/dbraw/zinc/95/08/36/1114950836.db2.gz MGOSDKBACLFFAH-UHFFFAOYSA-N -1 1 351.855 4.048 20 0 FIADMM CC[C@@H](CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000591134221 1115023915 /nfs/dbraw/zinc/02/39/15/1115023915.db2.gz BNNNEZFKTFPIIR-INIZCTEOSA-N -1 1 374.506 4.498 20 0 FIADMM CN(Cc1ccc(Cl)s1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058205081 1115138910 /nfs/dbraw/zinc/13/89/10/1115138910.db2.gz LGZFFOMEYLMOBW-UHFFFAOYSA-N -1 1 370.956 4.397 20 0 FIADMM CC(C)CN(Cn1c(Cc2cccs2)n[n-]c1=S)CC(F)(F)F ZINC000058205788 1115139875 /nfs/dbraw/zinc/13/98/75/1115139875.db2.gz NEGUXJSMOGBDPE-UHFFFAOYSA-N -1 1 364.462 4.071 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cc4ccc(F)cc4nc3C)[nH][n-]2)s1 ZINC000591828007 1115151038 /nfs/dbraw/zinc/15/10/38/1115151038.db2.gz KONRLJWXEUMJCQ-UHFFFAOYSA-N -1 1 366.421 4.117 20 0 FIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)ccc2O1 ZINC000592002985 1115191681 /nfs/dbraw/zinc/19/16/81/1115191681.db2.gz DCILQFZIKJAYAZ-CQSZACIVSA-N -1 1 373.474 4.132 20 0 FIADMM O=C([O-])C[C@@H]1CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000325902089 1115276710 /nfs/dbraw/zinc/27/67/10/1115276710.db2.gz XBTFEVGKVZNDQM-LBPRGKRZSA-N -1 1 355.278 4.163 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](NCc2c(Cl)cccc2OC(F)F)c2ccccc21 ZINC000669478943 1115308366 /nfs/dbraw/zinc/30/83/66/1115308366.db2.gz ZWANDRWGKFGFFU-DOMZBBRYSA-N -1 1 367.779 4.344 20 0 FIADMM O=S(=O)([N-]CCOC1CCCCCC1)c1cc(Cl)sc1Cl ZINC000605320244 1115889220 /nfs/dbraw/zinc/88/92/20/1115889220.db2.gz PTENXZFSPSESSM-UHFFFAOYSA-N -1 1 372.339 4.073 20 0 FIADMM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1c([O-])cccc1F ZINC000605439429 1115895412 /nfs/dbraw/zinc/89/54/12/1115895412.db2.gz WNHFHMWIRAVKPH-UHFFFAOYSA-N -1 1 360.772 4.411 20 0 FIADMM CCN(CC)c1nc2sc(C(=O)Nc3c([O-])cccc3F)cc2s1 ZINC000605439114 1115895415 /nfs/dbraw/zinc/89/54/15/1115895415.db2.gz FILJDRCEWPSCOK-UHFFFAOYSA-N -1 1 365.455 4.301 20 0 FIADMM O=C(Nc1cccc(C(=O)Nc2c([O-])cccc2F)c1)c1cccs1 ZINC000605439408 1115895469 /nfs/dbraw/zinc/89/54/69/1115895469.db2.gz HXYPBAUYRIUPJP-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccccc1Cl ZINC000062294159 1115910528 /nfs/dbraw/zinc/91/05/28/1115910528.db2.gz WWOGOTQUWAGOKI-LBPRGKRZSA-N -1 1 367.854 4.020 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(C(C)(C)C)CC2)cc1 ZINC000172301158 1115927216 /nfs/dbraw/zinc/92/72/16/1115927216.db2.gz ZHRPQAZAIWAAPZ-UHFFFAOYSA-N -1 1 372.538 4.201 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000606230503 1115931003 /nfs/dbraw/zinc/93/10/03/1115931003.db2.gz HYVNVYJMTSUGBY-KRWDZBQOSA-N -1 1 363.417 4.173 20 0 FIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc3nccn3c2)c1Cl ZINC000606752266 1115967528 /nfs/dbraw/zinc/96/75/28/1115967528.db2.gz LMWJNKLNSKDUPV-UHFFFAOYSA-N -1 1 370.261 4.059 20 0 FIADMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606903455 1115981532 /nfs/dbraw/zinc/98/15/32/1115981532.db2.gz SWDXOVWURWBHHN-BXKDBHETSA-N -1 1 355.809 4.216 20 0 FIADMM Cc1nc(NC(=O)C2CCCCCCC2)sc1-c1n[n-]c(=S)n1C ZINC000172861705 1115994699 /nfs/dbraw/zinc/99/46/99/1115994699.db2.gz ZKVCISOVIHQRPE-UHFFFAOYSA-N -1 1 365.528 4.209 20 0 FIADMM C[C@H]1C[C@H](c2cccc(F)c2)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000172965462 1116011808 /nfs/dbraw/zinc/01/18/08/1116011808.db2.gz IUKDFZDMCLWRJC-SUMWQHHRSA-N -1 1 369.469 4.182 20 0 FIADMM CCC[C@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000173656358 1116078163 /nfs/dbraw/zinc/07/81/63/1116078163.db2.gz KONLYDFWVLHIQS-HXUWFJFHSA-N -1 1 372.538 4.345 20 0 FIADMM C[C@H](Oc1ccc(C(=O)Nc2c([O-])cccc2F)cn1)c1ccccc1 ZINC000608366150 1116102453 /nfs/dbraw/zinc/10/24/53/1116102453.db2.gz FIIYKEUIUBLAEE-ZDUSSCGKSA-N -1 1 352.365 4.319 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C)nc2C2CC2)c1 ZINC000455992201 1116147228 /nfs/dbraw/zinc/14/72/28/1116147228.db2.gz JPFDQELDTUTZKD-UHFFFAOYSA-N -1 1 361.239 4.296 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc(Cl)c1[O-] ZINC000456085083 1116155782 /nfs/dbraw/zinc/15/57/82/1116155782.db2.gz HKNWKRJSBAHQCV-GXSJLCMTSA-N -1 1 365.779 4.247 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CCC(C)C)cn1 ZINC000456773789 1116216794 /nfs/dbraw/zinc/21/67/94/1116216794.db2.gz BEQVDVZCKDIBCI-UHFFFAOYSA-N -1 1 356.470 4.024 20 0 FIADMM COc1cccc(Cn2ccc3ccc(NC(=O)c4cncc([O-])c4)cc32)c1 ZINC000535023436 1116262476 /nfs/dbraw/zinc/26/24/76/1116262476.db2.gz VELOTNDGMQAPSM-UHFFFAOYSA-N -1 1 373.412 4.051 20 0 FIADMM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000535167536 1116276317 /nfs/dbraw/zinc/27/63/17/1116276317.db2.gz NZNXGFPUGTYYQG-LBPRGKRZSA-N -1 1 355.825 4.253 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(Cc3ccccc3)s2)c(F)c1 ZINC000539650914 1116358588 /nfs/dbraw/zinc/35/85/88/1116358588.db2.gz LREXGZTUTVHMKC-UHFFFAOYSA-N -1 1 372.396 4.467 20 0 FIADMM Cc1oc([C@H](C)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000519541167 1116362915 /nfs/dbraw/zinc/36/29/15/1116362915.db2.gz FQZGFSSXYSEQRI-WFASDCNBSA-N -1 1 359.397 4.081 20 0 FIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)ccc12 ZINC000539856106 1116391532 /nfs/dbraw/zinc/39/15/32/1116391532.db2.gz PYOQDVMIMZABHW-UHFFFAOYSA-N -1 1 370.261 4.287 20 0 FIADMM Cc1nc(-c2ccc(N3C[C@@H](c4ccccc4)C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000462848165 1117818269 /nfs/dbraw/zinc/81/82/69/1117818269.db2.gz NDUJEMWCOPIAPA-LIRRHRJNSA-N -1 1 360.461 4.243 20 0 FIADMM CC(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000462901967 1117849199 /nfs/dbraw/zinc/84/91/99/1117849199.db2.gz IRWWAYATCJFFQP-OAHLLOKOSA-N -1 1 360.479 4.108 20 0 FIADMM CC(C)C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000462913038 1117856601 /nfs/dbraw/zinc/85/66/01/1117856601.db2.gz YKZCKEDNLBSZCN-OAHLLOKOSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1ccc(SCc2n[n-]c(=NC(C)(C)C)n2C[C@@H]2CCCCO2)cc1 ZINC000463113551 1117969872 /nfs/dbraw/zinc/96/98/72/1117969872.db2.gz ZCKFCYMFQDCVPT-INIZCTEOSA-N -1 1 374.554 4.080 20 0 FIADMM O=C(NCc1ccccc1Oc1ccccc1)c1c(F)ccc([O-])c1F ZINC000540550070 1118122155 /nfs/dbraw/zinc/12/21/55/1118122155.db2.gz YSHDREOBOSSIST-UHFFFAOYSA-N -1 1 355.340 4.393 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000540714179 1118210769 /nfs/dbraw/zinc/21/07/69/1118210769.db2.gz CBWGHBCGHKQWLX-CQSZACIVSA-N -1 1 359.495 4.350 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000542094817 1118790066 /nfs/dbraw/zinc/79/00/66/1118790066.db2.gz VDHOXWBSBNOWRX-UHFFFAOYSA-N -1 1 363.866 4.222 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000303172424 1118849961 /nfs/dbraw/zinc/84/99/61/1118849961.db2.gz IZNGTQDWBGTSPV-UHFFFAOYSA-N -1 1 363.332 4.044 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000303432242 1118937363 /nfs/dbraw/zinc/93/73/63/1118937363.db2.gz FAKXJSDDJWFKHZ-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000003581200 1119383245 /nfs/dbraw/zinc/38/32/45/1119383245.db2.gz MPIZHCVBNLEEES-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000031382328 1119473033 /nfs/dbraw/zinc/47/30/33/1119473033.db2.gz DIKOWBKHKDMJIU-WBVHZDCISA-N -1 1 372.538 4.343 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000182880557 1119561493 /nfs/dbraw/zinc/56/14/93/1119561493.db2.gz CXFDDHBGDKDRKR-UHFFFAOYSA-N -1 1 367.779 4.011 20 0 FIADMM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541698 1119576870 /nfs/dbraw/zinc/57/68/70/1119576870.db2.gz KRIIYVJDBJIUKP-ZBFHGGJFSA-N -1 1 374.506 4.417 20 0 FIADMM Cc1c(=O)[n-]c(SCC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000185053511 1119638223 /nfs/dbraw/zinc/63/82/23/1119638223.db2.gz OWOVTLAAIIHOFM-UHFFFAOYSA-N -1 1 370.861 4.374 20 0 FIADMM Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C(=O)N1CCCC1 ZINC000190934354 1119954465 /nfs/dbraw/zinc/95/44/65/1119954465.db2.gz YPPPKTBEARASEJ-UHFFFAOYSA-N -1 1 373.840 4.234 20 0 FIADMM Cc1cnn(-c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2F)c1 ZINC000190964718 1119956342 /nfs/dbraw/zinc/95/63/42/1119956342.db2.gz HQSXJSPWXXRCEA-UHFFFAOYSA-N -1 1 360.776 4.323 20 0 FIADMM CCc1nnc(-c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2)o1 ZINC000192231497 1120044253 /nfs/dbraw/zinc/04/42/53/1120044253.db2.gz DLUBVVSRBDJMKX-UHFFFAOYSA-N -1 1 358.785 4.302 20 0 FIADMM Cc1c(NC(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccccc1F ZINC000192237945 1120045092 /nfs/dbraw/zinc/04/50/92/1120045092.db2.gz NEEUNGXOBHQWCL-UHFFFAOYSA-N -1 1 360.776 4.323 20 0 FIADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1OC(C)C ZINC000192266825 1120047963 /nfs/dbraw/zinc/04/79/63/1120047963.db2.gz RJXTWRJRYXKFHH-UHFFFAOYSA-N -1 1 350.802 4.485 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2)cc(Cl)c1[O-] ZINC000192737135 1120079076 /nfs/dbraw/zinc/07/90/76/1120079076.db2.gz POSPELUWLDOEQO-UHFFFAOYSA-N -1 1 357.740 4.298 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(Br)cc1 ZINC000195451960 1120161867 /nfs/dbraw/zinc/16/18/67/1120161867.db2.gz UESXSRYXBOVMTE-UHFFFAOYSA-N -1 1 362.195 4.188 20 0 FIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc21 ZINC000195730728 1120223975 /nfs/dbraw/zinc/22/39/75/1120223975.db2.gz PDBFAQDZYCQCJB-UHFFFAOYSA-N -1 1 370.261 4.164 20 0 FIADMM Cc1nc(C2(NC(=O)c3cc4ccccc4cc3[O-])CCCCCC2)no1 ZINC000642298524 1120305152 /nfs/dbraw/zinc/30/51/52/1120305152.db2.gz WQUPDQDWOQNSDV-UHFFFAOYSA-N -1 1 365.433 4.216 20 0 FIADMM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000761840771 1120534231 /nfs/dbraw/zinc/53/42/31/1120534231.db2.gz ODZGFHJAOGPWQJ-KTKRTIGZSA-N -1 1 351.859 4.133 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000523287307 1120551543 /nfs/dbraw/zinc/55/15/43/1120551543.db2.gz XHPASLNCRJOUDS-UHFFFAOYSA-N -1 1 360.262 4.331 20 0 FIADMM O=C([O-])c1ccc(CCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000238031853 1120987787 /nfs/dbraw/zinc/98/77/87/1120987787.db2.gz PVPRXFKPJXKXAI-UHFFFAOYSA-N -1 1 363.417 4.100 20 0 FIADMM Cc1ccccc1-c1nn(-c2ccccc2)cc1C=C1SC(=O)[N-]C1=O ZINC000915839909 1121124641 /nfs/dbraw/zinc/12/46/41/1121124641.db2.gz GKGLCHHNVFAKTR-BOPFTXTBSA-N -1 1 361.426 4.172 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2)o1 ZINC000046071098 1121266420 /nfs/dbraw/zinc/26/64/20/1121266420.db2.gz LMWYJPJBTSMDAO-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C([N-]c1nncs1)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000057681941 1121377981 /nfs/dbraw/zinc/37/79/81/1121377981.db2.gz MJSIAAFHPPXGGA-UHFFFAOYSA-N -1 1 351.387 4.116 20 0 FIADMM CCN(c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1)C(C)C ZINC000916108646 1121410232 /nfs/dbraw/zinc/41/02/32/1121410232.db2.gz GRVINVDEFSIOEQ-UHFFFAOYSA-N -1 1 354.422 4.000 20 0 FIADMM CCN(c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1)C(C)C ZINC000916108718 1121410756 /nfs/dbraw/zinc/41/07/56/1121410756.db2.gz TYSIBOCHLVUZRD-UHFFFAOYSA-N -1 1 352.887 4.376 20 0 FIADMM O=C(CC1CCCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401485 1121471300 /nfs/dbraw/zinc/47/13/00/1121471300.db2.gz NIAPNTCWEGMYRS-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000063147073 1121552040 /nfs/dbraw/zinc/55/20/40/1121552040.db2.gz LKHVLNKGZDCQFZ-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000063455261 1121564356 /nfs/dbraw/zinc/56/43/56/1121564356.db2.gz ZHXIOVHBZGURGC-UHFFFAOYSA-N -1 1 360.479 4.214 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1Br ZINC000037377133 1121573181 /nfs/dbraw/zinc/57/31/81/1121573181.db2.gz PREHOMILZOLUFI-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)c(C(F)(F)F)c1 ZINC000064375127 1121609120 /nfs/dbraw/zinc/60/91/20/1121609120.db2.gz DEXHDJSAWLFTPU-UHFFFAOYSA-N -1 1 373.396 4.467 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)sc1Br ZINC000123633977 1121620918 /nfs/dbraw/zinc/62/09/18/1121620918.db2.gz IKWYYXLDRYNLOI-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000124791824 1121720539 /nfs/dbraw/zinc/72/05/39/1121720539.db2.gz JPQPFFDVQFFLEY-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)sc2c1)c1ccc2c(c1)COC2 ZINC000068076472 1121808259 /nfs/dbraw/zinc/80/82/59/1121808259.db2.gz JORSWWJBCAHCHZ-UHFFFAOYSA-N -1 1 372.471 4.005 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000068435316 1121826852 /nfs/dbraw/zinc/82/68/52/1121826852.db2.gz AWFRLECCDZWTBZ-UHFFFAOYSA-N -1 1 372.538 4.205 20 0 FIADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)CC3(C(=O)[O-])CCCCC3)c2C1 ZINC000069164696 1121863553 /nfs/dbraw/zinc/86/35/53/1121863553.db2.gz MZAABCDZMPTHKK-MRXNPFEDSA-N -1 1 372.509 4.410 20 0 FIADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)CC3(C(=O)[O-])CCCCC3)c2C1 ZINC000069164699 1121863846 /nfs/dbraw/zinc/86/38/46/1121863846.db2.gz MZAABCDZMPTHKK-INIZCTEOSA-N -1 1 372.509 4.410 20 0 FIADMM O=C(CCOc1ccccc1Br)Nc1ccc([O-])c(Cl)c1 ZINC000111666999 1121961403 /nfs/dbraw/zinc/96/14/03/1121961403.db2.gz CIBAXTWKRXRQND-UHFFFAOYSA-N -1 1 370.630 4.216 20 0 FIADMM O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111667997 1121961485 /nfs/dbraw/zinc/96/14/85/1121961485.db2.gz OWRAIPIEXQKQOC-UHFFFAOYSA-N -1 1 370.792 4.250 20 0 FIADMM O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000111668714 1121961496 /nfs/dbraw/zinc/96/14/96/1121961496.db2.gz VLBDMYOLYZDFIG-UHFFFAOYSA-N -1 1 358.850 4.274 20 0 FIADMM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1F ZINC000126519375 1121961800 /nfs/dbraw/zinc/96/18/00/1121961800.db2.gz ZHDMREMGOKYRMX-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000067177595 1122139837 /nfs/dbraw/zinc/13/98/37/1122139837.db2.gz BFXCFNWVXNHBFV-FQEVSTJZSA-N -1 1 369.367 4.037 20 0 FIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(O)c(F)c4)nc(=O)c3s2)cc1 ZINC000128654242 1122366846 /nfs/dbraw/zinc/36/68/46/1122366846.db2.gz QVYBEKKVDBRHPR-UHFFFAOYSA-N -1 1 368.389 4.172 20 0 FIADMM CC(C)c1ccc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)C)cc1 ZINC000497736119 1122379982 /nfs/dbraw/zinc/37/99/82/1122379982.db2.gz MNBMYGDOSCCFNK-IBGZPJMESA-N -1 1 363.461 4.174 20 0 FIADMM Cc1ccc(N2CCCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000917825204 1122459035 /nfs/dbraw/zinc/45/90/35/1122459035.db2.gz WWIURBNDQKDHFS-UHFFFAOYSA-N -1 1 360.457 4.206 20 0 FIADMM Cc1cc(Br)oc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000497973849 1122493994 /nfs/dbraw/zinc/49/39/94/1122493994.db2.gz FFMTVAAINHIPLA-UHFFFAOYSA-N -1 1 370.253 4.183 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c(F)cc1F ZINC000498017388 1122527169 /nfs/dbraw/zinc/52/71/69/1122527169.db2.gz YXTUCKLXMROMSO-UHFFFAOYSA-N -1 1 358.385 4.033 20 0 FIADMM CSc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(Cl)cc1Cl ZINC000130701092 1122909062 /nfs/dbraw/zinc/90/90/62/1122909062.db2.gz JHQAIAWNUZZXOW-UHFFFAOYSA-N -1 1 371.171 4.105 20 0 FIADMM O=S(=O)([N-]c1cccc(O)c1F)c1csc2ccc(Cl)cc21 ZINC000131516870 1123100628 /nfs/dbraw/zinc/10/06/28/1123100628.db2.gz CHNANIQWMUMBOS-UHFFFAOYSA-N -1 1 357.815 4.200 20 0 FIADMM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000919768519 1123129619 /nfs/dbraw/zinc/12/96/19/1123129619.db2.gz VGXSIVGJCCQQGZ-UHFFFAOYSA-N -1 1 364.401 4.390 20 0 FIADMM CSc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)ccn1 ZINC000556851157 1123134876 /nfs/dbraw/zinc/13/48/76/1123134876.db2.gz OCHPDONXMXXLLU-UHFFFAOYSA-N -1 1 373.659 4.177 20 0 FIADMM Cc1ccc(C2=CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1 ZINC000763445437 1123288831 /nfs/dbraw/zinc/28/88/31/1123288831.db2.gz HHGQJFWJWFOJOV-UHFFFAOYSA-N -1 1 372.262 4.393 20 0 FIADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920446470 1123458778 /nfs/dbraw/zinc/45/87/78/1123458778.db2.gz VGFRSZCGDDWYHM-UHFFFAOYSA-N -1 1 359.731 4.216 20 0 FIADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2nc3ccccc3c(=O)[n-]2)o1 ZINC000075544081 1123497846 /nfs/dbraw/zinc/49/78/46/1123497846.db2.gz AYLWNOUROYIUCQ-DYVFJYSZSA-N -1 1 365.433 4.104 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000174940870 1123673044 /nfs/dbraw/zinc/67/30/44/1123673044.db2.gz NEISFFOCKNEGCN-OAHLLOKOSA-N -1 1 358.511 4.001 20 0 FIADMM CCCC[C@H](CCC)NC(=O)Cn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000175000227 1123703527 /nfs/dbraw/zinc/70/35/27/1123703527.db2.gz FTOVKZOESNOYAJ-INIZCTEOSA-N -1 1 360.527 4.391 20 0 FIADMM COc1ccc2ccccc2c1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135643455 1123782758 /nfs/dbraw/zinc/78/27/58/1123782758.db2.gz PUTXPDPGANCPSR-UHFFFAOYSA-N -1 1 371.820 4.146 20 0 FIADMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000609768115 1123826130 /nfs/dbraw/zinc/82/61/30/1123826130.db2.gz SBTAUASOAZNSJF-JGVFFNPUSA-N -1 1 360.353 4.007 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1C ZINC000615921343 1124164405 /nfs/dbraw/zinc/16/44/05/1124164405.db2.gz JIIZSTOFBFIEKQ-UHFFFAOYSA-N -1 1 374.506 4.103 20 0 FIADMM O=C(Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1)c1cccs1 ZINC000081934964 1124207858 /nfs/dbraw/zinc/20/78/58/1124207858.db2.gz IGPPSXGFOPRHDL-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM Cc1oc(C)c(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1C ZINC000068447282 1124242576 /nfs/dbraw/zinc/24/25/76/1124242576.db2.gz FYIUPCZCWKEWAD-UHFFFAOYSA-N -1 1 362.499 4.060 20 0 FIADMM O=C(C=Cc1ccc2[nH]ccc2c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000765859759 1124292378 /nfs/dbraw/zinc/29/23/78/1124292378.db2.gz NWZOOOOFZLXQLO-WAPJZHGLSA-N -1 1 374.440 4.008 20 0 FIADMM O=C(CCCc1nc2ccccc2s1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365441 1124523318 /nfs/dbraw/zinc/52/33/18/1124523318.db2.gz PEOBZCGABWPEJA-UHFFFAOYSA-N -1 1 368.487 4.131 20 0 FIADMM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000303969308 1124523852 /nfs/dbraw/zinc/52/38/52/1124523852.db2.gz ZLWBRPVYKSACJX-HZPDHXFCSA-N -1 1 372.490 4.252 20 0 FIADMM O=C(Nc1cccc2cc(Br)cnc21)c1ccc([O-])c(F)c1 ZINC000672113072 1124642643 /nfs/dbraw/zinc/64/26/43/1124642643.db2.gz FNAVWNCCCFTFLV-UHFFFAOYSA-N -1 1 361.170 4.094 20 0 FIADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1ncoc1-c1ccccc1 ZINC000112015007 1124954732 /nfs/dbraw/zinc/95/47/32/1124954732.db2.gz HVDHHRAIXHHIFT-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000091053052 1125035431 /nfs/dbraw/zinc/03/54/31/1125035431.db2.gz AEWASZYFBYZOAC-UHFFFAOYSA-N -1 1 360.479 4.268 20 0 FIADMM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H](C)C1 ZINC001212450014 1125062593 /nfs/dbraw/zinc/06/25/93/1125062593.db2.gz GZXWEIZCGXZYPM-UWVGGRQHSA-N -1 1 368.301 4.483 20 0 FIADMM O=C(Nc1ccc(OC(=O)c2ccc([O-])cc2F)cc1)c1ccccc1 ZINC000181846760 1125157262 /nfs/dbraw/zinc/15/72/62/1125157262.db2.gz BNISVIIWONMYNU-UHFFFAOYSA-N -1 1 351.333 4.003 20 0 FIADMM O=S(=O)([N-][C@@H]1CCCC12CCCCC2)c1cnc(Cl)cc1Cl ZINC001212487808 1125456084 /nfs/dbraw/zinc/45/60/84/1125456084.db2.gz GAKFREDRLPWZKS-CYBMUJFWSA-N -1 1 363.310 4.170 20 0 FIADMM O=S(=O)([N-][C@H]1CCCC12CCCCC2)c1c(Cl)ccnc1Cl ZINC001212488263 1125456873 /nfs/dbraw/zinc/45/68/73/1125456873.db2.gz YLDJBNYPOMYZQT-LBPRGKRZSA-N -1 1 363.310 4.170 20 0 FIADMM O=C(Nc1cccc(Br)c1)c1cc(Br)ccc1[O-] ZINC000001606568 204013311 /nfs/dbraw/zinc/01/33/11/204013311.db2.gz UUZUKTJWGYNICT-UHFFFAOYSA-N -1 1 371.028 4.170 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccc1Cl ZINC000063443787 205292449 /nfs/dbraw/zinc/29/24/49/205292449.db2.gz WBTIRVGNOCWMRB-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000071974278 136141573 /nfs/dbraw/zinc/14/15/73/136141573.db2.gz XSIJXLJGUKPKSG-UHFFFAOYSA-N -1 1 364.898 4.440 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000408241329 568150715 /nfs/dbraw/zinc/15/07/15/568150715.db2.gz IYLAQQCEJZPDGG-AWEZNQCLSA-N -1 1 359.514 4.221 20 0 FIADMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc2o1 ZINC000603978694 568193482 /nfs/dbraw/zinc/19/34/82/568193482.db2.gz HQVBZOODHPZDBC-UHFFFAOYSA-N -1 1 373.430 4.144 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)s1 ZINC000311944674 568208136 /nfs/dbraw/zinc/20/81/36/568208136.db2.gz WRSGLOUEONPGAJ-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1OCC ZINC000007746038 568253078 /nfs/dbraw/zinc/25/30/78/568253078.db2.gz KGMXKOHJRHINJC-UHFFFAOYSA-N -1 1 367.492 4.007 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000563125632 568254808 /nfs/dbraw/zinc/25/48/08/568254808.db2.gz PBRAYNBEYRODKT-KBXCAEBGSA-N -1 1 358.507 4.476 20 0 FIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(Cl)cc1F ZINC000303202271 568257334 /nfs/dbraw/zinc/25/73/34/568257334.db2.gz ONVVHJHUOAJYAE-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM O=C(CCSc1ccccc1F)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000604789352 568367261 /nfs/dbraw/zinc/36/72/61/568367261.db2.gz XOJIPBFZIHIPNG-UHFFFAOYSA-N -1 1 357.410 4.042 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(Br)c1 ZINC000028195831 568520347 /nfs/dbraw/zinc/52/03/47/568520347.db2.gz SODVMJVXKYINPO-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM O=S(=O)([N-][C@H]1CCCC12CCCCC2)c1cc(Cl)cnc1Cl ZINC001212488159 1125457153 /nfs/dbraw/zinc/45/71/53/1125457153.db2.gz USUASTLNWGJPGG-ZDUSSCGKSA-N -1 1 363.310 4.170 20 0 FIADMM Cc1cc(Br)c(CN2CCCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000662215825 1086344158 /nfs/dbraw/zinc/34/41/58/1086344158.db2.gz VXZKZQKRLJPAHW-GFCCVEGCSA-N -1 1 360.679 4.240 20 0 FIADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000763542090 1125557011 /nfs/dbraw/zinc/55/70/11/1125557011.db2.gz DHNQGKJORXVVTI-UHFFFAOYSA-N -1 1 371.191 4.440 20 0 FIADMM C[C@@]([N-]C(=O)C(F)(F)Cc1ccccc1)(c1ccccc1)C(F)(F)F ZINC001266249675 1079541136 /nfs/dbraw/zinc/54/11/36/1079541136.db2.gz QRZGWZNAGRVPAE-MRXNPFEDSA-N -1 1 357.322 4.458 20 0 FIADMM CCC(CC)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000301325602 1079649334 /nfs/dbraw/zinc/64/93/34/1079649334.db2.gz UQZHKBIYPKFLJK-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM CCOc1cc(C(=O)N2CCCC[C@H]2c2cccn2C)cc(Cl)c1[O-] ZINC000186845784 1079704897 /nfs/dbraw/zinc/70/48/97/1079704897.db2.gz JCVMXFQXBWVXAC-INIZCTEOSA-N -1 1 362.857 4.150 20 0 FIADMM O=C([N-]c1nnc(C(F)F)s1)c1ccc(COc2ccc(F)cc2)o1 ZINC000108998215 1079908920 /nfs/dbraw/zinc/90/89/20/1079908920.db2.gz GDEYGUXWISBYFU-UHFFFAOYSA-N -1 1 369.324 4.039 20 0 FIADMM CC(C)c1ccccc1NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127013479 1080063231 /nfs/dbraw/zinc/06/32/31/1080063231.db2.gz NFXBDVLZQYONBJ-UHFFFAOYSA-N -1 1 371.384 4.055 20 0 FIADMM O=c1cc(C(F)(F)F)nc(CNc2ccccc2CCC(F)(F)F)[n-]1 ZINC000179767640 1080275353 /nfs/dbraw/zinc/27/53/53/1080275353.db2.gz BAKDPUBBGKHHJV-UHFFFAOYSA-N -1 1 365.277 4.308 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000182877238 1080356784 /nfs/dbraw/zinc/35/67/84/1080356784.db2.gz VDNZVQUDYHKNBP-UHFFFAOYSA-N -1 1 353.809 4.361 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1F ZINC000089103026 1080432285 /nfs/dbraw/zinc/43/22/85/1080432285.db2.gz VRPGAUYAFKNTJD-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM CCCSCc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000109507699 1080589207 /nfs/dbraw/zinc/58/92/07/1080589207.db2.gz TZMJWDNEUCSATN-UHFFFAOYSA-N -1 1 373.272 4.247 20 0 FIADMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000029323127 1080952629 /nfs/dbraw/zinc/95/26/29/1080952629.db2.gz YDWWKJNQRYRVQX-UHFFFAOYSA-N -1 1 373.478 4.026 20 0 FIADMM Cc1c(NC(=O)Nc2ccc([O-])c(Cl)c2)cccc1NC(=O)N(C)C ZINC000471346566 1080994252 /nfs/dbraw/zinc/99/42/52/1080994252.db2.gz NLTLPMWRTWDTHY-UHFFFAOYSA-N -1 1 362.817 4.092 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1Cl ZINC000063443824 1081070141 /nfs/dbraw/zinc/07/01/41/1081070141.db2.gz HZJCATYDLBRJKK-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(Oc4nccs4)c3)n2)c(F)c1 ZINC000683592222 1081180612 /nfs/dbraw/zinc/18/06/12/1081180612.db2.gz TZSBPPVHFFLBEE-UHFFFAOYSA-N -1 1 355.350 4.497 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1cc(Br)ccc1C1CC1 ZINC001648850767 1081297767 /nfs/dbraw/zinc/29/77/67/1081297767.db2.gz LHPWXCHPOZXDSO-UHFFFAOYSA-N -1 1 350.187 4.424 20 0 FIADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@H](C4CCC4)C3)c2)o1 ZINC001167314995 1081330969 /nfs/dbraw/zinc/33/09/69/1081330969.db2.gz QCWBJLJUGVLTJV-INIZCTEOSA-N -1 1 353.418 4.117 20 0 FIADMM CC[C@H](C)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)c1 ZINC001167322293 1081384668 /nfs/dbraw/zinc/38/46/68/1081384668.db2.gz XWZDLUUTWAJTMI-AWEZNQCLSA-N -1 1 360.479 4.214 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2)o1 ZINC000055582435 1081712720 /nfs/dbraw/zinc/71/27/20/1081712720.db2.gz NZUXBVJITLEFHX-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000580266017 1081789074 /nfs/dbraw/zinc/78/90/74/1081789074.db2.gz WCFUPOYSNVZQFW-UHFFFAOYSA-N -1 1 362.451 4.287 20 0 FIADMM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000580388342 1081918149 /nfs/dbraw/zinc/91/81/49/1081918149.db2.gz UHYJAZITMXUGIV-SFHVURJKSA-N -1 1 355.821 4.386 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1C(C)C ZINC000683926150 1081927058 /nfs/dbraw/zinc/92/70/58/1081927058.db2.gz LDZIXOJWYVUTLF-UHFFFAOYSA-N -1 1 358.463 4.409 20 0 FIADMM COc1ccc(-c2nnc([N-]C(=O)c3ccoc3C(F)(F)F)s2)cc1 ZINC000581400920 1082527712 /nfs/dbraw/zinc/52/77/12/1082527712.db2.gz JKYQJQZHOSCRCP-UHFFFAOYSA-N -1 1 369.324 4.078 20 0 FIADMM CCc1cc2c(COC(=O)c3ccc(C(F)F)cc3)cc(=O)oc2cc1[O-] ZINC000728342708 1082651296 /nfs/dbraw/zinc/65/12/96/1082651296.db2.gz PEEJRGNHKOHKKV-UHFFFAOYSA-N -1 1 374.339 4.356 20 0 FIADMM O=C([O-])c1ccoc1CN1CCC(c2ccccc2Br)CC1 ZINC000581553869 1082659119 /nfs/dbraw/zinc/65/91/19/1082659119.db2.gz JNKFIEXADZCRQD-UHFFFAOYSA-N -1 1 364.239 4.120 20 0 FIADMM O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccc([O-])c(F)c1 ZINC000684334193 1082708174 /nfs/dbraw/zinc/70/81/74/1082708174.db2.gz MNWLMFPZXLQXPY-UHFFFAOYSA-N -1 1 367.764 4.095 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]cc1-c1ccccc1F ZINC000581643939 1082742185 /nfs/dbraw/zinc/74/21/85/1082742185.db2.gz MWARWFBXAYEJJZ-UHFFFAOYSA-N -1 1 362.364 4.169 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CCC(C2CCC2)CC1 ZINC000656759043 1082752231 /nfs/dbraw/zinc/75/22/31/1082752231.db2.gz UUMLFKBYNMEPOY-MRXNPFEDSA-N -1 1 370.262 4.226 20 0 FIADMM O=C([O-])c1ccccc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000656759754 1082752355 /nfs/dbraw/zinc/75/23/55/1082752355.db2.gz LDPHHXWYYJJFME-UHFFFAOYSA-N -1 1 365.260 4.014 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)cc2F)[C@@H]2CCCC[C@H]12 ZINC000656763778 1082756583 /nfs/dbraw/zinc/75/65/83/1082756583.db2.gz HYNWAAHTVUNTJJ-IIAWOOMASA-N -1 1 370.262 4.054 20 0 FIADMM CC[C@H](CC(=O)N1CCC[C@H](c2n[n-]c(=S)n2CC)C1)c1ccccc1 ZINC000078622227 1082831095 /nfs/dbraw/zinc/83/10/95/1082831095.db2.gz PHBZIPXKWJPWHC-WBVHZDCISA-N -1 1 372.538 4.250 20 0 FIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(F)cc1Cl ZINC000127281329 1082870717 /nfs/dbraw/zinc/87/07/17/1082870717.db2.gz VYAZWJFNXPARQL-UHFFFAOYSA-N -1 1 372.824 4.019 20 0 FIADMM Cc1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c(C(F)(F)F)o1 ZINC000471751535 1082949181 /nfs/dbraw/zinc/94/91/81/1082949181.db2.gz ZWIQZEBXHHMQLI-UHFFFAOYSA-N -1 1 359.354 4.439 20 0 FIADMM O=C(c1coc2cc(F)ccc12)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000684459720 1082995522 /nfs/dbraw/zinc/99/55/22/1082995522.db2.gz NVUWZKOYEPZNRD-UHFFFAOYSA-N -1 1 367.376 4.013 20 0 FIADMM CC(C)c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000130866499 1083054800 /nfs/dbraw/zinc/05/48/00/1083054800.db2.gz VFTAFBWKZUJFCR-UHFFFAOYSA-N -1 1 359.332 4.096 20 0 FIADMM CCSc1nccnc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000430697144 1083071292 /nfs/dbraw/zinc/07/12/92/1083071292.db2.gz DCSJFQHYSVCLRR-UHFFFAOYSA-N -1 1 373.425 4.337 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1OC(C)C ZINC000558581201 1083079600 /nfs/dbraw/zinc/07/96/00/1083079600.db2.gz HAVVKTPBFDTISE-UHFFFAOYSA-N -1 1 357.834 4.376 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(Cl)ccc1Cl ZINC000431166363 1083365330 /nfs/dbraw/zinc/36/53/30/1083365330.db2.gz ITAVLRUDXWSCAO-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM Cc1cccc2nc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)sc21 ZINC000684578186 1083486545 /nfs/dbraw/zinc/48/65/45/1083486545.db2.gz MIWZAJXSBLRGLQ-UHFFFAOYSA-N -1 1 352.459 4.410 20 0 FIADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000535691349 1083580580 /nfs/dbraw/zinc/58/05/80/1083580580.db2.gz BRDJCHHKEFGVCG-UHFFFAOYSA-N -1 1 370.805 4.233 20 0 FIADMM CCc1[n-][nH]c(=NC(=O)[C@H](C)c2ccc3ccccc3c2)c1Br ZINC000426891027 1083596013 /nfs/dbraw/zinc/59/60/13/1083596013.db2.gz VXFBEZXAZAWCJF-LLVKDONJSA-N -1 1 372.266 4.052 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000065837179 1083652792 /nfs/dbraw/zinc/65/27/92/1083652792.db2.gz LLGCLVKADVJBCF-OAHLLOKOSA-N -1 1 374.440 4.163 20 0 FIADMM CCOc1cc(C(=O)N2CC(CC)(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000458238760 1083682783 /nfs/dbraw/zinc/68/27/83/1083682783.db2.gz ZWHWRTPDMKCRKP-UHFFFAOYSA-N -1 1 359.853 4.248 20 0 FIADMM CCCC[C@H](CCC)NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000177289642 1083825744 /nfs/dbraw/zinc/82/57/44/1083825744.db2.gz MXLDXNQDIFYFFA-LBPRGKRZSA-N -1 1 352.529 4.144 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000584487968 1083900286 /nfs/dbraw/zinc/90/02/86/1083900286.db2.gz IWPXHCPFGSPCKG-OAHLLOKOSA-N -1 1 360.251 4.175 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccc(F)cc1)C1CC1 ZINC000215763718 1083965855 /nfs/dbraw/zinc/96/58/55/1083965855.db2.gz FJYACSRNRFTSSY-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000684661557 1084113716 /nfs/dbraw/zinc/11/37/16/1084113716.db2.gz YOJSXNVLHHHKIE-UHFFFAOYSA-N -1 1 350.189 4.003 20 0 FIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024229520 1084178239 /nfs/dbraw/zinc/17/82/39/1084178239.db2.gz MORZZVKYXSBVFY-UHFFFAOYSA-N -1 1 365.760 4.348 20 0 FIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(Cl)cc1Cl ZINC000511409448 1084272119 /nfs/dbraw/zinc/27/21/19/1084272119.db2.gz CXWRCAJVKVAIOY-UHFFFAOYSA-N -1 1 362.200 4.004 20 0 FIADMM CC(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780375624 1084319628 /nfs/dbraw/zinc/31/96/28/1084319628.db2.gz YOQGHKOKDPIZDH-UHFFFAOYSA-N -1 1 355.406 4.460 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1F ZINC000071975787 1084488178 /nfs/dbraw/zinc/48/81/78/1084488178.db2.gz JVTWTJZKLITFNI-UHFFFAOYSA-N -1 1 362.426 4.374 20 0 FIADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccc(F)cc1C(F)(F)F ZINC000582203957 1084765465 /nfs/dbraw/zinc/76/54/65/1084765465.db2.gz ADEKYLIXTKMAGY-UHFFFAOYSA-N -1 1 367.751 4.440 20 0 FIADMM O=C([O-])c1cccc(Cl)c1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000563285275 1084773934 /nfs/dbraw/zinc/77/39/34/1084773934.db2.gz XQWDTSKORDBCNM-KRWDZBQOSA-N -1 1 373.880 4.262 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000174759684 1084823798 /nfs/dbraw/zinc/82/37/98/1084823798.db2.gz VLPLCRXXHWLROU-UHFFFAOYSA-N -1 1 361.410 4.314 20 0 FIADMM C[C@H](C(=O)NCc1n[n-]c(=S)n1C1CC1)c1c(Cl)cccc1Cl ZINC000066637534 1084833388 /nfs/dbraw/zinc/83/33/88/1084833388.db2.gz SRBITUBRKWYBFD-QMMMGPOBSA-N -1 1 371.293 4.002 20 0 FIADMM CC(C)n1c(CNC(=O)c2sccc2-c2ccccc2)n[n-]c1=S ZINC000066650025 1084858301 /nfs/dbraw/zinc/85/83/01/1084858301.db2.gz XOIUXCHXDCAOJE-UHFFFAOYSA-N -1 1 358.492 4.180 20 0 FIADMM CC(C)n1c(CNC(=O)CCc2ccc(Cl)cc2Cl)n[n-]c1=S ZINC000066650180 1084867605 /nfs/dbraw/zinc/86/76/05/1084867605.db2.gz YFYCTHMBALEQAX-UHFFFAOYSA-N -1 1 373.309 4.077 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000582333059 1084876200 /nfs/dbraw/zinc/87/62/00/1084876200.db2.gz TZCXNMZYLPSGPH-UHFFFAOYSA-N -1 1 360.262 4.249 20 0 FIADMM CCc1cc2c(CN3CCCc4c(F)cccc43)cc(=O)oc2cc1[O-] ZINC001167567744 1084918414 /nfs/dbraw/zinc/91/84/14/1084918414.db2.gz JTNGHYYUUZZFMY-UHFFFAOYSA-N -1 1 353.393 4.153 20 0 FIADMM COc1cc(Cl)ccc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873421 1085003307 /nfs/dbraw/zinc/00/33/07/1085003307.db2.gz KDLPFEUYEWDDGL-UHFFFAOYSA-N -1 1 359.731 4.003 20 0 FIADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872602 1085005396 /nfs/dbraw/zinc/00/53/96/1085005396.db2.gz FMYJOIHYUVUTIP-VIFPVBQESA-N -1 1 357.303 4.050 20 0 FIADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872657 1085005504 /nfs/dbraw/zinc/00/55/04/1085005504.db2.gz XYSZYLHYTFONNV-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872600 1085006248 /nfs/dbraw/zinc/00/62/48/1085006248.db2.gz FMYJOIHYUVUTIP-SECBINFHSA-N -1 1 357.303 4.050 20 0 FIADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873120 1085006968 /nfs/dbraw/zinc/00/69/68/1085006968.db2.gz UGRMSBMREXQJDL-SJKOYZFVSA-N -1 1 365.351 4.013 20 0 FIADMM CC[C@](C)(NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1nc(C)cs1 ZINC000684875781 1085012190 /nfs/dbraw/zinc/01/21/90/1085012190.db2.gz MCLNGZNAOMBZJL-HNNXBMFYSA-N -1 1 358.385 4.231 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc(C)c1F ZINC000432202976 1085231311 /nfs/dbraw/zinc/23/13/11/1085231311.db2.gz RTJFQQYLGXKSJR-UHFFFAOYSA-N -1 1 360.410 4.262 20 0 FIADMM O=C(NCc1ccccc1OCc1ccccc1)c1c(F)ccc([O-])c1F ZINC000582930817 1085927136 /nfs/dbraw/zinc/92/71/36/1085927136.db2.gz FRAIRLRYFUTOLR-UHFFFAOYSA-N -1 1 369.367 4.179 20 0 FIADMM CCC(CC)N(CCOC)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000652394830 1085991790 /nfs/dbraw/zinc/99/17/90/1085991790.db2.gz JBVLSUGKPUVMMJ-UHFFFAOYSA-N -1 1 362.495 4.145 20 0 FIADMM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434679 1086044176 /nfs/dbraw/zinc/04/41/76/1086044176.db2.gz BTUNFIWTCLLHBM-CYBMUJFWSA-N -1 1 351.855 4.061 20 0 FIADMM O=C([O-])[C@@H]1CN(CCOc2cc(Cl)ccc2Cl)Cc2ccccc21 ZINC000652470651 1086083673 /nfs/dbraw/zinc/08/36/73/1086083673.db2.gz DQTRADXWGWXSBF-OAHLLOKOSA-N -1 1 366.244 4.056 20 0 FIADMM O=C([O-])CCCN(Cc1coc(-c2cccs2)n1)Cc1ccccc1 ZINC000652494962 1086119024 /nfs/dbraw/zinc/11/90/24/1086119024.db2.gz GPURSUJWVQUKHC-UHFFFAOYSA-N -1 1 356.447 4.270 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC000662213020 1086336176 /nfs/dbraw/zinc/33/61/76/1086336176.db2.gz ZNCVCSQIYMAHSG-LBPRGKRZSA-N -1 1 374.706 4.488 20 0 FIADMM COc1ccc(-c2nc(-c3cccnc3Oc3ccccc3)no2)c([O-])c1 ZINC000184852417 1086363138 /nfs/dbraw/zinc/36/31/38/1086363138.db2.gz RHCGCIWPIFTMBQ-UHFFFAOYSA-N -1 1 361.357 4.305 20 0 FIADMM O=C([N-][C@H](c1nccs1)c1ccccc1)C(F)(F)c1ccc(F)cc1 ZINC000728849367 1086398732 /nfs/dbraw/zinc/39/87/32/1086398732.db2.gz GTELRLQVGVFCGD-HNNXBMFYSA-N -1 1 362.376 4.280 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)cc1 ZINC000150873424 1086521952 /nfs/dbraw/zinc/52/19/52/1086521952.db2.gz XVWPMMDCQKLOHA-CQSZACIVSA-N -1 1 374.506 4.011 20 0 FIADMM CCCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001625913399 1086561474 /nfs/dbraw/zinc/56/14/74/1086561474.db2.gz JORWGGHPEWAIPB-UHFFFAOYSA-N -1 1 353.340 4.130 20 0 FIADMM COc1ccc2nc(C3CC3)cc(C(=O)Nc3c([O-])cccc3F)c2c1 ZINC000092551584 1086568923 /nfs/dbraw/zinc/56/89/23/1086568923.db2.gz RMLHJTAXTHYONI-UHFFFAOYSA-N -1 1 352.365 4.218 20 0 FIADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000531126605 1086720284 /nfs/dbraw/zinc/72/02/84/1086720284.db2.gz PFEICUWLLJAUCC-UHFFFAOYSA-N -1 1 374.245 4.055 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)s1 ZINC000128008974 1086776229 /nfs/dbraw/zinc/77/62/29/1086776229.db2.gz MNCVSESHHVCFRE-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM Cc1ccc(-c2csc(NC(=O)c3c(F)ccc([O-])c3F)n2)s1 ZINC000536103521 1086916372 /nfs/dbraw/zinc/91/63/72/1086916372.db2.gz WIUQPVWIZXXHMM-UHFFFAOYSA-N -1 1 352.387 4.416 20 0 FIADMM O=C([O-])c1cc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000583818186 1086976617 /nfs/dbraw/zinc/97/66/17/1086976617.db2.gz QAORICNUXDHDDM-UHFFFAOYSA-N -1 1 363.866 4.195 20 0 FIADMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000151505624 1087115599 /nfs/dbraw/zinc/11/55/99/1087115599.db2.gz YBNNIPWJQGXSIV-LBPRGKRZSA-N -1 1 371.462 4.015 20 0 FIADMM COCCSCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000278751141 1087318660 /nfs/dbraw/zinc/31/86/60/1087318660.db2.gz QAXNLCHLZMXVPW-UHFFFAOYSA-N -1 1 350.509 4.019 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000084460694 1087350517 /nfs/dbraw/zinc/35/05/17/1087350517.db2.gz SGUCSNQIWQAXRP-UHFFFAOYSA-N -1 1 368.458 4.298 20 0 FIADMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4O)C3)[nH]c2c1 ZINC000171197263 1087519063 /nfs/dbraw/zinc/51/90/63/1087519063.db2.gz WAXWSSCQLWQOSE-ZDUSSCGKSA-N -1 1 369.852 4.250 20 0 FIADMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4[O-])C3)[nH]c2c1 ZINC000171197263 1087519066 /nfs/dbraw/zinc/51/90/66/1087519066.db2.gz WAXWSSCQLWQOSE-ZDUSSCGKSA-N -1 1 369.852 4.250 20 0 FIADMM COc1ccc2oc([C@@H](C)NC(=O)c3c(F)ccc([O-])c3F)c(C)c2c1 ZINC000685433433 1087566639 /nfs/dbraw/zinc/56/66/39/1087566639.db2.gz ZTCATFWAFAGTRD-SNVBAGLBSA-N -1 1 361.344 4.225 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1 ZINC000612058680 1087727931 /nfs/dbraw/zinc/72/79/31/1087727931.db2.gz MFTNHJCQBASJAQ-UHFFFAOYSA-N -1 1 358.507 4.430 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c(=O)c3c2)cc1 ZINC000424090541 1087759334 /nfs/dbraw/zinc/75/93/34/1087759334.db2.gz XWWKLYWAWXUJEM-UHFFFAOYSA-N -1 1 370.474 4.429 20 0 FIADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2cc(COC(C)(C)C)on2)c1F ZINC000472359637 1087791596 /nfs/dbraw/zinc/79/15/96/1087791596.db2.gz HNKWQYDCDMGKON-UHFFFAOYSA-N -1 1 358.772 4.482 20 0 FIADMM CCOc1cc(C(=O)Nc2nc3ccccc3n2CC)cc(Cl)c1[O-] ZINC000186445848 1087886318 /nfs/dbraw/zinc/88/63/18/1087886318.db2.gz SEXXHUXBBLJPPM-UHFFFAOYSA-N -1 1 359.813 4.066 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc(Cl)c1[O-] ZINC000186565911 1087925055 /nfs/dbraw/zinc/92/50/55/1087925055.db2.gz QOAMEZKCEIQZGB-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM CCOc1cc(C(=O)Nc2nc(-c3ccco3)cs2)cc(Cl)c1[O-] ZINC000186794269 1087990415 /nfs/dbraw/zinc/99/04/15/1087990415.db2.gz QHJMMVQVRFVFIJ-UHFFFAOYSA-N -1 1 364.810 4.413 20 0 FIADMM CCOc1cc(C(=O)NCc2coc(-c3ccccc3)n2)cc(Cl)c1[O-] ZINC000186832928 1088002701 /nfs/dbraw/zinc/00/27/01/1088002701.db2.gz ITTDZUHATUEZSE-UHFFFAOYSA-N -1 1 372.808 4.029 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000186879764 1088023403 /nfs/dbraw/zinc/02/34/03/1088023403.db2.gz XHOMKAGWQSOVCW-FQEVSTJZSA-N -1 1 369.367 4.037 20 0 FIADMM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(C(F)(F)F)s3)s2)o1 ZINC000031286025 1088469305 /nfs/dbraw/zinc/46/93/05/1088469305.db2.gz RJOZCJZJBKMEHU-UHFFFAOYSA-N -1 1 374.369 4.143 20 0 FIADMM CC(C)Cn1nccc1CN[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000647645510 1088505827 /nfs/dbraw/zinc/50/58/27/1088505827.db2.gz FGBGDXBCMNITGT-MRXNPFEDSA-N -1 1 370.280 4.152 20 0 FIADMM O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc([O-])cc1F ZINC000311394995 1088620274 /nfs/dbraw/zinc/62/02/74/1088620274.db2.gz OJSBGYGPKQJCDL-UHFFFAOYSA-N -1 1 351.377 4.040 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000180342042 1088770886 /nfs/dbraw/zinc/77/08/86/1088770886.db2.gz RAJGYNMLPLMZHE-UHFFFAOYSA-N -1 1 363.335 4.046 20 0 FIADMM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180494567 1088773484 /nfs/dbraw/zinc/77/34/84/1088773484.db2.gz UHTIXWWNSPIIOV-PXAZEXFGSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(Nc1cccc(NC(=O)c2ccc([O-])cc2F)c1)c1cccs1 ZINC000181092099 1088786506 /nfs/dbraw/zinc/78/65/06/1088786506.db2.gz HEFVTOFVZBUHRK-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000066778592 1089140745 /nfs/dbraw/zinc/14/07/45/1089140745.db2.gz FKMCTKKKQWHXDQ-UHFFFAOYSA-N -1 1 374.416 4.223 20 0 FIADMM Cc1cc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1C(C)C ZINC000613665236 1089249199 /nfs/dbraw/zinc/24/91/99/1089249199.db2.gz KKTRKVPTGQBBCM-UHFFFAOYSA-N -1 1 365.433 4.232 20 0 FIADMM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613667509 1089255564 /nfs/dbraw/zinc/25/55/64/1089255564.db2.gz XLBHKQZXIYHCMB-UHFFFAOYSA-N -1 1 363.417 4.001 20 0 FIADMM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613667690 1089260936 /nfs/dbraw/zinc/26/09/36/1089260936.db2.gz DDAPABJLFRQDNQ-UHFFFAOYSA-N -1 1 366.402 4.060 20 0 FIADMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1Cl ZINC000613668338 1089267819 /nfs/dbraw/zinc/26/78/19/1089267819.db2.gz IXLPIGHWCNYYIY-LBPRGKRZSA-N -1 1 371.824 4.150 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@@H]3C3CC3)n2)cc(Br)c1[O-] ZINC000514773357 1089456776 /nfs/dbraw/zinc/45/67/76/1089456776.db2.gz VXFHKCBLEBAVOX-GHMZBOCLSA-N -1 1 365.227 4.117 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1F ZINC000435472215 1089687994 /nfs/dbraw/zinc/68/79/94/1089687994.db2.gz KHMLAERFKQVHDC-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM Cc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435479351 1089696671 /nfs/dbraw/zinc/69/66/71/1089696671.db2.gz YHNGGFREGABFBI-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM O=C([O-])c1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1Cl ZINC000515305888 1089947095 /nfs/dbraw/zinc/94/70/95/1089947095.db2.gz KOBQQXPDWDCEAB-GFCCVEGCSA-N -1 1 351.780 4.306 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1csc(-c2ccccn2)n1 ZINC000182129037 1090330900 /nfs/dbraw/zinc/33/09/00/1090330900.db2.gz CPOZZDZGYFVGMO-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(C)c1 ZINC000543865258 1090429126 /nfs/dbraw/zinc/42/91/26/1090429126.db2.gz CLSBEYNBXZDCPT-UHFFFAOYSA-N -1 1 372.446 4.240 20 0 FIADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cnc([C@H]3CCCO3)s2)cc1 ZINC000417562267 1090927573 /nfs/dbraw/zinc/92/75/73/1090927573.db2.gz CFMMSCLQHFQPIF-ZWKOTPCHSA-N -1 1 374.506 4.424 20 0 FIADMM Cc1cc([C@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])ccc1Cl ZINC000417575424 1090933271 /nfs/dbraw/zinc/93/32/71/1090933271.db2.gz SOKCNRCKAGVXFZ-NSHDSACASA-N -1 1 364.776 4.039 20 0 FIADMM Cc1cc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c(OC(F)F)cc1C ZINC000417648693 1090950150 /nfs/dbraw/zinc/95/01/50/1090950150.db2.gz OQDAEKSCUDMAGW-UHFFFAOYSA-N -1 1 371.330 4.171 20 0 FIADMM C[C@@H]1CCc2nc(CN[C@@H](C(=O)[O-])C(C3CCC3)C3CCC3)sc2C1 ZINC000417644811 1090953337 /nfs/dbraw/zinc/95/33/37/1090953337.db2.gz CGGIPYXCIJCZEK-CWTRNNRKSA-N -1 1 362.539 4.027 20 0 FIADMM CC(C)(C)c1ccc(-c2ccc(CN[C@@H](C[C@@H]3CCOC3)C(=O)[O-])o2)cc1 ZINC000417663166 1090954426 /nfs/dbraw/zinc/95/44/26/1090954426.db2.gz MURPQCOAEZZCCI-KXBFYZLASA-N -1 1 371.477 4.214 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1 ZINC000007726319 1091850646 /nfs/dbraw/zinc/85/06/46/1091850646.db2.gz UVXKXBIBTSFUPL-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)s1 ZINC000432644962 1092024120 /nfs/dbraw/zinc/02/41/20/1092024120.db2.gz VESLJQANZFDFGD-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c2ccccc12 ZINC000432647702 1092025280 /nfs/dbraw/zinc/02/52/80/1092025280.db2.gz SYNVWYZCLDSWKG-UHFFFAOYSA-N -1 1 352.415 4.131 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1Br ZINC000432656726 1092029608 /nfs/dbraw/zinc/02/96/08/1092029608.db2.gz VHFTZYDHMOBSJD-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM Cc1ccccc1[C@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])CCO1 ZINC000520824306 1092297876 /nfs/dbraw/zinc/29/78/76/1092297876.db2.gz UNIJKVXYIMNZKM-GOSISDBHSA-N -1 1 367.470 4.481 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000521040782 1092451842 /nfs/dbraw/zinc/45/18/42/1092451842.db2.gz CZPWLVLHIDENIW-ZETCQYMHSA-N -1 1 362.760 4.218 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(F)cc1F ZINC000442222402 1092513484 /nfs/dbraw/zinc/51/34/84/1092513484.db2.gz VLAJFLHCZIOFOK-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM CC(C)n1c(CCNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)n[n-]c1=S ZINC000067072624 1092843758 /nfs/dbraw/zinc/84/37/58/1092843758.db2.gz IWIVUZPJLQZKEW-ZIAGYGMSSA-N -1 1 352.548 4.033 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(C)s2)cc(Cl)c1[O-] ZINC000442976626 1092883125 /nfs/dbraw/zinc/88/31/25/1092883125.db2.gz MVHRFNQHZCDLIA-CYBMUJFWSA-N -1 1 351.855 4.401 20 0 FIADMM COc1cc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc(Cl)c1[O-] ZINC000442977676 1092884392 /nfs/dbraw/zinc/88/43/92/1092884392.db2.gz BAQXNYWWOAIOML-RNCFNFMXSA-N -1 1 370.207 4.133 20 0 FIADMM COc1cc(C(=O)N(C)Cc2ccc(F)cc2Cl)cc(Cl)c1[O-] ZINC000442964436 1092891376 /nfs/dbraw/zinc/89/13/76/1092891376.db2.gz IXHUIJDGYGKIJI-UHFFFAOYSA-N -1 1 358.196 4.119 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000442967361 1092895274 /nfs/dbraw/zinc/89/52/74/1092895274.db2.gz PYRZMSFCEWSCPQ-BXUZGUMPSA-N -1 1 363.816 4.212 20 0 FIADMM CCOc1cc(Cl)ccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443057736 1092930762 /nfs/dbraw/zinc/93/07/62/1092930762.db2.gz KZKIKHOTOSQCHF-UHFFFAOYSA-N -1 1 356.205 4.359 20 0 FIADMM COc1cc(C(=O)Nc2ccc(OC(C)C)c(OC)c2)cc(Cl)c1[O-] ZINC000443124205 1092954548 /nfs/dbraw/zinc/95/45/48/1092954548.db2.gz ANNQOFSCTYJAEX-UHFFFAOYSA-N -1 1 365.813 4.102 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2ccc3ncsc3c2)cc(Cl)c1[O-] ZINC000443201200 1092989261 /nfs/dbraw/zinc/98/92/61/1092989261.db2.gz HUCARDQIOPBCSM-SECBINFHSA-N -1 1 362.838 4.155 20 0 FIADMM CCOCc1ccccc1-c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443204575 1092990208 /nfs/dbraw/zinc/99/02/08/1092990208.db2.gz PLELIBTZGIWNGU-UHFFFAOYSA-N -1 1 360.797 4.308 20 0 FIADMM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000614152365 1092994709 /nfs/dbraw/zinc/99/47/09/1092994709.db2.gz BJPSRCSUOLJNOD-CQSZACIVSA-N -1 1 370.880 4.101 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc(Cl)c1[O-] ZINC000443281848 1093032346 /nfs/dbraw/zinc/03/23/46/1093032346.db2.gz HGZHDYHCPSHMTQ-HIFRSBDPSA-N -1 1 359.853 4.148 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cc(Cl)c1[O-] ZINC000443299643 1093034904 /nfs/dbraw/zinc/03/49/04/1093034904.db2.gz WMICPNAHWCMODN-ZBEGNZNMSA-N -1 1 363.816 4.417 20 0 FIADMM COc1cc(C(=O)Nc2ccc(F)c(Br)c2)cc(Cl)c1[O-] ZINC000443288905 1093035258 /nfs/dbraw/zinc/03/52/58/1093035258.db2.gz YYJPQUAWFFMGCT-UHFFFAOYSA-N -1 1 374.593 4.208 20 0 FIADMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000443414434 1093110008 /nfs/dbraw/zinc/11/00/08/1093110008.db2.gz INNWAEZOILYTST-UHFFFAOYSA-N -1 1 373.305 4.477 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1Br ZINC000152204251 1093177285 /nfs/dbraw/zinc/17/72/85/1093177285.db2.gz XXIOPADOUCVOGV-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1ccc(NC(=O)[C@@H](C)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000522321235 1093317465 /nfs/dbraw/zinc/31/74/65/1093317465.db2.gz IRSMNOAVMATBDR-OAHLLOKOSA-N -1 1 374.506 4.417 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)sc1Cl ZINC000473479423 1093357396 /nfs/dbraw/zinc/35/73/96/1093357396.db2.gz CKWWUSFDKYEKTQ-UHFFFAOYSA-N -1 1 358.218 4.442 20 0 FIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000522361785 1093410862 /nfs/dbraw/zinc/41/08/62/1093410862.db2.gz KMTDOJYEZYXJAA-UHFFFAOYSA-N -1 1 362.282 4.188 20 0 FIADMM O=S(=O)([N-]c1ccc(SCc2cccnc2)cc1)c1ccc(F)cc1 ZINC000012649358 1093715010 /nfs/dbraw/zinc/71/50/10/1093715010.db2.gz CJOWJHBYVFFQCY-UHFFFAOYSA-N -1 1 374.462 4.314 20 0 FIADMM O=[P@]([O-])(O)C1(Nc2ccc(F)c3ccccc23)Cc2ccccc2C1 ZINC001167936664 1093942793 /nfs/dbraw/zinc/94/27/93/1093942793.db2.gz LHTWSKMHGQMPPJ-UHFFFAOYSA-N -1 1 357.321 4.064 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000022931024 1094037364 /nfs/dbraw/zinc/03/73/64/1094037364.db2.gz UKNHTAISFXAXRY-HNNXBMFYSA-N -1 1 373.522 4.053 20 0 FIADMM CCc1ccc([C@@H]2CCCN(Cc3nc(=O)c4sccc4[n-]3)C2)cc1 ZINC000513372355 1094089606 /nfs/dbraw/zinc/08/96/06/1094089606.db2.gz STCCFYZNSKIXEI-MRXNPFEDSA-N -1 1 353.491 4.339 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000474701856 1094525302 /nfs/dbraw/zinc/52/53/02/1094525302.db2.gz OMEBEPIORGJZOK-UHFFFAOYSA-N -1 1 362.433 4.102 20 0 FIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1sccc1F ZINC000501751254 1094909408 /nfs/dbraw/zinc/90/94/08/1094909408.db2.gz NEDMYZSGRMPBKV-UHFFFAOYSA-N -1 1 353.831 4.235 20 0 FIADMM CC1(C)CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000513730873 1095145340 /nfs/dbraw/zinc/14/53/40/1095145340.db2.gz PCGHVXJVHRVLTB-OAHLLOKOSA-N -1 1 372.490 4.252 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cc(Cl)c1[O-] ZINC000502160471 1095163424 /nfs/dbraw/zinc/16/34/24/1095163424.db2.gz UWBMGBDFLHLFNF-GFCCVEGCSA-N -1 1 363.816 4.213 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000502686409 1095715017 /nfs/dbraw/zinc/71/50/17/1095715017.db2.gz JXPGUPLZOPYBNP-MSQAHXEGSA-N -1 1 363.417 4.241 20 0 FIADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC001269193364 1096018014 /nfs/dbraw/zinc/01/80/14/1096018014.db2.gz VJJSHMDHQBMLNW-UHFFFAOYSA-N -1 1 352.268 4.236 20 0 FIADMM CCSc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505731633 1098597123 /nfs/dbraw/zinc/59/71/23/1098597123.db2.gz PKXSTUHFFZEBAQ-UHFFFAOYSA-N -1 1 365.838 4.197 20 0 FIADMM CCCC(=O)Nc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000515560163 1098720756 /nfs/dbraw/zinc/72/07/56/1098720756.db2.gz AUXLIVHACCMNPE-UHFFFAOYSA-N -1 1 362.429 4.214 20 0 FIADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)s1 ZINC000436149897 1098773522 /nfs/dbraw/zinc/77/35/22/1098773522.db2.gz BJCNUBZQQPRGEJ-UHFFFAOYSA-N -1 1 360.888 4.001 20 0 FIADMM CSc1c(F)cccc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000436160040 1098779092 /nfs/dbraw/zinc/77/90/92/1098779092.db2.gz JTYFLRZMRXTJSY-UHFFFAOYSA-N -1 1 367.858 4.327 20 0 FIADMM Cc1cc(-c2noc([C@@H](C)Sc3nc(C4CC4)cc(=O)[n-]3)n2)ccc1F ZINC000436247961 1098853899 /nfs/dbraw/zinc/85/38/99/1098853899.db2.gz WNQCAXPGCNOUAZ-SNVBAGLBSA-N -1 1 372.425 4.410 20 0 FIADMM Cc1sc2nc([C@H](C)Sc3nc(C4CC4)cc(=O)[n-]3)nc(N)c2c1C ZINC000436253807 1098868476 /nfs/dbraw/zinc/86/84/76/1098868476.db2.gz OCECOMROTOPSKS-VIFPVBQESA-N -1 1 373.507 4.117 20 0 FIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)o1 ZINC000533229119 1098902448 /nfs/dbraw/zinc/90/24/48/1098902448.db2.gz YOASCGKLNBKUPU-UHFFFAOYSA-N -1 1 373.478 4.385 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000436476854 1099051214 /nfs/dbraw/zinc/05/12/14/1099051214.db2.gz GZWINRQDPFOSDV-UHFFFAOYSA-N -1 1 359.369 4.083 20 0 FIADMM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000436482013 1099053135 /nfs/dbraw/zinc/05/31/35/1099053135.db2.gz BVMZLYNHCLPHKT-UHFFFAOYSA-N -1 1 372.783 4.302 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000436494977 1099056737 /nfs/dbraw/zinc/05/67/37/1099056737.db2.gz GQNKKDIALDXLOW-LLVKDONJSA-N -1 1 374.799 4.346 20 0 FIADMM [O-]c1c(-c2nc(-c3ccnc(OC(F)F)c3)no2)ccc2ccccc21 ZINC000436487787 1099064153 /nfs/dbraw/zinc/06/41/53/1099064153.db2.gz KQZAZIAVYXKJGC-UHFFFAOYSA-N -1 1 355.300 4.259 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)c(C)oc2-c2ccccc2)c1 ZINC000436516913 1099074231 /nfs/dbraw/zinc/07/42/31/1099074231.db2.gz XXHNXNDTKDYNPU-UHFFFAOYSA-N -1 1 365.385 4.308 20 0 FIADMM Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1C ZINC000436519770 1099076221 /nfs/dbraw/zinc/07/62/21/1099076221.db2.gz BEIFWFUUFOMKSW-UHFFFAOYSA-N -1 1 359.853 4.346 20 0 FIADMM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436527491 1099082810 /nfs/dbraw/zinc/08/28/10/1099082810.db2.gz LNCNWDPSTSNQNY-UHFFFAOYSA-N -1 1 355.821 4.350 20 0 FIADMM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])c1nc(-c2ccccc2)no1 ZINC000436527493 1099083765 /nfs/dbraw/zinc/08/37/65/1099083765.db2.gz LNINXXWEASFLFS-CQSZACIVSA-N -1 1 373.412 4.129 20 0 FIADMM CCOc1cccc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000436534728 1099089420 /nfs/dbraw/zinc/08/94/20/1099089420.db2.gz PMOYWAPBRMLLED-GFCCVEGCSA-N -1 1 363.841 4.334 20 0 FIADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549229 1099097162 /nfs/dbraw/zinc/09/71/62/1099097162.db2.gz UJDVQVBVRFWYAP-GXTWGEPZSA-N -1 1 360.251 4.173 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCc2cc(Cl)ccc21 ZINC000436553382 1099099711 /nfs/dbraw/zinc/09/97/11/1099099711.db2.gz FSCWGFYANWYKFP-UHFFFAOYSA-N -1 1 352.615 4.011 20 0 FIADMM O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1cc(F)ccc1[O-] ZINC000436553179 1099099879 /nfs/dbraw/zinc/09/98/79/1099099879.db2.gz CEMYIQJCSVFPAU-UHFFFAOYSA-N -1 1 374.375 4.236 20 0 FIADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436555385 1099101646 /nfs/dbraw/zinc/10/16/46/1099101646.db2.gz IPPGCKYKGDCOKO-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2cccc(OCc3ccccc3)n2)no1 ZINC000436543727 1099109033 /nfs/dbraw/zinc/10/90/33/1099109033.db2.gz MNBPWWWAMPHSCY-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CCc1ccc([C@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCO2)cc1 ZINC000436544657 1099110072 /nfs/dbraw/zinc/11/00/72/1099110072.db2.gz LQQXENNWNHGZCN-OAQYLSRUSA-N -1 1 361.441 4.322 20 0 FIADMM COc1ccc(OC(F)F)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436559995 1099114002 /nfs/dbraw/zinc/11/40/02/1099114002.db2.gz ZMRJFSIQWOERAC-UHFFFAOYSA-N -1 1 359.328 4.408 20 0 FIADMM CN(C(=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1)c1ccccc1 ZINC000436560539 1099114935 /nfs/dbraw/zinc/11/49/35/1099114935.db2.gz BXXJYIPEIFMKDT-UHFFFAOYSA-N -1 1 364.376 4.060 20 0 FIADMM CCc1c(NC(=O)c2ccc(OC)cc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436593032 1099125667 /nfs/dbraw/zinc/12/56/67/1099125667.db2.gz BSNAOARDJBWCEB-UHFFFAOYSA-N -1 1 371.824 4.055 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436580285 1099130616 /nfs/dbraw/zinc/13/06/16/1099130616.db2.gz BRDJHKGDNJDHNW-OAHLLOKOSA-N -1 1 359.788 4.038 20 0 FIADMM COCCc1nc2cc(NC(=O)c3cc4ccccc4cc3[O-])ccc2o1 ZINC000436585407 1099133783 /nfs/dbraw/zinc/13/37/83/1099133783.db2.gz QAHHTGSVLGEFBD-UHFFFAOYSA-N -1 1 362.385 4.128 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000436586127 1099135668 /nfs/dbraw/zinc/13/56/68/1099135668.db2.gz UYVBLXZRDOCPPH-QHCPKHFHSA-N -1 1 359.425 4.207 20 0 FIADMM CCOC(=O)C1CCC(N(CC)C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436609544 1099143390 /nfs/dbraw/zinc/14/33/90/1099143390.db2.gz RXNYVHQLDLOIRX-UHFFFAOYSA-N -1 1 369.461 4.129 20 0 FIADMM COc1cc(Cl)ccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000475974346 1099167501 /nfs/dbraw/zinc/16/75/01/1099167501.db2.gz GORKSTDPGZTRIK-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436660685 1099208914 /nfs/dbraw/zinc/20/89/14/1099208914.db2.gz ARKDMTYQPZIORR-KRWDZBQOSA-N -1 1 371.305 4.261 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000436685680 1099219255 /nfs/dbraw/zinc/21/92/55/1099219255.db2.gz MFIOTSKUNCWJCO-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC=C(c2ccccc2)C1 ZINC000436727169 1099241067 /nfs/dbraw/zinc/24/10/67/1099241067.db2.gz XZJILCCFCUVQBW-UHFFFAOYSA-N -1 1 358.235 4.084 20 0 FIADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436740778 1099260368 /nfs/dbraw/zinc/26/03/68/1099260368.db2.gz RUTYDAZAYKALOZ-CYBMUJFWSA-N -1 1 351.855 4.265 20 0 FIADMM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750252 1099285205 /nfs/dbraw/zinc/28/52/05/1099285205.db2.gz FMZFRZGJQQCDIQ-UHFFFAOYSA-N -1 1 353.340 4.082 20 0 FIADMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751173 1099285526 /nfs/dbraw/zinc/28/55/26/1099285526.db2.gz JQILERCHERZMMZ-GFCCVEGCSA-N -1 1 367.367 4.123 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000436751514 1099287136 /nfs/dbraw/zinc/28/71/36/1099287136.db2.gz LVWFIYLSNXWRLD-CYBMUJFWSA-N -1 1 367.342 4.255 20 0 FIADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753986 1099287772 /nfs/dbraw/zinc/28/77/72/1099287772.db2.gz WZGPGLSRYCCBEY-OAHLLOKOSA-N -1 1 352.356 4.117 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCc2sccc2[C@@H]1c1cccs1 ZINC000436754542 1099290492 /nfs/dbraw/zinc/29/04/92/1099290492.db2.gz ZIDADQSAJZTRKN-QGZVFWFLSA-N -1 1 359.447 4.442 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H]3C=CCC3)n2)cc(Br)c1[O-] ZINC000436766618 1099308747 /nfs/dbraw/zinc/30/87/47/1099308747.db2.gz DRZJQRDFZKGKRG-SNVBAGLBSA-N -1 1 365.227 4.112 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000436768698 1099310625 /nfs/dbraw/zinc/31/06/25/1099310625.db2.gz XSAPFMHCMNUUBZ-HNNXBMFYSA-N -1 1 374.278 4.250 20 0 FIADMM CC(C)(C)CCCC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424566 1099327050 /nfs/dbraw/zinc/32/70/50/1099327050.db2.gz IDYRHZSESFJPOT-UHFFFAOYSA-N -1 1 350.532 4.198 20 0 FIADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(Br)ccc1[O-] ZINC000436808336 1099336659 /nfs/dbraw/zinc/33/66/59/1099336659.db2.gz OPIRKVNYHUJNSK-MRVPVSSYSA-N -1 1 354.166 4.006 20 0 FIADMM COc1ccc(OC)c([C@H]2C[C@@H]2c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436870771 1099381901 /nfs/dbraw/zinc/38/19/01/1099381901.db2.gz IJSANBCQCQDBJV-HIFRSBDPSA-N -1 1 372.808 4.384 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3Br)n2)c(F)c1 ZINC000436870439 1099383060 /nfs/dbraw/zinc/38/30/60/1099383060.db2.gz FDXYBBAZVIJJFP-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM COc1cc(-c2noc([C@H]3C[C@@]3(C)C(C)C)n2)cc(Br)c1[O-] ZINC000436874433 1099388240 /nfs/dbraw/zinc/38/82/40/1099388240.db2.gz QJQHOIGNNZVVHN-HWPZZCPQSA-N -1 1 367.243 4.363 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(Br)cn1 ZINC000436905167 1099412386 /nfs/dbraw/zinc/41/23/86/1099412386.db2.gz ZOEHKQBZQKIOMA-LLVKDONJSA-N -1 1 371.234 4.194 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(Br)cn1 ZINC000436905168 1099413282 /nfs/dbraw/zinc/41/32/82/1099413282.db2.gz ZOEHKQBZQKIOMA-NSHDSACASA-N -1 1 371.234 4.194 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000436899349 1099424836 /nfs/dbraw/zinc/42/48/36/1099424836.db2.gz CPBUICRCMSPDJK-SIJIIQCFSA-N -1 1 372.262 4.473 20 0 FIADMM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436951394 1099444052 /nfs/dbraw/zinc/44/40/52/1099444052.db2.gz RQJWJVNGBRHKIE-NRFANRHFSA-N -1 1 359.425 4.065 20 0 FIADMM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436942671 1099454661 /nfs/dbraw/zinc/45/46/61/1099454661.db2.gz WPNKNJXUKYTXAK-SNVBAGLBSA-N -1 1 364.228 4.028 20 0 FIADMM C[C@H](CNC(=O)c1ccccc1)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436947613 1099460256 /nfs/dbraw/zinc/46/02/56/1099460256.db2.gz RJRRIQDWTOUECJ-CQSZACIVSA-N -1 1 373.412 4.129 20 0 FIADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436967219 1099464231 /nfs/dbraw/zinc/46/42/31/1099464231.db2.gz OVEYFRMVSWISIV-HXUWFJFHSA-N -1 1 357.413 4.130 20 0 FIADMM [O-]c1c(-c2nc(-c3cccnc3OCC(F)F)no2)ccc2ccccc21 ZINC000436966568 1099466461 /nfs/dbraw/zinc/46/64/61/1099466461.db2.gz VUAFONMPPTTXTC-UHFFFAOYSA-N -1 1 369.327 4.301 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3CCN(c4ccccc4Cl)C3)n2)cc1F ZINC000436957664 1099475938 /nfs/dbraw/zinc/47/59/38/1099475938.db2.gz ZPPYBYUQVRDISE-LBPRGKRZSA-N -1 1 359.788 4.229 20 0 FIADMM COC[C@@H](C)n1c2ccccc2nc1-c1ccc([O-])c(Br)c1 ZINC000436981145 1099486459 /nfs/dbraw/zinc/48/64/59/1099486459.db2.gz PVXVLHCBLGHZHB-LLVKDONJSA-N -1 1 361.239 4.379 20 0 FIADMM CCCOc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c(C)c1 ZINC000436983197 1099488277 /nfs/dbraw/zinc/48/82/77/1099488277.db2.gz JKOYTTADSWFXSP-UHFFFAOYSA-N -1 1 363.841 4.081 20 0 FIADMM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC(OCC2CC2)CC1 ZINC000516481966 1099527128 /nfs/dbraw/zinc/52/71/28/1099527128.db2.gz WQQQRTGCWLKXHN-INIZCTEOSA-N -1 1 358.265 4.010 20 0 FIADMM CCc1cc2c(COC(=O)c3cccc(C(F)F)c3)cc(=O)oc2cc1[O-] ZINC000729746939 1099549150 /nfs/dbraw/zinc/54/91/50/1099549150.db2.gz JBQPTADGOYJBEM-UHFFFAOYSA-N -1 1 374.339 4.356 20 0 FIADMM Cc1cc(Br)c(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263098100 1099762690 /nfs/dbraw/zinc/76/26/90/1099762690.db2.gz VZPBZPYQXIUFRX-WDEREUQCSA-N -1 1 360.679 4.096 20 0 FIADMM O=C(CCCC1CCCC1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000080061717 1099924327 /nfs/dbraw/zinc/92/43/27/1099924327.db2.gz DNCJXMSWRDVJFV-UHFFFAOYSA-N -1 1 362.543 4.342 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1-c1ccc(F)cc1F ZINC000517214827 1100173632 /nfs/dbraw/zinc/17/36/32/1100173632.db2.gz KGJHKNPVZOVNOZ-UHFFFAOYSA-N -1 1 372.306 4.021 20 0 FIADMM O=C([O-])c1cc(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cs1 ZINC000517575768 1100495898 /nfs/dbraw/zinc/49/58/98/1100495898.db2.gz KRGKLHBCDPZOBY-GFCCVEGCSA-N -1 1 372.273 4.406 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc(C)c1F ZINC000438764038 1100903428 /nfs/dbraw/zinc/90/34/28/1100903428.db2.gz IWWVGMZZCQDZPZ-UHFFFAOYSA-N -1 1 361.442 4.174 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000438793049 1100921909 /nfs/dbraw/zinc/92/19/09/1100921909.db2.gz FTFBCTGTRYVGLS-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(F)c(Br)c1 ZINC000438793569 1100922831 /nfs/dbraw/zinc/92/28/31/1100922831.db2.gz LALAAHGLTHYMEJ-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000438794418 1100923968 /nfs/dbraw/zinc/92/39/68/1100923968.db2.gz VIPJLKMUQIHYPU-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1Br ZINC000438806935 1100930836 /nfs/dbraw/zinc/93/08/36/1100930836.db2.gz GALYACBCLOAPRB-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cccs2)c1)c1ccc(F)c(F)c1 ZINC000509578420 1100970890 /nfs/dbraw/zinc/97/08/90/1100970890.db2.gz QPFXWJAAVCDKPP-UHFFFAOYSA-N -1 1 351.399 4.494 20 0 FIADMM CC[C@@H](C)CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506469014 1101099485 /nfs/dbraw/zinc/09/94/85/1101099485.db2.gz ZTVOBACKUGYSGJ-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM Cc1ccc(C)c(C=C([O-])Nc2nc(-c3ccccc3Cl)ns2)c1 ZINC000518368165 1101129577 /nfs/dbraw/zinc/12/95/77/1101129577.db2.gz ILLMBCGEODIGKJ-UHFFFAOYSA-N -1 1 357.866 4.078 20 0 FIADMM O=C([O-])c1ccc(-c2nc(CN3CCS[C@H]4CCCC[C@@H]43)cs2)cc1 ZINC000518386213 1101138296 /nfs/dbraw/zinc/13/82/96/1101138296.db2.gz GORFRVVOCQZSKQ-IRXDYDNUSA-N -1 1 374.531 4.368 20 0 FIADMM [O-]C(=Cc1cccc(Cl)c1)Nc1nc(-c2ccccc2Cl)ns1 ZINC000518368551 1101139127 /nfs/dbraw/zinc/13/91/27/1101139127.db2.gz RBURMZXTURXNNE-UHFFFAOYSA-N -1 1 364.257 4.115 20 0 FIADMM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000439383527 1101392983 /nfs/dbraw/zinc/39/29/83/1101392983.db2.gz XJLADNQFPWBSJK-UHFFFAOYSA-N -1 1 374.440 4.246 20 0 FIADMM CC(C)C(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000439412172 1101429073 /nfs/dbraw/zinc/42/90/73/1101429073.db2.gz PSXBBEPHGUPNSC-UHFFFAOYSA-N -1 1 360.479 4.108 20 0 FIADMM C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(-c2cccnc2)cc1 ZINC000176658466 1101471335 /nfs/dbraw/zinc/47/13/35/1101471335.db2.gz BEZULSAOZURJSP-OAHLLOKOSA-N -1 1 369.424 4.081 20 0 FIADMM O=C(CCc1cccc(Cl)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315786 1101637012 /nfs/dbraw/zinc/63/70/12/1101637012.db2.gz MDJKJNXEGCTNMM-UHFFFAOYSA-N -1 1 371.864 4.100 20 0 FIADMM COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc(Cl)c1[O-] ZINC000460196988 1101699161 /nfs/dbraw/zinc/69/91/61/1101699161.db2.gz XWSRUYJJMJEVCC-QGZVFWFLSA-N -1 1 363.816 4.465 20 0 FIADMM COc1cc(C(=O)Nc2nc3c(s2)CCCCCC3)cc(Cl)c1[O-] ZINC000460200853 1101701862 /nfs/dbraw/zinc/70/18/62/1101701862.db2.gz FWVQNLGCAJEPKZ-UHFFFAOYSA-N -1 1 366.870 4.422 20 0 FIADMM COc1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000460217008 1101721567 /nfs/dbraw/zinc/72/15/67/1101721567.db2.gz WXFPITDEDBSSKW-UHFFFAOYSA-N -1 1 363.694 4.464 20 0 FIADMM Cc1nc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)[n-]c(=O)c1C ZINC000537416441 1101763114 /nfs/dbraw/zinc/76/31/14/1101763114.db2.gz YZXZXGIDXGHINK-KRWDZBQOSA-N -1 1 365.458 4.271 20 0 FIADMM CCC(C)(C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000102635786 1101895391 /nfs/dbraw/zinc/89/53/91/1101895391.db2.gz YHXYWSCAJLSTST-UHFFFAOYSA-N -1 1 360.479 4.171 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2csc3ccc(Cl)cc23)[nH]nc1C1CC1 ZINC000760322092 1101909600 /nfs/dbraw/zinc/90/96/00/1101909600.db2.gz VGOGMFUOLDWTMX-UHFFFAOYSA-N -1 1 367.883 4.264 20 0 FIADMM CC[C@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)C ZINC000519105475 1101933982 /nfs/dbraw/zinc/93/39/82/1101933982.db2.gz RPBANSYHCFIWQR-MRXNPFEDSA-N -1 1 374.506 4.498 20 0 FIADMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2s1 ZINC000519119840 1101944874 /nfs/dbraw/zinc/94/48/74/1101944874.db2.gz ORTSZPWSWYASPR-UHFFFAOYSA-N -1 1 374.487 4.155 20 0 FIADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263204286 1102001986 /nfs/dbraw/zinc/00/19/86/1102001986.db2.gz XVWKQLFPVCGVIB-KRWDZBQOSA-N -1 1 374.525 4.449 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000263379631 1102102932 /nfs/dbraw/zinc/10/29/32/1102102932.db2.gz BJASUPJHUCSNKL-SECBINFHSA-N -1 1 357.262 4.023 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000475837477 1102144986 /nfs/dbraw/zinc/14/49/86/1102144986.db2.gz WUWPTWHHOVPKLU-UHFFFAOYSA-N -1 1 373.808 4.320 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440278955 1102165514 /nfs/dbraw/zinc/16/55/14/1102165514.db2.gz RVGILASTJRCYHE-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM CC(C)(C)OC(=O)N=c1[nH]c(CNCc2cccc([O-])c2Cl)cs1 ZINC000898104104 1102176688 /nfs/dbraw/zinc/17/66/88/1102176688.db2.gz YXPJWOZGFREJKC-UHFFFAOYSA-N -1 1 369.874 4.139 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3csc4ccccc34)c2C)o1 ZINC000506816425 1102185476 /nfs/dbraw/zinc/18/54/76/1102185476.db2.gz QFPZDZUBUCSRHZ-UHFFFAOYSA-N -1 1 373.459 4.302 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c(Cl)cccc1Cl ZINC000105389933 1102203987 /nfs/dbraw/zinc/20/39/87/1102203987.db2.gz JLJBUBPWYIPUAP-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Cl ZINC000105591505 1102216985 /nfs/dbraw/zinc/21/69/85/1102216985.db2.gz HXQBBSQBDNJLHA-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000426643264 1102229630 /nfs/dbraw/zinc/22/96/30/1102229630.db2.gz NXMPUWAUQHUKJI-CQSZACIVSA-N -1 1 351.233 4.380 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000035685408 1102264074 /nfs/dbraw/zinc/26/40/74/1102264074.db2.gz ZDGMNUNNOAGBKR-UHFFFAOYSA-N -1 1 357.431 4.048 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)c2)o1 ZINC000519516613 1102274426 /nfs/dbraw/zinc/27/44/26/1102274426.db2.gz UBVKMKDPEYHXPZ-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C([O-])c1ccccc1C1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000666586214 1102313452 /nfs/dbraw/zinc/31/34/52/1102313452.db2.gz ONZOINQAUDVMFN-UHFFFAOYSA-N -1 1 371.864 4.353 20 0 FIADMM CCCc1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)s1 ZINC000059239794 1102343116 /nfs/dbraw/zinc/34/31/16/1102343116.db2.gz NSWLILASTBKBQE-UHFFFAOYSA-N -1 1 362.842 4.360 20 0 FIADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1cnc(-c2ccccn2)s1 ZINC000109109520 1102489720 /nfs/dbraw/zinc/48/97/20/1102489720.db2.gz IFLRWTBOXCXWSH-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM COc1cc(CN(C)C(=O)c2ccc(Cl)cc2[O-])ccc1SC ZINC000121938993 1102490438 /nfs/dbraw/zinc/49/04/38/1102490438.db2.gz FEWDWQPAKDPMMN-UHFFFAOYSA-N -1 1 351.855 4.048 20 0 FIADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000121976945 1102504743 /nfs/dbraw/zinc/50/47/43/1102504743.db2.gz ASDRVZYQIOXLDZ-UHFFFAOYSA-N -1 1 365.458 4.144 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1 ZINC000122192275 1102543094 /nfs/dbraw/zinc/54/30/94/1102543094.db2.gz PRZXJCIRHICNSE-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cc(Cl)ccc1F ZINC000551015142 1102798092 /nfs/dbraw/zinc/79/80/92/1102798092.db2.gz OKESLNOVLVJPSX-UHFFFAOYSA-N -1 1 372.824 4.019 20 0 FIADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1-c1ccccn1 ZINC000132429647 1102910840 /nfs/dbraw/zinc/91/08/40/1102910840.db2.gz YMZCQXCLZZSICP-UHFFFAOYSA-N -1 1 354.793 4.369 20 0 FIADMM O=C(Nc1ccc(CNc2ccccc2)cc1)c1csc(=NC2CC2)[n-]1 ZINC000426681268 1102917038 /nfs/dbraw/zinc/91/70/38/1102917038.db2.gz WPDIGVKAQCWQPV-UHFFFAOYSA-N -1 1 364.474 4.004 20 0 FIADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c(Br)c1 ZINC000426688449 1102933989 /nfs/dbraw/zinc/93/39/89/1102933989.db2.gz VPQVWFWIXUXHGH-AWEZNQCLSA-N -1 1 354.269 4.125 20 0 FIADMM CCOc1cc(-c2noc([C@H](OC)C3CCCC3)n2)cc(Cl)c1[O-] ZINC000664847057 1102936331 /nfs/dbraw/zinc/93/63/31/1102936331.db2.gz VAMCXFKAFCIPTO-OAHLLOKOSA-N -1 1 352.818 4.372 20 0 FIADMM O=C([O-])c1coc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000426716310 1102938775 /nfs/dbraw/zinc/93/87/75/1102938775.db2.gz VDOSTINLOAWEKU-UHFFFAOYSA-N -1 1 373.412 4.120 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000476919271 1102952253 /nfs/dbraw/zinc/95/22/53/1102952253.db2.gz YYUZOTIXQYSJEL-UHFFFAOYSA-N -1 1 355.463 4.175 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)ccc1Br)c1ccccc1 ZINC000426757205 1102971659 /nfs/dbraw/zinc/97/16/59/1102971659.db2.gz CDXDRWBNHAEUJM-ZBEGNZNMSA-N -1 1 366.230 4.140 20 0 FIADMM COc1cc(Cl)c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000426783861 1102983519 /nfs/dbraw/zinc/98/35/19/1102983519.db2.gz KSZCUTGWPPGAGC-HNNXBMFYSA-N -1 1 358.196 4.057 20 0 FIADMM CCCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccsc2)cc1OC ZINC000426785770 1102984748 /nfs/dbraw/zinc/98/47/48/1102984748.db2.gz YXXYWXXYHVJQOK-HNNXBMFYSA-N -1 1 369.870 4.114 20 0 FIADMM COc1ccccc1[C@H](NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000426784896 1102984794 /nfs/dbraw/zinc/98/47/94/1102984794.db2.gz NUUNVHZTUIMCLE-HNNXBMFYSA-N -1 1 373.758 4.283 20 0 FIADMM CCc1ccc([C@@H](NCc2ccc(F)cc2Br)C(=O)[O-])cc1 ZINC000426797354 1102996974 /nfs/dbraw/zinc/99/69/74/1102996974.db2.gz AXCLARWYPLIOSA-MRXNPFEDSA-N -1 1 366.230 4.066 20 0 FIADMM Cc1nn(-c2ccccc2)cc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426804713 1103001816 /nfs/dbraw/zinc/00/18/16/1103001816.db2.gz VYIVQZZRUMXPLP-LJQANCHMSA-N -1 1 369.852 4.058 20 0 FIADMM Cc1nn(-c2ccccc2)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426804712 1103002643 /nfs/dbraw/zinc/00/26/43/1103002643.db2.gz VYIVQZZRUMXPLP-IBGZPJMESA-N -1 1 369.852 4.058 20 0 FIADMM O=C([O-])C[C@@H](NCc1csc(Br)c1)c1cccc(Cl)c1 ZINC000426816014 1103009675 /nfs/dbraw/zinc/00/96/75/1103009675.db2.gz ILLWGXTVGNROHS-GFCCVEGCSA-N -1 1 374.687 4.470 20 0 FIADMM CCN(C(=O)c1ncccc1[O-])[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000426820501 1103015779 /nfs/dbraw/zinc/01/57/79/1103015779.db2.gz ZIGYNGLFHYAINI-IBGZPJMESA-N -1 1 367.836 4.087 20 0 FIADMM Cc1nn(-c2ccccc2)cc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426824108 1103021794 /nfs/dbraw/zinc/02/17/94/1103021794.db2.gz GLXTUZJSVMWQQZ-LJQANCHMSA-N -1 1 369.852 4.140 20 0 FIADMM COc1ccc([C@H](NCc2cccc(Cl)c2Cl)C(=O)[O-])cc1F ZINC000426826606 1103025536 /nfs/dbraw/zinc/02/55/36/1103025536.db2.gz TYFFMFSJNKSUOB-HNNXBMFYSA-N -1 1 358.196 4.057 20 0 FIADMM CCN(C(=O)c1ncccc1[O-])[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000426829199 1103026524 /nfs/dbraw/zinc/02/65/24/1103026524.db2.gz OBFZZYQGXOFEFL-LJQANCHMSA-N -1 1 367.836 4.087 20 0 FIADMM COc1ccc2cc(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3F)ccc2c1 ZINC000426830424 1103042611 /nfs/dbraw/zinc/04/26/11/1103042611.db2.gz YAEOMSBCUDGZEN-FQEVSTJZSA-N -1 1 371.383 4.432 20 0 FIADMM CCc1[n-][nH]c(=NC(=O)[C@@H](C)c2ccc3ccccc3c2)c1Br ZINC000426891028 1103063923 /nfs/dbraw/zinc/06/39/23/1103063923.db2.gz VXFBEZXAZAWCJF-NSHDSACASA-N -1 1 372.266 4.052 20 0 FIADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105436 1103105152 /nfs/dbraw/zinc/10/51/52/1103105152.db2.gz DQBKBELBZOGBQE-XCRHUMRWSA-N -1 1 357.454 4.095 20 0 FIADMM C[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCN1C(=O)c1ccccc1 ZINC000477107818 1103130042 /nfs/dbraw/zinc/13/00/42/1103130042.db2.gz HWTFDWFSLYCIAT-HXUWFJFHSA-N -1 1 372.852 4.069 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCSc2ccccc21 ZINC000477118613 1103143046 /nfs/dbraw/zinc/14/30/46/1103143046.db2.gz BBNSCJZZYYIYGQ-OAHLLOKOSA-N -1 1 351.431 4.000 20 0 FIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1Cl ZINC000477135639 1103153003 /nfs/dbraw/zinc/15/30/03/1103153003.db2.gz PWVLCEDRZWINNZ-UHFFFAOYSA-N -1 1 355.825 4.352 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000507639987 1103559823 /nfs/dbraw/zinc/55/98/23/1103559823.db2.gz YLVDWQCOOYRFDH-UHFFFAOYSA-N -1 1 372.393 4.482 20 0 FIADMM CC(C)C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000440583568 1103809960 /nfs/dbraw/zinc/80/99/60/1103809960.db2.gz KKXLNKPWBLMUPT-QGZVFWFLSA-N -1 1 369.852 4.094 20 0 FIADMM Cn1ncc2c1nc(Oc1ccc(-c3ccccc3)cc1Cl)[n-]c2=O ZINC000537793422 1103935106 /nfs/dbraw/zinc/93/51/06/1103935106.db2.gz GJVCLWDXXRRLET-UHFFFAOYSA-N -1 1 352.781 4.182 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(-n2cccn2)cc1 ZINC000440814447 1103963825 /nfs/dbraw/zinc/96/38/25/1103963825.db2.gz YWJMYSQMJWIWAX-OAHLLOKOSA-N -1 1 357.413 4.222 20 0 FIADMM CC[N@H+](C)[C@@H](C(=O)Nc1ccc(O)c(C(F)(F)F)c1)c1ccccc1 ZINC000440988774 1104063116 /nfs/dbraw/zinc/06/31/16/1104063116.db2.gz RIFGBONMEZNHOM-MRXNPFEDSA-N -1 1 352.356 4.043 20 0 FIADMM O=C([N-]c1cc(C(F)(F)F)ccc1SCC(F)F)c1cocn1 ZINC000129495873 1104304687 /nfs/dbraw/zinc/30/46/87/1104304687.db2.gz MWQCZQSVBNWJCM-UHFFFAOYSA-N -1 1 352.284 4.303 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2Cl)n[nH]c1-c1ccccc1 ZINC000536308491 1104659829 /nfs/dbraw/zinc/65/98/29/1104659829.db2.gz IQICUAMSFYPVIY-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)cc1 ZINC000331145536 1104704221 /nfs/dbraw/zinc/70/42/21/1104704221.db2.gz IBGYOVPHVNFZNU-WMLDXEAASA-N -1 1 367.493 4.115 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2ccsc2)CC1 ZINC000188715426 1104751289 /nfs/dbraw/zinc/75/12/89/1104751289.db2.gz YKTZTEFWCYENGB-UHFFFAOYSA-N -1 1 366.280 4.236 20 0 FIADMM CC(C)=CCSC[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417620059 1105022688 /nfs/dbraw/zinc/02/26/88/1105022688.db2.gz CHHSUECYPLGCHZ-JTQLQIEISA-N -1 1 354.324 4.297 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)cc1 ZINC000520617280 1105052344 /nfs/dbraw/zinc/05/23/44/1105052344.db2.gz YHXDOGMPFCVHNL-UHFFFAOYSA-N -1 1 374.289 4.292 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000427622041 1105117603 /nfs/dbraw/zinc/11/76/03/1105117603.db2.gz GQWPFBZZECCMSW-UHFFFAOYSA-N -1 1 352.459 4.420 20 0 FIADMM CCS(=O)(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2C)ccc1OC ZINC000665195150 1105198268 /nfs/dbraw/zinc/19/82/68/1105198268.db2.gz RDFAYTKENTVBRL-UHFFFAOYSA-N -1 1 371.405 4.034 20 0 FIADMM Cc1csc([C@@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)C2CC2)n1 ZINC001126524850 1105215411 /nfs/dbraw/zinc/21/54/11/1105215411.db2.gz SRJXBTITMDISOA-ZDUSSCGKSA-N -1 1 358.360 4.089 20 0 FIADMM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000427783829 1105280723 /nfs/dbraw/zinc/28/07/23/1105280723.db2.gz ZXEOZZNUKVWHIC-IERDGZPVSA-N -1 1 358.441 4.006 20 0 FIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000508232040 1105360142 /nfs/dbraw/zinc/36/01/42/1105360142.db2.gz JSEWKPRVGJTDHH-UHFFFAOYSA-N -1 1 360.813 4.239 20 0 FIADMM Cc1ccc(Nc2nc(CN3[C@H](C)CC(C(=O)[O-])C[C@H]3C)cs2)cc1 ZINC000530173127 1106902907 /nfs/dbraw/zinc/90/29/07/1106902907.db2.gz CRROXYSMPLYWAZ-ZIAGYGMSSA-N -1 1 359.495 4.269 20 0 FIADMM Cc1nc(-c2ccc(N(C)Cc3ccc(Cl)s3)nc2)[n-]c(=O)c1C ZINC000301152867 1106948234 /nfs/dbraw/zinc/94/82/34/1106948234.db2.gz BIGPOAUBLJTKQL-UHFFFAOYSA-N -1 1 360.870 4.212 20 0 FIADMM COc1ccc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1F ZINC000301381693 1107009775 /nfs/dbraw/zinc/00/97/75/1107009775.db2.gz ZOVUXNFGFCSDRU-ZDUSSCGKSA-N -1 1 368.412 4.182 20 0 FIADMM Cc1ccc(OCCCNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301391365 1107015491 /nfs/dbraw/zinc/01/54/91/1107015491.db2.gz AXVKKBFGBOCRSP-UHFFFAOYSA-N -1 1 364.449 4.050 20 0 FIADMM CCS[C@H]1CCCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301510847 1107053972 /nfs/dbraw/zinc/05/39/72/1107053972.db2.gz APGVMEUTQFFUMR-CVEARBPZSA-N -1 1 358.511 4.337 20 0 FIADMM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)CCC2 ZINC000302036390 1107268230 /nfs/dbraw/zinc/26/82/30/1107268230.db2.gz PLVXXKORCXIOQH-OAHLLOKOSA-N -1 1 367.478 4.115 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c2cccnc12 ZINC000614739158 1107485269 /nfs/dbraw/zinc/48/52/69/1107485269.db2.gz CKDKERXXIRWSPU-UHFFFAOYSA-N -1 1 362.838 4.006 20 0 FIADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000444402431 1107545308 /nfs/dbraw/zinc/54/53/08/1107545308.db2.gz AZKPMMCIHNPECH-APPDUMDISA-N -1 1 366.244 4.301 20 0 FIADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000444402937 1107555376 /nfs/dbraw/zinc/55/53/76/1107555376.db2.gz VPGQZIFYUXTBSL-APPDUMDISA-N -1 1 366.244 4.301 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc(F)c(Cl)cc1F ZINC000152449443 1107667116 /nfs/dbraw/zinc/66/71/16/1107667116.db2.gz WZXUUYIXCDAASJ-ONEGZZNKSA-N -1 1 367.764 4.485 20 0 FIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)c1 ZINC000614801963 1107872279 /nfs/dbraw/zinc/87/22/79/1107872279.db2.gz GIJLKJRLDNRACY-OAHLLOKOSA-N -1 1 374.506 4.141 20 0 FIADMM COCc1cc(-c2nc(=O)c3c(C)c(-c4ccccc4)sc3[n-]2)no1 ZINC000487502050 1107882292 /nfs/dbraw/zinc/88/22/92/1107882292.db2.gz NLYVMDPFVDGOHO-UHFFFAOYSA-N -1 1 353.403 4.174 20 0 FIADMM COc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000531526808 1107950857 /nfs/dbraw/zinc/95/08/57/1107950857.db2.gz MRGHNAXFXYULMB-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCCC1 ZINC000523156036 1107960743 /nfs/dbraw/zinc/96/07/43/1107960743.db2.gz XISVFVZEUKNZDI-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc(Cl)c1[O-] ZINC000453030966 1108112575 /nfs/dbraw/zinc/11/25/75/1108112575.db2.gz IIJAHLAIKVMARA-IAQYHMDHSA-N -1 1 361.825 4.086 20 0 FIADMM COCc1cc(-c2nc(=O)c3c(-c4ccc(C)cc4)csc3[n-]2)no1 ZINC000487510799 1108454558 /nfs/dbraw/zinc/45/45/58/1108454558.db2.gz CHIZMJDRBQUHDB-UHFFFAOYSA-N -1 1 353.403 4.174 20 0 FIADMM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532012664 1108544861 /nfs/dbraw/zinc/54/48/61/1108544861.db2.gz HQJYWJMMUYOJPI-UHFFFAOYSA-N -1 1 365.364 4.428 20 0 FIADMM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000445275091 1108593949 /nfs/dbraw/zinc/59/39/49/1108593949.db2.gz WKLVRSDCJICDMB-LBPRGKRZSA-N -1 1 369.396 4.276 20 0 FIADMM Cc1ccc(NC(=O)Cc2noc(-c3ccc4ccccc4c3[O-])n2)c(C)c1 ZINC000445357660 1108695038 /nfs/dbraw/zinc/69/50/38/1108695038.db2.gz PZUKTFIBEBTTNK-UHFFFAOYSA-N -1 1 373.412 4.393 20 0 FIADMM COc1cc(-c2noc(/C=C3\CC[C@@H](C)C3)n2)cc(Br)c1[O-] ZINC000445392678 1108707793 /nfs/dbraw/zinc/70/77/93/1108707793.db2.gz NNEBFLYZBYOFEL-ZFZMKPAXSA-N -1 1 365.227 4.417 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(OC)cc3C)n2)cc(Cl)c1[O-] ZINC000445409915 1108720698 /nfs/dbraw/zinc/72/06/98/1108720698.db2.gz CELWTEZCJYMBSS-UHFFFAOYSA-N -1 1 360.797 4.478 20 0 FIADMM CCOc1cc(-c2noc(Cc3csc(CC)n3)n2)cc(Cl)c1[O-] ZINC000445409863 1108733153 /nfs/dbraw/zinc/73/31/53/1108733153.db2.gz BUPGUITTYBLLHX-UHFFFAOYSA-N -1 1 365.842 4.104 20 0 FIADMM CCOc1cc(-c2noc(COCc3ccccc3)n2)cc(Cl)c1[O-] ZINC000445414247 1108744160 /nfs/dbraw/zinc/74/41/60/1108744160.db2.gz XMCXDRQUPYIFQC-UHFFFAOYSA-N -1 1 360.797 4.211 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000524013936 1108749337 /nfs/dbraw/zinc/74/93/37/1108749337.db2.gz LLUHSNGVDHVHIQ-MRVPVSSYSA-N -1 1 366.216 4.311 20 0 FIADMM Cc1cnn(-c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2)c1 ZINC000445448009 1108750076 /nfs/dbraw/zinc/75/00/76/1108750076.db2.gz KBGPNAJWIJPDMU-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM Cc1nc(C(F)(F)F)ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449078 1108751559 /nfs/dbraw/zinc/75/15/59/1108751559.db2.gz NJZAPVAKSZMUIX-UHFFFAOYSA-N -1 1 355.703 4.485 20 0 FIADMM [O-]c1ccc(-c2noc(CCCOCCc3ccccc3)n2)c(Cl)c1 ZINC000445450702 1108751686 /nfs/dbraw/zinc/75/16/86/1108751686.db2.gz VILBJAXOSBHTOH-UHFFFAOYSA-N -1 1 358.825 4.288 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(-n4ccnc4)cc3)n2)c(Cl)c1 ZINC000445450694 1108753556 /nfs/dbraw/zinc/75/35/56/1108753556.db2.gz VEDRTQUGPAONNE-FPYGCLRLSA-N -1 1 364.792 4.452 20 0 FIADMM COc1cc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)cc(OC)c1 ZINC000445451053 1108755018 /nfs/dbraw/zinc/75/50/18/1108755018.db2.gz ZXXIKRJCUDUXMU-ZZXKWVIFSA-N -1 1 358.781 4.283 20 0 FIADMM COc1ccc(Cl)cc1NCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445451871 1108755084 /nfs/dbraw/zinc/75/50/84/1108755084.db2.gz LLTHRWMMWGSFOP-UHFFFAOYSA-N -1 1 366.204 4.370 20 0 FIADMM COC(=O)c1c[n-]c(SCc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000193538658 1108776851 /nfs/dbraw/zinc/77/68/51/1108776851.db2.gz KAAIRBBTMGJPCJ-UHFFFAOYSA-N -1 1 365.867 4.266 20 0 FIADMM Cc1noc2nc(C(C)C)cc(-c3nc(-c4ccc([O-])cc4F)no3)c12 ZINC000445455532 1108789078 /nfs/dbraw/zinc/78/90/78/1108789078.db2.gz DTNFRUPCGCNFRN-UHFFFAOYSA-N -1 1 354.341 4.216 20 0 FIADMM [O-]c1ccc(-c2noc(C[C@@H](c3ccccc3)C(F)(F)F)n2)c(F)c1 ZINC000445456390 1108789534 /nfs/dbraw/zinc/78/95/34/1108789534.db2.gz OCJGFYUCPLCZQM-ZDUSSCGKSA-N -1 1 352.287 4.470 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)c(F)c1 ZINC000445456646 1108790256 /nfs/dbraw/zinc/79/02/56/1108790256.db2.gz PFMFPUKHXVVPNG-UHFFFAOYSA-N -1 1 354.259 4.071 20 0 FIADMM C[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(=O)c1ccc(Cl)cc1 ZINC000445461528 1108794588 /nfs/dbraw/zinc/79/45/88/1108794588.db2.gz XUHLQXHKAYDKIS-SNVBAGLBSA-N -1 1 360.772 4.296 20 0 FIADMM [O-]c1ccc(-c2noc(CCCc3ncc(-c4ccccc4)o3)n2)cc1F ZINC000445479541 1108799972 /nfs/dbraw/zinc/79/99/72/1108799972.db2.gz WGSYGQUAYOQXPF-UHFFFAOYSA-N -1 1 365.364 4.412 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3cccc(Br)c3)n2)cc1F ZINC000445476388 1108815275 /nfs/dbraw/zinc/81/52/75/1108815275.db2.gz BVMQHRYYKNSYFM-UHFFFAOYSA-N -1 1 363.186 4.129 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc1 ZINC000524101725 1108818470 /nfs/dbraw/zinc/81/84/70/1108818470.db2.gz BFCSBROQEXWPCL-UHFFFAOYSA-N -1 1 373.396 4.299 20 0 FIADMM COc1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc(Cl)c1[O-] ZINC000546593357 1108916405 /nfs/dbraw/zinc/91/64/05/1108916405.db2.gz FCJYPXPSRAIIIX-ZDUSSCGKSA-N -1 1 367.829 4.160 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000614808520 1109102926 /nfs/dbraw/zinc/10/29/26/1109102926.db2.gz TYOIUQITWKHOFP-UHFFFAOYSA-N -1 1 374.506 4.378 20 0 FIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000524712740 1109134583 /nfs/dbraw/zinc/13/45/83/1109134583.db2.gz SBHCARLTCVBDJU-UHFFFAOYSA-N -1 1 367.426 4.188 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nc1 ZINC000446817771 1109344709 /nfs/dbraw/zinc/34/47/09/1109344709.db2.gz MZSGJOMVEDIZGW-UHFFFAOYSA-N -1 1 363.291 4.052 20 0 FIADMM O=C(CSc1nnc(-c2ccc(Cl)s2)o1)c1ccc([O-])cc1 ZINC000525518823 1109410400 /nfs/dbraw/zinc/41/04/00/1109410400.db2.gz VXZQIJYNQXFRJT-UHFFFAOYSA-N -1 1 352.824 4.132 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C)cc(Cl)c1[O-] ZINC000447074493 1109436047 /nfs/dbraw/zinc/43/60/47/1109436047.db2.gz AXNDYXOYWYCELL-CQSZACIVSA-N -1 1 361.869 4.456 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447777812 1109641045 /nfs/dbraw/zinc/64/10/45/1109641045.db2.gz NHCOHJDOSMWLIK-UHFFFAOYSA-N -1 1 367.295 4.166 20 0 FIADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447780980 1109641264 /nfs/dbraw/zinc/64/12/64/1109641264.db2.gz AXYQOQOJODPALK-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447793402 1109646062 /nfs/dbraw/zinc/64/60/62/1109646062.db2.gz FVHPBJCZQDGEME-UHFFFAOYSA-N -1 1 359.369 4.180 20 0 FIADMM COc1cc(-c2nc(-c3cnc4ccccc4c3)no2)cc(Cl)c1[O-] ZINC000526949403 1109648252 /nfs/dbraw/zinc/64/82/52/1109648252.db2.gz JDGFTNOQSAPRJI-UHFFFAOYSA-N -1 1 353.765 4.319 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@@]3(C)Br)n2)cc(Cl)c1[O-] ZINC000528170393 1109931011 /nfs/dbraw/zinc/93/10/11/1109931011.db2.gz ZMAYRTCLBRRBRB-RMLUDKJBSA-N -1 1 373.634 4.135 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1c(Cl)cccc1Cl ZINC000528499611 1110007552 /nfs/dbraw/zinc/00/75/52/1110007552.db2.gz PHHGPBRDZMFINO-OAHLLOKOSA-N -1 1 371.289 4.208 20 0 FIADMM CC(C)CCn1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)nn1 ZINC000529538619 1110284229 /nfs/dbraw/zinc/28/42/29/1110284229.db2.gz HJFTYGCVRFIZGC-UHFFFAOYSA-N -1 1 358.829 4.089 20 0 FIADMM CC(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000529539064 1110284352 /nfs/dbraw/zinc/28/43/52/1110284352.db2.gz OPHYIKADEPWTFZ-UHFFFAOYSA-N -1 1 374.868 4.032 20 0 FIADMM Cc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539835 1110284583 /nfs/dbraw/zinc/28/45/83/1110284583.db2.gz ACENDBOAYPSILB-UHFFFAOYSA-N -1 1 357.841 4.120 20 0 FIADMM Cn1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c(C2CCC2)n1 ZINC000529538519 1110286520 /nfs/dbraw/zinc/28/65/20/1110286520.db2.gz CLCHXHIVCTURLR-UHFFFAOYSA-N -1 1 355.825 4.452 20 0 FIADMM Cc1ccc(NC(=O)CC2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478484079 1111797134 /nfs/dbraw/zinc/79/71/34/1111797134.db2.gz DSHNBMOPJVSONG-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)c1 ZINC000478707734 1111859014 /nfs/dbraw/zinc/85/90/14/1111859014.db2.gz YQSXZVRXGZIXJA-UHFFFAOYSA-N -1 1 373.453 4.150 20 0 FIADMM CCOc1cc(C(=O)Nc2nc3c(cccc3Cl)[nH]2)cc(Cl)c1[O-] ZINC000553098356 1111906436 /nfs/dbraw/zinc/90/64/36/1111906436.db2.gz HHPITJIROXOTDU-UHFFFAOYSA-N -1 1 366.204 4.226 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1Cl ZINC000479133382 1111951398 /nfs/dbraw/zinc/95/13/98/1111951398.db2.gz XAERVUKXIFQLCP-UHFFFAOYSA-N -1 1 367.883 4.047 20 0 FIADMM O=S(=O)(Cc1cccc(C(F)F)c1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000479641299 1112097151 /nfs/dbraw/zinc/09/71/51/1112097151.db2.gz GNFAJLFOJDGJPA-UHFFFAOYSA-N -1 1 366.364 4.127 20 0 FIADMM O=S(=O)(Cc1cccc(C(F)F)c1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000479641299 1112097155 /nfs/dbraw/zinc/09/71/55/1112097155.db2.gz GNFAJLFOJDGJPA-UHFFFAOYSA-N -1 1 366.364 4.127 20 0 FIADMM CCc1onc(-c2ccccc2)c1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000479793845 1112137545 /nfs/dbraw/zinc/13/75/45/1112137545.db2.gz BNUHALCYBVBXDT-UHFFFAOYSA-N -1 1 364.430 4.030 20 0 FIADMM CC[C@H](C)n1ncc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1C ZINC000480538710 1112467613 /nfs/dbraw/zinc/46/76/13/1112467613.db2.gz SMSUKNMCMPCZQI-JTQLQIEISA-N -1 1 366.259 4.191 20 0 FIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(Br)ccc1[O-] ZINC000157292573 1112952719 /nfs/dbraw/zinc/95/27/19/1112952719.db2.gz LKNHWUITXJEFIP-OAHLLOKOSA-N -1 1 363.255 4.163 20 0 FIADMM O=S(=O)([N-]c1ccc(N2CCCCC2)c2ncccc12)c1ccccc1 ZINC000481856704 1113107608 /nfs/dbraw/zinc/10/76/08/1113107608.db2.gz OZVIDMPDFLQULH-UHFFFAOYSA-N -1 1 367.474 4.026 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000482574494 1113300959 /nfs/dbraw/zinc/30/09/59/1113300959.db2.gz HMWRXOVKSJRAEH-AWEZNQCLSA-N -1 1 364.264 4.119 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccnn2C2CCCC2)c1 ZINC000482580262 1113302330 /nfs/dbraw/zinc/30/23/30/1113302330.db2.gz RXESAIFCCJOHRS-UHFFFAOYSA-N -1 1 364.243 4.027 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cncc3ccccc32)c1 ZINC000482602214 1113309571 /nfs/dbraw/zinc/30/95/71/1113309571.db2.gz JYOUPZFZMLHVMN-UHFFFAOYSA-N -1 1 357.207 4.264 20 0 FIADMM CC[C@@H](C(=O)Nc1cc(C)cc(Br)c1[O-])c1c(C)noc1C ZINC000482627322 1113313811 /nfs/dbraw/zinc/31/38/11/1113313811.db2.gz CXVCIACOKSRVSF-LLVKDONJSA-N -1 1 367.243 4.200 20 0 FIADMM CCc1c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cnn1C(CC)CC ZINC000482739783 1113346951 /nfs/dbraw/zinc/34/69/51/1113346951.db2.gz GDCYVSVPVISPID-UHFFFAOYSA-N -1 1 373.501 4.160 20 0 FIADMM C[C@H]1CCC[C@H](C)N1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486215177 1113528874 /nfs/dbraw/zinc/52/88/74/1113528874.db2.gz ASNVPXWMXGTKOL-QWRGUYRKSA-N -1 1 363.255 4.106 20 0 FIADMM Cc1cnn(-c2ccc(C)cc2NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486970777 1113685996 /nfs/dbraw/zinc/68/59/96/1113685996.db2.gz SCDCYPNRSKZPBA-UHFFFAOYSA-N -1 1 356.813 4.492 20 0 FIADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cccc([O-])c1Br ZINC000908706463 1113686848 /nfs/dbraw/zinc/68/68/48/1113686848.db2.gz BRCYCEQVLFDKSD-BXUZGUMPSA-N -1 1 360.198 4.309 20 0 FIADMM O=S(=O)([N-]Cc1ccsc1)c1c(Cl)cc(Cl)cc1Cl ZINC000615217736 1113899403 /nfs/dbraw/zinc/89/94/03/1113899403.db2.gz WTFUQBRDKBHXBN-UHFFFAOYSA-N -1 1 356.683 4.187 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)ccc1C ZINC000488278039 1113901170 /nfs/dbraw/zinc/90/11/70/1113901170.db2.gz HTUBBPOGOWVNPK-UHFFFAOYSA-N -1 1 352.459 4.420 20 0 FIADMM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000490830198 1114336281 /nfs/dbraw/zinc/33/62/81/1114336281.db2.gz UMGVFGPZRODCFG-NSHDSACASA-N -1 1 359.294 4.136 20 0 FIADMM Cc1ccc(C)c(NC(=S)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000055033221 1114412002 /nfs/dbraw/zinc/41/20/02/1114412002.db2.gz UBGADFXCEGFQEB-UHFFFAOYSA-N -1 1 368.502 4.301 20 0 FIADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1c(F)ccc([O-])c1F ZINC000571750204 1114502718 /nfs/dbraw/zinc/50/27/18/1114502718.db2.gz KWAFGDIOXOYYGH-JOYOIKCWSA-N -1 1 358.171 4.263 20 0 FIADMM CCOc1cc(C(=O)NCCCc2ccc(C)cc2C)cc(Cl)c1[O-] ZINC000588213642 1114555762 /nfs/dbraw/zinc/55/57/62/1114555762.db2.gz JWRMADRSDGFJAC-UHFFFAOYSA-N -1 1 361.869 4.424 20 0 FIADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c(F)c1 ZINC000588623616 1114582864 /nfs/dbraw/zinc/58/28/64/1114582864.db2.gz HIURRUHGIPTLOM-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1ccc2c(c1)COC2 ZINC000589938470 1114861637 /nfs/dbraw/zinc/86/16/37/1114861637.db2.gz YULNSPYQAXOCAR-UHFFFAOYSA-N -1 1 365.410 4.417 20 0 FIADMM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000589937922 1114865249 /nfs/dbraw/zinc/86/52/49/1114865249.db2.gz LVPYXBNQAWZGCO-UHFFFAOYSA-N -1 1 365.454 4.493 20 0 FIADMM CC(C)CC(CC(C)C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590959471 1114996785 /nfs/dbraw/zinc/99/67/85/1114996785.db2.gz VXJWLKSIVSNGNR-UHFFFAOYSA-N -1 1 374.525 4.457 20 0 FIADMM O=C([N-]NC(=S)Nc1ccccc1Cl)c1c(Cl)cccc1Cl ZINC000057970946 1115050292 /nfs/dbraw/zinc/05/02/92/1115050292.db2.gz KQOKIWSFNGTESE-UHFFFAOYSA-N -1 1 374.680 4.278 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2cccc(F)c2F)CC1 ZINC000573504919 1115133406 /nfs/dbraw/zinc/13/34/06/1115133406.db2.gz DWTFWWOMBXBCIE-UHFFFAOYSA-N -1 1 351.780 4.344 20 0 FIADMM S=c1[n-]nc(CCC2CCCC2)n1CN1CCO[C@H](c2ccccc2)C1 ZINC000058205438 1115138760 /nfs/dbraw/zinc/13/87/60/1115138760.db2.gz CEQNFPAHLSSHEE-SFHVURJKSA-N -1 1 372.538 4.094 20 0 FIADMM O=C([O-])c1ccc(CN2CCC[C@H](Oc3ccccc3Cl)C2)s1 ZINC000573807728 1115183606 /nfs/dbraw/zinc/18/36/06/1115183606.db2.gz AGBFNYHPIKIBEH-LBPRGKRZSA-N -1 1 351.855 4.143 20 0 FIADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2nc3c(s2)CCCC3)cc1 ZINC000669471825 1115286157 /nfs/dbraw/zinc/28/61/57/1115286157.db2.gz KZJHXZXVAWCXCD-QGZVFWFLSA-N -1 1 358.507 4.451 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(Cl)ccc1OCC1CC1)c1cccs1 ZINC000669472624 1115292512 /nfs/dbraw/zinc/29/25/12/1115292512.db2.gz FPWJPNSWVUCKGS-OAHLLOKOSA-N -1 1 365.882 4.496 20 0 FIADMM CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000593542441 1115333102 /nfs/dbraw/zinc/33/31/02/1115333102.db2.gz UBLWTGPIPJRTAO-SFHVURJKSA-N -1 1 351.830 4.052 20 0 FIADMM CCSCC[C@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000593740348 1115341509 /nfs/dbraw/zinc/34/15/09/1115341509.db2.gz VDQHSRCWRBPFQZ-NSHDSACASA-N -1 1 360.317 4.111 20 0 FIADMM CC(C)(C)OC(=O)CCC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000598146323 1115708458 /nfs/dbraw/zinc/70/84/58/1115708458.db2.gz VNGVBJULLQQKEZ-UHFFFAOYSA-N -1 1 367.873 4.020 20 0 FIADMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000598205417 1115714256 /nfs/dbraw/zinc/71/42/56/1115714256.db2.gz LHVDUKRMIIOBRC-HNNXBMFYSA-N -1 1 371.408 4.007 20 0 FIADMM CCCC[C@H]1CCC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000171207114 1115853161 /nfs/dbraw/zinc/85/31/61/1115853161.db2.gz VVIFXNCHVJQFSM-STQMWFEESA-N -1 1 364.540 4.144 20 0 FIADMM CCSCc1ccnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000761365711 1115857424 /nfs/dbraw/zinc/85/74/24/1115857424.db2.gz LKLPBETVQPORBL-CSKARUKUSA-N -1 1 368.911 4.401 20 0 FIADMM O=C(COc1ccc(Oc2ccccc2)cc1)Nc1c([O-])cccc1F ZINC000605434770 1115895445 /nfs/dbraw/zinc/89/54/45/1115895445.db2.gz CBYGWVKSRNNADL-UHFFFAOYSA-N -1 1 353.349 4.341 20 0 FIADMM O=C(Nc1ccc(C(=O)Nc2c([O-])cccc2F)cc1)c1ccccc1 ZINC000605440573 1115895628 /nfs/dbraw/zinc/89/56/28/1115895628.db2.gz VUPUFNRMQFTVDV-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1cccc(Cl)c1 ZINC000062294169 1115910701 /nfs/dbraw/zinc/91/07/01/1115910701.db2.gz GVPOJSKRXDDXBF-LBPRGKRZSA-N -1 1 367.854 4.020 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccc2ncccc2c1 ZINC000607611372 1116049099 /nfs/dbraw/zinc/04/90/99/1116049099.db2.gz XPCVQOMSYDDPIV-UHFFFAOYSA-N -1 1 367.455 4.159 20 0 FIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc4ncccc4c3)ccc2o1 ZINC000607613204 1116049340 /nfs/dbraw/zinc/04/93/40/1116049340.db2.gz KQBAIPJCHJRGTG-UHFFFAOYSA-N -1 1 367.430 4.300 20 0 FIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc(F)c(Cl)c1 ZINC000607615895 1116049387 /nfs/dbraw/zinc/04/93/87/1116049387.db2.gz ZBAGFNCDLBUAMX-UHFFFAOYSA-N -1 1 367.751 4.385 20 0 FIADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)(C)C ZINC000607621996 1116049629 /nfs/dbraw/zinc/04/96/29/1116049629.db2.gz CLZFOSKPPCZLKF-AWEZNQCLSA-N -1 1 360.479 4.108 20 0 FIADMM C[C@H]1C[C@@H](c2ccccc2F)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000173380857 1116059510 /nfs/dbraw/zinc/05/95/10/1116059510.db2.gz ISEQSNOMGXMCJX-GUYCJALGSA-N -1 1 369.469 4.182 20 0 FIADMM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000608031893 1116079058 /nfs/dbraw/zinc/07/90/58/1116079058.db2.gz VTFAXGLLBUTVSX-FZMZJTMJSA-N -1 1 362.303 4.063 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c2cccnc2c1C ZINC000608258780 1116092049 /nfs/dbraw/zinc/09/20/49/1116092049.db2.gz PVPYJTGJBWIUQA-UHFFFAOYSA-N -1 1 364.829 4.445 20 0 FIADMM CCc1ccc(-n2nc(C(=O)Nc3c([O-])cccc3F)c3c2CCC3)cc1 ZINC000608365300 1116102379 /nfs/dbraw/zinc/10/23/79/1116102379.db2.gz GBHHQTVOZGTURT-UHFFFAOYSA-N -1 1 365.408 4.020 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000174365081 1116130929 /nfs/dbraw/zinc/13/09/29/1116130929.db2.gz AVWJYXFVYDDCGA-WBVHZDCISA-N -1 1 370.522 4.097 20 0 FIADMM C[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2[O-])cn1)c1ccccc1 ZINC000534710708 1116228117 /nfs/dbraw/zinc/22/81/17/1116228117.db2.gz QSKCFWCYNPQPQN-ZDUSSCGKSA-N -1 1 352.365 4.319 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000535025310 1116262775 /nfs/dbraw/zinc/26/27/75/1116262775.db2.gz WUMVCDXABPMAJO-UHFFFAOYSA-N -1 1 372.490 4.435 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1coc(C2CCCC2)n1 ZINC000669819246 1116323918 /nfs/dbraw/zinc/32/39/18/1116323918.db2.gz KESPLSLULMYIKC-UHFFFAOYSA-N -1 1 354.435 4.027 20 0 FIADMM Cc1nc(-c2ccc(NCCCCCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000462805608 1117787852 /nfs/dbraw/zinc/78/78/52/1117787852.db2.gz SMNWYKLMAMWYBK-UHFFFAOYSA-N -1 1 362.477 4.108 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2cnc([C@@H](C)OCC)s2)s1 ZINC000463169561 1118002803 /nfs/dbraw/zinc/00/28/03/1118002803.db2.gz KILNZJZYLKTVHV-SNVBAGLBSA-N -1 1 354.501 4.077 20 0 FIADMM Cc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[n-]c(=O)c1C ZINC000540716404 1118203907 /nfs/dbraw/zinc/20/39/07/1118203907.db2.gz OELHNNVGHRQIKY-VIFPVBQESA-N -1 1 372.277 4.225 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)ccc1OC(C)C ZINC000463784774 1118328368 /nfs/dbraw/zinc/32/83/68/1118328368.db2.gz GZNGIZNJIWQCCF-UHFFFAOYSA-N -1 1 373.833 4.076 20 0 FIADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000463919367 1118371210 /nfs/dbraw/zinc/37/12/10/1118371210.db2.gz HJODNBWTZQDEAH-HZPDHXFCSA-N -1 1 374.506 4.042 20 0 FIADMM Cc1csc([C@@H]2CCCN(C(=O)c3cc4ccccc4cc3[O-])C2)n1 ZINC000174606870 1118933826 /nfs/dbraw/zinc/93/38/26/1118933826.db2.gz ZAXFZELDUHQDQJ-MRXNPFEDSA-N -1 1 352.459 4.330 20 0 FIADMM C/C(=C/c1ccccc1)CN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000491818924 1118983419 /nfs/dbraw/zinc/98/34/19/1118983419.db2.gz PHZBUQWIHMYYDN-QINSGFPZSA-N -1 1 360.461 4.401 20 0 FIADMM CCC(=C([O-])c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000491954464 1118996564 /nfs/dbraw/zinc/99/65/64/1118996564.db2.gz IPEDNNHFOZEFLG-KRWDZBQOSA-N -1 1 350.867 4.392 20 0 FIADMM O=C(CCC1CCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000175989492 1119248521 /nfs/dbraw/zinc/24/85/21/1119248521.db2.gz WXWVIQJOWREBMH-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(OC)c1 ZINC000007057314 1119468968 /nfs/dbraw/zinc/46/89/68/1119468968.db2.gz MLNYIKOAXOWVCT-UHFFFAOYSA-N -1 1 363.479 4.047 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c1 ZINC000007109246 1119470911 /nfs/dbraw/zinc/47/09/11/1119470911.db2.gz XTENAVAGNJGTDC-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM CSc1ccccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182928724 1119563163 /nfs/dbraw/zinc/56/31/63/1119563163.db2.gz FMZDKJPTBDGWTR-UHFFFAOYSA-N -1 1 352.253 4.437 20 0 FIADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541600 1119576564 /nfs/dbraw/zinc/57/65/64/1119576564.db2.gz FZCWXUHIFVZFOL-CABCVRRESA-N -1 1 360.479 4.108 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000185333834 1119655581 /nfs/dbraw/zinc/65/55/81/1119655581.db2.gz MKXAGLGHMNFLAW-LLVKDONJSA-N -1 1 351.805 4.417 20 0 FIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000188914388 1119806083 /nfs/dbraw/zinc/80/60/83/1119806083.db2.gz VDIVGCZOGRKQGW-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000152579498 1119847958 /nfs/dbraw/zinc/84/79/58/1119847958.db2.gz CVQUGWYPRWDQCV-DOMZBBRYSA-N -1 1 360.251 4.173 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000189237986 1119870690 /nfs/dbraw/zinc/87/06/90/1119870690.db2.gz LYMVBHZCPJNTKI-UHFFFAOYSA-N -1 1 361.410 4.314 20 0 FIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1C ZINC000189249041 1119874706 /nfs/dbraw/zinc/87/47/06/1119874706.db2.gz RGZAILVMNZRZEZ-UHFFFAOYSA-N -1 1 373.396 4.218 20 0 FIADMM Cc1cc(C=O)c([O-])c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001626012924 1119902381 /nfs/dbraw/zinc/90/23/81/1119902381.db2.gz WGEDQLKKBGPDII-UHFFFAOYSA-N -1 1 364.228 4.239 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000494551717 1119908696 /nfs/dbraw/zinc/90/86/96/1119908696.db2.gz DFTXUZJBAYHLTI-UHFFFAOYSA-N -1 1 364.898 4.173 20 0 FIADMM COCCCOc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190951167 1119955353 /nfs/dbraw/zinc/95/53/53/1119955353.db2.gz COMYODNDFDRZLW-UHFFFAOYSA-N -1 1 350.802 4.105 20 0 FIADMM CC(C)CNC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190945264 1119955383 /nfs/dbraw/zinc/95/53/83/1119955383.db2.gz CVJYZJMXKYBPDB-UHFFFAOYSA-N -1 1 361.829 4.075 20 0 FIADMM COCCn1ccc2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc21 ZINC000190984910 1119957048 /nfs/dbraw/zinc/95/70/48/1119957048.db2.gz UQDAAAOCOSPLGY-UHFFFAOYSA-N -1 1 359.813 4.291 20 0 FIADMM CC(C)c1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)no1 ZINC000191850334 1119998519 /nfs/dbraw/zinc/99/85/19/1119998519.db2.gz MMWMGMZEZHYSHG-UHFFFAOYSA-N -1 1 354.391 4.315 20 0 FIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000191887639 1120000407 /nfs/dbraw/zinc/00/04/07/1120000407.db2.gz MAUHCABACYSFRR-UHFFFAOYSA-N -1 1 371.911 4.052 20 0 FIADMM CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192175030 1120036153 /nfs/dbraw/zinc/03/61/53/1120036153.db2.gz YRSIDQKITLMUHU-UHFFFAOYSA-N -1 1 361.829 4.172 20 0 FIADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1C(=O)NC(C)C ZINC000192216184 1120041854 /nfs/dbraw/zinc/04/18/54/1120041854.db2.gz KRUPVQVEQIQFPZ-UHFFFAOYSA-N -1 1 361.829 4.136 20 0 FIADMM O=c1nc([C@H]2COc3ccccc3O2)[n-]c2scc(-c3ccccc3)c21 ZINC000193239059 1120117532 /nfs/dbraw/zinc/11/75/32/1120117532.db2.gz YSGVTAFRSMCOFH-MRXNPFEDSA-N -1 1 362.410 4.164 20 0 FIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000195730751 1120224965 /nfs/dbraw/zinc/22/49/65/1120224965.db2.gz GDKZUHGOKZHZQY-UHFFFAOYSA-N -1 1 357.479 4.155 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N(CCc1ccccc1)C1CC1 ZINC000914490285 1120242191 /nfs/dbraw/zinc/24/21/91/1120242191.db2.gz ISABPFWFWYIEGL-UHFFFAOYSA-N -1 1 360.251 4.002 20 0 FIADMM Cc1cccc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c1 ZINC000761703542 1120258978 /nfs/dbraw/zinc/25/89/78/1120258978.db2.gz ZDAPGIHIZUOXKS-UHFFFAOYSA-N -1 1 368.311 4.064 20 0 FIADMM Cc1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c([O-])c1 ZINC000494833761 1120328537 /nfs/dbraw/zinc/32/85/37/1120328537.db2.gz HWYFYQUMAFQUPP-UHFFFAOYSA-N -1 1 352.356 4.165 20 0 FIADMM Cc1cc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)c(C)s1 ZINC000231220011 1120606130 /nfs/dbraw/zinc/60/61/30/1120606130.db2.gz KUALQDAKPMGXFC-VIFPVBQESA-N -1 1 354.269 4.324 20 0 FIADMM C/C(=C\C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CC1 ZINC000176589911 1120732266 /nfs/dbraw/zinc/73/22/66/1120732266.db2.gz PUGPCMLMCBCYLX-FMIVXFBMSA-N -1 1 366.442 4.051 20 0 FIADMM CCOC(=O)C(=C([O-])CSc1ccc(Cl)cc1)c1nc(C)cs1 ZINC000495369764 1120757975 /nfs/dbraw/zinc/75/79/75/1120757975.db2.gz WLESPJNQMGTQRO-CQSZACIVSA-N -1 1 369.895 4.113 20 0 FIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000176613416 1120929448 /nfs/dbraw/zinc/92/94/48/1120929448.db2.gz GXHZEOQNFQWBSL-CHWSQXEVSA-N -1 1 364.540 4.096 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Br)ccc1Cl)c1ccccc1 ZINC000236456151 1120965835 /nfs/dbraw/zinc/96/58/35/1120965835.db2.gz LPERYVRKHPBTDK-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1c(Cl)cccc1Cl ZINC000030384488 1121062224 /nfs/dbraw/zinc/06/22/24/1121062224.db2.gz ZHQAFPKFYRIGRD-UHFFFAOYSA-N -1 1 356.274 4.351 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000031721555 1121091082 /nfs/dbraw/zinc/09/10/82/1121091082.db2.gz YTFAVWGAOUCLJA-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1F ZINC000032586496 1121111015 /nfs/dbraw/zinc/11/10/15/1121111015.db2.gz AIGWJWUDSLDNLC-UHFFFAOYSA-N -1 1 371.433 4.226 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1C ZINC000032591083 1121111128 /nfs/dbraw/zinc/11/11/28/1121111128.db2.gz SOTCFDWHFOYHHE-UHFFFAOYSA-N -1 1 361.463 4.126 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCC1CCCCCCC1 ZINC000131444655 1121160584 /nfs/dbraw/zinc/16/05/84/1121160584.db2.gz RXKRDQXKPLZFHT-UHFFFAOYSA-N -1 1 364.540 4.146 20 0 FIADMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)c1 ZINC000032631279 1121316399 /nfs/dbraw/zinc/31/63/99/1121316399.db2.gz YIZFBAAFMPAUPQ-NRFANRHFSA-N -1 1 373.437 4.015 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)oc1C ZINC000057119731 1121353833 /nfs/dbraw/zinc/35/38/33/1121353833.db2.gz FQCDFPIHEUVZAH-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000123327709 1121399239 /nfs/dbraw/zinc/39/92/39/1121399239.db2.gz NUOUNXNYWCSXJL-UHFFFAOYSA-N -1 1 353.462 4.499 20 0 FIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2O1 ZINC000060738548 1121493774 /nfs/dbraw/zinc/49/37/74/1121493774.db2.gz HFFDVACIIPPJMV-UHFFFAOYSA-N -1 1 374.245 4.302 20 0 FIADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1)C1CC1 ZINC000124826544 1121722508 /nfs/dbraw/zinc/72/25/08/1121722508.db2.gz QSMZXCKUCRVVMV-UHFFFAOYSA-N -1 1 374.440 4.309 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2cnc(-c3ccccc3F)s2)s1 ZINC000067298069 1121774394 /nfs/dbraw/zinc/77/43/94/1121774394.db2.gz VLCCHWHSPKIOHU-UHFFFAOYSA-N -1 1 362.455 4.396 20 0 FIADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667269 1121961356 /nfs/dbraw/zinc/96/13/56/1121961356.db2.gz CYMPTDKFSHXRJC-SNVBAGLBSA-N -1 1 364.854 4.123 20 0 FIADMM C=C(C)C[C@@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000186317285 1122028591 /nfs/dbraw/zinc/02/85/91/1122028591.db2.gz WHEDFAPYJTZKFC-CYBMUJFWSA-N -1 1 368.458 4.297 20 0 FIADMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cc(Cl)ncc1F ZINC001128032824 1122108682 /nfs/dbraw/zinc/10/86/82/1122108682.db2.gz GLZYSPTZBNAQBL-UHFFFAOYSA-N -1 1 374.784 4.391 20 0 FIADMM O=C([N-]c1cc(F)cc(F)c1F)c1c(F)cc(Br)cc1F ZINC000127584167 1122121987 /nfs/dbraw/zinc/12/19/87/1122121987.db2.gz UCCBSTZYUQGRRT-UHFFFAOYSA-N -1 1 366.083 4.397 20 0 FIADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1-n1cccc1 ZINC000917113510 1122145212 /nfs/dbraw/zinc/14/52/12/1122145212.db2.gz AJXJYOJXQTYCOZ-UHFFFAOYSA-N -1 1 358.401 4.134 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000671894974 1122183013 /nfs/dbraw/zinc/18/30/13/1122183013.db2.gz TWYJVGBSVJMMDZ-UHFFFAOYSA-N -1 1 367.445 4.403 20 0 FIADMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc(-c2ccccc2Cl)on1 ZINC000917514644 1122343140 /nfs/dbraw/zinc/34/31/40/1122343140.db2.gz WOMZQOKUXVQBRD-UHFFFAOYSA-N -1 1 371.809 4.094 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(OC2CCCC2)cc1 ZINC000917733986 1122420482 /nfs/dbraw/zinc/42/04/82/1122420482.db2.gz PPQUHBFUFXHFTB-UHFFFAOYSA-N -1 1 353.390 4.087 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)c(C)s1 ZINC000917746195 1122425894 /nfs/dbraw/zinc/42/58/94/1122425894.db2.gz HFLZSHVOEAHBRT-UHFFFAOYSA-N -1 1 356.488 4.149 20 0 FIADMM CCC(CC)c1nnc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000670414922 1122466879 /nfs/dbraw/zinc/46/68/79/1122466879.db2.gz UZWOQTHUABFSED-UHFFFAOYSA-N -1 1 359.373 4.418 20 0 FIADMM Cc1cc(Br)c([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000129481189 1122610939 /nfs/dbraw/zinc/61/09/39/1122610939.db2.gz ACDXUDRZYJERKY-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM O=C([N-]c1cc(C(F)(F)F)ccc1SCC(F)F)c1ccon1 ZINC000129487100 1122613137 /nfs/dbraw/zinc/61/31/37/1122613137.db2.gz QGDXQVFGEOLHAN-UHFFFAOYSA-N -1 1 352.284 4.303 20 0 FIADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])ccn1C(C)C ZINC000498215332 1122637077 /nfs/dbraw/zinc/63/70/77/1122637077.db2.gz FJOLFDQXVJKTKL-UHFFFAOYSA-N -1 1 351.244 4.406 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000129563458 1122638518 /nfs/dbraw/zinc/63/85/18/1122638518.db2.gz RAXVCTUOCSRONE-UHFFFAOYSA-N -1 1 362.813 4.484 20 0 FIADMM CCCc1cc(=O)[n-]c(SCc2ccc(OC(F)F)c(OC)c2)n1 ZINC000498241930 1122647277 /nfs/dbraw/zinc/64/72/77/1122647277.db2.gz CLHWCXSFOHZKNG-UHFFFAOYSA-N -1 1 356.394 4.037 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1cccc(Br)c1Cl ZINC000556352660 1122835828 /nfs/dbraw/zinc/83/58/28/1122835828.db2.gz XFWHCUMECOAZNS-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1ccsc1-c1nsc([N-]C(=O)c2ccc(Br)o2)n1 ZINC000131791941 1123187357 /nfs/dbraw/zinc/18/73/57/1123187357.db2.gz RBLDOUUXOQGKRC-UHFFFAOYSA-N -1 1 370.253 4.183 20 0 FIADMM C[C@H](c1ccccc1Cl)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000075502785 1123495012 /nfs/dbraw/zinc/49/50/12/1123495012.db2.gz YBKRLIZXVIHUBL-GFCCVEGCSA-N -1 1 367.836 4.355 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)cc1 ZINC000174907474 1123576722 /nfs/dbraw/zinc/57/67/22/1123576722.db2.gz FRMSTVYBKXYOHM-GDBMZVCRSA-N -1 1 372.538 4.247 20 0 FIADMM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](c2ccco2)c2ccccc2)c1[O-] ZINC000237959349 1124208727 /nfs/dbraw/zinc/20/87/27/1124208727.db2.gz VKYHHWZBJFSXNF-KRWDZBQOSA-N -1 1 358.781 4.426 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)cc(C(F)(F)F)c3)no2)n[n-]1 ZINC001212429910 1124225411 /nfs/dbraw/zinc/22/54/11/1124225411.db2.gz QHORXYKXXXJRHT-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)cc(C(F)(F)F)c3)no2)[n-]n1 ZINC001212429910 1124225416 /nfs/dbraw/zinc/22/54/16/1124225416.db2.gz QHORXYKXXXJRHT-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000057410288 1124325045 /nfs/dbraw/zinc/32/50/45/1124325045.db2.gz UIDAYQADTOONJC-UHFFFAOYSA-N -1 1 366.442 4.113 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)C2CCCCCC2)c1 ZINC000198185564 1124394841 /nfs/dbraw/zinc/39/48/41/1124394841.db2.gz BVNLXTYJGGHIGP-UHFFFAOYSA-N -1 1 358.511 4.097 20 0 FIADMM CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000616986561 1124420585 /nfs/dbraw/zinc/42/05/85/1124420585.db2.gz VYADCXRTPMLKNL-INIZCTEOSA-N -1 1 374.506 4.056 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1 ZINC000108985521 1124426731 /nfs/dbraw/zinc/42/67/31/1124426731.db2.gz SMVNOWRXGQSZNW-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM CCC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000303838403 1124497425 /nfs/dbraw/zinc/49/74/25/1124497425.db2.gz CPCJVDBIYSGXTG-UHFFFAOYSA-N -1 1 374.506 4.186 20 0 FIADMM O=C([O-])CN(Cc1ccc(-c2ccc(Br)cc2)o1)C1CCC1 ZINC000656100415 1124581363 /nfs/dbraw/zinc/58/13/63/1124581363.db2.gz LLBBUVMDXCOPDP-UHFFFAOYSA-N -1 1 364.239 4.148 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nnc(-c2cccs2)o1 ZINC000109713501 1124589639 /nfs/dbraw/zinc/58/96/39/1124589639.db2.gz PYONAHXVNLCVKE-ZCFIWIBFSA-N -1 1 374.369 4.166 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nnc(-c2ccccc2)o1 ZINC000109713558 1124590047 /nfs/dbraw/zinc/59/00/47/1124590047.db2.gz LYBABEJSZFFCMM-MRVPVSSYSA-N -1 1 368.340 4.104 20 0 FIADMM C[C@@H](CC(=O)Nc1ccc(Br)c([O-])c1)c1ccccc1F ZINC001116757646 1124598526 /nfs/dbraw/zinc/59/85/26/1124598526.db2.gz HORZYKBLSVSGLL-JTQLQIEISA-N -1 1 352.203 4.426 20 0 FIADMM CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2cccc3ccccc32)c1C ZINC000075495785 1124897477 /nfs/dbraw/zinc/89/74/77/1124897477.db2.gz JLNOWJKXKBCOGH-RUZDIDTESA-N -1 1 353.487 4.410 20 0 FIADMM O=C([O-])CC1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000572532711 1124959227 /nfs/dbraw/zinc/95/92/27/1124959227.db2.gz BCVKGVFZGRNZTQ-UHFFFAOYSA-N -1 1 350.871 4.150 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1c(F)cccc1F ZINC000615293063 1125116521 /nfs/dbraw/zinc/11/65/21/1125116521.db2.gz CYTVXFWSLXCJBI-LURJTMIESA-N -1 1 372.245 4.373 20 0 FIADMM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000077516463 1125218551 /nfs/dbraw/zinc/21/85/51/1125218551.db2.gz OZVIGFBISCSLJU-HNNXBMFYSA-N -1 1 361.445 4.339 20 0 FIADMM [O-]c1cccnc1-c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)no1 ZINC001212481000 1125299427 /nfs/dbraw/zinc/29/94/27/1125299427.db2.gz UQRQGOOGOJZGDZ-UHFFFAOYSA-N -1 1 357.675 4.056 20 0 FIADMM COc1cccc(C(=O)c2ccc(C(=O)Nc3c([O-])cccc3F)cc2)c1 ZINC000672910860 1125413399 /nfs/dbraw/zinc/41/33/99/1125413399.db2.gz RDZRNSUSWXGJKS-UHFFFAOYSA-N -1 1 365.360 4.023 20 0 FIADMM CC(C)OCc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000109126338 206046182 /nfs/dbraw/zinc/04/61/82/206046182.db2.gz QPGZUFBUTAUHCT-UHFFFAOYSA-N -1 1 364.239 4.332 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186326848 567907104 /nfs/dbraw/zinc/90/71/04/567907104.db2.gz RFCTZJLKKBVUNA-INIZCTEOSA-N -1 1 370.207 4.052 20 0 FIADMM CCC[N@H+]1Cc2cccc(NC(=O)c3cc(Cl)c(O)c(OCC)c3)c2C1 ZINC000186774246 567982223 /nfs/dbraw/zinc/98/22/23/567982223.db2.gz WWNIOJPTPHOKDR-UHFFFAOYSA-N -1 1 374.868 4.422 20 0 FIADMM O=C1c2ccccc2N[C@@H](c2ccc([O-])c(Cl)c2)N1Cc1ccco1 ZINC000065887988 568063575 /nfs/dbraw/zinc/06/35/75/568063575.db2.gz GVJMCMMMFCJDHF-GOSISDBHSA-N -1 1 354.793 4.405 20 0 FIADMM COc1ccc2[nH]cc(CCNC(=O)c3cc4ccccc4cc3[O-])c2c1 ZINC000603548204 568118125 /nfs/dbraw/zinc/11/81/25/568118125.db2.gz MXRHCWMBMNNZPG-UHFFFAOYSA-N -1 1 360.413 4.008 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2)cs1 ZINC000007726341 568254346 /nfs/dbraw/zinc/25/43/46/568254346.db2.gz GYNMRJRBFLICGF-UHFFFAOYSA-N -1 1 370.499 4.408 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1 ZINC000005262333 568383720 /nfs/dbraw/zinc/38/37/20/568383720.db2.gz GZINISCNARAFOV-UHFFFAOYSA-N -1 1 358.488 4.482 20 0 FIADMM O=S(=O)([N-][C@@H]1CCCC12CCCCC2)c1c(Cl)ccnc1Cl ZINC001212488262 1125457128 /nfs/dbraw/zinc/45/71/28/1125457128.db2.gz YLDJBNYPOMYZQT-GFCCVEGCSA-N -1 1 363.310 4.170 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(Cl)cc1F ZINC000471112717 1079667013 /nfs/dbraw/zinc/66/70/13/1079667013.db2.gz NUZKQJFEEIITLI-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc(Cl)c1[O-] ZINC000186818474 1079676024 /nfs/dbraw/zinc/67/60/24/1079676024.db2.gz VXIHBAFXGHFNHD-SJCJKPOMSA-N -1 1 369.889 4.015 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2Cl)cc1 ZINC000683172408 1079809257 /nfs/dbraw/zinc/80/92/57/1079809257.db2.gz ZDRFPHDTXJPZDM-MRXNPFEDSA-N -1 1 354.233 4.308 20 0 FIADMM CC(C)[C@H]1CCc2nc([N-]C(=O)c3ocnc3C(F)(F)F)sc2C1 ZINC000890594614 1080033127 /nfs/dbraw/zinc/03/31/27/1080033127.db2.gz WCNRMYFBPLLDHP-QMMMGPOBSA-N -1 1 359.373 4.163 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2coc(-c3cccc(F)c3)n2)[n-]1 ZINC000127044090 1080071147 /nfs/dbraw/zinc/07/11/47/1080071147.db2.gz ORPHOIJRXZDFRM-UHFFFAOYSA-N -1 1 371.315 4.287 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)C2CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC000655344523 1080173643 /nfs/dbraw/zinc/17/36/43/1080173643.db2.gz JSHVCHTZQSBIGG-SNVBAGLBSA-N -1 1 361.816 4.388 20 0 FIADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(Cl)ccc1[O-] ZINC000047277050 1080226714 /nfs/dbraw/zinc/22/67/14/1080226714.db2.gz VIDZSCUZMNZBKU-UHFFFAOYSA-N -1 1 369.852 4.141 20 0 FIADMM COc1cccc(-c2nc(C(=O)Nc3ccc([O-])c(Cl)c3)c(C)[nH]2)c1 ZINC000182874100 1080352810 /nfs/dbraw/zinc/35/28/10/1080352810.db2.gz FPOLSSBCZXUZKY-UHFFFAOYSA-N -1 1 357.797 4.005 20 0 FIADMM COCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000653951643 1080925203 /nfs/dbraw/zinc/92/52/03/1080925203.db2.gz LKPPVJKDDROWLO-OAHLLOKOSA-N -1 1 371.330 4.058 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000647052646 1081179177 /nfs/dbraw/zinc/17/91/77/1081179177.db2.gz UBDLLXZKGDHEGV-AWEZNQCLSA-N -1 1 351.830 4.192 20 0 FIADMM O=C(Nc1c[n-][nH]c1=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1 ZINC001648816344 1081236134 /nfs/dbraw/zinc/23/61/34/1081236134.db2.gz QJEHICZKZXOMQF-UHFFFAOYSA-N -1 1 364.188 4.467 20 0 FIADMM CCCCOc1ccc(C(=O)Nc2ccn(-c3ccc(C)cc3)n2)c([O-])c1 ZINC001648886402 1081346246 /nfs/dbraw/zinc/34/62/46/1081346246.db2.gz PYEIIHUVBYPQQH-UHFFFAOYSA-N -1 1 365.433 4.318 20 0 FIADMM COc1nc(C(=O)[N-]c2c(F)cc(F)cc2Oc2ccccc2C)co1 ZINC001167317637 1081349559 /nfs/dbraw/zinc/34/95/59/1081349559.db2.gz HMJOFKMKKDSLSH-UHFFFAOYSA-N -1 1 360.316 4.314 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115220140 1081521527 /nfs/dbraw/zinc/52/15/27/1081521527.db2.gz ZTZSHWOELRZOOM-UHFFFAOYSA-N -1 1 365.404 4.368 20 0 FIADMM O=C([O-])CCCN(Cc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000580319614 1081837159 /nfs/dbraw/zinc/83/71/59/1081837159.db2.gz QYEJNOODRKSFAG-UHFFFAOYSA-N -1 1 356.447 4.270 20 0 FIADMM CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cncc([O-])c1 ZINC000580588289 1082031964 /nfs/dbraw/zinc/03/19/64/1082031964.db2.gz HLHUWGUJJLDWBQ-SFHVURJKSA-N -1 1 365.477 4.149 20 0 FIADMM C[C@@H](Oc1ccccc1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000580765454 1082131071 /nfs/dbraw/zinc/13/10/71/1082131071.db2.gz NCUAOFVJCUYESA-SECBINFHSA-N -1 1 370.630 4.214 20 0 FIADMM O=S(=O)(CCCCF)[N-]c1cccc(-c2ccc3ccccc3c2)n1 ZINC000581093913 1082309395 /nfs/dbraw/zinc/30/93/95/1082309395.db2.gz OEUGZBGFKNYBMB-UHFFFAOYSA-N -1 1 358.438 4.393 20 0 FIADMM O=C([O-])c1ccccc1OCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000581115227 1082325585 /nfs/dbraw/zinc/32/55/85/1082325585.db2.gz QOJGZKHQBMIRGL-UHFFFAOYSA-N -1 1 367.367 4.218 20 0 FIADMM CCc1cccc2cc(CN[C@@H](Cc3ccc(C)c(C)c3)C(=O)[O-])oc21 ZINC000656567199 1082582919 /nfs/dbraw/zinc/58/29/19/1082582919.db2.gz HCDRGCOTSCNRSS-FQEVSTJZSA-N -1 1 351.446 4.398 20 0 FIADMM CCc1cccc2cc(CN[C@H](Cc3cc(C)cc(C)c3)C(=O)[O-])oc21 ZINC000656573948 1082592998 /nfs/dbraw/zinc/59/29/98/1082592998.db2.gz QWZMRUXEYZFPJI-HXUWFJFHSA-N -1 1 351.446 4.398 20 0 FIADMM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1c([O-])cccc1F ZINC000605435418 1082663726 /nfs/dbraw/zinc/66/37/26/1082663726.db2.gz FRCANEVBLULZEN-UHFFFAOYSA-N -1 1 360.772 4.411 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1C1CC1 ZINC000656739029 1082739567 /nfs/dbraw/zinc/73/95/67/1082739567.db2.gz JQOQRGJDWRWQCL-UHFFFAOYSA-N -1 1 354.834 4.002 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1C1CC1 ZINC000656739869 1082740049 /nfs/dbraw/zinc/74/00/49/1082740049.db2.gz TYBTUDPQIHEUKS-UHFFFAOYSA-N -1 1 354.834 4.002 20 0 FIADMM COCc1ccccc1CS(=O)(=O)[N-]c1cc(C)ccc1C(F)(F)F ZINC000656742391 1082742970 /nfs/dbraw/zinc/74/29/70/1082742970.db2.gz NYGDPZKIVRYNER-UHFFFAOYSA-N -1 1 373.396 4.102 20 0 FIADMM CC[C@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756855 1082751065 /nfs/dbraw/zinc/75/10/65/1082751065.db2.gz ILQWEZUWGYLTRQ-ISTVAULSSA-N -1 1 351.315 4.001 20 0 FIADMM O=C([O-])c1cccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000656760217 1082753088 /nfs/dbraw/zinc/75/30/88/1082753088.db2.gz RONOWRRJOGNBSW-UHFFFAOYSA-N -1 1 365.260 4.014 20 0 FIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000548283314 1082959850 /nfs/dbraw/zinc/95/98/50/1082959850.db2.gz KSMIQFJHYCAWTF-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CC1(C)CN(Cc2c(Cl)cccc2C(=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000581889820 1082977947 /nfs/dbraw/zinc/97/79/47/1082977947.db2.gz NDGJUDLNYYNHMI-CKNLXJGOSA-N -1 1 363.885 4.208 20 0 FIADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000261765117 1083059566 /nfs/dbraw/zinc/05/95/66/1083059566.db2.gz VJEVSIKBSMIOBO-OAHLLOKOSA-N -1 1 364.239 4.148 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000089103001 1083234189 /nfs/dbraw/zinc/23/41/89/1083234189.db2.gz PHPPBZHEMBMLOB-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM COC(=O)c1c[n-]c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n1 ZINC000187582837 1083243366 /nfs/dbraw/zinc/24/33/66/1083243366.db2.gz RRAFACDMJGTFJS-UHFFFAOYSA-N -1 1 372.446 4.027 20 0 FIADMM O=c1cc(C(F)(F)F)nc(CNc2ccccc2SC(F)(F)F)[n-]1 ZINC000179763825 1083618860 /nfs/dbraw/zinc/61/88/60/1083618860.db2.gz WVDXBZXPNUWHHZ-UHFFFAOYSA-N -1 1 369.290 4.425 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 ZINC000612382741 1083761106 /nfs/dbraw/zinc/76/11/06/1083761106.db2.gz PVUHZANBWWNLST-IRJFHVNHSA-N -1 1 369.505 4.420 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000612382910 1083761933 /nfs/dbraw/zinc/76/19/33/1083761933.db2.gz QIUPYWQQWANUCG-RTBURBONSA-N -1 1 355.478 4.030 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1cccc(C(F)F)c1 ZINC000780374488 1083788714 /nfs/dbraw/zinc/78/87/14/1083788714.db2.gz PHZQHKPGPOBSCK-UHFFFAOYSA-N -1 1 350.346 4.080 20 0 FIADMM CCc1nc(SCc2ccc(OCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000570106363 1083909268 /nfs/dbraw/zinc/90/92/68/1083909268.db2.gz CSAAIFIOPUMJPW-UHFFFAOYSA-N -1 1 367.474 4.319 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427320336 1083937094 /nfs/dbraw/zinc/93/70/94/1083937094.db2.gz LQIVXEFBFRWHJM-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CC(C)(C)c1nsc([N-]C(=O)c2csc(-c3cccs3)n2)n1 ZINC000068073559 1084036839 /nfs/dbraw/zinc/03/68/39/1084036839.db2.gz GAGBHBVFCRQNJE-UHFFFAOYSA-N -1 1 350.494 4.273 20 0 FIADMM CCc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)[n-]c(=O)c1C ZINC000657263696 1084129197 /nfs/dbraw/zinc/12/91/97/1084129197.db2.gz UCFQHFJDQDSHPX-UHFFFAOYSA-N -1 1 362.842 4.049 20 0 FIADMM Cc1nc2ccc(C(=O)Nc3cc(C)cc(Br)c3[O-])cc2o1 ZINC000472487692 1084276464 /nfs/dbraw/zinc/27/64/64/1084276464.db2.gz NVMYPSQSSAQNEO-UHFFFAOYSA-N -1 1 361.195 4.165 20 0 FIADMM Cc1ccc(OCCCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C ZINC000472491119 1084290150 /nfs/dbraw/zinc/29/01/50/1084290150.db2.gz AGMRHDDCNDKXFC-UHFFFAOYSA-N -1 1 365.433 4.197 20 0 FIADMM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(F)ccc1[O-] ZINC000414027303 1084314565 /nfs/dbraw/zinc/31/45/65/1084314565.db2.gz XAWSZLQPIZBGBE-AWEZNQCLSA-N -1 1 372.440 4.028 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)cc1 ZINC000071976594 1084493129 /nfs/dbraw/zinc/49/31/29/1084493129.db2.gz DWQUPCBNUOQKQS-AWEZNQCLSA-N -1 1 374.506 4.011 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)CC(F)(F)F)c1 ZINC000613305387 1084573800 /nfs/dbraw/zinc/57/38/00/1084573800.db2.gz QPYLXRNAISSZCV-UHFFFAOYSA-N -1 1 354.166 4.380 20 0 FIADMM Cn1c2ccccc2c2cc(C(=O)Nc3nc(-c4ccco4)n[n-]3)sc21 ZINC000892231029 1084793783 /nfs/dbraw/zinc/79/37/83/1084793783.db2.gz RETHYNCZYRSRNL-UHFFFAOYSA-N -1 1 363.402 4.023 20 0 FIADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000174653630 1084807774 /nfs/dbraw/zinc/80/77/74/1084807774.db2.gz VPEFTXKDOZKEKG-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640642 1084830776 /nfs/dbraw/zinc/83/07/76/1084830776.db2.gz BVRMFFZYBDDCDQ-UHFFFAOYSA-N -1 1 364.858 4.160 20 0 FIADMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C2CC2)c(C)n1C1CCCCC1 ZINC000066638424 1084835017 /nfs/dbraw/zinc/83/50/17/1084835017.db2.gz AHWLHHPNBXJSRB-UHFFFAOYSA-N -1 1 373.526 4.129 20 0 FIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000582315860 1084856009 /nfs/dbraw/zinc/85/60/09/1084856009.db2.gz LPWGORCWEBBFBH-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM O=C(Nc1cccc2cc(Br)cnc21)c1ccc([O-])cc1F ZINC000318531439 1084974298 /nfs/dbraw/zinc/97/42/98/1084974298.db2.gz JFSXZBSCBPESED-UHFFFAOYSA-N -1 1 361.170 4.094 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1 ZINC000685903060 1084991594 /nfs/dbraw/zinc/99/15/94/1084991594.db2.gz ACIXNOFAKOTHTF-UHFFFAOYSA-N -1 1 366.433 4.064 20 0 FIADMM C[C@H](OCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000684871257 1085002401 /nfs/dbraw/zinc/00/24/01/1085002401.db2.gz ZIWMQVGIFUCECU-ZDUSSCGKSA-N -1 1 367.367 4.309 20 0 FIADMM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873119 1085007596 /nfs/dbraw/zinc/00/75/96/1085007596.db2.gz UGRMSBMREXQJDL-SJCJKPOMSA-N -1 1 365.351 4.013 20 0 FIADMM Cc1cccnc1[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC000684874330 1085008735 /nfs/dbraw/zinc/00/87/35/1085008735.db2.gz PKKVZLSWGAZHJK-OAHLLOKOSA-N -1 1 352.356 4.242 20 0 FIADMM COc1ccc(N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1Cl ZINC000684875661 1085011695 /nfs/dbraw/zinc/01/16/95/1085011695.db2.gz MTEWZWJHWZHQSG-UHFFFAOYSA-N -1 1 359.731 4.350 20 0 FIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684874925 1085013735 /nfs/dbraw/zinc/01/37/35/1085013735.db2.gz XYZNCXYNSWVKOW-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000511149142 1085094567 /nfs/dbraw/zinc/09/45/67/1085094567.db2.gz DBIUPAZDDAWJIM-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780376549 1085209204 /nfs/dbraw/zinc/20/92/04/1085209204.db2.gz VNBCPUIWOUOXCZ-UHFFFAOYSA-N -1 1 368.405 4.082 20 0 FIADMM Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-])CCC2 ZINC000582612411 1085245635 /nfs/dbraw/zinc/24/56/35/1085245635.db2.gz TXTFXIHOYYSWKS-HNNXBMFYSA-N -1 1 350.871 4.313 20 0 FIADMM Cc1nc2c(s1)[C@@H](N(C)Cc1c(Cl)cccc1C(=O)[O-])CCC2 ZINC000582612411 1085245643 /nfs/dbraw/zinc/24/56/43/1085245643.db2.gz TXTFXIHOYYSWKS-HNNXBMFYSA-N -1 1 350.871 4.313 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]3c3cccc(Cl)c3)nc2)[n-]c(=O)c1C ZINC000078301839 1085689661 /nfs/dbraw/zinc/68/96/61/1085689661.db2.gz HBYSWDIMTFLIQA-DLBZAZTESA-N -1 1 366.852 4.070 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1c(C)noc1C ZINC000119388422 1085870020 /nfs/dbraw/zinc/87/00/20/1085870020.db2.gz PNHBJXXGEOWPBB-MRVPVSSYSA-N -1 1 369.295 4.089 20 0 FIADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000652498618 1086134825 /nfs/dbraw/zinc/13/48/25/1086134825.db2.gz NWXSZDIDUSANMA-LBPRGKRZSA-N -1 1 374.706 4.425 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000150796845 1086329624 /nfs/dbraw/zinc/32/96/24/1086329624.db2.gz FHJWFCIKJLCZDZ-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000583171815 1086341980 /nfs/dbraw/zinc/34/19/80/1086341980.db2.gz HLKQKNRNMQTUDC-UHFFFAOYSA-N -1 1 372.346 4.220 20 0 FIADMM Cc1cc(Br)c(CN2CCCC[C@H]2CC(=O)[O-])cc1Cl ZINC000662215832 1086344803 /nfs/dbraw/zinc/34/48/03/1086344803.db2.gz VXZKZQKRLJPAHW-LBPRGKRZSA-N -1 1 360.679 4.240 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3C)ccc2C)n1 ZINC000150803617 1086353057 /nfs/dbraw/zinc/35/30/57/1086353057.db2.gz SUKKORKKLPYDLX-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCC[C@H](F)C1 ZINC000565022530 1086517624 /nfs/dbraw/zinc/51/76/24/1086517624.db2.gz GGFJKYZPFORPOL-CBAPKCEASA-N -1 1 350.615 4.275 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)CCCCC3)c(=O)[n-]1 ZINC000650689651 1086595617 /nfs/dbraw/zinc/59/56/17/1086595617.db2.gz FERFIQGPNDOGJP-UHFFFAOYSA-N -1 1 371.506 4.053 20 0 FIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000008205711 1086739722 /nfs/dbraw/zinc/73/97/22/1086739722.db2.gz BREJFGYWTRFZOU-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1c(Cl)cc(F)cc1Cl ZINC001211699928 1086742041 /nfs/dbraw/zinc/74/20/41/1086742041.db2.gz PIAWSZKXGJVQHY-AULYBMBSSA-N -1 1 374.264 4.357 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(O)cc2OC(C)C)cc(Cl)c1[O-] ZINC000278502043 1087039148 /nfs/dbraw/zinc/03/91/48/1087039148.db2.gz LQCKGSPVJCWWDC-UHFFFAOYSA-N -1 1 365.813 4.189 20 0 FIADMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nccs1 ZINC000151457248 1087109663 /nfs/dbraw/zinc/10/96/63/1087109663.db2.gz FQQXINBBIQQZMZ-LLVKDONJSA-N -1 1 371.336 4.115 20 0 FIADMM CC(C)C1(C)CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000565108203 1087207143 /nfs/dbraw/zinc/20/71/43/1087207143.db2.gz WJJDSRAVWCWRIE-HNNXBMFYSA-N -1 1 372.278 4.472 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)s1 ZINC000030039136 1087316545 /nfs/dbraw/zinc/31/65/45/1087316545.db2.gz YQRUYPZMTBRNNV-UHFFFAOYSA-N -1 1 362.842 4.441 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000085650565 1087364105 /nfs/dbraw/zinc/36/41/05/1087364105.db2.gz UEAUKQUDJWKKTJ-UHFFFAOYSA-N -1 1 353.368 4.138 20 0 FIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1sc2ccccc2c1Cl ZINC001211618988 1087369901 /nfs/dbraw/zinc/36/99/01/1087369901.db2.gz AKQCPLVUJCXRGP-UONOGXRCSA-N -1 1 363.891 4.389 20 0 FIADMM O=S(=O)([N-]c1ccccc1-c1cccs1)c1ccc2c(c1)CCO2 ZINC000685446121 1087568992 /nfs/dbraw/zinc/56/89/92/1087568992.db2.gz UHNHXDVFUKQIBG-UHFFFAOYSA-N -1 1 357.456 4.151 20 0 FIADMM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1cncs1 ZINC000685453028 1087573474 /nfs/dbraw/zinc/57/34/74/1087573474.db2.gz FQLZMKGIWNNLGT-UHFFFAOYSA-N -1 1 368.896 4.193 20 0 FIADMM COC(=O)c1cc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)o1 ZINC000545227250 1087633066 /nfs/dbraw/zinc/63/30/66/1087633066.db2.gz IMOPKEQKFHBJBD-UHFFFAOYSA-N -1 1 370.430 4.138 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)F)cc1OCC ZINC000424070123 1087744646 /nfs/dbraw/zinc/74/46/46/1087744646.db2.gz RLIVXJDUNPVRTI-UHFFFAOYSA-N -1 1 371.405 4.222 20 0 FIADMM CC1(C(=O)[O-])CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000647376100 1087798782 /nfs/dbraw/zinc/79/87/82/1087798782.db2.gz MRTRCPSCDOXZJJ-UHFFFAOYSA-N -1 1 350.871 4.150 20 0 FIADMM COc1ccccc1-c1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000424263624 1087885162 /nfs/dbraw/zinc/88/51/62/1087885162.db2.gz RUWDWUBXAYEJIB-HNNXBMFYSA-N -1 1 360.479 4.038 20 0 FIADMM COc1cc(-c2noc([C@@H]3CCC[C@@H](F)C3)n2)cc(Br)c1[O-] ZINC000424358985 1087944650 /nfs/dbraw/zinc/94/46/50/1087944650.db2.gz PNTDCZGTRYFPPP-PSASIEDQSA-N -1 1 371.206 4.209 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000176460105 1087967752 /nfs/dbraw/zinc/96/77/52/1087967752.db2.gz SKCKWXVUSWYEQX-UHFFFAOYSA-N -1 1 358.385 4.024 20 0 FIADMM Cc1ccc(NC(=O)C2CC(C)(C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000504961692 1088008417 /nfs/dbraw/zinc/00/84/17/1088008417.db2.gz KBXXSMCCTZENJI-UHFFFAOYSA-N -1 1 372.490 4.171 20 0 FIADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc(Br)c([O-])c1 ZINC000434340448 1088530690 /nfs/dbraw/zinc/53/06/90/1088530690.db2.gz DZDFUEYAPWJVRU-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181159511 1088784426 /nfs/dbraw/zinc/78/44/26/1088784426.db2.gz UGUMGPWRBOKZAG-UHFFFAOYSA-N -1 1 368.339 4.175 20 0 FIADMM COc1ccccc1-c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000188148688 1088905932 /nfs/dbraw/zinc/90/59/32/1088905932.db2.gz XUSBMQYYCJUILV-UHFFFAOYSA-N -1 1 371.487 4.484 20 0 FIADMM COc1cc(C(=O)Nc2ccc(OC(F)F)cc2F)cc(Cl)c1[O-] ZINC000549133417 1088987873 /nfs/dbraw/zinc/98/78/73/1088987873.db2.gz FNTVUCHZFTYBEK-UHFFFAOYSA-N -1 1 361.703 4.047 20 0 FIADMM CCN(CCc1cccs1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000549185718 1089161322 /nfs/dbraw/zinc/16/13/22/1089161322.db2.gz BSYMEGNNMTUYQC-UHFFFAOYSA-N -1 1 360.866 4.360 20 0 FIADMM CC(C)CCOc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000613665862 1089250358 /nfs/dbraw/zinc/25/03/58/1089250358.db2.gz XXNYTGTZLDUZLH-UHFFFAOYSA-N -1 1 365.433 4.460 20 0 FIADMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000613667103 1089259574 /nfs/dbraw/zinc/25/95/74/1089259574.db2.gz IJBFYZIMLYXBOT-ZDUSSCGKSA-N -1 1 353.447 4.210 20 0 FIADMM CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000514775893 1089460708 /nfs/dbraw/zinc/46/07/08/1089460708.db2.gz STNVWILUPQYRIT-UHFFFAOYSA-N -1 1 360.479 4.233 20 0 FIADMM CCCC[C@@H](CC)CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000514791341 1089474219 /nfs/dbraw/zinc/47/42/19/1089474219.db2.gz NVQCTJMWGFWLSE-QAPCUYQASA-N -1 1 363.498 4.294 20 0 FIADMM COc1cccc(Cl)c1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000505684361 1089595559 /nfs/dbraw/zinc/59/55/59/1089595559.db2.gz OLLJQAYQGFJAIC-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435421494 1089638567 /nfs/dbraw/zinc/63/85/67/1089638567.db2.gz JNIGHGHBUWFCQF-VIFPVBQESA-N -1 1 366.241 4.025 20 0 FIADMM CC[C@@]1(C)CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000515068539 1089768627 /nfs/dbraw/zinc/76/86/27/1089768627.db2.gz UDGKBOIBEZSERE-ZBFHGGJFSA-N -1 1 358.251 4.226 20 0 FIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000460829508 1090003444 /nfs/dbraw/zinc/00/34/44/1090003444.db2.gz MNVUKPMRVWXVEW-UHFFFAOYSA-N -1 1 358.463 4.251 20 0 FIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c1 ZINC000460838470 1090043371 /nfs/dbraw/zinc/04/33/71/1090043371.db2.gz JGTDFYWKFVPOQN-UHFFFAOYSA-N -1 1 353.447 4.068 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1sccc1OC(F)F ZINC000182147383 1090332488 /nfs/dbraw/zinc/33/24/88/1090332488.db2.gz FHCFGRFSIPAYRM-UHFFFAOYSA-N -1 1 359.404 4.182 20 0 FIADMM CSCc1cccc(-c2cccc(-n3[nH]c(C)c(CC(=O)[O-])c3=O)c2)c1 ZINC000584666542 1090678017 /nfs/dbraw/zinc/67/80/17/1090678017.db2.gz YRBDAMDOAPEBBK-GOSISDBHSA-N -1 1 368.458 4.030 20 0 FIADMM O=C(NCc1ccccc1C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000318918545 1090713696 /nfs/dbraw/zinc/71/36/96/1090713696.db2.gz XBPFFIPYAJQPRL-UHFFFAOYSA-N -1 1 374.156 4.104 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000417555486 1090924548 /nfs/dbraw/zinc/92/45/48/1090924548.db2.gz LZJBZLHQNQEPSI-NSHDSACASA-N -1 1 364.776 4.121 20 0 FIADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cnc([C@H]3CCCO3)s2)cc1 ZINC000417562265 1090927683 /nfs/dbraw/zinc/92/76/83/1090927683.db2.gz CFMMSCLQHFQPIF-QZTJIDSGSA-N -1 1 374.506 4.424 20 0 FIADMM CCOc1cccc2cc([C@H](C)NC(=O)c3c(F)ccc([O-])c3F)oc21 ZINC000584831689 1090932566 /nfs/dbraw/zinc/93/25/66/1090932566.db2.gz LNIGOVRWMNGEMB-JTQLQIEISA-N -1 1 361.344 4.306 20 0 FIADMM O=C([O-])[C@H](CC1CC1)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000417609504 1090938358 /nfs/dbraw/zinc/93/83/58/1090938358.db2.gz QRMUHRJFNZZINN-HNNXBMFYSA-N -1 1 353.340 4.308 20 0 FIADMM CCCOc1c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cccc1OCC ZINC000417623738 1090942683 /nfs/dbraw/zinc/94/26/83/1090942683.db2.gz PPEIHHXWRUMSTL-MOPGFXCFSA-N -1 1 369.461 4.277 20 0 FIADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000500372843 1091380785 /nfs/dbraw/zinc/38/07/85/1091380785.db2.gz KQOUYSGYUVEIQZ-UHFFFAOYSA-N -1 1 359.369 4.213 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1Cl ZINC000511715066 1091569399 /nfs/dbraw/zinc/56/93/99/1091569399.db2.gz MFCDYFKBHFZZLY-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM COC(=O)c1cnc(S[C@H](c2ccccc2)c2ccc(F)c(F)c2)[n-]1 ZINC000432669554 1092044714 /nfs/dbraw/zinc/04/47/14/1092044714.db2.gz LENYLHZNCVEJAC-MRXNPFEDSA-N -1 1 360.385 4.356 20 0 FIADMM COC(=O)c1c[n-]c(S[C@H](c2ccccc2)c2ccc(F)c(F)c2)n1 ZINC000432669554 1092044724 /nfs/dbraw/zinc/04/47/24/1092044724.db2.gz LENYLHZNCVEJAC-MRXNPFEDSA-N -1 1 360.385 4.356 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)c(Cl)c2Cl)[n-]c1=O ZINC000432695600 1092124786 /nfs/dbraw/zinc/12/47/86/1092124786.db2.gz LYOUCVRYHVITDB-VURMDHGXSA-N -1 1 371.195 4.365 20 0 FIADMM CCn1c(CNC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n[n-]c1=S ZINC000067050706 1092326651 /nfs/dbraw/zinc/32/66/51/1092326651.db2.gz SGTKBQBECZLFOC-UHFFFAOYSA-N -1 1 372.538 4.212 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c2)o1 ZINC000520925856 1092359276 /nfs/dbraw/zinc/35/92/76/1092359276.db2.gz BWQXYVMUFKXNFO-UHFFFAOYSA-N -1 1 368.458 4.330 20 0 FIADMM O=C([O-])C[C@H]1CSCCN1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000521056093 1092451457 /nfs/dbraw/zinc/45/14/57/1092451457.db2.gz QATDIQQBQFVGJM-HNNXBMFYSA-N -1 1 361.438 4.010 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1c[nH]c2cccc(F)c21 ZINC000442251561 1092522597 /nfs/dbraw/zinc/52/25/97/1092522597.db2.gz QNHDXSANDCQSHL-UHFFFAOYSA-N -1 1 360.744 4.039 20 0 FIADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442255655 1092541210 /nfs/dbraw/zinc/54/12/10/1092541210.db2.gz VMBLOIUGKSLBGI-UHFFFAOYSA-N -1 1 361.797 4.044 20 0 FIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4ccoc4c3)cc2)co1 ZINC000442851365 1092824674 /nfs/dbraw/zinc/82/46/74/1092824674.db2.gz QTPYTKPBOHULCS-UHFFFAOYSA-N -1 1 354.387 4.197 20 0 FIADMM COc1cc(C(=O)N(CCc2ccccc2)CC(C)C)cc(Cl)c1[O-] ZINC000442880694 1092834908 /nfs/dbraw/zinc/83/49/08/1092834908.db2.gz XUNFJGHEWXIVQS-UHFFFAOYSA-N -1 1 361.869 4.395 20 0 FIADMM CSc1ccccc1[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000442959672 1092887701 /nfs/dbraw/zinc/88/77/01/1092887701.db2.gz ATFIREUPDWSJFT-NSHDSACASA-N -1 1 359.495 4.001 20 0 FIADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)s1 ZINC000442959480 1092888685 /nfs/dbraw/zinc/88/86/85/1092888685.db2.gz AEJZUYDGVTYGTB-SNVBAGLBSA-N -1 1 368.886 4.215 20 0 FIADMM COc1cc(C(=O)NC2(c3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000442974235 1092900240 /nfs/dbraw/zinc/90/02/40/1092900240.db2.gz PGIUADDKTWNLJW-UHFFFAOYSA-N -1 1 352.217 4.127 20 0 FIADMM CC[C@H](CSc1ccccc1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443055990 1092929610 /nfs/dbraw/zinc/92/96/10/1092929610.db2.gz XKBRWGGDXXAXCC-CYBMUJFWSA-N -1 1 365.882 4.355 20 0 FIADMM COc1cc(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)cc(Cl)c1[O-] ZINC000443054857 1092929777 /nfs/dbraw/zinc/92/97/77/1092929777.db2.gz AMLUVCBYSYPYNJ-QGZVFWFLSA-N -1 1 363.816 4.383 20 0 FIADMM COc1cc(-c2nc([C@@H]3CCOc4ccccc43)no2)cc(Cl)c1[O-] ZINC000443209490 1092992532 /nfs/dbraw/zinc/99/25/32/1092992532.db2.gz FYQBWYHDSVHKBK-GFCCVEGCSA-N -1 1 358.781 4.019 20 0 FIADMM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000614152555 1092994485 /nfs/dbraw/zinc/99/44/85/1092994485.db2.gz IPNMDDVBISJDEL-CQSZACIVSA-N -1 1 370.880 4.101 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000443401535 1093104537 /nfs/dbraw/zinc/10/45/37/1093104537.db2.gz CTDPLOFAGQYPMP-UHFFFAOYSA-N -1 1 374.487 4.318 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443404813 1093106229 /nfs/dbraw/zinc/10/62/29/1093106229.db2.gz HLNUEGGMIIYBMB-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000443405267 1093107466 /nfs/dbraw/zinc/10/74/66/1093107466.db2.gz JFJFJSPGZGHRBH-UHFFFAOYSA-N -1 1 373.396 4.381 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C)cc(F)c3)c2)n1 ZINC000443413162 1093114644 /nfs/dbraw/zinc/11/46/44/1093114644.db2.gz LVCUSWHPDISEGP-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000247733604 1093196692 /nfs/dbraw/zinc/19/66/92/1093196692.db2.gz ISHOSTHQKDQZTJ-UHFFFAOYSA-N -1 1 362.817 4.039 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000509621164 1093299954 /nfs/dbraw/zinc/29/99/54/1093299954.db2.gz QBISQTOGLMNXCD-UHFFFAOYSA-N -1 1 365.454 4.335 20 0 FIADMM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094124739 1093312328 /nfs/dbraw/zinc/31/23/28/1093312328.db2.gz SWAZMGVPSQUQKL-UHFFFAOYSA-N -1 1 370.405 4.026 20 0 FIADMM Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(F)ccc2[O-])c1 ZINC000094106298 1093312515 /nfs/dbraw/zinc/31/25/15/1093312515.db2.gz KSZVPQXEWAZAHM-UHFFFAOYSA-N -1 1 350.393 4.077 20 0 FIADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(C(F)(F)F)cc1 ZINC000033772572 1093518333 /nfs/dbraw/zinc/51/83/33/1093518333.db2.gz MLGQHZBKPNHCBZ-UHFFFAOYSA-N -1 1 358.366 4.116 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2ncc(-c3ccccc3F)o2)[n-]1 ZINC000151040149 1093877814 /nfs/dbraw/zinc/87/78/14/1093877814.db2.gz GOFBUQYVDHCWMP-UHFFFAOYSA-N -1 1 371.315 4.287 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)cc(Cl)c1[O-] ZINC000473511631 1093899325 /nfs/dbraw/zinc/89/93/25/1093899325.db2.gz IIQRQJZJLJLRBI-AWEZNQCLSA-N -1 1 359.853 4.301 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1OC(F)F ZINC000513382489 1094096794 /nfs/dbraw/zinc/09/67/94/1094096794.db2.gz FJZPCRMKNUAZKT-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM [O-]c1cccc(CN2CCOC[C@H]2c2nc3ccccc3s2)c1Cl ZINC000513520554 1094181222 /nfs/dbraw/zinc/18/12/22/1094181222.db2.gz PCCREVFGDPGQEZ-AWEZNQCLSA-N -1 1 360.866 4.229 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CC12CCCC2 ZINC000474713742 1094536948 /nfs/dbraw/zinc/53/69/48/1094536948.db2.gz OCXIYMNHFPOQIR-GOSISDBHSA-N -1 1 370.474 4.006 20 0 FIADMM CCN(c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1)C(C)C ZINC000501947782 1095013632 /nfs/dbraw/zinc/01/36/32/1095013632.db2.gz FKNHZGUSFFUMKT-UHFFFAOYSA-N -1 1 364.449 4.269 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000502710814 1095752825 /nfs/dbraw/zinc/75/28/25/1095752825.db2.gz ZCQGWCAHSZPGIF-XQHKEYJVSA-N -1 1 353.447 4.019 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)c1 ZINC000444289437 1095929284 /nfs/dbraw/zinc/92/92/84/1095929284.db2.gz PWXTXFOLYSPEQL-MNOVXSKESA-N -1 1 368.271 4.043 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000421942233 1096001540 /nfs/dbraw/zinc/00/15/40/1096001540.db2.gz ODUGKRNHLBRFJX-SNVBAGLBSA-N -1 1 365.779 4.249 20 0 FIADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273331767 1096252568 /nfs/dbraw/zinc/25/25/68/1096252568.db2.gz UKVXONCAIMXVMZ-QAPCUYQASA-N -1 1 363.816 4.177 20 0 FIADMM COC(=O)c1ccccc1-c1ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC000414647399 1096330673 /nfs/dbraw/zinc/33/06/73/1096330673.db2.gz CBVIYNIYPNRYGC-QGZVFWFLSA-N -1 1 373.449 4.102 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3sccc3[nH]2)c1 ZINC000430288230 1096560008 /nfs/dbraw/zinc/56/00/08/1096560008.db2.gz HLTBQJZUGUILKR-UHFFFAOYSA-N -1 1 351.225 4.258 20 0 FIADMM C[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1F ZINC000504429698 1096778862 /nfs/dbraw/zinc/77/88/62/1096778862.db2.gz VMSYFMQFFVZXBU-NSHDSACASA-N -1 1 357.360 4.193 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CC34CCSCC4)n2)cc(Cl)c1[O-] ZINC000515597922 1098746821 /nfs/dbraw/zinc/74/68/21/1098746821.db2.gz YBLFDXNEOCKVAE-NSHDSACASA-N -1 1 366.870 4.495 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1Cl ZINC000436148360 1098772452 /nfs/dbraw/zinc/77/24/52/1098772452.db2.gz BOGAVWAGQMIUSC-UHFFFAOYSA-N -1 1 361.797 4.261 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccccc2SC)ccc1OC(C)C ZINC000436202007 1098811814 /nfs/dbraw/zinc/81/18/14/1098811814.db2.gz WAKRMXKGRRGPIO-UHFFFAOYSA-N -1 1 367.492 4.005 20 0 FIADMM COc1c(F)cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F ZINC000515697149 1098859407 /nfs/dbraw/zinc/85/94/07/1098859407.db2.gz ONHJZUVUZNPROA-UHFFFAOYSA-N -1 1 355.406 4.008 20 0 FIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000436236983 1098861873 /nfs/dbraw/zinc/86/18/73/1098861873.db2.gz BPAUYLWNQKKRFQ-UHFFFAOYSA-N -1 1 354.353 4.053 20 0 FIADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533340933 1098974081 /nfs/dbraw/zinc/97/40/81/1098974081.db2.gz FGSKUXIBEABCDX-BDJLRTHQSA-N -1 1 350.340 4.029 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCCC[C@H]3OC)n2)cc(Cl)c1[O-] ZINC000436519805 1099076447 /nfs/dbraw/zinc/07/64/47/1099076447.db2.gz BJZNUABFVPVPAB-WCQYABFASA-N -1 1 352.818 4.167 20 0 FIADMM Cc1nc2ccccc2n1CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000436521532 1099078815 /nfs/dbraw/zinc/07/88/15/1099078815.db2.gz FPQNSJVOZWKFJI-UHFFFAOYSA-N -1 1 359.429 4.024 20 0 FIADMM CCCC(=O)Nc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436523915 1099079725 /nfs/dbraw/zinc/07/97/25/1099079725.db2.gz DSPITLCIXAQPLY-UHFFFAOYSA-N -1 1 362.429 4.214 20 0 FIADMM CCN(Cc1ccccc1Cl)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436532714 1099087354 /nfs/dbraw/zinc/08/73/54/1099087354.db2.gz GILDRUQOOZCAEA-UHFFFAOYSA-N -1 1 354.233 4.370 20 0 FIADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])c1nc(-c2ccccc2)no1 ZINC000436531197 1099087997 /nfs/dbraw/zinc/08/79/97/1099087997.db2.gz VVVPFLWXRAXDCJ-AWEZNQCLSA-N -1 1 373.412 4.129 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000436517361 1099091751 /nfs/dbraw/zinc/09/17/51/1099091751.db2.gz XLWCKYOMPRTMGC-MRXNPFEDSA-N -1 1 367.832 4.492 20 0 FIADMM CCc1nnc(-c2cccc(NC(=O)c3ccc4ccccc4c3[O-])c2)o1 ZINC000436570826 1099119944 /nfs/dbraw/zinc/11/99/44/1099119944.db2.gz AXDXOKFNGHIUPT-UHFFFAOYSA-N -1 1 359.385 4.410 20 0 FIADMM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000436591612 1099123993 /nfs/dbraw/zinc/12/39/93/1099123993.db2.gz QTXPIGLFMBXYPZ-OAHLLOKOSA-N -1 1 359.853 4.149 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000436610274 1099144663 /nfs/dbraw/zinc/14/46/63/1099144663.db2.gz UCRZMHHUXLPHOJ-FSSWDIPSSA-N -1 1 373.452 4.190 20 0 FIADMM Cc1sc(NC(=O)c2ccc([O-])cc2F)nc1-c1c[nH]c2ncccc12 ZINC000436613116 1099148218 /nfs/dbraw/zinc/14/82/18/1099148218.db2.gz OLIQGILJOBKEDN-UHFFFAOYSA-N -1 1 368.393 4.092 20 0 FIADMM CC(C)(C)c1csc(CCNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000436669861 1099200633 /nfs/dbraw/zinc/20/06/33/1099200633.db2.gz CCYHXKWFJKBRRY-UHFFFAOYSA-N -1 1 354.475 4.272 20 0 FIADMM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436672001 1099202486 /nfs/dbraw/zinc/20/24/86/1099202486.db2.gz XNAUXQPZYMGDFT-UHFFFAOYSA-N -1 1 357.353 4.313 20 0 FIADMM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436675146 1099209846 /nfs/dbraw/zinc/20/98/46/1099209846.db2.gz UUNOFVVUPUKZNH-AWEZNQCLSA-N -1 1 362.429 4.326 20 0 FIADMM COc1ccc(-c2ccc(C)c(NC(=O)c3ccc([O-])cc3F)c2)cn1 ZINC000436675143 1099210649 /nfs/dbraw/zinc/21/06/49/1099210649.db2.gz JWEUXXOKKDSQOA-UHFFFAOYSA-N -1 1 352.365 4.163 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000436684413 1099218984 /nfs/dbraw/zinc/21/89/84/1099218984.db2.gz ZYGMZIGFAHLEHF-LJQANCHMSA-N -1 1 367.832 4.413 20 0 FIADMM [O-]c1ccc(-c2nc(Cc3cc(F)cc(Br)c3)no2)c(F)c1 ZINC000436687631 1099221288 /nfs/dbraw/zinc/22/12/88/1099221288.db2.gz RVZJWYJMVQIRHV-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000436689951 1099223643 /nfs/dbraw/zinc/22/36/43/1099223643.db2.gz PGDHBTHZLQRARX-UYAOXDASSA-N -1 1 369.367 4.084 20 0 FIADMM CCOc1ccc(C2=CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000436697686 1099231423 /nfs/dbraw/zinc/23/14/23/1099231423.db2.gz MEUMNSHPMJWIRQ-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436699389 1099232646 /nfs/dbraw/zinc/23/26/46/1099232646.db2.gz QDJFBMSJIQSWTJ-UHFFFAOYSA-N -1 1 369.364 4.176 20 0 FIADMM Cc1ccc(Cl)cc1N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436703849 1099237815 /nfs/dbraw/zinc/23/78/15/1099237815.db2.gz IFICGMWQLJNUPG-UHFFFAOYSA-N -1 1 354.631 4.393 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1-c1ccc(F)cc1F ZINC000436735970 1099256702 /nfs/dbraw/zinc/25/67/02/1099256702.db2.gz DZKIJLIXTHIBRL-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436739731 1099260920 /nfs/dbraw/zinc/26/09/20/1099260920.db2.gz XDGMCZHUNAQFRK-UHFFFAOYSA-N -1 1 365.429 4.225 20 0 FIADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(Br)cc1F ZINC000516221463 1099276789 /nfs/dbraw/zinc/27/67/89/1099276789.db2.gz YQSZVIXHAXPOTP-SSDOTTSWSA-N -1 1 374.156 4.063 20 0 FIADMM CCOc1cc(-c2noc(CCC(C)C)n2)cc(Br)c1[O-] ZINC000436776214 1099295318 /nfs/dbraw/zinc/29/53/18/1099295318.db2.gz JQKDCZWUZIRCMR-UHFFFAOYSA-N -1 1 355.232 4.192 20 0 FIADMM CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436764823 1099304489 /nfs/dbraw/zinc/30/44/89/1099304489.db2.gz NRSLCJFSAHWNHD-UHFFFAOYSA-N -1 1 367.323 4.021 20 0 FIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436766063 1099305578 /nfs/dbraw/zinc/30/55/78/1099305578.db2.gz ZJHCEAOTAFFMKU-MRXNPFEDSA-N -1 1 365.351 4.397 20 0 FIADMM COc1cc(-c2noc(C34CCC(CC3)C4)n2)cc(Br)c1[O-] ZINC000445398289 1099312245 /nfs/dbraw/zinc/31/22/45/1099312245.db2.gz SCOVWQHOHQYYGW-UHFFFAOYSA-N -1 1 365.227 4.045 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000436784025 1099315644 /nfs/dbraw/zinc/31/56/44/1099315644.db2.gz JTQSFPOFGDTUPB-UHFFFAOYSA-N -1 1 351.780 4.286 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000436785370 1099318217 /nfs/dbraw/zinc/31/82/17/1099318217.db2.gz OTKRYHALOKDLHZ-UHFFFAOYSA-N -1 1 351.780 4.286 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OCCC(C)C)c2)c1 ZINC000436788209 1099319055 /nfs/dbraw/zinc/31/90/55/1099319055.db2.gz VGUHLWFVAUGHMP-UHFFFAOYSA-N -1 1 356.422 4.028 20 0 FIADMM CC(C)(NC(=O)c1ccc2ccccc2c1[O-])c1cc(C(F)(F)F)on1 ZINC000436787502 1099319525 /nfs/dbraw/zinc/31/95/25/1099319525.db2.gz WEGWUXGKUUMCTB-UHFFFAOYSA-N -1 1 364.323 4.217 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000436818510 1099329502 /nfs/dbraw/zinc/32/95/02/1099329502.db2.gz VLYDEFDRIZGYOK-HNNXBMFYSA-N -1 1 353.368 4.453 20 0 FIADMM O=C(NCCCCOCCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436807413 1099335091 /nfs/dbraw/zinc/33/50/91/1099335091.db2.gz YDOQLXMHGXUCKZ-UHFFFAOYSA-N -1 1 363.457 4.315 20 0 FIADMM CC(C)COC1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000516301791 1099347762 /nfs/dbraw/zinc/34/77/62/1099347762.db2.gz ZZSRQYQGJCZESL-INIZCTEOSA-N -1 1 360.281 4.256 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1c(F)cccc1F ZINC000436840110 1099359286 /nfs/dbraw/zinc/35/92/86/1099359286.db2.gz VZGZWYWEAJGCKR-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM Cc1c(NC(=O)c2ccc3ccccc3c2[O-])cccc1NC(=O)N(C)C ZINC000436864297 1099374417 /nfs/dbraw/zinc/37/44/17/1099374417.db2.gz NJFUPYLGXZNFAR-UHFFFAOYSA-N -1 1 363.417 4.200 20 0 FIADMM COc1ccc(F)c2[nH]c(-c3nc(-c4ccc([O-])cc4Cl)no3)cc21 ZINC000436869909 1099379415 /nfs/dbraw/zinc/37/94/15/1099379415.db2.gz FSAVYKPEHTUMGA-UHFFFAOYSA-N -1 1 359.744 4.392 20 0 FIADMM CCOc1cc(-c2noc([C@H]3C[C@H]3C(C)C)n2)cc(Br)c1[O-] ZINC000436868653 1099379942 /nfs/dbraw/zinc/37/99/42/1099379942.db2.gz BFCINQVDSQVGTA-QWRGUYRKSA-N -1 1 367.243 4.363 20 0 FIADMM Cn1cc(Oc2ccccc2-c2nc(-c3ccc([O-])cc3Cl)no2)cn1 ZINC000436873756 1099386622 /nfs/dbraw/zinc/38/66/22/1099386622.db2.gz QVSAEMXTJSUOPZ-UHFFFAOYSA-N -1 1 368.780 4.288 20 0 FIADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436895110 1099391689 /nfs/dbraw/zinc/39/16/89/1099391689.db2.gz VOSSJXMASGUKAF-SWLSCSKDSA-N -1 1 360.251 4.173 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3ccc(C(C)C)cc3)no2)c1 ZINC000436895169 1099392714 /nfs/dbraw/zinc/39/27/14/1099392714.db2.gz UAUCERAPHWLHJR-UHFFFAOYSA-N -1 1 351.406 4.115 20 0 FIADMM Cc1ccc(C)c(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000075942674 1099395766 /nfs/dbraw/zinc/39/57/66/1099395766.db2.gz ZTHUEFAAIZFWEK-UHFFFAOYSA-N -1 1 352.434 4.136 20 0 FIADMM [O-]c1c(-c2nc(-c3cccnc3N3CCCC3)no2)ccc2ccccc21 ZINC000436905161 1099413087 /nfs/dbraw/zinc/41/30/87/1099413087.db2.gz ZNMIOQRNGPTZMA-UHFFFAOYSA-N -1 1 358.401 4.258 20 0 FIADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436910231 1099417781 /nfs/dbraw/zinc/41/77/81/1099417781.db2.gz OZQBFIPSPCTECY-UHFFFAOYSA-N -1 1 359.731 4.216 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2Br)[C@@H]2CCC[C@@H]21 ZINC000629374938 1099421204 /nfs/dbraw/zinc/42/12/04/1099421204.db2.gz XENIMPMUJYRCIK-UMVBOHGHSA-N -1 1 372.690 4.178 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(Br)cn1 ZINC000436900024 1099425403 /nfs/dbraw/zinc/42/54/03/1099425403.db2.gz ATIUCJWKVPAJRE-LLVKDONJSA-N -1 1 371.234 4.194 20 0 FIADMM O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)C(=O)c1ccc([O-])cc1 ZINC000436935232 1099447210 /nfs/dbraw/zinc/44/72/10/1099447210.db2.gz VXKGISMWIOLFMR-NRFANRHFSA-N -1 1 357.409 4.046 20 0 FIADMM COc1ccc2cccc(Cc3noc(-c4cc(F)ccc4[O-])n3)c2c1 ZINC000436937931 1099451053 /nfs/dbraw/zinc/45/10/53/1099451053.db2.gz HRDZWXHOEDSYAV-UHFFFAOYSA-N -1 1 350.349 4.334 20 0 FIADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436948345 1099458690 /nfs/dbraw/zinc/45/86/90/1099458690.db2.gz GUHPQOOOMNAFFX-IBGZPJMESA-N -1 1 374.278 4.349 20 0 FIADMM CO[C@H](C)c1nc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)cs1 ZINC000436957003 1099473385 /nfs/dbraw/zinc/47/33/85/1099473385.db2.gz VFNIZUVUOHFYGH-LLVKDONJSA-N -1 1 367.430 4.350 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000436991830 1099496589 /nfs/dbraw/zinc/49/65/89/1099496589.db2.gz UQKGFIJSESLGJZ-LJQANCHMSA-N -1 1 361.441 4.019 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(Br)c(C)c3)no2)c([O-])c1 ZINC000436995106 1099499268 /nfs/dbraw/zinc/49/92/68/1099499268.db2.gz GZRWZZTUQDUTHQ-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000029997818 1099502533 /nfs/dbraw/zinc/50/25/33/1099502533.db2.gz SMDLZRQWLKAMJJ-WBVHZDCISA-N -1 1 372.538 4.343 20 0 FIADMM CCOc1ccc(-c2nc(CN3CCC[C@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000263142197 1099766073 /nfs/dbraw/zinc/76/60/73/1099766073.db2.gz OLEFKLIKZQVRKN-OAHLLOKOSA-N -1 1 374.506 4.286 20 0 FIADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)o1 ZINC000263521063 1099799517 /nfs/dbraw/zinc/79/95/17/1099799517.db2.gz RAWQJFRDXSFGBP-UHFFFAOYSA-N -1 1 352.228 4.004 20 0 FIADMM O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([O-])cc1F ZINC000437410369 1099901782 /nfs/dbraw/zinc/90/17/82/1099901782.db2.gz LWNFFMQOJAHUJA-AULYBMBSSA-N -1 1 353.315 4.226 20 0 FIADMM C[C@H]1[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCN1c1ccccc1 ZINC000517057392 1100006233 /nfs/dbraw/zinc/00/62/33/1100006233.db2.gz PRMXDDIQZQERSQ-SWLSCSKDSA-N -1 1 355.825 4.478 20 0 FIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)C(C)(C)C)cc3)ccc2O1 ZINC000425953941 1100479540 /nfs/dbraw/zinc/47/95/40/1100479540.db2.gz MACSLGXJUAQLHW-CYBMUJFWSA-N -1 1 373.474 4.040 20 0 FIADMM COc1ccc(C(C)=C([O-])Nc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000517651418 1100573412 /nfs/dbraw/zinc/57/34/12/1100573412.db2.gz UCZJMMAOYJDDJW-LLVKDONJSA-N -1 1 373.865 4.031 20 0 FIADMM CN(CCCOc1ccc(F)cc1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000517750980 1100636566 /nfs/dbraw/zinc/63/65/66/1100636566.db2.gz ZCJYPVISKJVMPC-KRWDZBQOSA-N -1 1 369.795 4.145 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000438753510 1100897422 /nfs/dbraw/zinc/89/74/22/1100897422.db2.gz NIEOJGJLWAGFPI-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000438774642 1100909286 /nfs/dbraw/zinc/90/92/86/1100909286.db2.gz KDIISXMBYMLDPH-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1C(F)(F)F ZINC000438777429 1100912162 /nfs/dbraw/zinc/91/21/62/1100912162.db2.gz KLMXKZZKBJGFPP-UHFFFAOYSA-N -1 1 369.286 4.232 20 0 FIADMM CSCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000438778701 1100913336 /nfs/dbraw/zinc/91/33/36/1100913336.db2.gz RNDVGYOCWKMARA-UHFFFAOYSA-N -1 1 363.504 4.189 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000509567097 1100965367 /nfs/dbraw/zinc/96/53/67/1100965367.db2.gz IELLWXPKDAGVFG-UHFFFAOYSA-N -1 1 373.499 4.405 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1C ZINC000439256289 1101293639 /nfs/dbraw/zinc/29/36/39/1101293639.db2.gz HUTGSXRVZVTXMJ-UHFFFAOYSA-N -1 1 373.503 4.240 20 0 FIADMM O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)[N-]OCC(F)F ZINC000760148816 1101410987 /nfs/dbraw/zinc/41/09/87/1101410987.db2.gz SEUKYCHGCLKZNS-UHFFFAOYSA-N -1 1 362.351 4.220 20 0 FIADMM O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)[N-]OCC(F)F ZINC000760160701 1101472768 /nfs/dbraw/zinc/47/27/68/1101472768.db2.gz QKJMANNLXXGODO-UHFFFAOYSA-N -1 1 368.449 4.492 20 0 FIADMM CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])no1 ZINC000179646898 1101561176 /nfs/dbraw/zinc/56/11/76/1101561176.db2.gz NDLBECKWLYSQNJ-INIZCTEOSA-N -1 1 351.406 4.029 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1cccc2ccccc21 ZINC000439572801 1101575987 /nfs/dbraw/zinc/57/59/87/1101575987.db2.gz QPEOAEVBWJFWLO-UHFFFAOYSA-N -1 1 363.385 4.285 20 0 FIADMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1c(F)ccc([O-])c1F ZINC000537262801 1101605989 /nfs/dbraw/zinc/60/59/89/1101605989.db2.gz IFULXFIPZJWGLS-SECBINFHSA-N -1 1 359.294 4.050 20 0 FIADMM COC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1ccco1 ZINC001126656572 1101740253 /nfs/dbraw/zinc/74/02/53/1101740253.db2.gz ZPMDGUCAKDQNJW-NSHDSACASA-N -1 1 364.175 4.182 20 0 FIADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506691620 1101796427 /nfs/dbraw/zinc/79/64/27/1101796427.db2.gz XEFJMFJCFFTBPZ-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2o1 ZINC000506706515 1101836691 /nfs/dbraw/zinc/83/66/91/1101836691.db2.gz HHTAZOBUYACTDM-UHFFFAOYSA-N -1 1 366.398 4.001 20 0 FIADMM CC(C)CC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000439880670 1101869515 /nfs/dbraw/zinc/86/95/15/1101869515.db2.gz SRYVBEGMMRDVJP-UHFFFAOYSA-N -1 1 374.506 4.498 20 0 FIADMM CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000016601595 1101896120 /nfs/dbraw/zinc/89/61/20/1101896120.db2.gz KOOBIFIDRMXEPZ-HNNXBMFYSA-N -1 1 374.506 4.023 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)cc(Cl)c1[O-] ZINC000426532313 1101909393 /nfs/dbraw/zinc/90/93/93/1101909393.db2.gz VTHJDVCALMNROQ-SNVBAGLBSA-N -1 1 358.246 4.186 20 0 FIADMM CC(C)(CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1=CCCC1 ZINC001625985611 1101933449 /nfs/dbraw/zinc/93/34/49/1101933449.db2.gz JINCHSCIVASUQD-UHFFFAOYSA-N -1 1 353.418 4.331 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000475820942 1101962521 /nfs/dbraw/zinc/96/25/21/1101962521.db2.gz XKEFKLLKYHIEGR-UHFFFAOYSA-N -1 1 355.818 4.181 20 0 FIADMM C=CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000008163333 1102043075 /nfs/dbraw/zinc/04/30/75/1102043075.db2.gz GEBMPRCIRRVZLT-UHFFFAOYSA-N -1 1 361.850 4.402 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)ccc2o1 ZINC000476252448 1102063613 /nfs/dbraw/zinc/06/36/13/1102063613.db2.gz BLCIBHWYLNOMAU-UHFFFAOYSA-N -1 1 370.352 4.264 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@@H]1c1ccccc1 ZINC000440196343 1102088443 /nfs/dbraw/zinc/08/84/43/1102088443.db2.gz REAINWFTXLJACB-BBRMVZONSA-N -1 1 374.278 4.421 20 0 FIADMM O=C(CCCOc1cccc2ccccc21)Nc1nc(-c2ccco2)n[nH]1 ZINC000060615278 1102128322 /nfs/dbraw/zinc/12/83/22/1102128322.db2.gz OEDMPNVFJHTCKV-UHFFFAOYSA-N -1 1 362.389 4.016 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2csc3ccccc32)n[nH]c1-c1ccccc1 ZINC000506832195 1102229945 /nfs/dbraw/zinc/22/99/45/1102229945.db2.gz JDPCQLMALALIPK-UHFFFAOYSA-N -1 1 369.471 4.401 20 0 FIADMM CC[C@@H](C)[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000426647016 1102243100 /nfs/dbraw/zinc/24/31/00/1102243100.db2.gz LUEDHTPHYVJCPW-BDJLRTHQSA-N -1 1 366.255 4.298 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006553330 1102308843 /nfs/dbraw/zinc/30/88/43/1102308843.db2.gz LIAFQPQBDVBJOE-UHFFFAOYSA-N -1 1 368.188 4.396 20 0 FIADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897438069 1102430383 /nfs/dbraw/zinc/43/03/83/1102430383.db2.gz VZILODDBCVYLBF-BONVTDFDSA-N -1 1 353.340 4.054 20 0 FIADMM CCCCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(C)c1 ZINC000121935039 1102488813 /nfs/dbraw/zinc/48/88/13/1102488813.db2.gz GCYSSDXOJOZTNM-UHFFFAOYSA-N -1 1 356.422 4.090 20 0 FIADMM O=C(CCSCc1ccccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000473677858 1102490156 /nfs/dbraw/zinc/49/01/56/1102490156.db2.gz QWYHKWWRCRUIOY-UHFFFAOYSA-N -1 1 353.447 4.044 20 0 FIADMM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000122021519 1102496571 /nfs/dbraw/zinc/49/65/71/1102496571.db2.gz BRQFJIHJCBGUQQ-UHFFFAOYSA-N -1 1 374.755 4.173 20 0 FIADMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000060509844 1102564880 /nfs/dbraw/zinc/56/48/80/1102564880.db2.gz VRJJLJMQZUHQSF-SSDOTTSWSA-N -1 1 356.321 4.026 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000532622305 1102597091 /nfs/dbraw/zinc/59/70/91/1102597091.db2.gz XTPJNXFFYIMLIG-UHFFFAOYSA-N -1 1 356.397 4.302 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000532622295 1102597187 /nfs/dbraw/zinc/59/71/87/1102597187.db2.gz XAQBKSYCIRJCGI-NWDGAFQWSA-N -1 1 355.287 4.172 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000551054932 1102867612 /nfs/dbraw/zinc/86/76/12/1102867612.db2.gz FWZDNTMMUCVPSY-HNNXBMFYSA-N -1 1 359.294 4.289 20 0 FIADMM Cc1c(F)cccc1-c1ccc(CN[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426697153 1102927088 /nfs/dbraw/zinc/92/70/88/1102927088.db2.gz RWJHFUKPIUKAJA-LJQANCHMSA-N -1 1 353.393 4.180 20 0 FIADMM O=C([O-])c1coc(CNCc2cccc(OCCCc3ccccc3)c2)c1 ZINC000426688766 1102934043 /nfs/dbraw/zinc/93/40/43/1102934043.db2.gz RXMQUVWOKNINCD-UHFFFAOYSA-N -1 1 365.429 4.279 20 0 FIADMM O=C([O-])[C@@H](NCc1ccccc1Br)c1cccc(Cl)c1 ZINC000426721234 1102941160 /nfs/dbraw/zinc/94/11/60/1102941160.db2.gz ASNUBPLQMOFYRD-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM COc1cc(Cl)c(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1Cl ZINC000426711583 1102947211 /nfs/dbraw/zinc/94/72/11/1102947211.db2.gz PJUAOUSXJMCLIJ-MRXNPFEDSA-N -1 1 354.233 4.226 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426713151 1102948061 /nfs/dbraw/zinc/94/80/61/1102948061.db2.gz BVLQXODBTXCFGN-HNNXBMFYSA-N -1 1 354.233 4.226 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000426741663 1102957771 /nfs/dbraw/zinc/95/77/71/1102957771.db2.gz GSIGCBCNRBWEMC-BZNIZROVSA-N -1 1 355.331 4.396 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(F)(F)F)c1 ZINC000551188095 1102960007 /nfs/dbraw/zinc/96/00/07/1102960007.db2.gz ACCBDTOMNRYHAD-UHFFFAOYSA-N -1 1 373.396 4.440 20 0 FIADMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000614844011 1102970342 /nfs/dbraw/zinc/97/03/42/1102970342.db2.gz QBUGYACQZRDNOY-UHFFFAOYSA-N -1 1 374.437 4.210 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000426756289 1102971133 /nfs/dbraw/zinc/97/11/33/1102971133.db2.gz JDHBWUJJAOCCCC-BLLLJJGKSA-N -1 1 358.488 4.423 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000426756292 1102972173 /nfs/dbraw/zinc/97/21/73/1102972173.db2.gz JDHBWUJJAOCCCC-WBMJQRKESA-N -1 1 358.488 4.423 20 0 FIADMM Cc1cc(C)cc([C@@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000426760791 1102974098 /nfs/dbraw/zinc/97/40/98/1102974098.db2.gz UWOQAPPREJJTIZ-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(C)c(Br)s2)o1 ZINC000426769296 1102977558 /nfs/dbraw/zinc/97/75/58/1102977558.db2.gz HQPCSAWUIHGFGE-NSHDSACASA-N -1 1 358.257 4.026 20 0 FIADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(Cl)c1 ZINC000426786741 1102990940 /nfs/dbraw/zinc/99/09/40/1102990940.db2.gz YDMIURXIGLJMBO-MRXNPFEDSA-N -1 1 354.233 4.226 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)C)cc2)c1OC ZINC000426801335 1102999575 /nfs/dbraw/zinc/99/95/75/1102999575.db2.gz QYGMCMDQNBNYKV-GOSISDBHSA-N -1 1 357.450 4.133 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Br)ccc1Cl)c1ccsc1 ZINC000426829421 1103004158 /nfs/dbraw/zinc/00/41/58/1103004158.db2.gz PDBUTNRIQDUPHM-GFCCVEGCSA-N -1 1 360.660 4.080 20 0 FIADMM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)ccc1SC ZINC000426829905 1103004312 /nfs/dbraw/zinc/00/43/12/1103004312.db2.gz SRDHGPDURPFEOQ-HNNXBMFYSA-N -1 1 367.417 4.001 20 0 FIADMM Cc1ccc(F)c(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426814081 1103008727 /nfs/dbraw/zinc/00/87/27/1103008727.db2.gz CFROQVLPFMTQCG-INIZCTEOSA-N -1 1 366.230 4.202 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2Cl)c(F)c1 ZINC001211968328 1103009621 /nfs/dbraw/zinc/00/96/21/1103009621.db2.gz JJWQHHSZCMJGTK-VIFPVBQESA-N -1 1 363.788 4.105 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3sccc3OC(F)F)n2)s1 ZINC000105372536 1103017943 /nfs/dbraw/zinc/01/79/43/1103017943.db2.gz VBUZZOKZNDUXAJ-UHFFFAOYSA-N -1 1 373.431 4.490 20 0 FIADMM CCc1ccc([C@@H](NCc2cc(F)ccc2Br)C(=O)[O-])cc1 ZINC000426822725 1103019135 /nfs/dbraw/zinc/01/91/35/1103019135.db2.gz FIBVPKGOYDLPQV-MRXNPFEDSA-N -1 1 366.230 4.066 20 0 FIADMM CC(C)Cn1ncc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1C(F)F ZINC000760267317 1103069414 /nfs/dbraw/zinc/06/94/14/1103069414.db2.gz DKRFILLLVDXNAI-BQYQJAHWSA-N -1 1 373.400 4.028 20 0 FIADMM COc1ccc2c(c1)CCC[C@]2(NCc1cc2ccccc2s1)C(=O)[O-] ZINC000551420852 1103201718 /nfs/dbraw/zinc/20/17/18/1103201718.db2.gz OLAQNRQKXDQHLR-OAQYLSRUSA-N -1 1 367.470 4.316 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C3CC3)ccc2C)c1 ZINC000477227326 1103259880 /nfs/dbraw/zinc/25/98/80/1103259880.db2.gz FVPGLJOXQNZAGH-OAHLLOKOSA-N -1 1 372.490 4.089 20 0 FIADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000427115433 1103270600 /nfs/dbraw/zinc/27/06/00/1103270600.db2.gz RUPUNZKIEUIVET-AWEZNQCLSA-N -1 1 350.340 4.173 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1 ZINC000427334256 1103454358 /nfs/dbraw/zinc/45/43/58/1103454358.db2.gz HTGDVYYHFQIPQZ-UHFFFAOYSA-N -1 1 370.430 4.044 20 0 FIADMM CCOc1cc(-c2noc(-c3cnc(C4CC4)s3)n2)cc(Cl)c1[O-] ZINC000517009344 1103624532 /nfs/dbraw/zinc/62/45/32/1103624532.db2.gz NBXWIKRVKLYYPX-UHFFFAOYSA-N -1 1 363.826 4.495 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1cccc(F)c1 ZINC000005084096 1103720650 /nfs/dbraw/zinc/72/06/50/1103720650.db2.gz YMIRAZVRJSMXSU-UHFFFAOYSA-N -1 1 373.434 4.003 20 0 FIADMM O=c1[n-]c(-c2nnc(-c3ccccc3)o2)nc2cc(C(F)(F)F)ccc12 ZINC000477665764 1103763921 /nfs/dbraw/zinc/76/39/21/1103763921.db2.gz QMJAWSFFPADEAS-UHFFFAOYSA-N -1 1 358.279 4.071 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccccc1OC(F)(F)F ZINC000142061325 1103790107 /nfs/dbraw/zinc/79/01/07/1103790107.db2.gz BWLRITGOKCQLPN-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM CCc1nc(SCc2cc(Br)ccc2F)[n-]c(=O)c1C ZINC000519714088 1103816170 /nfs/dbraw/zinc/81/61/70/1103816170.db2.gz RTLODVGTEGMPGN-UHFFFAOYSA-N -1 1 357.248 4.247 20 0 FIADMM COC(=O)c1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450670 1103869057 /nfs/dbraw/zinc/86/90/57/1103869057.db2.gz ZZIIHRJCMUEGJC-WTKPLQERSA-N -1 1 356.765 4.053 20 0 FIADMM Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458753 1103928251 /nfs/dbraw/zinc/92/82/51/1103928251.db2.gz ZABMHXUKCBUFKX-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)cc1 ZINC000520017944 1104025825 /nfs/dbraw/zinc/02/58/25/1104025825.db2.gz KIPIHZUQDYCISM-UHFFFAOYSA-N -1 1 362.476 4.229 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000461104676 1104102866 /nfs/dbraw/zinc/10/28/66/1104102866.db2.gz ACQOLLJKDPZHLT-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000461129062 1104125962 /nfs/dbraw/zinc/12/59/62/1104125962.db2.gz MQPTVCUZIOCLSP-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1C ZINC000025741164 1104141188 /nfs/dbraw/zinc/14/11/88/1104141188.db2.gz UETIVGIVMWFILP-UHFFFAOYSA-N -1 1 360.479 4.089 20 0 FIADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000520397645 1104322219 /nfs/dbraw/zinc/32/22/19/1104322219.db2.gz MWPCNPRKWDARDO-CYBMUJFWSA-N -1 1 352.365 4.210 20 0 FIADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)cc1 ZINC000331145537 1104704642 /nfs/dbraw/zinc/70/46/42/1104704642.db2.gz IBGYOVPHVNFZNU-YOEHRIQHSA-N -1 1 367.493 4.115 20 0 FIADMM O=S(=O)([N-]c1ccsc1Cl)c1ccc(Br)s1 ZINC000189732173 1104840651 /nfs/dbraw/zinc/84/06/51/1104840651.db2.gz ZKFILZXUPNXOJQ-UHFFFAOYSA-N -1 1 358.691 4.026 20 0 FIADMM CC(C)c1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)no1 ZINC000189825458 1104846803 /nfs/dbraw/zinc/84/68/03/1104846803.db2.gz HWCKZQQSIZSXKN-UHFFFAOYSA-N -1 1 362.842 4.146 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000032097955 1105141502 /nfs/dbraw/zinc/14/15/02/1105141502.db2.gz RDCXZGLSYASEGF-AWEZNQCLSA-N -1 1 372.494 4.327 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427641273 1105204107 /nfs/dbraw/zinc/20/41/07/1105204107.db2.gz FXZFCTQSPCROMI-UHFFFAOYSA-N -1 1 352.459 4.420 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000427658581 1105239905 /nfs/dbraw/zinc/23/99/05/1105239905.db2.gz ZSOJZCMRHABTEQ-BZNIZROVSA-N -1 1 350.340 4.029 20 0 FIADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000427811398 1105284631 /nfs/dbraw/zinc/28/46/31/1105284631.db2.gz JHFROFSLGASOFF-AWEZNQCLSA-N -1 1 350.340 4.173 20 0 FIADMM CN(Cc1cccc([O-])c1Cl)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000508009530 1105294291 /nfs/dbraw/zinc/29/42/91/1105294291.db2.gz QBOMGFNDQYMSGY-IBGZPJMESA-N -1 1 359.832 4.140 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000508100335 1105324474 /nfs/dbraw/zinc/32/44/74/1105324474.db2.gz KRTHFYPHXKMGLV-DZZUKKPASA-N -1 1 372.262 4.473 20 0 FIADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000428019650 1105341492 /nfs/dbraw/zinc/34/14/92/1105341492.db2.gz ZYEVWGRFVGAXPN-HUUCEWRRSA-N -1 1 364.367 4.214 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc2ccccc2cc1[O-] ZINC000216627114 1106789037 /nfs/dbraw/zinc/78/90/37/1106789037.db2.gz IAIQHSKRSIRRTL-QFIPXVFZSA-N -1 1 354.409 4.460 20 0 FIADMM CC(C)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000530146340 1106863224 /nfs/dbraw/zinc/86/32/24/1106863224.db2.gz DRWSSTPEQYFSGW-UHFFFAOYSA-N -1 1 351.855 4.294 20 0 FIADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)cc(Br)c1 ZINC000530172802 1106902720 /nfs/dbraw/zinc/90/27/20/1106902720.db2.gz AOQDAKBOTNAYME-UWVGGRQHSA-N -1 1 360.679 4.176 20 0 FIADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(CCc2ccccc2)n1 ZINC000530174451 1106903981 /nfs/dbraw/zinc/90/39/81/1106903981.db2.gz YBGXNFSFDYGRNX-SCAQPMJSSA-N -1 1 358.507 4.002 20 0 FIADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc(Br)ccc1Cl ZINC000530177684 1106905516 /nfs/dbraw/zinc/90/55/16/1106905516.db2.gz XVPZCUXPRHJYCE-UWVGGRQHSA-N -1 1 360.679 4.176 20 0 FIADMM CCOc1ccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301341429 1106998280 /nfs/dbraw/zinc/99/82/80/1106998280.db2.gz GBOPGQXFAMQDDM-OAHLLOKOSA-N -1 1 364.449 4.433 20 0 FIADMM O=c1[n-]c(Oc2ccc(F)cc2Cl)nc2c1cnn2-c1ccccc1 ZINC000301342180 1106998390 /nfs/dbraw/zinc/99/83/90/1106998390.db2.gz JBMAISDMUWHHMZ-UHFFFAOYSA-N -1 1 356.744 4.106 20 0 FIADMM COc1ccc(Cl)cc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301366839 1107005449 /nfs/dbraw/zinc/00/54/49/1107005449.db2.gz NYEHRQNJEKAEJS-UHFFFAOYSA-N -1 1 370.840 4.135 20 0 FIADMM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1Cl ZINC000451308959 1107017602 /nfs/dbraw/zinc/01/76/02/1107017602.db2.gz WESYRDWUDZEEJC-IUCAKERBSA-N -1 1 361.838 4.049 20 0 FIADMM Cc1nc(-c2ccc(NCCCc3c[nH]c4ccccc34)nc2)[n-]c(=O)c1C ZINC000301403908 1107020362 /nfs/dbraw/zinc/02/03/62/1107020362.db2.gz SGJDRACHTWTNIM-UHFFFAOYSA-N -1 1 373.460 4.387 20 0 FIADMM CC(C)c1nsc([N-]c2cnn(-c3ncc(Cl)cc3Cl)c2)n1 ZINC000301944266 1107222484 /nfs/dbraw/zinc/22/24/84/1107222484.db2.gz AHAIPIPDOHTLRI-UHFFFAOYSA-N -1 1 355.254 4.293 20 0 FIADMM Cc1nc(-c2ccc(N(C)[C@@H](C)c3ccc(F)c(F)c3)nc2)[n-]c(=O)c1C ZINC000301998780 1107246349 /nfs/dbraw/zinc/24/63/49/1107246349.db2.gz UWPSRHSBOWUXAZ-ZDUSSCGKSA-N -1 1 370.403 4.337 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CC12CCCC2 ZINC000531092048 1107521791 /nfs/dbraw/zinc/52/17/91/1107521791.db2.gz OFQWULDSDXWCKI-SFHVURJKSA-N -1 1 370.474 4.006 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2s1 ZINC000614742350 1107570222 /nfs/dbraw/zinc/57/02/22/1107570222.db2.gz FCYSBDASIVVDFB-UHFFFAOYSA-N -1 1 352.868 4.367 20 0 FIADMM CSCCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000609898943 1107593535 /nfs/dbraw/zinc/59/35/35/1107593535.db2.gz JYTSECLIIKYGHQ-UHFFFAOYSA-N -1 1 362.731 4.068 20 0 FIADMM CC(C)c1ccc(OC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000531190158 1107622281 /nfs/dbraw/zinc/62/22/81/1107622281.db2.gz OOVJHWZVODDHAR-UHFFFAOYSA-N -1 1 357.425 4.338 20 0 FIADMM CCc1csc([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)n1 ZINC000113440345 1107945337 /nfs/dbraw/zinc/94/53/37/1107945337.db2.gz NJNXYEWVMBXNRR-LLVKDONJSA-N -1 1 350.871 4.084 20 0 FIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3C)c2)n1 ZINC000523286641 1108060194 /nfs/dbraw/zinc/06/01/94/1108060194.db2.gz FUXCOGBUNVRPPH-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)C3CCC(C(F)(F)F)CC3)[nH][n-]2)s1 ZINC000444822123 1108194040 /nfs/dbraw/zinc/19/40/40/1108194040.db2.gz GVGMUTFTEJVGST-UHFFFAOYSA-N -1 1 357.401 4.176 20 0 FIADMM CCOc1cc(C(=O)N2CCc3cccc(F)c3[C@H]2C)cc(Cl)c1[O-] ZINC000546563431 1108271238 /nfs/dbraw/zinc/27/12/38/1108271238.db2.gz BGPFBLQKWLRMQJ-LLVKDONJSA-N -1 1 363.816 4.343 20 0 FIADMM CC(=C([O-])Nc1nc(-c2ccccc2Cl)ns1)c1cccc(C)c1 ZINC000523503444 1108285826 /nfs/dbraw/zinc/28/58/26/1108285826.db2.gz WAJWWJXAICCYFE-LBPRGKRZSA-N -1 1 357.866 4.331 20 0 FIADMM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000445272747 1108592548 /nfs/dbraw/zinc/59/25/48/1108592548.db2.gz FJHPXVIHIPXSGI-GFCCVEGCSA-N -1 1 369.396 4.276 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(F)ccc3F)n2)cc(Cl)c1[O-] ZINC000445413753 1108722674 /nfs/dbraw/zinc/72/26/74/1108722674.db2.gz VVHBLVHCKCAHNV-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM COc1cc(-c2noc(C3(C)CCCC3)n2)cc(Br)c1[O-] ZINC000445406549 1108732320 /nfs/dbraw/zinc/73/23/20/1108732320.db2.gz XCCRPMIVXFULLF-UHFFFAOYSA-N -1 1 353.216 4.045 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc(Cl)c1[O-] ZINC000445422558 1108734803 /nfs/dbraw/zinc/73/48/03/1108734803.db2.gz OHAIHASJGAHRMB-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000532267109 1108737568 /nfs/dbraw/zinc/73/75/68/1108737568.db2.gz COMRVVPEGKCCPO-UHFFFAOYSA-N -1 1 366.179 4.276 20 0 FIADMM O=C(CSCc1cc(-c2cccs2)on1)Nc1ccc(F)cc1[O-] ZINC000532266666 1108737611 /nfs/dbraw/zinc/73/76/11/1108737611.db2.gz OETOTDYLECMJFW-UHFFFAOYSA-N -1 1 364.423 4.120 20 0 FIADMM COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)cc3[O-])s2)cc1 ZINC000532267129 1108738347 /nfs/dbraw/zinc/73/83/47/1108738347.db2.gz IKXIFDZXZLXJAJ-UHFFFAOYSA-N -1 1 358.394 4.224 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000532266680 1108738521 /nfs/dbraw/zinc/73/85/21/1108738521.db2.gz PUJAFVCHRLULON-UHFFFAOYSA-N -1 1 354.259 4.164 20 0 FIADMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])c(Br)c1 ZINC000532266541 1108738636 /nfs/dbraw/zinc/73/86/36/1108738636.db2.gz KBGNVDXTFCGJHK-JTQLQIEISA-N -1 1 368.202 4.008 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCCOc2ccccc2Cl)[n-]1 ZINC000524032215 1108764022 /nfs/dbraw/zinc/76/40/22/1108764022.db2.gz GLWWBCMSDMLSBR-UHFFFAOYSA-N -1 1 350.749 4.026 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3nc4ccccc4s3)n2)c(Cl)c1 ZINC000445443676 1108766715 /nfs/dbraw/zinc/76/67/15/1108766715.db2.gz HIXTXUVPNCBTLQ-UHFFFAOYSA-N -1 1 357.822 4.491 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccc(F)cc3Cl)n2)c(Cl)c1 ZINC000445443416 1108766866 /nfs/dbraw/zinc/76/68/66/1108766866.db2.gz GOXACCUJGRUJBS-UHFFFAOYSA-N -1 1 355.152 4.467 20 0 FIADMM C[C@@H](NC(=O)CC1CCCCC1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443243 1108768618 /nfs/dbraw/zinc/76/86/18/1108768618.db2.gz FXEQRDAAUCDKQJ-LLVKDONJSA-N -1 1 363.845 4.243 20 0 FIADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445446755 1108772341 /nfs/dbraw/zinc/77/23/41/1108772341.db2.gz FRPPKQOCSIUETC-MEBBXXQBSA-N -1 1 369.808 4.357 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(Br)c(F)c3)n2)c(F)c1 ZINC000445454983 1108788408 /nfs/dbraw/zinc/78/84/08/1108788408.db2.gz BSEIRECRHVIZBR-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM CC(=O)c1ccc(OCCCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445457761 1108790640 /nfs/dbraw/zinc/79/06/40/1108790640.db2.gz ZOEXVNQNYPYOEA-UHFFFAOYSA-N -1 1 372.808 4.310 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)c(Br)s1 ZINC000445461698 1108794277 /nfs/dbraw/zinc/79/42/77/1108794277.db2.gz HQRHKDAUEZWTFU-UHFFFAOYSA-N -1 1 355.188 4.381 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1-c1ccc(F)cc1F ZINC000445481664 1108800635 /nfs/dbraw/zinc/80/06/35/1108800635.db2.gz PPNRMPHTAAWWJY-UHFFFAOYSA-N -1 1 372.306 4.021 20 0 FIADMM CCOc1c(Cl)cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445484056 1108805807 /nfs/dbraw/zinc/80/58/07/1108805807.db2.gz UXIUWRJTKOYLMP-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OCc4cccnc4)c3)n2)cc1F ZINC000445476885 1108813489 /nfs/dbraw/zinc/81/34/89/1108813489.db2.gz JLQOXSGYHCJFMK-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CC(C)CC(=O)Nc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1F ZINC000445476788 1108814453 /nfs/dbraw/zinc/81/44/53/1108814453.db2.gz IBPMTEHJTDWVRT-UHFFFAOYSA-N -1 1 373.359 4.372 20 0 FIADMM Cc1cc(C)n(-c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)n1 ZINC000445476407 1108815466 /nfs/dbraw/zinc/81/54/66/1108815466.db2.gz CAWJEDYDXUBAIT-UHFFFAOYSA-N -1 1 350.353 4.051 20 0 FIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000445728080 1108966927 /nfs/dbraw/zinc/96/69/27/1108966927.db2.gz XZXUVPQXEBJSLN-JTQLQIEISA-N -1 1 364.216 4.249 20 0 FIADMM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000525064040 1109246388 /nfs/dbraw/zinc/24/63/88/1109246388.db2.gz HKLUCZFUZIRYQK-HZPDHXFCSA-N -1 1 372.490 4.252 20 0 FIADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000447061284 1109427074 /nfs/dbraw/zinc/42/70/74/1109427074.db2.gz VVXQYKDPHZLWNZ-ZDUSSCGKSA-N -1 1 362.267 4.166 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cc(F)ccc1F ZINC000447275572 1109501788 /nfs/dbraw/zinc/50/17/88/1109501788.db2.gz VORUURLCZNDIIN-UHFFFAOYSA-N -1 1 353.321 4.165 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2cncc(OCc3ccccc3)c2)n1 ZINC000447309648 1109502039 /nfs/dbraw/zinc/50/20/39/1109502039.db2.gz PSDBBILJVHEURL-UHFFFAOYSA-N -1 1 353.447 4.011 20 0 FIADMM CN(Cc1ccccc1NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000447701384 1109624918 /nfs/dbraw/zinc/62/49/18/1109624918.db2.gz QZMRPCBNBHRPOU-UHFFFAOYSA-N -1 1 350.393 4.420 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)ccc2[nH]1 ZINC000447789945 1109645590 /nfs/dbraw/zinc/64/55/90/1109645590.db2.gz XDEDEDLINXENTL-UHFFFAOYSA-N -1 1 370.352 4.018 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1 ZINC000448130450 1109727761 /nfs/dbraw/zinc/72/77/61/1109727761.db2.gz WYQRCZZTWLWCST-UHFFFAOYSA-N -1 1 361.463 4.176 20 0 FIADMM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539321 1110287088 /nfs/dbraw/zinc/28/70/88/1110287088.db2.gz QQOGYCZLEWFHJM-NSHDSACASA-N -1 1 371.868 4.366 20 0 FIADMM Cc1nc(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[n-]c(=O)c1C ZINC000538515860 1111176511 /nfs/dbraw/zinc/17/65/11/1111176511.db2.gz VDQCZERTYFFHQH-JTQLQIEISA-N -1 1 362.842 4.356 20 0 FIADMM Cc1nc(SCc2ccc(OCc3ccncc3)cc2)[n-]c(=O)c1C ZINC000538517099 1111177365 /nfs/dbraw/zinc/17/73/65/1111177365.db2.gz HMAKYGKJRJLGJD-UHFFFAOYSA-N -1 1 353.447 4.065 20 0 FIADMM Cc1nc(C)c(C(=O)Nc2c([O-])cc(Br)cc2Cl)s1 ZINC000552022739 1111230297 /nfs/dbraw/zinc/23/02/97/1111230297.db2.gz VRMGBRYLOPFIEB-UHFFFAOYSA-N -1 1 361.648 4.134 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc2oc3ccccc3c2c1 ZINC000538703080 1111253615 /nfs/dbraw/zinc/25/36/15/1111253615.db2.gz YFZDBPZMZPUUFT-UHFFFAOYSA-N -1 1 358.806 4.435 20 0 FIADMM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1C ZINC000538755961 1111284011 /nfs/dbraw/zinc/28/40/11/1111284011.db2.gz YVROEKALSVSUSF-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM CCCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461620116 1111298483 /nfs/dbraw/zinc/29/84/83/1111298483.db2.gz VCKYZIXDRCXTLQ-INIZCTEOSA-N -1 1 374.506 4.138 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000539238417 1111489888 /nfs/dbraw/zinc/48/98/88/1111489888.db2.gz JWYOBELTZPTVEI-UHFFFAOYSA-N -1 1 374.487 4.121 20 0 FIADMM COc1ccsc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552197035 1111611118 /nfs/dbraw/zinc/61/11/18/1111611118.db2.gz LKTDSEAEPHVATG-UHFFFAOYSA-N -1 1 362.632 4.131 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC=C(c2ccccc2)C1 ZINC000552787807 1111805474 /nfs/dbraw/zinc/80/54/74/1111805474.db2.gz BCBFPAMEHMWYMQ-UHFFFAOYSA-N -1 1 358.235 4.084 20 0 FIADMM COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc(Cl)c1[O-] ZINC000478552737 1111816001 /nfs/dbraw/zinc/81/60/01/1111816001.db2.gz KTCHLRFHTSIUFI-YEORSEQZSA-N -1 1 366.244 4.384 20 0 FIADMM O=C(c1ncccc1[O-])N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000552955046 1111866396 /nfs/dbraw/zinc/86/63/96/1111866396.db2.gz LPGYQZZSPJZYRG-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc21 ZINC000479487011 1112041988 /nfs/dbraw/zinc/04/19/88/1112041988.db2.gz YAPBJZINIQJCEV-UHFFFAOYSA-N -1 1 372.475 4.028 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479507224 1112051265 /nfs/dbraw/zinc/05/12/65/1112051265.db2.gz ZMVZGBLIPWTFTF-UHFFFAOYSA-N -1 1 362.476 4.022 20 0 FIADMM CCCc1nnc([N-]C(=O)c2c(C)onc2-c2cccc(Cl)c2)s1 ZINC000479562490 1112073151 /nfs/dbraw/zinc/07/31/51/1112073151.db2.gz JBAZTEGQXJDLSO-UHFFFAOYSA-N -1 1 362.842 4.360 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2cccc(Br)c2)[n-]1 ZINC000553742265 1112076982 /nfs/dbraw/zinc/07/69/82/1112076982.db2.gz KXAGOHWSFQZNEH-UHFFFAOYSA-N -1 1 365.174 4.256 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000553912916 1112129131 /nfs/dbraw/zinc/12/91/31/1112129131.db2.gz ZITHQDGAKVIOFP-UHFFFAOYSA-N -1 1 367.776 4.014 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000063849366 1112203392 /nfs/dbraw/zinc/20/33/92/1112203392.db2.gz PRCWWNIKBCEZSR-UHFFFAOYSA-N -1 1 373.396 4.431 20 0 FIADMM COc1c(C)ccc(NC(=O)c2cc(Br)ccc2[O-])c1C ZINC000554338969 1112305756 /nfs/dbraw/zinc/30/57/56/1112305756.db2.gz IQNOQDSPTZVTFM-UHFFFAOYSA-N -1 1 350.212 4.032 20 0 FIADMM COC(=O)c1c[n-]c(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)n1 ZINC000554397031 1112332005 /nfs/dbraw/zinc/33/20/05/1112332005.db2.gz BGMMDHUMVXYEOI-OAHLLOKOSA-N -1 1 366.870 4.110 20 0 FIADMM CC(C)(CC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C(F)(F)F ZINC000480589469 1112494000 /nfs/dbraw/zinc/49/40/00/1112494000.db2.gz UTGLHTFKPJSZTH-UHFFFAOYSA-N -1 1 351.781 4.131 20 0 FIADMM O=C([O-])CC1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000567479119 1112544911 /nfs/dbraw/zinc/54/49/11/1112544911.db2.gz NXTXAHLFYYAUQU-UHFFFAOYSA-N -1 1 368.355 4.047 20 0 FIADMM Cc1ccccc1CN(C(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000481525377 1112969653 /nfs/dbraw/zinc/96/96/53/1112969653.db2.gz CYZFSJHYOYWAGO-UHFFFAOYSA-N -1 1 360.251 4.268 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1Cl ZINC000481967568 1113142760 /nfs/dbraw/zinc/14/27/60/1113142760.db2.gz ZGJJTLPZCHXGLT-UHFFFAOYSA-N -1 1 365.669 4.459 20 0 FIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([O-])c(Cl)c3)[nH]c2c1 ZINC000194532059 1113405295 /nfs/dbraw/zinc/40/52/95/1113405295.db2.gz IRHQBZSHCRAAIR-INIZCTEOSA-N -1 1 355.825 4.208 20 0 FIADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000907314413 1113534119 /nfs/dbraw/zinc/53/41/19/1113534119.db2.gz MLYNWUCHNKEBNO-BOLDSZDNSA-N -1 1 369.490 4.219 20 0 FIADMM CCC(C)(C)OCc1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907354872 1113535877 /nfs/dbraw/zinc/53/58/77/1113535877.db2.gz AZERBTXCKVHSMR-UHFFFAOYSA-N -1 1 355.438 4.017 20 0 FIADMM CC(C)O[C@@H](CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccccc1 ZINC000488237626 1113885966 /nfs/dbraw/zinc/88/59/66/1113885966.db2.gz ZOPIBMSEXNWGGD-KRWDZBQOSA-N -1 1 374.506 4.322 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(F)(F)F ZINC000488557982 1113953955 /nfs/dbraw/zinc/95/39/55/1113953955.db2.gz GIISBKIKEJVEGU-UHFFFAOYSA-N -1 1 372.412 4.135 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000488856003 1114007170 /nfs/dbraw/zinc/00/71/70/1114007170.db2.gz KBSNDYIVOXXQEP-OAHLLOKOSA-N -1 1 374.278 4.250 20 0 FIADMM CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1cc(F)ccc1F ZINC000489517782 1114123051 /nfs/dbraw/zinc/12/30/51/1114123051.db2.gz KHNWRDHUHQYDSI-CQSZACIVSA-N -1 1 370.193 4.314 20 0 FIADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000489695290 1114157554 /nfs/dbraw/zinc/15/75/54/1114157554.db2.gz KDKKQYVBMOUPPE-AWEZNQCLSA-N -1 1 373.478 4.125 20 0 FIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)ccc21 ZINC000489713730 1114160349 /nfs/dbraw/zinc/16/03/49/1114160349.db2.gz JTWCOUFTTBPTJU-UHFFFAOYSA-N -1 1 365.405 4.356 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@@H]2COc3c2cccc3Cl)cnc1Cl ZINC001127083854 1114373236 /nfs/dbraw/zinc/37/32/36/1114373236.db2.gz HCWNWLRPSLXBSK-GFCCVEGCSA-N -1 1 373.186 4.039 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2F)cc1 ZINC000055529408 1114494281 /nfs/dbraw/zinc/49/42/81/1114494281.db2.gz FUAOEZKKVRLOQA-UHFFFAOYSA-N -1 1 356.426 4.084 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000572324869 1114630491 /nfs/dbraw/zinc/63/04/91/1114630491.db2.gz KXENXTMBNSREBB-OAHLLOKOSA-N -1 1 351.352 4.463 20 0 FIADMM Cc1oc(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1C(=O)[O-] ZINC000572414681 1114636751 /nfs/dbraw/zinc/63/67/51/1114636751.db2.gz HMDKTLHAROHGGX-GFCCVEGCSA-N -1 1 370.232 4.246 20 0 FIADMM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590069855 1114892757 /nfs/dbraw/zinc/89/27/57/1114892757.db2.gz IJKCEBNBMYQWPR-ZYHUDNBSSA-N -1 1 366.346 4.148 20 0 FIADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590618484 1114954477 /nfs/dbraw/zinc/95/44/77/1114954477.db2.gz OFNPELAIFKZBFR-UZLBHIALSA-N -1 1 372.509 4.355 20 0 FIADMM O=C([N-]c1cc(F)cc(F)c1F)c1c(F)ccc(Br)c1F ZINC000573034045 1115002529 /nfs/dbraw/zinc/00/25/29/1115002529.db2.gz DEFUMWSVZMFMOG-UHFFFAOYSA-N -1 1 366.083 4.397 20 0 FIADMM O=C(Nc1ccccc1)Nc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591727078 1115127119 /nfs/dbraw/zinc/12/71/19/1115127119.db2.gz VZHWFRCPUGNGLM-UHFFFAOYSA-N -1 1 374.375 4.373 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(Cl)cc1Cl ZINC000573479819 1115130320 /nfs/dbraw/zinc/13/03/20/1115130320.db2.gz YZULRRJIGDSMLC-UHFFFAOYSA-N -1 1 367.204 4.435 20 0 FIADMM Fc1ccc(CN(Cn2c(=S)[n-]nc2Cc2cccs2)C2CC2)cc1 ZINC000058205166 1115138735 /nfs/dbraw/zinc/13/87/35/1115138735.db2.gz IPWKUBIZMKBDBM-UHFFFAOYSA-N -1 1 374.510 4.354 20 0 FIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1csc2ccccc12 ZINC000574202407 1115293982 /nfs/dbraw/zinc/29/39/82/1115293982.db2.gz GGNUQUFIDPIHKS-UHFFFAOYSA-N -1 1 352.387 4.310 20 0 FIADMM O=C([O-])[C@H]1C[C@@H](NCc2c(Cl)cccc2OC(F)F)c2ccccc21 ZINC000669478945 1115304451 /nfs/dbraw/zinc/30/44/51/1115304451.db2.gz ZWANDRWGKFGFFU-SWLSCSKDSA-N -1 1 367.779 4.344 20 0 FIADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC1CCCCCC1)CC2 ZINC000575065255 1115532318 /nfs/dbraw/zinc/53/23/18/1115532318.db2.gz CDWQZAKFCJUSOJ-GOSISDBHSA-N -1 1 361.482 4.048 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ncoc1-c1ccccc1 ZINC000601437759 1115637028 /nfs/dbraw/zinc/63/70/28/1115637028.db2.gz JRYJFBAKKDFOKD-UHFFFAOYSA-N -1 1 362.414 4.036 20 0 FIADMM O=S(=O)([N-]CCCc1cccc(F)c1)c1cc(Cl)sc1Cl ZINC000598018090 1115702038 /nfs/dbraw/zinc/70/20/38/1115702038.db2.gz BRZJNMDTYPRHIW-UHFFFAOYSA-N -1 1 368.282 4.105 20 0 FIADMM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cncc([O-])c1 ZINC000599320456 1115807527 /nfs/dbraw/zinc/80/75/27/1115807527.db2.gz XUZUHQCABIUIAW-UHFFFAOYSA-N -1 1 353.809 4.305 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N([C@H](C)C(C)C)C2CC2)cc1 ZINC000171465529 1115867250 /nfs/dbraw/zinc/86/72/50/1115867250.db2.gz HTIZQGQPUIZAMA-OAHLLOKOSA-N -1 1 372.538 4.342 20 0 FIADMM CC(C)[C@H]1CCC[C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000171598379 1115872424 /nfs/dbraw/zinc/87/24/24/1115872424.db2.gz IRCJSHMSBMYYEF-STQMWFEESA-N -1 1 364.540 4.000 20 0 FIADMM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1c([O-])cccc1F ZINC000605436699 1115895396 /nfs/dbraw/zinc/89/53/96/1115895396.db2.gz LWSPGWVRCMWEBR-UHFFFAOYSA-N -1 1 362.307 4.036 20 0 FIADMM CCOC(=O)CCOc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000062693171 1115961613 /nfs/dbraw/zinc/96/16/13/1115961613.db2.gz JNDXDJCBOYROLJ-YCRREMRBSA-N -1 1 374.820 4.274 20 0 FIADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000606904595 1115981627 /nfs/dbraw/zinc/98/16/27/1115981627.db2.gz YDWQVSBHUGXGBP-ZJUUUORDSA-N -1 1 355.809 4.216 20 0 FIADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000606904601 1115981700 /nfs/dbraw/zinc/98/17/00/1115981700.db2.gz JRDKBSJEYIZNEQ-MGCOHNPYSA-N -1 1 355.809 4.216 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2ncccc2c1 ZINC000607030393 1115993941 /nfs/dbraw/zinc/99/39/41/1115993941.db2.gz BSEFYSCJDPDXGJ-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000173379955 1116059280 /nfs/dbraw/zinc/05/92/80/1116059280.db2.gz NBISEAANSAGPBQ-UHFFFAOYSA-N -1 1 360.841 4.074 20 0 FIADMM O=C([N-]c1nc(-c2ccccc2)cs1)c1noc(-c2cccc(F)c2)n1 ZINC000607995282 1116077533 /nfs/dbraw/zinc/07/75/33/1116077533.db2.gz RXVMHCMKIJKPAV-UHFFFAOYSA-N -1 1 366.377 4.252 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1O ZINC000608342638 1116100580 /nfs/dbraw/zinc/10/05/80/1116100580.db2.gz SBWWCIKHWOKPGW-UHFFFAOYSA-N -1 1 353.399 4.401 20 0 FIADMM C[C@@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1C(F)(F)F ZINC000608354413 1116101531 /nfs/dbraw/zinc/10/15/31/1116101531.db2.gz DGDIBOXPJNWYGG-SNVBAGLBSA-N -1 1 365.380 4.321 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000608366217 1116102313 /nfs/dbraw/zinc/10/23/13/1116102313.db2.gz GGHKVRJRUWONFS-UHFFFAOYSA-N -1 1 362.404 4.346 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc2cc(Br)ccc2o1 ZINC000608365324 1116102416 /nfs/dbraw/zinc/10/24/16/1116102416.db2.gz CYRLYYMWILCSEU-UHFFFAOYSA-N -1 1 350.143 4.292 20 0 FIADMM Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608366410 1116102642 /nfs/dbraw/zinc/10/26/42/1116102642.db2.gz UNOMCODRGUBGMT-UHFFFAOYSA-N -1 1 371.437 4.065 20 0 FIADMM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C(F)(F)F ZINC000534174345 1116166553 /nfs/dbraw/zinc/16/65/53/1116166553.db2.gz OSMMSQSSIRZTOA-UHFFFAOYSA-N -1 1 351.250 4.140 20 0 FIADMM O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc([O-])c(F)c1F ZINC000456793577 1116219019 /nfs/dbraw/zinc/21/90/19/1116219019.db2.gz NUWSWHQQCKYOAH-UHFFFAOYSA-N -1 1 359.372 4.151 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000534868048 1116244352 /nfs/dbraw/zinc/24/43/52/1116244352.db2.gz QHAGDLFLBHIXDQ-UHFFFAOYSA-N -1 1 363.813 4.251 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1O ZINC000669821534 1116327067 /nfs/dbraw/zinc/32/70/67/1116327067.db2.gz ZDWUNQKJYRPOJP-UHFFFAOYSA-N -1 1 359.369 4.137 20 0 FIADMM COc1ccccc1-c1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000539615777 1116353551 /nfs/dbraw/zinc/35/35/51/1116353551.db2.gz JUOIZTWPYZXUCM-UHFFFAOYSA-N -1 1 359.476 4.223 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2oc(-c3ccccc3)nc2C)c(F)c1 ZINC000539642237 1116358003 /nfs/dbraw/zinc/35/80/03/1116358003.db2.gz OJMYYJXKSJVDCK-UHFFFAOYSA-N -1 1 356.328 4.383 20 0 FIADMM COC(=O)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccsc1 ZINC000539707804 1116368217 /nfs/dbraw/zinc/36/82/17/1116368217.db2.gz RWOWRZQRABXLKA-OAHLLOKOSA-N -1 1 372.471 4.226 20 0 FIADMM Cc1nc(-c2ccc(N(C)CCCCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000462791908 1117774735 /nfs/dbraw/zinc/77/47/35/1117774735.db2.gz SNLSOSKNTNHEEM-UHFFFAOYSA-N -1 1 362.477 4.320 20 0 FIADMM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cccc1C(F)(F)F ZINC000539974334 1117780740 /nfs/dbraw/zinc/78/07/40/1117780740.db2.gz OGZXDFJFFADMIS-UHFFFAOYSA-N -1 1 351.250 4.140 20 0 FIADMM Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c(Cl)c1 ZINC000540716143 1118203832 /nfs/dbraw/zinc/20/38/32/1118203832.db2.gz YXPFCLMEFLDZKD-GFCCVEGCSA-N -1 1 365.886 4.189 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1 ZINC000463790862 1118324468 /nfs/dbraw/zinc/32/44/68/1118324468.db2.gz ORBVZRARYAUQIF-UHFFFAOYSA-N -1 1 371.911 4.399 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2nnc(-c3ccccc3)s2)[n-]1 ZINC000463783709 1118327995 /nfs/dbraw/zinc/32/79/95/1118327995.db2.gz CKRIYZBABXDQSE-UHFFFAOYSA-N -1 1 370.381 4.012 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(SC)cc2)ccc1OC(C)C ZINC000463803720 1118330515 /nfs/dbraw/zinc/33/05/15/1118330515.db2.gz XLBHYDFMDOFDAX-UHFFFAOYSA-N -1 1 367.492 4.005 20 0 FIADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000463901389 1118365925 /nfs/dbraw/zinc/36/59/25/1118365925.db2.gz ZPQXCCRDXBOFLR-JKSUJKDBSA-N -1 1 374.506 4.042 20 0 FIADMM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541888516 1118689251 /nfs/dbraw/zinc/68/92/51/1118689251.db2.gz YLHRHDJMGHEHLL-UHFFFAOYSA-N -1 1 355.825 4.160 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1Cl ZINC000542093105 1118789215 /nfs/dbraw/zinc/78/92/15/1118789215.db2.gz OHGJKDZDZUWJPV-UHFFFAOYSA-N -1 1 358.246 4.305 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nccnc1Sc1ccccc1 ZINC000542394500 1118922750 /nfs/dbraw/zinc/92/27/50/1118922750.db2.gz AEWRUMXSNNPWGA-UHFFFAOYSA-N -1 1 357.822 4.239 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Br)s1 ZINC000311750193 1119387768 /nfs/dbraw/zinc/38/77/68/1119387768.db2.gz USUTWFGPLWDRKZ-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1ccccc1F ZINC000006315313 1119440497 /nfs/dbraw/zinc/44/04/97/1119440497.db2.gz LQLUEBVXCGXRKS-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000031382336 1119473508 /nfs/dbraw/zinc/47/35/08/1119473508.db2.gz DIKOWBKHKDMJIU-NVXWUHKLSA-N -1 1 372.538 4.343 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc(C3CC3)n2)c1 ZINC000182920183 1119562978 /nfs/dbraw/zinc/56/29/78/1119562978.db2.gz QUCRPNALPBXMEH-UHFFFAOYSA-N -1 1 353.241 4.049 20 0 FIADMM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc2ccccc2cc1[O-] ZINC000218970221 1119657549 /nfs/dbraw/zinc/65/75/49/1119657549.db2.gz QBRINPAIVMOJIV-UHFFFAOYSA-N -1 1 360.413 4.034 20 0 FIADMM CCc1ccc(-c2noc([C@H](C)NC(=O)c3c([O-])cccc3Cl)n2)cc1 ZINC000761603514 1119708961 /nfs/dbraw/zinc/70/89/61/1119708961.db2.gz VPBCQGZNEITCGZ-NSHDSACASA-N -1 1 371.824 4.149 20 0 FIADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccc(OC)cc1 ZINC000186213789 1119713537 /nfs/dbraw/zinc/71/35/37/1119713537.db2.gz NQGXAQBFWQLSAR-UHFFFAOYSA-N -1 1 371.824 4.055 20 0 FIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188915853 1119806070 /nfs/dbraw/zinc/80/60/70/1119806070.db2.gz PMQPGHDSBDVEFH-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM Cc1cnc(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c([O-])c1 ZINC001626013543 1119909492 /nfs/dbraw/zinc/90/94/92/1119909492.db2.gz TVAUHGPBNBBTHR-GOSISDBHSA-N -1 1 352.821 4.268 20 0 FIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190345570 1119935283 /nfs/dbraw/zinc/93/52/83/1119935283.db2.gz GZIQNTLKZJIYQW-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM COCCOc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1Cl ZINC000190950850 1119955179 /nfs/dbraw/zinc/95/51/79/1119955179.db2.gz BTFZTICVFIMETR-UHFFFAOYSA-N -1 1 371.220 4.368 20 0 FIADMM COC(=O)[C@@H](C)Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190987257 1119957243 /nfs/dbraw/zinc/95/72/43/1119957243.db2.gz PXDDMXPLROQILY-NSHDSACASA-N -1 1 362.813 4.041 20 0 FIADMM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000192205195 1120041124 /nfs/dbraw/zinc/04/11/24/1120041124.db2.gz BONUKGALGGXKRI-UHFFFAOYSA-N -1 1 373.840 4.316 20 0 FIADMM CC(C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)=C1CCCC1 ZINC000176549156 1120272742 /nfs/dbraw/zinc/27/27/42/1120272742.db2.gz VDDMFUZPFGFHQK-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM COc1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc(Cl)c1[O-] ZINC000495015593 1120431579 /nfs/dbraw/zinc/43/15/79/1120431579.db2.gz GSWHZGKEMBUNFK-UHFFFAOYSA-N -1 1 370.792 4.494 20 0 FIADMM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000495171940 1120525606 /nfs/dbraw/zinc/52/56/06/1120525606.db2.gz YBOYZCMNASCECA-GFCCVEGCSA-N -1 1 371.437 4.288 20 0 FIADMM CCCc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000915318825 1120922617 /nfs/dbraw/zinc/92/26/17/1120922617.db2.gz YHDXDPZZXKOSPN-UHFFFAOYSA-N -1 1 366.461 4.472 20 0 FIADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cn1 ZINC000762573555 1120931261 /nfs/dbraw/zinc/93/12/61/1120931261.db2.gz BOLKJCLYNYMMGH-UHFFFAOYSA-N -1 1 372.421 4.263 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC000176616855 1120932333 /nfs/dbraw/zinc/93/23/33/1120932333.db2.gz IEBDSNLLTJLOGJ-HZPDHXFCSA-N -1 1 372.538 4.343 20 0 FIADMM O=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)ccc1[O-] ZINC000031955516 1121096491 /nfs/dbraw/zinc/09/64/91/1121096491.db2.gz QZLQLJIHJADJGR-UHFFFAOYSA-N -1 1 371.820 4.285 20 0 FIADMM CCC(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000032199315 1121100401 /nfs/dbraw/zinc/10/04/01/1121100401.db2.gz SXPMZHQMUTWIRJ-UHFFFAOYSA-N -1 1 374.506 4.479 20 0 FIADMM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(-c4ccco4)s3)s2)o1 ZINC000041787021 1121142449 /nfs/dbraw/zinc/14/24/49/1121142449.db2.gz CUNJWBXVUJWLRC-UHFFFAOYSA-N -1 1 372.431 4.384 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2)o1 ZINC000055582444 1121255188 /nfs/dbraw/zinc/25/51/88/1121255188.db2.gz OUKSOJPEATVYRV-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000055594939 1121256205 /nfs/dbraw/zinc/25/62/05/1121256205.db2.gz JCXRUAUNSUKZHR-UHFFFAOYSA-N -1 1 366.870 4.106 20 0 FIADMM COc1cc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)cc(Cl)c1[O-] ZINC000763244687 1121302967 /nfs/dbraw/zinc/30/29/67/1121302967.db2.gz QJLGAFPJXMTHAG-UHFFFAOYSA-N -1 1 366.820 4.290 20 0 FIADMM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032631235 1121317117 /nfs/dbraw/zinc/31/71/17/1121317117.db2.gz GDLNIBMLRABBBM-FQEVSTJZSA-N -1 1 366.417 4.282 20 0 FIADMM CC(C)Oc1ccccc1-c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000060511080 1121478548 /nfs/dbraw/zinc/47/85/48/1121478548.db2.gz ODAPHNVJMCVGPK-UHFFFAOYSA-N -1 1 354.431 4.069 20 0 FIADMM O=C(c1ccc(O)cc1)C1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000126684408 1121552609 /nfs/dbraw/zinc/55/26/09/1121552609.db2.gz ZTGYTBFPPNTKAC-UHFFFAOYSA-N -1 1 364.420 4.174 20 0 FIADMM CCCOc1ccccc1-c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000063629770 1121574452 /nfs/dbraw/zinc/57/44/52/1121574452.db2.gz WXYMBVDCWHOILU-UHFFFAOYSA-N -1 1 354.431 4.070 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000064319005 1121605247 /nfs/dbraw/zinc/60/52/47/1121605247.db2.gz QCPQYUBUQIQKLB-UHFFFAOYSA-N -1 1 374.506 4.238 20 0 FIADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000064476957 1121616249 /nfs/dbraw/zinc/61/62/49/1121616249.db2.gz NGSSONBQALBROW-UHFFFAOYSA-N -1 1 351.493 4.388 20 0 FIADMM O=S(=O)([N-]CCc1ccccc1Cl)c1cc(Cl)sc1Cl ZINC000065794845 1121706869 /nfs/dbraw/zinc/70/68/69/1121706869.db2.gz NMKVQHVJSFHIAA-UHFFFAOYSA-N -1 1 370.710 4.229 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000065830848 1121711328 /nfs/dbraw/zinc/71/13/28/1121711328.db2.gz OQGZIWRDEGTEKN-HNNXBMFYSA-N -1 1 374.440 4.163 20 0 FIADMM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc2ccccc2cc1[O-] ZINC000064445252 1121768596 /nfs/dbraw/zinc/76/85/96/1121768596.db2.gz OIPNOFYYOAFUJH-UHFFFAOYSA-N -1 1 359.429 4.127 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1Cl ZINC000067952376 1121801290 /nfs/dbraw/zinc/80/12/90/1121801290.db2.gz IQPITWPRDCVYAH-UHFFFAOYSA-N -1 1 366.870 4.223 20 0 FIADMM CC(C)n1c(C2CCN(C(=O)CC3CCCCC3)CC2)n[n-]c1=S ZINC000068447129 1121828985 /nfs/dbraw/zinc/82/89/85/1121828985.db2.gz MPJMLMCGNABRBE-UHFFFAOYSA-N -1 1 350.532 4.198 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000067177596 1122140137 /nfs/dbraw/zinc/14/01/37/1122140137.db2.gz BFXCFNWVXNHBFV-HXUWFJFHSA-N -1 1 369.367 4.037 20 0 FIADMM COc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC001272821788 1122232416 /nfs/dbraw/zinc/23/24/16/1122232416.db2.gz HTKCVFMFYKSEJW-GFCCVEGCSA-N -1 1 371.305 4.008 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1 ZINC000055633128 1122258440 /nfs/dbraw/zinc/25/84/40/1122258440.db2.gz UAANAAYDSAHJKI-UHFFFAOYSA-N -1 1 357.431 4.106 20 0 FIADMM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000917651201 1122392717 /nfs/dbraw/zinc/39/27/17/1122392717.db2.gz OLPZWVZVWMHYTP-QMMMGPOBSA-N -1 1 368.669 4.149 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccc(Br)cc2)CC1 ZINC000129576179 1122641177 /nfs/dbraw/zinc/64/11/77/1122641177.db2.gz ABGWFCAEMQXYES-UHFFFAOYSA-N -1 1 366.642 4.478 20 0 FIADMM COc1cc(OC)c(NCc2cccc(Cl)c2[O-])cc1Br ZINC000154800923 1122769637 /nfs/dbraw/zinc/76/96/37/1122769637.db2.gz LUQYBZSMLGAHLL-UHFFFAOYSA-N -1 1 372.646 4.437 20 0 FIADMM CC[C@@H]1CCC[C@H](NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000154927120 1122925899 /nfs/dbraw/zinc/92/58/99/1122925899.db2.gz IWOFTTBDKYTSAP-WBVHZDCISA-N -1 1 372.538 4.391 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c2ccccc12 ZINC000072027132 1122968458 /nfs/dbraw/zinc/96/84/58/1122968458.db2.gz GVFYEKYJJVHJFG-UHFFFAOYSA-N -1 1 359.422 4.487 20 0 FIADMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cnc(-c2ccco2)s1 ZINC000556804411 1123098710 /nfs/dbraw/zinc/09/87/10/1123098710.db2.gz GRSVJBFDZMJJBV-UHFFFAOYSA-N -1 1 371.809 4.094 20 0 FIADMM O=S(=O)([N-]c1cccc(O)c1F)c1c(Cl)cccc1C(F)(F)F ZINC000131522662 1123103439 /nfs/dbraw/zinc/10/34/39/1123103439.db2.gz BOOHZOVIUXTUBL-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc2ccccc2c1 ZINC000132743687 1123354795 /nfs/dbraw/zinc/35/47/95/1123354795.db2.gz MZFWLGZYPQZBIZ-UHFFFAOYSA-N -1 1 350.399 4.296 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccccc1-c1ccccc1 ZINC000132877985 1123374963 /nfs/dbraw/zinc/37/49/63/1123374963.db2.gz HZHYQZPULFQTDL-UHFFFAOYSA-N -1 1 351.427 4.185 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1 ZINC000499275111 1123396494 /nfs/dbraw/zinc/39/64/94/1123396494.db2.gz TVOICVIOXRKALF-UHFFFAOYSA-N -1 1 356.447 4.440 20 0 FIADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2nc3ccccc3c(=O)[n-]2)o1 ZINC000075544085 1123497972 /nfs/dbraw/zinc/49/79/72/1123497972.db2.gz AYLWNOUROYIUCQ-SUMWQHHRSA-N -1 1 365.433 4.104 20 0 FIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1C ZINC000134442847 1123638287 /nfs/dbraw/zinc/63/82/87/1123638287.db2.gz OBHDNXWCLBFCEJ-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc4ccccc43)c2C)o1 ZINC000135403945 1123750893 /nfs/dbraw/zinc/75/08/93/1123750893.db2.gz QVXAPLQOYGXFAD-UHFFFAOYSA-N -1 1 367.430 4.241 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(Cl)ccc3C)c2C)o1 ZINC000135405852 1123751642 /nfs/dbraw/zinc/75/16/42/1123751642.db2.gz UEQITWPZZFHTCD-UHFFFAOYSA-N -1 1 365.842 4.049 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)ccc1OC(C)C ZINC000615955576 1124184146 /nfs/dbraw/zinc/18/41/46/1124184146.db2.gz NQXJRWYRSXWGMR-UHFFFAOYSA-N -1 1 372.446 4.238 20 0 FIADMM COCCC[C@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000672052991 1124245164 /nfs/dbraw/zinc/24/51/64/1124245164.db2.gz RULZLWVCFQNKKW-OAHLLOKOSA-N -1 1 365.832 4.125 20 0 FIADMM CCc1ccc([C@H](C)C(=O)N2CCC(c3n[n-]c(=S)n3CC)CC2)cc1 ZINC000068453675 1124248471 /nfs/dbraw/zinc/24/84/71/1124248471.db2.gz HAFMPQZXSGAGTD-AWEZNQCLSA-N -1 1 372.538 4.033 20 0 FIADMM CSc1cccc(F)c1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672058413 1124302947 /nfs/dbraw/zinc/30/29/47/1124302947.db2.gz VDKFNQJMNVGJON-UHFFFAOYSA-N -1 1 359.344 4.202 20 0 FIADMM O=S(=O)([N-][C@H](C1CCC1)C1CCCCC1)c1ccc(F)c(F)c1F ZINC001212286557 1124381501 /nfs/dbraw/zinc/38/15/01/1124381501.db2.gz QDMJGIIARBZPQJ-KRWDZBQOSA-N -1 1 361.429 4.131 20 0 FIADMM C[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000616986791 1124420826 /nfs/dbraw/zinc/42/08/26/1124420826.db2.gz HYWVPPWZKLEQGF-OAHLLOKOSA-N -1 1 369.436 4.146 20 0 FIADMM O=C1CCCN1CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000180776586 1124429052 /nfs/dbraw/zinc/42/90/52/1124429052.db2.gz RVWNIMIXWWNHAM-OAHLLOKOSA-N -1 1 370.880 4.162 20 0 FIADMM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672099113 1124551440 /nfs/dbraw/zinc/55/14/40/1124551440.db2.gz VWHABLKEXXZTCS-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM O=S(=O)([N-]Cc1cccc(Cl)c1)c1cc(Cl)sc1Cl ZINC000060561780 1124574201 /nfs/dbraw/zinc/57/42/01/1124574201.db2.gz SHPDBWLIBFCGDU-UHFFFAOYSA-N -1 1 356.683 4.187 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2coc(-c3ccc(F)cc3)n2)[n-]1 ZINC000109714069 1124589603 /nfs/dbraw/zinc/58/96/03/1124589603.db2.gz QFERGJRPYDLKTK-UHFFFAOYSA-N -1 1 371.315 4.287 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)cc1 ZINC000007055629 1124859584 /nfs/dbraw/zinc/85/95/84/1124859584.db2.gz APEQZYWIHUSUBY-UHFFFAOYSA-N -1 1 365.838 4.182 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000007402490 1124901796 /nfs/dbraw/zinc/90/17/96/1124901796.db2.gz DXWFRQDAWLABLD-UHFFFAOYSA-N -1 1 351.733 4.039 20 0 FIADMM O=C([N-]CC1(c2ccc(F)cc2Cl)CCCC1)C(F)(F)C(F)F ZINC001128330757 1125311582 /nfs/dbraw/zinc/31/15/82/1125311582.db2.gz FNZBTWKLDHTQFD-UHFFFAOYSA-N -1 1 355.734 4.308 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1 ZINC000007726636 204304317 /nfs/dbraw/zinc/30/43/17/204304317.db2.gz BUXAFWBCHJUAPW-OAHLLOKOSA-N -1 1 372.490 4.128 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C1CCCCC1 ZINC000052344733 205186267 /nfs/dbraw/zinc/18/62/67/205186267.db2.gz YELOQUBGUILRCJ-LBPRGKRZSA-N -1 1 366.346 4.148 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000003581291 206234547 /nfs/dbraw/zinc/23/45/47/206234547.db2.gz YDNIHQOXTXKFBJ-UHFFFAOYSA-N -1 1 368.296 4.429 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1cc(Br)ccc1Cl ZINC000067890573 568081569 /nfs/dbraw/zinc/08/15/69/568081569.db2.gz UPNUDBIOXPBDGU-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC(F)F ZINC000604019045 568199661 /nfs/dbraw/zinc/19/96/61/568199661.db2.gz DXWWSKRCKALOCS-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CSCc1c2ccccc2oc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000604194411 568224205 /nfs/dbraw/zinc/22/42/05/568224205.db2.gz NDWWLEGNVHSVRR-UHFFFAOYSA-N -1 1 369.471 4.422 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000563125633 568254869 /nfs/dbraw/zinc/25/48/69/568254869.db2.gz PBRAYNBEYRODKT-KDOFPFPSSA-N -1 1 358.507 4.476 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c1 ZINC000604738284 568359075 /nfs/dbraw/zinc/35/90/75/568359075.db2.gz VHDOJNMUAYRNLY-UHFFFAOYSA-N -1 1 361.463 4.208 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c(Br)c1 ZINC000028197206 568539574 /nfs/dbraw/zinc/53/95/74/568539574.db2.gz RYSQYBIWMLNZFI-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1csc(-c2ccoc2)n1 ZINC000255006243 1125612095 /nfs/dbraw/zinc/61/20/95/1125612095.db2.gz PLUWVWYTYLVBFQ-ARJAWSKDSA-N -1 1 370.415 4.270 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1sccc1NC(=O)c1ccncc1 ZINC000182876374 1125660173 /nfs/dbraw/zinc/66/01/73/1125660173.db2.gz WHDVDSMLHFTVKC-UHFFFAOYSA-N -1 1 373.821 4.007 20 0 FIADMM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccc(F)c([O-])c1 ZINC001625777721 1079563334 /nfs/dbraw/zinc/56/33/34/1079563334.db2.gz VSNTYCFNMZWVIT-UHFFFAOYSA-N -1 1 351.381 4.053 20 0 FIADMM CCCCc1nc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2[nH]1 ZINC000510034034 1079584812 /nfs/dbraw/zinc/58/48/12/1079584812.db2.gz QYZRIRDVMSGGQA-UHFFFAOYSA-N -1 1 363.339 4.281 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000063181347 1079671649 /nfs/dbraw/zinc/67/16/49/1079671649.db2.gz AZTHNDGMTKEPKW-UHFFFAOYSA-N -1 1 360.479 4.151 20 0 FIADMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000063878444 1079678488 /nfs/dbraw/zinc/67/84/88/1079678488.db2.gz QLZYKCAYRBVULO-UHFFFAOYSA-N -1 1 372.393 4.279 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2Cl)cc1 ZINC000683172407 1079808089 /nfs/dbraw/zinc/80/80/89/1079808089.db2.gz ZDRFPHDTXJPZDM-INIZCTEOSA-N -1 1 354.233 4.308 20 0 FIADMM CN(Cc1cc(Br)ccc1Cl)C(=O)c1ccc([O-])c(F)c1 ZINC000683182424 1079859817 /nfs/dbraw/zinc/85/98/17/1079859817.db2.gz FQMUSYCVEOPDIN-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000610194056 1079898344 /nfs/dbraw/zinc/89/83/44/1079898344.db2.gz LJIFGBKZUGSIOT-UHFFFAOYSA-N -1 1 358.488 4.289 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000092604539 1079937173 /nfs/dbraw/zinc/93/71/73/1079937173.db2.gz MKBRFJSDZLLAPW-HXUWFJFHSA-N -1 1 365.404 4.023 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000092604538 1079937359 /nfs/dbraw/zinc/93/73/59/1079937359.db2.gz MKBRFJSDZLLAPW-FQEVSTJZSA-N -1 1 365.404 4.023 20 0 FIADMM CC(C)n1c(CNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)n[n-]c1=S ZINC000066638959 1080019469 /nfs/dbraw/zinc/01/94/69/1080019469.db2.gz YBWZWVSPGKQIAX-VIFPVBQESA-N -1 1 373.309 4.248 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccccc2C)c(C2CC2)cc1Cl ZINC000655602586 1081016217 /nfs/dbraw/zinc/01/62/17/1081016217.db2.gz FVTJOYPAUTXPEL-UHFFFAOYSA-N -1 1 351.855 4.335 20 0 FIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1coc(C2CCC2)n1 ZINC000683452166 1081020474 /nfs/dbraw/zinc/02/04/74/1081020474.db2.gz GBMISQQNRVUBQP-UHFFFAOYSA-N -1 1 374.853 4.290 20 0 FIADMM CCOc1cc(-c2noc(CN(C)c3ccccc3)n2)cc(Cl)c1[O-] ZINC000683589617 1081180718 /nfs/dbraw/zinc/18/07/18/1081180718.db2.gz XDWHERCFCSXYFP-UHFFFAOYSA-N -1 1 359.813 4.131 20 0 FIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000547955191 1081195539 /nfs/dbraw/zinc/19/55/39/1081195539.db2.gz ANQIOOIWZBHEIG-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@@H]1CC=CCC1 ZINC000022114086 1081263302 /nfs/dbraw/zinc/26/33/02/1081263302.db2.gz IBIXHRRNKVAOID-CQSZACIVSA-N -1 1 366.442 4.051 20 0 FIADMM O=C(NCC1(c2c(F)cccc2F)CCCC1)c1c(F)ccc([O-])c1F ZINC000580005950 1081387369 /nfs/dbraw/zinc/38/73/69/1081387369.db2.gz DJYIRKQRFFMPOK-UHFFFAOYSA-N -1 1 367.342 4.190 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1coc(-c2ccccc2)n1 ZINC000255153307 1081727429 /nfs/dbraw/zinc/72/74/29/1081727429.db2.gz DTCPFZZAAIWUSM-HJWRWDBZSA-N -1 1 364.386 4.209 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc2ccccc2n1CC(F)(F)F ZINC000683864164 1081831267 /nfs/dbraw/zinc/83/12/67/1081831267.db2.gz BGDCVVHXESIOJD-UHFFFAOYSA-N -1 1 352.287 4.301 20 0 FIADMM [O-]c1c(Cl)cc(Nc2ccc(CCN3CCOCC3)cc2)cc1Cl ZINC001210929037 1081861051 /nfs/dbraw/zinc/86/10/51/1081861051.db2.gz RGPPTGVRVDZUCG-UHFFFAOYSA-N -1 1 367.276 4.317 20 0 FIADMM Cc1c2ccccc2nc(CN2C[C@H](C)OC3(CCCCC3)C2)c1C(=O)[O-] ZINC000656192350 1081897987 /nfs/dbraw/zinc/89/79/87/1081897987.db2.gz PUAMLJHRTRBLIB-HNNXBMFYSA-N -1 1 368.477 4.165 20 0 FIADMM Cn1c(-c2ccccc2)cnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000022268019 1081913064 /nfs/dbraw/zinc/91/30/64/1081913064.db2.gz HJLDIOBFJHQPTH-UHFFFAOYSA-N -1 1 364.426 4.191 20 0 FIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(OC(F)(F)F)cc1 ZINC000580638312 1082060592 /nfs/dbraw/zinc/06/05/92/1082060592.db2.gz RDQJCNQOYGRJNA-QMMMGPOBSA-N -1 1 361.266 4.060 20 0 FIADMM C[C@H](Oc1ccccc1[N-]S(=O)(=O)CCc1ccccc1)C(F)(F)F ZINC000580944474 1082241585 /nfs/dbraw/zinc/24/15/85/1082241585.db2.gz MRTSDDQDIDIIKD-ZDUSSCGKSA-N -1 1 373.396 4.001 20 0 FIADMM COc1ccc(-c2cc3[n-]c(CN4[C@H](C)CC[C@H]4C)nc(=O)c3s2)cc1 ZINC000123436075 1082297813 /nfs/dbraw/zinc/29/78/13/1082297813.db2.gz KODKZMCDBCQCTL-CHWSQXEVSA-N -1 1 369.490 4.033 20 0 FIADMM O=C([O-])[C@H](NCc1cccc(OC2CC2)c1F)c1ccc(Cl)c(F)c1 ZINC000656573894 1082592857 /nfs/dbraw/zinc/59/28/57/1082592857.db2.gz QNNZTNRJDBGWBV-QGZVFWFLSA-N -1 1 367.779 4.075 20 0 FIADMM Cc1ccc(OC(F)F)c(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000656764357 1082755566 /nfs/dbraw/zinc/75/55/66/1082755566.db2.gz GDRDRQODLARKQT-PMPSAXMXSA-N -1 1 353.409 4.062 20 0 FIADMM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000078032028 1082803184 /nfs/dbraw/zinc/80/31/84/1082803184.db2.gz DFYRIEVFSORSTM-UHFFFAOYSA-N -1 1 360.414 4.091 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)co1 ZINC000510462918 1082889647 /nfs/dbraw/zinc/88/96/47/1082889647.db2.gz QYISPWISEKZTCF-UHFFFAOYSA-N -1 1 354.391 4.144 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1csc(C(F)(F)F)n1 ZINC000684469268 1083024103 /nfs/dbraw/zinc/02/41/03/1083024103.db2.gz CJPAGMJTXYDPJQ-ONEGZZNKSA-N -1 1 372.353 4.029 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000684484547 1083083987 /nfs/dbraw/zinc/08/39/87/1083083987.db2.gz ZQNYAGSDIAEQCB-GOSISDBHSA-N -1 1 365.408 4.289 20 0 FIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)Cc1ccc2ccccc2c1 ZINC000065062125 1083276869 /nfs/dbraw/zinc/27/68/69/1083276869.db2.gz DVVWWLGSHYWVPZ-UHFFFAOYSA-N -1 1 372.424 4.207 20 0 FIADMM [O-]c1ccc(-c2noc(C[C@H](c3ccccc3)C(F)(F)F)n2)cc1F ZINC000445483661 1083354817 /nfs/dbraw/zinc/35/48/17/1083354817.db2.gz SYRAREBBRIZNQN-GFCCVEGCSA-N -1 1 352.287 4.470 20 0 FIADMM Cc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c(C(F)(F)F)o1 ZINC000472375609 1083489155 /nfs/dbraw/zinc/48/91/55/1083489155.db2.gz MQKAVXFBUYAFFI-SNAWJCMRSA-N -1 1 369.324 4.474 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000535737519 1083609682 /nfs/dbraw/zinc/60/96/82/1083609682.db2.gz KZTBIBPFUSIENY-UHFFFAOYSA-N -1 1 374.506 4.378 20 0 FIADMM CCc1cc(=O)n(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)[n-]1 ZINC000612373209 1083753643 /nfs/dbraw/zinc/75/36/43/1083753643.db2.gz WOGKSFUXYWHYNC-UHFFFAOYSA-N -1 1 370.474 4.146 20 0 FIADMM COCCCCS(=O)(=O)[N-]c1cc(Cl)ccc1-c1ccc(C)o1 ZINC000584264092 1083783837 /nfs/dbraw/zinc/78/38/37/1083783837.db2.gz HWBLFTQEICMMAO-UHFFFAOYSA-N -1 1 357.859 4.077 20 0 FIADMM O=C(Nc1ccc(OC(F)F)cc1)c1cc(Br)ccc1[O-] ZINC000016494822 1083807571 /nfs/dbraw/zinc/80/75/71/1083807571.db2.gz KERTXLQKAWRCDZ-UHFFFAOYSA-N -1 1 358.138 4.008 20 0 FIADMM CCCC[C@H](CCC)NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000177282777 1083822996 /nfs/dbraw/zinc/82/29/96/1083822996.db2.gz DGRGUUOCPGXVRO-INIZCTEOSA-N -1 1 360.527 4.391 20 0 FIADMM COc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC[C@@H]2C)cc1C ZINC000150996730 1083951188 /nfs/dbraw/zinc/95/11/88/1083951188.db2.gz UZOBTIGWNJDHCL-INIZCTEOSA-N -1 1 374.506 4.183 20 0 FIADMM CCc1nc(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)[n-]c(=O)c1C ZINC000657263962 1084129900 /nfs/dbraw/zinc/12/99/00/1084129900.db2.gz ZVJKXAYAENZNIB-LLVKDONJSA-N -1 1 374.441 4.404 20 0 FIADMM C[C@@H](CCCC(=O)[O-])NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000277342418 1084293588 /nfs/dbraw/zinc/29/35/88/1084293588.db2.gz OYTIVFAQDFEDJN-LBPRGKRZSA-N -1 1 368.886 4.109 20 0 FIADMM CC(C)[C@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000728638591 1084338227 /nfs/dbraw/zinc/33/82/27/1084338227.db2.gz MCYYRHSBMHHBTC-IBGZPJMESA-N -1 1 366.413 4.372 20 0 FIADMM CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000017322654 1084609153 /nfs/dbraw/zinc/60/91/53/1084609153.db2.gz YWCMFUMPZWNFRV-UHFFFAOYSA-N -1 1 374.506 4.024 20 0 FIADMM Cc1cnc(SCCCCOc2ccccc2C(F)(F)F)[n-]c1=O ZINC000582132861 1084681215 /nfs/dbraw/zinc/68/12/15/1084681215.db2.gz ANFDKMYRYNSEKY-UHFFFAOYSA-N -1 1 358.385 4.461 20 0 FIADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(Cl)cc(Cl)c1F ZINC000636359980 1084732910 /nfs/dbraw/zinc/73/29/10/1084732910.db2.gz XAWCPMDWDQYYOD-VIFPVBQESA-N -1 1 362.213 4.088 20 0 FIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)o1 ZINC000174767341 1084825249 /nfs/dbraw/zinc/82/52/49/1084825249.db2.gz WJRJSKGJDHJJNA-UHFFFAOYSA-N -1 1 371.462 4.223 20 0 FIADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccccc1Oc1ccncc1 ZINC000255499143 1084905101 /nfs/dbraw/zinc/90/51/01/1084905101.db2.gz OHUOZQNKXHSKKL-KAMYIIQDSA-N -1 1 370.405 4.426 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000175216472 1084906258 /nfs/dbraw/zinc/90/62/58/1084906258.db2.gz SMWKICQHYOPBDH-INIZCTEOSA-N -1 1 370.207 4.052 20 0 FIADMM CCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000175661186 1084985468 /nfs/dbraw/zinc/98/54/68/1084985468.db2.gz FFCWCVRDWRJVNC-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM Cn1ccnc1-c1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684872394 1085004701 /nfs/dbraw/zinc/00/47/01/1085004701.db2.gz DCBYCDMYFVWYRD-UHFFFAOYSA-N -1 1 361.323 4.064 20 0 FIADMM COc1ccc(CC[C@@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684872430 1085004870 /nfs/dbraw/zinc/00/48/70/1085004870.db2.gz UFRWAAQBHOFDJW-GFCCVEGCSA-N -1 1 367.367 4.171 20 0 FIADMM O=C(NCc1coc(-c2cccs2)n1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874124 1085008348 /nfs/dbraw/zinc/00/83/48/1085008348.db2.gz JLWUYQZUGFYXDO-UHFFFAOYSA-N -1 1 368.336 4.058 20 0 FIADMM CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1cccc(Cl)c1 ZINC000684875721 1085012578 /nfs/dbraw/zinc/01/25/78/1085012578.db2.gz KIYMRDZPHLLBFL-HNNXBMFYSA-N -1 1 373.758 4.182 20 0 FIADMM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000684877054 1085018189 /nfs/dbraw/zinc/01/81/89/1085018189.db2.gz IARQEWCKJRHTIG-CZUORRHYSA-N -1 1 359.388 4.125 20 0 FIADMM Cc1nc(NC(=O)c2cncc([O-])c2)sc1Cc1ccccc1Cl ZINC000600960633 1085025279 /nfs/dbraw/zinc/02/52/79/1085025279.db2.gz NDCVJGIFTDWMOJ-UHFFFAOYSA-N -1 1 359.838 4.049 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c2ccccc12 ZINC000511144455 1085082030 /nfs/dbraw/zinc/08/20/30/1085082030.db2.gz KDWYWKSRIVQANT-UHFFFAOYSA-N -1 1 371.458 4.275 20 0 FIADMM CC(C)CCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431449001 1085144416 /nfs/dbraw/zinc/14/44/16/1085144416.db2.gz NUNUYXJTLBVSKJ-UHFFFAOYSA-N -1 1 365.065 4.292 20 0 FIADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000044620729 1085412494 /nfs/dbraw/zinc/41/24/94/1085412494.db2.gz CTQLXROXYJGLMD-CQSZACIVSA-N -1 1 352.228 4.004 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000511207174 1085816068 /nfs/dbraw/zinc/81/60/68/1085816068.db2.gz RSYPTXCGFDJKHE-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000549583776 1086286037 /nfs/dbraw/zinc/28/60/37/1086286037.db2.gz BLULBOXYXWOQFM-HUUCEWRRSA-N -1 1 353.809 4.178 20 0 FIADMM O=C([O-])CC[C@H](CNCc1ccc(F)c(Cl)c1Cl)C(F)(F)F ZINC000663263375 1086348229 /nfs/dbraw/zinc/34/82/29/1086348229.db2.gz ZHVRCZXEMCZREC-MRVPVSSYSA-N -1 1 362.150 4.265 20 0 FIADMM O=C(Nc1ccc(NC(=O)c2ccccc2[O-])cc1Cl)c1ccco1 ZINC000079840780 1086397403 /nfs/dbraw/zinc/39/74/03/1086397403.db2.gz ZYELBNSFISQRKM-UHFFFAOYSA-N -1 1 356.765 4.143 20 0 FIADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Br)cc2Cl)C1 ZINC000168229636 1087000734 /nfs/dbraw/zinc/00/07/34/1087000734.db2.gz DDKXWJKUUQZMKD-LBPRGKRZSA-N -1 1 374.706 4.425 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2ncc(-c3ccccc3F)o2)[n-]1 ZINC000584260612 1087236569 /nfs/dbraw/zinc/23/65/69/1087236569.db2.gz LQPZSZRXZAAAMN-UHFFFAOYSA-N -1 1 353.325 4.206 20 0 FIADMM Cc1cccc(C2=CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CC2)c1 ZINC000092696606 1087444748 /nfs/dbraw/zinc/44/47/48/1087444748.db2.gz RFOBYWCIONIFMD-UHFFFAOYSA-N -1 1 372.472 4.051 20 0 FIADMM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(Cl)ccc1[O-] ZINC000196460499 1087511466 /nfs/dbraw/zinc/51/14/66/1087511466.db2.gz WXPAYONIDWJELN-UHFFFAOYSA-N -1 1 373.758 4.055 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000171208513 1087518234 /nfs/dbraw/zinc/51/82/34/1087518234.db2.gz DCJPEHNJSISYOE-LJQANCHMSA-N -1 1 369.367 4.037 20 0 FIADMM CCOc1cc(-c2noc(C3CCC(OC)CC3)n2)cc(Cl)c1[O-] ZINC000685363831 1087545270 /nfs/dbraw/zinc/54/52/70/1087545270.db2.gz BIRKMQDNXLCEID-UHFFFAOYSA-N -1 1 352.818 4.167 20 0 FIADMM CCOc1cc(-c2noc(-c3nc(C)c(C)s3)n2)cc(Cl)c1[O-] ZINC000685364072 1087546354 /nfs/dbraw/zinc/54/63/54/1087546354.db2.gz VDIDZFOATOPMIN-UHFFFAOYSA-N -1 1 351.815 4.235 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000685447024 1087571916 /nfs/dbraw/zinc/57/19/16/1087571916.db2.gz FRGNRBSZHVRMOT-UHFFFAOYSA-N -1 1 371.305 4.004 20 0 FIADMM COc1ccc(-c2cc(CSc3nc(C(F)F)cc(=O)[n-]3)on2)cc1 ZINC000685574919 1087633022 /nfs/dbraw/zinc/63/30/22/1087633022.db2.gz ACSRMQZZYXVWQR-UHFFFAOYSA-N -1 1 365.361 4.076 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1C ZINC000176207116 1087894380 /nfs/dbraw/zinc/89/43/80/1087894380.db2.gz SKASRQJXHRJWGG-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccccc2F)cc(Cl)c1[O-] ZINC000186568172 1087925246 /nfs/dbraw/zinc/92/52/46/1087925246.db2.gz RPBQFSDEWOVLQT-LLVKDONJSA-N -1 1 351.805 4.417 20 0 FIADMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1C ZINC000162420748 1087939268 /nfs/dbraw/zinc/93/92/68/1087939268.db2.gz SQZJGQDIUKBMIZ-LBPRGKRZSA-N -1 1 374.824 4.082 20 0 FIADMM CCOc1cc(C(=O)NCCc2c[nH]c3cccc(C)c23)cc(Cl)c1[O-] ZINC000186780018 1087988788 /nfs/dbraw/zinc/98/87/88/1087988788.db2.gz NOJITXCBIJDZQA-UHFFFAOYSA-N -1 1 372.852 4.207 20 0 FIADMM CCOc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)cc(Cl)c1[O-] ZINC000186784887 1087989221 /nfs/dbraw/zinc/98/92/21/1087989221.db2.gz RUFFPEHVMMAKEL-UHFFFAOYSA-N -1 1 368.886 4.128 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000186832191 1088000892 /nfs/dbraw/zinc/00/08/92/1088000892.db2.gz JFWKNHYANRZYEJ-HNNXBMFYSA-N -1 1 359.853 4.149 20 0 FIADMM CCOc1cc(C(=O)NCCc2c[nH]c3c2cccc3C)cc(Cl)c1[O-] ZINC000186832377 1088002072 /nfs/dbraw/zinc/00/20/72/1088002072.db2.gz GIOHIEGHRPGSRR-UHFFFAOYSA-N -1 1 372.852 4.207 20 0 FIADMM CC(C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)on1 ZINC000505409453 1088524628 /nfs/dbraw/zinc/52/46/28/1088524628.db2.gz PNQCMMHZEQLHFU-UHFFFAOYSA-N -1 1 353.426 4.133 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](c2ccsc2)O1 ZINC000180709042 1088779759 /nfs/dbraw/zinc/77/97/59/1088779759.db2.gz HACBPHNHETUDNL-MEBBXXQBSA-N -1 1 371.380 4.075 20 0 FIADMM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([O-])cc1F ZINC000181207756 1088786473 /nfs/dbraw/zinc/78/64/73/1088786473.db2.gz WUNCGWTUICTQQX-UHFFFAOYSA-N -1 1 361.376 4.005 20 0 FIADMM Cc1oc(-c2ccsc2)nc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000659790432 1088864987 /nfs/dbraw/zinc/86/49/87/1088864987.db2.gz UABZIWGVMWVQRY-UHFFFAOYSA-N -1 1 356.447 4.188 20 0 FIADMM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc([O-])cc1F ZINC000181976859 1088873560 /nfs/dbraw/zinc/87/35/60/1088873560.db2.gz AWXCRJYSWLSLSI-UHFFFAOYSA-N -1 1 363.694 4.378 20 0 FIADMM CCC(=CC(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O)c1cccc(Cl)c1 ZINC001625888398 1088942018 /nfs/dbraw/zinc/94/20/18/1088942018.db2.gz ZKDPSLHOBHUTII-FMIVXFBMSA-N -1 1 374.824 4.089 20 0 FIADMM O=C(C[C@@H]1C=CCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188995285 1089032091 /nfs/dbraw/zinc/03/20/91/1089032091.db2.gz KAOFQMBBTOIEPN-MRXNPFEDSA-N -1 1 370.474 4.172 20 0 FIADMM CC(C)COc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000613664424 1089231110 /nfs/dbraw/zinc/23/11/10/1089231110.db2.gz NXWMQSVWYQDKQP-UHFFFAOYSA-N -1 1 351.406 4.069 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(c2ccc(Cl)cc2)CC1 ZINC000613666549 1089245331 /nfs/dbraw/zinc/24/53/31/1089245331.db2.gz YWLMFUDCXBZMBD-UHFFFAOYSA-N -1 1 353.809 4.106 20 0 FIADMM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613665798 1089252752 /nfs/dbraw/zinc/25/27/52/1089252752.db2.gz XBYONPFFXNXPRA-UHFFFAOYSA-N -1 1 365.433 4.232 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000613668449 1089266111 /nfs/dbraw/zinc/26/61/11/1089266111.db2.gz ULVYWRNAKDXPTF-VXGBXAGGSA-N -1 1 353.344 4.090 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1 ZINC000435136106 1089319809 /nfs/dbraw/zinc/31/98/09/1089319809.db2.gz YLSJGPVKDWMPCX-UHFFFAOYSA-N -1 1 356.472 4.342 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000435137627 1089324857 /nfs/dbraw/zinc/32/48/57/1089324857.db2.gz MYYZGCWZSPTNTE-UHFFFAOYSA-N -1 1 356.472 4.342 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000215927356 1089519617 /nfs/dbraw/zinc/51/96/17/1089519617.db2.gz GPWAXXGAXFXTOT-UHFFFAOYSA-N -1 1 354.233 4.370 20 0 FIADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137272629 1089694107 /nfs/dbraw/zinc/69/41/07/1089694107.db2.gz ORTPRLFPKAYAGZ-LBPRGKRZSA-N -1 1 360.679 4.322 20 0 FIADMM CCc1nc(SCc2noc(-c3ccc(Cl)cc3)n2)[n-]c(=O)c1C ZINC000565242500 1089731068 /nfs/dbraw/zinc/73/10/68/1089731068.db2.gz OQHSFGUWWJBKCJ-UHFFFAOYSA-N -1 1 362.842 4.049 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cnc2n1 ZINC000515198974 1089877267 /nfs/dbraw/zinc/87/72/67/1089877267.db2.gz GYGGANBUCKRCRJ-UHFFFAOYSA-N -1 1 363.461 4.214 20 0 FIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)Cc1ccc(C(C)(C)C)cc1)c2=O ZINC000515198974 1089877289 /nfs/dbraw/zinc/87/72/89/1089877289.db2.gz GYGGANBUCKRCRJ-UHFFFAOYSA-N -1 1 363.461 4.214 20 0 FIADMM CCCc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000024504660 1090095022 /nfs/dbraw/zinc/09/50/22/1090095022.db2.gz MKZNJQYEPSVKPC-UHFFFAOYSA-N -1 1 358.492 4.260 20 0 FIADMM CCC(CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000041295460 1090155779 /nfs/dbraw/zinc/15/57/79/1090155779.db2.gz ZMIYGKBSELFVFF-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000182869510 1090379406 /nfs/dbraw/zinc/37/94/06/1090379406.db2.gz BGENSABUYYWFAO-UHFFFAOYSA-N -1 1 364.792 4.032 20 0 FIADMM COc1ccc(F)cc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417562195 1090927725 /nfs/dbraw/zinc/92/77/25/1090927725.db2.gz BTIIPDNXWBMEJV-HNNXBMFYSA-N -1 1 371.330 4.159 20 0 FIADMM Cc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(Br)c1 ZINC000417617770 1090940317 /nfs/dbraw/zinc/94/03/17/1090940317.db2.gz CLUZHGGYBQSQOO-RDJZCZTQSA-N -1 1 360.251 4.160 20 0 FIADMM O=C([O-])[C@@H](CC1CC1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000417631827 1090945494 /nfs/dbraw/zinc/94/54/94/1090945494.db2.gz YJPKRTYMMDFJBW-OAHLLOKOSA-N -1 1 364.239 4.052 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Cl)o1)c1ccc(Br)cc1 ZINC000417641247 1090952672 /nfs/dbraw/zinc/95/26/72/1090952672.db2.gz PERLHXSXUQSIPV-XPTSAGLGSA-N -1 1 372.646 4.247 20 0 FIADMM CCc1c(C)sc2nc(-c3ccc(NC(=O)NC(C)C)cc3)[n-]c(=O)c12 ZINC000042781248 1091009865 /nfs/dbraw/zinc/00/98/65/1091009865.db2.gz XRNMEUYDOIMCGQ-UHFFFAOYSA-N -1 1 370.478 4.052 20 0 FIADMM CC(C)(C)c1cc([N-]C(=O)c2nc(Br)cs2)c(C#N)s1 ZINC000191935404 1091100621 /nfs/dbraw/zinc/10/06/21/1091100621.db2.gz RWGZBZJHXLNJIK-UHFFFAOYSA-N -1 1 370.297 4.389 20 0 FIADMM Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122054 1091269575 /nfs/dbraw/zinc/26/95/75/1091269575.db2.gz XJNXASAGQSSVQB-PVXIVEMSSA-N -1 1 362.857 4.407 20 0 FIADMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC(C)(C)C1 ZINC001211705684 1091961274 /nfs/dbraw/zinc/96/12/74/1091961274.db2.gz VIEMEYMWGQFYEC-VXGBXAGGSA-N -1 1 363.445 4.235 20 0 FIADMM CCCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000500460446 1092099456 /nfs/dbraw/zinc/09/94/56/1092099456.db2.gz JSAUGAJDRJDYIY-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM CCCC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000500533166 1092199515 /nfs/dbraw/zinc/19/95/15/1092199515.db2.gz NLMWFWHJSSZHDC-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM Cc1ccc(Cc2cnc(NC([O-])=Nc3ccn(C(C)C)n3)s2)cc1C ZINC000441877628 1092302751 /nfs/dbraw/zinc/30/27/51/1092302751.db2.gz ITIIXSKQJXHFSI-UHFFFAOYSA-N -1 1 369.494 4.194 20 0 FIADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000521003834 1092413321 /nfs/dbraw/zinc/41/33/21/1092413321.db2.gz ZZRSVCHNFOEPGP-UHFFFAOYSA-N -1 1 361.410 4.369 20 0 FIADMM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000028259962 1092518599 /nfs/dbraw/zinc/51/85/99/1092518599.db2.gz XEVKKZSTXZOYBE-UHFFFAOYSA-N -1 1 353.390 4.087 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1 ZINC000521285913 1092617233 /nfs/dbraw/zinc/61/72/33/1092617233.db2.gz GDYWYXVTDQWUNZ-UHFFFAOYSA-N -1 1 369.490 4.086 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000521526857 1092748897 /nfs/dbraw/zinc/74/88/97/1092748897.db2.gz PUPWBQIDMKZPTP-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1scnc1C1CCCC1 ZINC000544819564 1092789461 /nfs/dbraw/zinc/78/94/61/1092789461.db2.gz PTYNACFRUDJCJO-UHFFFAOYSA-N -1 1 354.435 4.149 20 0 FIADMM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442867259 1092812455 /nfs/dbraw/zinc/81/24/55/1092812455.db2.gz YECZOYIHYKCSDC-UHFFFAOYSA-N -1 1 354.233 4.370 20 0 FIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000473417519 1092837960 /nfs/dbraw/zinc/83/79/60/1092837960.db2.gz BOPZRRXLSFLFPX-UHFFFAOYSA-N -1 1 355.463 4.105 20 0 FIADMM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1c(F)cccc1F ZINC000110380943 1092872730 /nfs/dbraw/zinc/87/27/30/1092872730.db2.gz JOSCDPUWQZVOTI-UHFFFAOYSA-N -1 1 351.765 4.389 20 0 FIADMM COc1cc(C(=O)Nc2ccc(F)cc2NC(C)C)cc(Cl)c1[O-] ZINC000442964322 1092890590 /nfs/dbraw/zinc/89/05/90/1092890590.db2.gz GRUCDHJHRCXSIK-UHFFFAOYSA-N -1 1 352.793 4.266 20 0 FIADMM COc1cc(C(=O)NCc2ccc(-c3ccccc3)o2)cc(Cl)c1[O-] ZINC000442972459 1092900344 /nfs/dbraw/zinc/90/03/44/1092900344.db2.gz ZWDQSFBYQGDMEW-UHFFFAOYSA-N -1 1 357.793 4.244 20 0 FIADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](C)Cc1ccsc1 ZINC000442992081 1092901323 /nfs/dbraw/zinc/90/13/23/1092901323.db2.gz VIXXLZCPRKFLSH-LLVKDONJSA-N -1 1 353.871 4.209 20 0 FIADMM COc1cc(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)cc(Cl)c1[O-] ZINC000443042393 1092922265 /nfs/dbraw/zinc/92/22/65/1092922265.db2.gz CCFKEBYMCMFTTN-INIZCTEOSA-N -1 1 369.795 4.460 20 0 FIADMM COc1ccc2c(c1)N(C(=O)c1cc(Cl)c([O-])c(OC)c1)CCCC2 ZINC000443079604 1092939205 /nfs/dbraw/zinc/93/92/05/1092939205.db2.gz ZNVRDHQYSXQUPS-UHFFFAOYSA-N -1 1 361.825 4.046 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)cc(Cl)c1[O-] ZINC000443117518 1092950895 /nfs/dbraw/zinc/95/08/95/1092950895.db2.gz GGQRYTHESAWQNA-FQEVSTJZSA-N -1 1 359.853 4.292 20 0 FIADMM COc1cc(-c2nc(Cc3c(F)cccc3Cl)no2)cc(Cl)c1[O-] ZINC000443194995 1092984640 /nfs/dbraw/zinc/98/46/40/1092984640.db2.gz QGYVHQMRZUHZNN-UHFFFAOYSA-N -1 1 369.179 4.488 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc4nccnc4c3)no2)cc(Cl)c1[O-] ZINC000443209989 1092985587 /nfs/dbraw/zinc/98/55/87/1092985587.db2.gz UNMSQAGZZSKZHH-UHFFFAOYSA-N -1 1 368.780 4.105 20 0 FIADMM COc1ccc(C)cc1Cc1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443219006 1092995294 /nfs/dbraw/zinc/99/52/94/1092995294.db2.gz SEHWOSRETYAGSL-UHFFFAOYSA-N -1 1 360.797 4.012 20 0 FIADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2coc3c2C(=O)CCC3)s1 ZINC001271110091 1093023746 /nfs/dbraw/zinc/02/37/46/1093023746.db2.gz ZAQQOEOWMAKPRL-UHFFFAOYSA-N -1 1 371.393 4.017 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cc(Cl)c1[O-] ZINC000443281846 1093032131 /nfs/dbraw/zinc/03/21/31/1093032131.db2.gz HGZHDYHCPSHMTQ-DZGCQCFKSA-N -1 1 359.853 4.148 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000443408119 1093098478 /nfs/dbraw/zinc/09/84/78/1093098478.db2.gz SCGIVWUPSHLDBO-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000443408391 1093098925 /nfs/dbraw/zinc/09/89/25/1093098925.db2.gz HHMQHRMWIGNWDT-UHFFFAOYSA-N -1 1 368.458 4.257 20 0 FIADMM CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000608349931 1093155954 /nfs/dbraw/zinc/15/59/54/1093155954.db2.gz IYCSLXNVHVENEQ-OAQYLSRUSA-N -1 1 365.473 4.253 20 0 FIADMM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113364951 1093318726 /nfs/dbraw/zinc/31/87/26/1093318726.db2.gz NUHRXSLRFJCLMI-KRWDZBQOSA-N -1 1 369.852 4.046 20 0 FIADMM Cc1ccc(NC(=O)[C@H](C)C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000522323667 1093321908 /nfs/dbraw/zinc/32/19/08/1093321908.db2.gz XTXGDKGUAIDXJK-HNNXBMFYSA-N -1 1 374.506 4.417 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000512820734 1093392751 /nfs/dbraw/zinc/39/27/51/1093392751.db2.gz NEBXMFDTNCFILI-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM CCOc1cc(C(=O)NCc2ccc(Cl)cc2F)cc(Cl)c1[O-] ZINC000428288650 1093429730 /nfs/dbraw/zinc/42/97/30/1093429730.db2.gz QZQLFRIATQWXKB-UHFFFAOYSA-N -1 1 358.196 4.167 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)n1 ZINC000011443506 1093483242 /nfs/dbraw/zinc/48/32/42/1093483242.db2.gz PAJMRDGGUZEWSY-UONOGXRCSA-N -1 1 373.522 4.355 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](Cc4ccccc4)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000474175883 1093548948 /nfs/dbraw/zinc/54/89/48/1093548948.db2.gz LPQCOAGMVCOTKO-HKUYNNGSSA-N -1 1 374.488 4.319 20 0 FIADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261744771 1093745591 /nfs/dbraw/zinc/74/55/91/1093745591.db2.gz UCJAXEAFXAZSCH-ZDUSSCGKSA-N -1 1 355.278 4.021 20 0 FIADMM CCN(CC)[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000474432944 1093781285 /nfs/dbraw/zinc/78/12/85/1093781285.db2.gz RYOUCLOVEFLIDD-MRXNPFEDSA-N -1 1 350.821 4.206 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000474498357 1093845228 /nfs/dbraw/zinc/84/52/28/1093845228.db2.gz PVWFYZXHAWBEHF-UHFFFAOYSA-N -1 1 369.509 4.058 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(F)c1 ZINC000473507901 1093893318 /nfs/dbraw/zinc/89/33/18/1093893318.db2.gz XDYAQSVJBMLTJA-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM O=S(=O)([N-]CCC1=CCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000513158556 1093935212 /nfs/dbraw/zinc/93/52/12/1093935212.db2.gz BWZZKPSOYMORKL-UHFFFAOYSA-N -1 1 353.793 4.138 20 0 FIADMM Cc1cc(Cl)cc(C)c1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937132 1093948604 /nfs/dbraw/zinc/94/86/04/1093948604.db2.gz SUMQKAMBMDOBKR-UHFFFAOYSA-N -1 1 351.770 4.042 20 0 FIADMM Cc1cc(-c2noc([C@@H](C)NCc3cccc([O-])c3Cl)n2)ccc1F ZINC000513164355 1093960004 /nfs/dbraw/zinc/96/00/04/1093960004.db2.gz DSQXSLKLTRFTBG-LLVKDONJSA-N -1 1 361.804 4.394 20 0 FIADMM Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc(C(C)(C)C)c1 ZINC001167939965 1093967271 /nfs/dbraw/zinc/96/72/71/1093967271.db2.gz SNKLHGIEBYQBTL-UHFFFAOYSA-N -1 1 359.406 4.377 20 0 FIADMM CC(C)Sc1cc(Br)ccc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000263378182 1094062523 /nfs/dbraw/zinc/06/25/23/1094062523.db2.gz BBFULLZBOHIYLL-ZDUSSCGKSA-N -1 1 372.328 4.246 20 0 FIADMM C[C@@H]1CCc2onc(C(=O)[N-]c3c(F)cc(Br)cc3F)c2C1 ZINC000433867522 1094156227 /nfs/dbraw/zinc/15/62/27/1094156227.db2.gz IPKRXJCPXXLRKY-SSDOTTSWSA-N -1 1 371.181 4.092 20 0 FIADMM CCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccccc1Cl ZINC000192123531 1095029340 /nfs/dbraw/zinc/02/93/40/1095029340.db2.gz YYCZIXBXJFQKIG-UHFFFAOYSA-N -1 1 359.788 4.185 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000192233946 1095038961 /nfs/dbraw/zinc/03/89/61/1095038961.db2.gz ZSZXKPWTSWEHQV-UHFFFAOYSA-N -1 1 357.360 4.061 20 0 FIADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(OC(F)F)c(Cl)c1 ZINC000508447969 1095108826 /nfs/dbraw/zinc/10/88/26/1095108826.db2.gz GJFUBLOLCOWJIP-UHFFFAOYSA-N -1 1 372.780 4.224 20 0 FIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000508447567 1095160296 /nfs/dbraw/zinc/16/02/96/1095160296.db2.gz DVXOVIVLFZWENL-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccccc1OC(F)F ZINC000007409146 1095283535 /nfs/dbraw/zinc/28/35/35/1095283535.db2.gz JKWPEBHRKOKPIH-MDZDMXLPSA-N -1 1 359.781 4.354 20 0 FIADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2sccc2C2CC2)[nH][n-]1 ZINC000522672553 1095292885 /nfs/dbraw/zinc/29/28/85/1095292885.db2.gz RHAJNGCLOYGMFN-UHFFFAOYSA-N -1 1 373.865 4.352 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000509540184 1095585655 /nfs/dbraw/zinc/58/56/55/1095585655.db2.gz OSUXHBBHMJEGMI-UHFFFAOYSA-N -1 1 360.262 4.365 20 0 FIADMM COc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1SC ZINC000522830230 1095749289 /nfs/dbraw/zinc/74/92/89/1095749289.db2.gz UMQHTAAAEFVKBB-UHFFFAOYSA-N -1 1 362.398 4.224 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC(c2cccc(F)c2)C1 ZINC000522915270 1095881234 /nfs/dbraw/zinc/88/12/34/1095881234.db2.gz STJOBWGMEYAHJZ-UHFFFAOYSA-N -1 1 351.381 4.054 20 0 FIADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000414687211 1096464528 /nfs/dbraw/zinc/46/45/28/1096464528.db2.gz WOLJYCJXLWSFDW-OAHLLOKOSA-N -1 1 353.340 4.405 20 0 FIADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)cc(Cl)c1[O-] ZINC000435964234 1098605792 /nfs/dbraw/zinc/60/57/92/1098605792.db2.gz FRMNQFWOJRZXQD-FUHWJXTLSA-N -1 1 367.832 4.493 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000436019462 1098662663 /nfs/dbraw/zinc/66/26/63/1098662663.db2.gz VWWOZRHQQOAKGD-UHFFFAOYSA-N -1 1 363.382 4.108 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000436157250 1098775650 /nfs/dbraw/zinc/77/56/50/1098775650.db2.gz YICOSBOEFXPNHQ-UHFFFAOYSA-N -1 1 358.463 4.373 20 0 FIADMM CCc1cc(=O)[n-]c(SCC(=O)N(c2ccccc2)C2CCCCC2)n1 ZINC000436196321 1098821564 /nfs/dbraw/zinc/82/15/64/1098821564.db2.gz IBZAHEDGPRUHDK-UHFFFAOYSA-N -1 1 371.506 4.203 20 0 FIADMM COc1cccc(C2(F)CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c1 ZINC000436486965 1099064296 /nfs/dbraw/zinc/06/42/96/1099064296.db2.gz JPJHIHNMZQHPLZ-UHFFFAOYSA-N -1 1 363.816 4.155 20 0 FIADMM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc([O-])cc1F ZINC000436508355 1099069595 /nfs/dbraw/zinc/06/95/95/1099069595.db2.gz ALIFNOAFYFOBDS-UHFFFAOYSA-N -1 1 361.266 4.254 20 0 FIADMM CCCN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436511503 1099072133 /nfs/dbraw/zinc/07/21/33/1099072133.db2.gz IOWWWAIWLYWTFZ-AWEZNQCLSA-N -1 1 374.868 4.315 20 0 FIADMM CCC1(CC)CN(C(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc21 ZINC000436515542 1099074830 /nfs/dbraw/zinc/07/48/30/1099074830.db2.gz RNNPCNHSVYSASX-UHFFFAOYSA-N -1 1 352.434 4.069 20 0 FIADMM CC(C)c1cc(Br)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436520292 1099076850 /nfs/dbraw/zinc/07/68/50/1099076850.db2.gz DXOTVCYKPXFLNJ-UHFFFAOYSA-N -1 1 350.212 4.236 20 0 FIADMM O=C1[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCCN1c1ccccc1 ZINC000436520015 1099077068 /nfs/dbraw/zinc/07/70/68/1099077068.db2.gz BVSAQNCSQSRNQS-OAHLLOKOSA-N -1 1 369.808 4.006 20 0 FIADMM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc2ccccc2cc1[O-] ZINC000436521057 1099078993 /nfs/dbraw/zinc/07/89/93/1099078993.db2.gz KMIJJNYMRWCYEA-LJQANCHMSA-N -1 1 363.413 4.356 20 0 FIADMM CC[C@@H]1CCc2nc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)sc2C1 ZINC000436531044 1099087457 /nfs/dbraw/zinc/08/74/57/1099087457.db2.gz CIKCBAFHNLZBTF-SECBINFHSA-N -1 1 366.870 4.278 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000436548428 1099095100 /nfs/dbraw/zinc/09/51/00/1099095100.db2.gz BYXCYMQCQCWCQE-LBPRGKRZSA-N -1 1 351.780 4.171 20 0 FIADMM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436551502 1099097733 /nfs/dbraw/zinc/09/77/33/1099097733.db2.gz ZVEQWFKFLKOCSG-PIGZYNQJSA-N -1 1 366.244 4.301 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccco1)C1CCCC1 ZINC000436551305 1099098448 /nfs/dbraw/zinc/09/84/48/1099098448.db2.gz MWZQRLQLSWQICU-UHFFFAOYSA-N -1 1 364.239 4.333 20 0 FIADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436540884 1099105820 /nfs/dbraw/zinc/10/58/20/1099105820.db2.gz UQQIPKLFHBYAJS-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(Cl)cc3[O-])nc2c1 ZINC000436541723 1099107097 /nfs/dbraw/zinc/10/70/97/1099107097.db2.gz XYXYCBZJYRTWMT-MRXNPFEDSA-N -1 1 355.825 4.208 20 0 FIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(Cl)cc3[O-])[nH]c2c1 ZINC000436541723 1099107107 /nfs/dbraw/zinc/10/71/07/1099107107.db2.gz XYXYCBZJYRTWMT-MRXNPFEDSA-N -1 1 355.825 4.208 20 0 FIADMM COc1ccc(COCc2cccc(NC(=O)c3ccccc3[O-])c2)cc1 ZINC000436541499 1099107519 /nfs/dbraw/zinc/10/75/19/1099107519.db2.gz XWMPIEJDCAAOJK-UHFFFAOYSA-N -1 1 363.413 4.370 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1cccc(Br)c1 ZINC000436559678 1099113632 /nfs/dbraw/zinc/11/36/32/1099113632.db2.gz YFQIAMWRSLRVLH-HNNXBMFYSA-N -1 1 364.214 4.271 20 0 FIADMM Cc1ccccc1[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)CO1 ZINC000436581851 1099130518 /nfs/dbraw/zinc/13/05/18/1099130518.db2.gz GFCDEVJODVCZDB-OPAMFIHVSA-N -1 1 361.441 4.456 20 0 FIADMM O=C(C[C@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000436581085 1099132388 /nfs/dbraw/zinc/13/23/88/1099132388.db2.gz YQOLPHLHZMTYNA-QGZVFWFLSA-N -1 1 355.409 4.189 20 0 FIADMM CC(C)Oc1cc(CN(C(=O)c2ccc(Cl)cc2[O-])C2CC2)ccn1 ZINC000436602213 1099138537 /nfs/dbraw/zinc/13/85/37/1099138537.db2.gz FJIIVQJGWASBOP-UHFFFAOYSA-N -1 1 360.841 4.033 20 0 FIADMM CCOc1cc(-c2nc3cnccc3s2)cc(Br)c1[O-] ZINC000436657502 1099205616 /nfs/dbraw/zinc/20/56/16/1099205616.db2.gz QYCDEPNWDTWAMI-UHFFFAOYSA-N -1 1 351.225 4.225 20 0 FIADMM O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000436689475 1099223253 /nfs/dbraw/zinc/22/32/53/1099223253.db2.gz OCIKFVZIPCYPRH-QUCCMNQESA-N -1 1 369.367 4.084 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1OCCc2sccc21 ZINC000436690816 1099223355 /nfs/dbraw/zinc/22/33/55/1099223355.db2.gz VVFSDBHASXQAEQ-BUXKBTBVSA-N -1 1 353.443 4.039 20 0 FIADMM COc1ccc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c([O-])c1 ZINC000436694798 1099228166 /nfs/dbraw/zinc/22/81/66/1099228166.db2.gz BIUOSFNVLYROOB-UHFFFAOYSA-N -1 1 350.346 4.200 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COC(C)(C)C)c2C)c1 ZINC000533647419 1099269199 /nfs/dbraw/zinc/26/91/99/1099269199.db2.gz KBMSPHHAEGQOJR-UHFFFAOYSA-N -1 1 370.449 4.226 20 0 FIADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Oc2cccnc2)cc1 ZINC000436747299 1099281894 /nfs/dbraw/zinc/28/18/94/1099281894.db2.gz KQECTLRAARHXEK-ZDUSSCGKSA-N -1 1 352.365 4.210 20 0 FIADMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752892 1099287823 /nfs/dbraw/zinc/28/78/23/1099287823.db2.gz SFFCYXAXBYTUEU-ZDUSSCGKSA-N -1 1 357.372 4.023 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc2ccccc2c1[O-] ZINC000436778085 1099299378 /nfs/dbraw/zinc/29/93/78/1099299378.db2.gz FISDYDARSTVEFN-NRFANRHFSA-N -1 1 354.409 4.460 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000436767661 1099309511 /nfs/dbraw/zinc/30/95/11/1099309511.db2.gz HBLREZJYEMKRDO-OAHLLOKOSA-N -1 1 367.342 4.397 20 0 FIADMM Cc1c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cccc1-c1ccccn1 ZINC000533675189 1099314712 /nfs/dbraw/zinc/31/47/12/1099314712.db2.gz SKLNJKFCLXSSLD-UHFFFAOYSA-N -1 1 360.442 4.183 20 0 FIADMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@H](C)Cc1ccsc1 ZINC000436784829 1099317201 /nfs/dbraw/zinc/31/72/01/1099317201.db2.gz YSZQOKKCKRPKGW-LLVKDONJSA-N -1 1 368.296 4.310 20 0 FIADMM Cn1ccnc1COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436794363 1099325528 /nfs/dbraw/zinc/32/55/28/1099325528.db2.gz VQFVYNNRMKEYCN-UHFFFAOYSA-N -1 1 373.412 4.110 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000436815893 1099328054 /nfs/dbraw/zinc/32/80/54/1099328054.db2.gz MWJGLZUNDIKSDH-HXUWFJFHSA-N -1 1 367.832 4.413 20 0 FIADMM COCCOc1cc(C)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436798885 1099328824 /nfs/dbraw/zinc/32/88/24/1099328824.db2.gz WNOKBLZZVVVNDA-UHFFFAOYSA-N -1 1 351.402 4.131 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000436818533 1099330825 /nfs/dbraw/zinc/33/08/25/1099330825.db2.gz VQEXSJIMHPPBEB-LJQANCHMSA-N -1 1 367.832 4.413 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)c([O-])c1 ZINC000436804945 1099332258 /nfs/dbraw/zinc/33/22/58/1099332258.db2.gz CJEMLODVTVEANO-UHFFFAOYSA-N -1 1 355.419 4.162 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1noc(Cc2ccccc2)n1 ZINC000436807087 1099334108 /nfs/dbraw/zinc/33/41/08/1099334108.db2.gz HQAWNHKBZQRUMT-AWEZNQCLSA-N -1 1 373.412 4.010 20 0 FIADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436821694 1099349618 /nfs/dbraw/zinc/34/96/18/1099349618.db2.gz XJZIOOMAXTWTNF-JLHYYAGUSA-N -1 1 360.251 4.330 20 0 FIADMM CCOc1ccc(OC)cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436820560 1099349723 /nfs/dbraw/zinc/34/97/23/1099349723.db2.gz RZIPGPBJXYAHQV-UHFFFAOYSA-N -1 1 355.312 4.071 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1OCCc2sccc21 ZINC000436824624 1099350543 /nfs/dbraw/zinc/35/05/43/1099350543.db2.gz HXRDEZAFFNMCKF-HXPMCKFVSA-N -1 1 353.443 4.039 20 0 FIADMM CC(C)n1cc2cc(NC(=O)c3cc(Br)ccc3[O-])ccc2n1 ZINC000436846900 1099366283 /nfs/dbraw/zinc/36/62/83/1099366283.db2.gz ZAVVQXLKYDOOMT-UHFFFAOYSA-N -1 1 374.238 4.338 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000436850951 1099367131 /nfs/dbraw/zinc/36/71/31/1099367131.db2.gz JROLGAWVNCEKJF-CQSZACIVSA-N -1 1 360.251 4.175 20 0 FIADMM CCOc1cc(-c2noc(-c3coc(C)c3)n2)cc(Br)c1[O-] ZINC000436875780 1099387755 /nfs/dbraw/zinc/38/77/55/1099387755.db2.gz FFFWICDTOXXEIU-UHFFFAOYSA-N -1 1 365.183 4.172 20 0 FIADMM O=C([O-])C1(CN2CCC[C@H]2c2ccc(Br)cc2Cl)CC1 ZINC000629373027 1099392971 /nfs/dbraw/zinc/39/29/71/1099392971.db2.gz IWFNLJBLWRZLSO-ZDUSSCGKSA-N -1 1 358.663 4.104 20 0 FIADMM CC[C@H](C)c1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])on1 ZINC000436894705 1099393178 /nfs/dbraw/zinc/39/31/78/1099393178.db2.gz RQFJUVARQPCJGJ-VIFPVBQESA-N -1 1 353.216 4.217 20 0 FIADMM Cc1c(Br)scc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880235 1099396068 /nfs/dbraw/zinc/39/60/68/1099396068.db2.gz QGWSUDMDZXGELE-UHFFFAOYSA-N -1 1 355.188 4.381 20 0 FIADMM CCCNc1ccc(Cl)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436937273 1099448812 /nfs/dbraw/zinc/44/88/12/1099448812.db2.gz PYHXFSMSYZBAGQ-UHFFFAOYSA-N -1 1 361.829 4.078 20 0 FIADMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc2ccccc2c1[O-] ZINC000436941082 1099452644 /nfs/dbraw/zinc/45/26/44/1099452644.db2.gz ONQYLCVGRRITIH-XLIONFOSSA-N -1 1 365.404 4.335 20 0 FIADMM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc2ccccc2cc1[O-] ZINC000436943111 1099455044 /nfs/dbraw/zinc/45/50/44/1099455044.db2.gz YOMYOTDXUQDHLF-RXVVDRJESA-N -1 1 365.404 4.335 20 0 FIADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436967101 1099464421 /nfs/dbraw/zinc/46/44/21/1099464421.db2.gz OJSBFRLDKJZRNZ-LJQANCHMSA-N -1 1 357.413 4.130 20 0 FIADMM O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc([O-])cc1F ZINC000436954059 1099470359 /nfs/dbraw/zinc/47/03/59/1099470359.db2.gz DOHJCKOJXOXPET-CQSZACIVSA-N -1 1 369.421 4.103 20 0 FIADMM Cc1ncsc1CN(C)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000320449705 1099536452 /nfs/dbraw/zinc/53/64/52/1099536452.db2.gz VMDNNKDFBMZLDD-UHFFFAOYSA-N -1 1 350.440 4.136 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C)ccc1Cl ZINC000162248482 1099668923 /nfs/dbraw/zinc/66/89/23/1099668923.db2.gz FYEYKGOUDOWVGB-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM O=C([O-])C1CCC(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000516773240 1099789876 /nfs/dbraw/zinc/78/98/76/1099789876.db2.gz PPSCOTGHTKEPMS-UHFFFAOYSA-N -1 1 355.438 4.050 20 0 FIADMM O=C([O-])C1CN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000263516324 1099798838 /nfs/dbraw/zinc/79/88/38/1099798838.db2.gz OSSGOTPNJNCENR-UHFFFAOYSA-N -1 1 351.324 4.014 20 0 FIADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Br)c([O-])c1 ZINC000437378544 1099872257 /nfs/dbraw/zinc/87/22/57/1099872257.db2.gz YPAPQHLVHFZFPU-GXTWGEPZSA-N -1 1 366.642 4.094 20 0 FIADMM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000517036033 1099997861 /nfs/dbraw/zinc/99/78/61/1099997861.db2.gz XXTFKBWYXKEUHE-WHCBVINPSA-N -1 1 372.292 4.256 20 0 FIADMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000437911060 1100308834 /nfs/dbraw/zinc/30/88/34/1100308834.db2.gz ABLOMXOATTUKIJ-UHFFFAOYSA-N -1 1 355.438 4.170 20 0 FIADMM CC(C)Oc1cc(Br)cc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000426005613 1100652481 /nfs/dbraw/zinc/65/24/81/1100652481.db2.gz SWUSJAODINJUMG-UHFFFAOYSA-N -1 1 370.268 4.037 20 0 FIADMM Cc1sc2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)[n-]c(=O)c2c1C ZINC000426121484 1100875629 /nfs/dbraw/zinc/87/56/29/1100875629.db2.gz AZUPTYVJOXAGHQ-LLVKDONJSA-N -1 1 367.474 4.305 20 0 FIADMM O=C([O-])c1ccc(-c2nc(CN3CCS[C@@H]4CCCC[C@@H]43)cs2)cc1 ZINC000518386211 1101137131 /nfs/dbraw/zinc/13/71/31/1101137131.db2.gz GORFRVVOCQZSKQ-DLBZAZTESA-N -1 1 374.531 4.368 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cccc(-c4cscn4)c3)[nH][n-]2)s1 ZINC000439143829 1101198679 /nfs/dbraw/zinc/19/86/79/1101198679.db2.gz SRPZUPZVDMTGBE-UHFFFAOYSA-N -1 1 366.471 4.244 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1cc(Cl)ccc1C(F)(F)F ZINC000506585312 1101465462 /nfs/dbraw/zinc/46/54/62/1101465462.db2.gz RKJSZWKIIVTCHI-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000537196917 1101530625 /nfs/dbraw/zinc/53/06/25/1101530625.db2.gz ZAIROQOGKHCORJ-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000509610361 1101558469 /nfs/dbraw/zinc/55/84/69/1101558469.db2.gz JXXADOWDJDKVBF-UHFFFAOYSA-N -1 1 351.296 4.444 20 0 FIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000509612395 1101559939 /nfs/dbraw/zinc/55/99/39/1101559939.db2.gz YDQCDNDIEWEYPE-UHFFFAOYSA-N -1 1 369.490 4.297 20 0 FIADMM CC(C)Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000055315457 1101636945 /nfs/dbraw/zinc/63/69/45/1101636945.db2.gz HOGGNUAINUMTRB-UHFFFAOYSA-N -1 1 365.473 4.326 20 0 FIADMM COc1cccc(-c2nsc(NC([O-])=C(C)c3cccc(Cl)c3)n2)c1 ZINC000460149798 1101652274 /nfs/dbraw/zinc/65/22/74/1101652274.db2.gz KKMDINFTIYXDCQ-LLVKDONJSA-N -1 1 373.865 4.031 20 0 FIADMM CC(C)c1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000518868804 1101691292 /nfs/dbraw/zinc/69/12/92/1101691292.db2.gz MEOAXCGOJBLJRV-UHFFFAOYSA-N -1 1 356.369 4.299 20 0 FIADMM Cc1nc(CN2CCC[C@@H](CCC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000263059583 1101727921 /nfs/dbraw/zinc/72/79/21/1101727921.db2.gz FHXLSLTWUITKFR-AWEZNQCLSA-N -1 1 362.857 4.380 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000428540968 1101834577 /nfs/dbraw/zinc/83/45/77/1101834577.db2.gz OKWPRRREMMTVHC-KRWDZBQOSA-N -1 1 367.493 4.329 20 0 FIADMM O=c1nc([C@@H]2COc3ccccc3O2)[n-]c2sc(-c3ccccc3)cc21 ZINC000012977993 1101863091 /nfs/dbraw/zinc/86/30/91/1101863091.db2.gz IQOFFRIEHWULTG-INIZCTEOSA-N -1 1 362.410 4.164 20 0 FIADMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(c3)COC4)c2)o1 ZINC000475826073 1101985997 /nfs/dbraw/zinc/98/59/97/1101985997.db2.gz AYOUMMZZXZKGSM-UHFFFAOYSA-N -1 1 369.442 4.394 20 0 FIADMM O=C([O-])CC[C@@H]1CCCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000263182199 1101987153 /nfs/dbraw/zinc/98/71/53/1101987153.db2.gz UJDMKHPJFRDZCT-LBPRGKRZSA-N -1 1 366.433 4.165 20 0 FIADMM CCC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CC1 ZINC000298834131 1102011767 /nfs/dbraw/zinc/01/17/67/1102011767.db2.gz CTBPZRSQBURIFX-UHFFFAOYSA-N -1 1 363.049 4.046 20 0 FIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 ZINC000476207571 1102040692 /nfs/dbraw/zinc/04/06/92/1102040692.db2.gz ZJTNACQWHZLHKG-SNVBAGLBSA-N -1 1 359.854 4.048 20 0 FIADMM O=S(=O)([N-]c1cccc(COc2cccc(F)c2)c1)c1ccccc1 ZINC000032596831 1102049212 /nfs/dbraw/zinc/04/92/12/1102049212.db2.gz FDAHTARHADUQEH-UHFFFAOYSA-N -1 1 357.406 4.206 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC000506798471 1102128869 /nfs/dbraw/zinc/12/88/69/1102128869.db2.gz SNEHNVHOFHXSCJ-UHFFFAOYSA-N -1 1 367.470 4.343 20 0 FIADMM Cc1cnc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c([O-])c1 ZINC000426620336 1102166553 /nfs/dbraw/zinc/16/65/53/1102166553.db2.gz OTBZVCFVNWKCRU-UHFFFAOYSA-N -1 1 351.233 4.207 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2CCC2(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000666410950 1102190074 /nfs/dbraw/zinc/19/00/74/1102190074.db2.gz KUHAMLDUWUBPLI-KRWDZBQOSA-N -1 1 372.490 4.171 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(F)cc1F ZINC000440317376 1102191937 /nfs/dbraw/zinc/19/19/37/1102191937.db2.gz YEIPBJGONVBPRS-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000016147508 1102292987 /nfs/dbraw/zinc/29/29/87/1102292987.db2.gz AGQVBHZJUCFOBK-UHFFFAOYSA-N -1 1 355.630 4.052 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3[nH]ccc3s2)c1 ZINC000476560966 1102344782 /nfs/dbraw/zinc/34/47/82/1102344782.db2.gz IEEWKEHOHNXUSO-UHFFFAOYSA-N -1 1 351.225 4.258 20 0 FIADMM CCc1nc(CNCc2cc(-c3ccccc3)cs2)ccc1C(=O)[O-] ZINC000426660052 1102433700 /nfs/dbraw/zinc/43/37/00/1102433700.db2.gz LBNGEQNGHDRWNI-UHFFFAOYSA-N -1 1 352.459 4.361 20 0 FIADMM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000506846710 1102433885 /nfs/dbraw/zinc/43/38/85/1102433885.db2.gz KMKPASODYPGWPS-CQSZACIVSA-N -1 1 350.509 4.236 20 0 FIADMM CN(Cc1ccc(Br)o1)C(=O)c1ccc2ccccc2c1[O-] ZINC000121790962 1102437674 /nfs/dbraw/zinc/43/76/74/1102437674.db2.gz SREXPYSMGKEGRU-UHFFFAOYSA-N -1 1 360.207 4.173 20 0 FIADMM Cc1nn(-c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)c(C)c1Cl ZINC000532621050 1102596024 /nfs/dbraw/zinc/59/60/24/1102596024.db2.gz KMGCUTUHFGBLQQ-UHFFFAOYSA-N -1 1 359.788 4.240 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000532622297 1102597635 /nfs/dbraw/zinc/59/76/35/1102597635.db2.gz XAQBKSYCIRJCGI-VXGBXAGGSA-N -1 1 355.287 4.172 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1 ZINC000112193225 1102799290 /nfs/dbraw/zinc/79/92/90/1102799290.db2.gz UBKNRIIVWZPNLN-UHFFFAOYSA-N -1 1 370.430 4.073 20 0 FIADMM COc1cc(Cl)c(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1Cl ZINC000426685081 1102918062 /nfs/dbraw/zinc/91/80/62/1102918062.db2.gz FWTTVJNTUSARHQ-ZDUSSCGKSA-N -1 1 360.262 4.369 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(-c2cccs2)s1)c1ccsc1 ZINC000426694556 1102925927 /nfs/dbraw/zinc/92/59/27/1102925927.db2.gz DFLUOGFWWCMMHZ-LBPRGKRZSA-N -1 1 350.490 4.239 20 0 FIADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)ccc1Cl ZINC000426734310 1102953709 /nfs/dbraw/zinc/95/37/09/1102953709.db2.gz PSFIHXHIZGWYRZ-IBGZPJMESA-N -1 1 369.852 4.140 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(F)(F)F)cc1 ZINC000551188637 1102960626 /nfs/dbraw/zinc/96/06/26/1102960626.db2.gz RKSTVXYSKWHLAS-UHFFFAOYSA-N -1 1 373.396 4.467 20 0 FIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(C2CCCCC2)cc1 ZINC000614840686 1102963072 /nfs/dbraw/zinc/96/30/72/1102963072.db2.gz RDDZQMRAFADFCK-UHFFFAOYSA-N -1 1 367.474 4.478 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000426748068 1102965063 /nfs/dbraw/zinc/96/50/63/1102965063.db2.gz UOIJLYUEOVMNCY-IFXJQAMLSA-N -1 1 352.459 4.362 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000426758347 1102973392 /nfs/dbraw/zinc/97/33/92/1102973392.db2.gz RYMQAXOMDFETQE-RDTXWAMCSA-N -1 1 352.459 4.362 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 ZINC000426781397 1102983872 /nfs/dbraw/zinc/98/38/72/1102983872.db2.gz BTKMWOWJMQTARK-AWEZNQCLSA-N -1 1 361.722 4.413 20 0 FIADMM Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)nc1 ZINC000426765621 1102986038 /nfs/dbraw/zinc/98/60/38/1102986038.db2.gz QKHHHUYTEWRHCB-MRXNPFEDSA-N -1 1 353.249 4.393 20 0 FIADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cccc3c2OCCCO3)cc1 ZINC000426769223 1102986978 /nfs/dbraw/zinc/98/69/78/1102986978.db2.gz HBZJVLHNUOXNME-LJQANCHMSA-N -1 1 369.461 4.277 20 0 FIADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(Cl)c1 ZINC000426806877 1102989354 /nfs/dbraw/zinc/98/93/54/1102989354.db2.gz LMVKKHVFUZZIIE-INIZCTEOSA-N -1 1 354.233 4.308 20 0 FIADMM CCc1ccc([C@H](NCc2ccc(F)cc2Br)C(=O)[O-])cc1 ZINC000426797353 1102996824 /nfs/dbraw/zinc/99/68/24/1102996824.db2.gz AXCLARWYPLIOSA-INIZCTEOSA-N -1 1 366.230 4.066 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(Br)c1)c1ccc(F)cc1F ZINC000426809868 1103005842 /nfs/dbraw/zinc/00/58/42/1103005842.db2.gz XDPVWWZZJBROLO-HNNXBMFYSA-N -1 1 370.193 4.033 20 0 FIADMM COc1ccc(OC)c(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c1 ZINC000426810533 1103006880 /nfs/dbraw/zinc/00/68/80/1103006880.db2.gz PIVVAIYVYIXMEI-LJQANCHMSA-N -1 1 357.450 4.133 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000426811520 1103006917 /nfs/dbraw/zinc/00/69/17/1103006917.db2.gz MWJLLNRGQMTUTB-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])C[C@H](NCc1ccsc1Cl)c1cccc(Br)c1 ZINC000426821407 1103017017 /nfs/dbraw/zinc/01/70/17/1103017017.db2.gz SJFOIEYDWGLBJA-LBPRGKRZSA-N -1 1 374.687 4.470 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC001211973776 1103124386 /nfs/dbraw/zinc/12/43/86/1103124386.db2.gz OHGXCWOFKISTGC-JKSUJKDBSA-N -1 1 365.445 4.135 20 0 FIADMM Cc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cccc1-c1ccccn1 ZINC000477119380 1103128135 /nfs/dbraw/zinc/12/81/35/1103128135.db2.gz BCRCLRKNHPIJKH-UHFFFAOYSA-N -1 1 370.412 4.405 20 0 FIADMM CC(C)[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1 ZINC000477124869 1103149137 /nfs/dbraw/zinc/14/91/37/1103149137.db2.gz LMCGPSUWBYYJNB-LJQANCHMSA-N -1 1 353.397 4.300 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1Cl ZINC000427101587 1103255880 /nfs/dbraw/zinc/25/58/80/1103255880.db2.gz PPVIIWLOHZTKGV-UHFFFAOYSA-N -1 1 368.867 4.068 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4cnco4)cc3)cc2s1 ZINC000427112934 1103269139 /nfs/dbraw/zinc/26/91/39/1103269139.db2.gz GCJUVNLSSODODW-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM CN(C(=O)c1ncccc1[O-])[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000427261942 1103389363 /nfs/dbraw/zinc/38/93/63/1103389363.db2.gz CEQSCZINOBKXMS-IBGZPJMESA-N -1 1 370.811 4.441 20 0 FIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000083955095 1103481758 /nfs/dbraw/zinc/48/17/58/1103481758.db2.gz AWGBNTBUXFWILQ-UHFFFAOYSA-N -1 1 363.442 4.041 20 0 FIADMM O=C([O-])CCN(CCSc1ccc(F)cc1)Cc1cccc(F)c1F ZINC000519831243 1103887261 /nfs/dbraw/zinc/88/72/61/1103887261.db2.gz VBAIBULOSWPSOG-UHFFFAOYSA-N -1 1 369.408 4.173 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(-n2cccn2)cc1 ZINC000440818632 1103965426 /nfs/dbraw/zinc/96/54/26/1103965426.db2.gz AKZRWAKUYPASRX-OAHLLOKOSA-N -1 1 357.413 4.222 20 0 FIADMM O=C(NCC(c1ccccc1)c1ccccc1)c1c(F)ccc([O-])c1F ZINC000538281890 1104101014 /nfs/dbraw/zinc/10/10/14/1104101014.db2.gz ARCHTDFMSSYPMQ-UHFFFAOYSA-N -1 1 353.368 4.232 20 0 FIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)cc(F)c3)c2C1 ZINC000461114575 1104111340 /nfs/dbraw/zinc/11/13/40/1104111340.db2.gz SVKRSCGMAUSIMK-UHFFFAOYSA-N -1 1 362.470 4.051 20 0 FIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000025741227 1104143358 /nfs/dbraw/zinc/14/33/58/1104143358.db2.gz KTLYHEICQOEPPT-UHFFFAOYSA-N -1 1 366.870 4.125 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000520279750 1104221002 /nfs/dbraw/zinc/22/10/02/1104221002.db2.gz TYGMFUHUUAHWRP-UHFFFAOYSA-N -1 1 350.871 4.049 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1C ZINC000520285558 1104231498 /nfs/dbraw/zinc/23/14/98/1104231498.db2.gz OEHCTEODRJGQAM-UHFFFAOYSA-N -1 1 358.507 4.485 20 0 FIADMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc(-c2cccs2)on1 ZINC000520440885 1104647524 /nfs/dbraw/zinc/64/75/24/1104647524.db2.gz UYUWBRNKKCCLOU-UHFFFAOYSA-N -1 1 371.809 4.094 20 0 FIADMM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000331182746 1104707919 /nfs/dbraw/zinc/70/79/19/1104707919.db2.gz HSHRUXPIXOLELH-UHFFFAOYSA-N -1 1 371.336 4.033 20 0 FIADMM CCCCOc1ccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c([O-])c1 ZINC000190505657 1104903095 /nfs/dbraw/zinc/90/30/95/1104903095.db2.gz HIIKFRDPVKRDJJ-UHFFFAOYSA-N -1 1 367.405 4.182 20 0 FIADMM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000520624610 1105061041 /nfs/dbraw/zinc/06/10/41/1105061041.db2.gz PXTROOCEGPKMDR-UHFFFAOYSA-N -1 1 369.895 4.188 20 0 FIADMM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc21 ZINC000032097957 1105143413 /nfs/dbraw/zinc/14/34/13/1105143413.db2.gz SADPAEAMDWKEBJ-UHFFFAOYSA-N -1 1 372.494 4.111 20 0 FIADMM CN(Cc1cccc([O-])c1Cl)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000508009531 1105295508 /nfs/dbraw/zinc/29/55/08/1105295508.db2.gz QBOMGFNDQYMSGY-LJQANCHMSA-N -1 1 359.832 4.140 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508057690 1105314627 /nfs/dbraw/zinc/31/46/27/1105314627.db2.gz OOFAZQBASGGRBD-CYBMUJFWSA-N -1 1 374.409 4.120 20 0 FIADMM CC1(C)CC(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000428005665 1105342522 /nfs/dbraw/zinc/34/25/22/1105342522.db2.gz KXIUGEQMFCDXRQ-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM [O-]c1cccc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1Cl ZINC000508161349 1105343881 /nfs/dbraw/zinc/34/38/81/1105343881.db2.gz LBNIFEILSJTBSW-MRXNPFEDSA-N -1 1 356.224 4.412 20 0 FIADMM Cc1cc(Br)c(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1Cl ZINC000530166727 1106872495 /nfs/dbraw/zinc/87/24/95/1106872495.db2.gz SYXFLYOPNXANMS-OTYXRUKQSA-N -1 1 360.679 4.096 20 0 FIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cs2)c1 ZINC000451023174 1106880262 /nfs/dbraw/zinc/88/02/62/1106880262.db2.gz DTVRSDYKNSHOMQ-UHFFFAOYSA-N -1 1 372.899 4.249 20 0 FIADMM O=S(=O)([N-]C12CCC(C(F)(F)F)(CC1)CC2)c1sccc1Cl ZINC000451026196 1106902108 /nfs/dbraw/zinc/90/21/08/1106902108.db2.gz LBVUEOAPGYQAIW-UHFFFAOYSA-N -1 1 373.849 4.335 20 0 FIADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(Br)ccc1Cl ZINC000530177683 1106905262 /nfs/dbraw/zinc/90/52/62/1106905262.db2.gz XVPZCUXPRHJYCE-NXEZZACHSA-N -1 1 360.679 4.176 20 0 FIADMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000614737346 1106906848 /nfs/dbraw/zinc/90/68/48/1106906848.db2.gz WNCGTLGHESHVFS-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc(OC(C)C)cc3)nc2)[n-]c(=O)c1C ZINC000301384873 1107011528 /nfs/dbraw/zinc/01/15/28/1107011528.db2.gz WOXJYCFYCMZGPA-UHFFFAOYSA-N -1 1 364.449 4.260 20 0 FIADMM CCO[C@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(CC)CC ZINC000301608315 1107086603 /nfs/dbraw/zinc/08/66/03/1107086603.db2.gz ZYBKAUGDAZOKEC-IRXDYDNUSA-N -1 1 370.497 4.257 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CC12CCCC2 ZINC000530854572 1107358779 /nfs/dbraw/zinc/35/87/79/1107358779.db2.gz VTCCVASMSPLADO-SFHVURJKSA-N -1 1 370.474 4.006 20 0 FIADMM Cc1cc(C)c2c(c1)CN(c1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)CC2 ZINC000302506252 1107377352 /nfs/dbraw/zinc/37/73/52/1107377352.db2.gz WKCCPPOBXIXJIE-UHFFFAOYSA-N -1 1 360.461 4.041 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCCc4c(O)cccc43)nc2)[n-]c(=O)c1C ZINC000302742222 1107428095 /nfs/dbraw/zinc/42/80/95/1107428095.db2.gz ZMHUIDHBPSHBKO-KRWDZBQOSA-N -1 1 362.433 4.056 20 0 FIADMM COCc1cc(-c2nc(=O)c3c([n-]2)sc(C)c3-c2ccccc2)no1 ZINC000487484611 1107481424 /nfs/dbraw/zinc/48/14/24/1107481424.db2.gz KQDJDUHWNUUTKE-UHFFFAOYSA-N -1 1 353.403 4.174 20 0 FIADMM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000444402441 1107545512 /nfs/dbraw/zinc/54/55/12/1107545512.db2.gz AZKPMMCIHNPECH-PIGZYNQJSA-N -1 1 366.244 4.301 20 0 FIADMM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc2ccccc2o1 ZINC000531248003 1107694860 /nfs/dbraw/zinc/69/48/60/1107694860.db2.gz DQIRIJLUXNFOBH-RISCZKNCSA-N -1 1 365.813 4.060 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000614788834 1107779767 /nfs/dbraw/zinc/77/97/67/1107779767.db2.gz RTLNMQHCJKCPFV-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM CCOc1cc(C(=O)NC[C@H]2CSc3ccccc32)cc(Cl)c1[O-] ZINC000452607822 1107842563 /nfs/dbraw/zinc/84/25/63/1107842563.db2.gz WAAMMARHEFQSEW-LBPRGKRZSA-N -1 1 363.866 4.064 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(C)n1 ZINC000531515417 1107944628 /nfs/dbraw/zinc/94/46/28/1107944628.db2.gz IAPWNRIUFOEITA-UHFFFAOYSA-N -1 1 350.443 4.070 20 0 FIADMM CCc1csc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)n1 ZINC000113440348 1107945413 /nfs/dbraw/zinc/94/54/13/1107945413.db2.gz NJNXYEWVMBXNRR-NSHDSACASA-N -1 1 350.871 4.084 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000523288426 1108045613 /nfs/dbraw/zinc/04/56/13/1108045613.db2.gz RUZADTABRBZBTG-UHFFFAOYSA-N -1 1 373.396 4.351 20 0 FIADMM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531756426 1108122371 /nfs/dbraw/zinc/12/23/71/1108122371.db2.gz HYBDCMBGIJXFJQ-UHFFFAOYSA-N -1 1 358.413 4.046 20 0 FIADMM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc([O-])cc1F ZINC000444756406 1108137807 /nfs/dbraw/zinc/13/78/07/1108137807.db2.gz BERYFXBTDQKPAT-CYBMUJFWSA-N -1 1 365.685 4.357 20 0 FIADMM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000444753169 1108151354 /nfs/dbraw/zinc/15/13/54/1108151354.db2.gz MIMNIVFHMKGOHI-AWEZNQCLSA-N -1 1 373.412 4.342 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000523459857 1108235269 /nfs/dbraw/zinc/23/52/69/1108235269.db2.gz WPRNOOHANYYISB-UHFFFAOYSA-N -1 1 367.295 4.324 20 0 FIADMM CCOc1cc(-c2noc(-c3cn4ccc(C)cc4n3)n2)cc(Cl)c1[O-] ZINC000445411282 1108721774 /nfs/dbraw/zinc/72/17/74/1108721774.db2.gz ILXQUOGRXJMJNZ-UHFFFAOYSA-N -1 1 370.796 4.117 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(SC)o3)n2)cc(Cl)c1[O-] ZINC000445425735 1108736321 /nfs/dbraw/zinc/73/63/21/1108736321.db2.gz FNMSEMWAPLTGSH-UHFFFAOYSA-N -1 1 352.799 4.476 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000532267097 1108737590 /nfs/dbraw/zinc/73/75/90/1108737590.db2.gz BWMIUYOIWWHTRF-OLZOCXBDSA-N -1 1 350.187 4.036 20 0 FIADMM O=C(Nc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1)c1ccc(F)cc1 ZINC000532267505 1108737714 /nfs/dbraw/zinc/73/77/14/1108737714.db2.gz SMHKKGOJVBZMBJ-UHFFFAOYSA-N -1 1 368.339 4.175 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000532267451 1108738264 /nfs/dbraw/zinc/73/82/64/1108738264.db2.gz XDCBQWXUTSZXNT-STQMWFEESA-N -1 1 350.187 4.036 20 0 FIADMM CCOc1cc(-c2noc(CCCC(F)(F)F)n2)cc(Cl)c1[O-] ZINC000445431365 1108741991 /nfs/dbraw/zinc/74/19/91/1108741991.db2.gz NKWVQJDRGOEHSE-UHFFFAOYSA-N -1 1 350.724 4.379 20 0 FIADMM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)c(OC)c1 ZINC000445450776 1108752745 /nfs/dbraw/zinc/75/27/45/1108752745.db2.gz WLAZVMKDVDJERP-YWEYNIOJSA-N -1 1 358.781 4.283 20 0 FIADMM CCOc1ccc2c(c1)C[C@@H](c1nc(-c3ccc([O-])cc3Cl)no1)CO2 ZINC000445450944 1108755186 /nfs/dbraw/zinc/75/51/86/1108755186.db2.gz YRAYQQHUQHORMD-GFCCVEGCSA-N -1 1 372.808 4.213 20 0 FIADMM CC(=O)Nc1ccc(Cl)c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445445996 1108771898 /nfs/dbraw/zinc/77/18/98/1108771898.db2.gz BUQCZKKKMMEYIO-UHFFFAOYSA-N -1 1 364.188 4.374 20 0 FIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1)NC1CC1 ZINC000445447625 1108773561 /nfs/dbraw/zinc/77/35/61/1108773561.db2.gz INEASMFDZWVFJF-UHFFFAOYSA-N -1 1 370.796 4.047 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccn(-c4ccccc4F)n3)n2)c(Cl)c1 ZINC000445447682 1108774097 /nfs/dbraw/zinc/77/40/97/1108774097.db2.gz ISSPLTKOGVPIQF-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3ccoc3Br)n2)s1 ZINC000193531684 1108776496 /nfs/dbraw/zinc/77/64/96/1108776496.db2.gz CAYDOTZVFGVEAW-UHFFFAOYSA-N -1 1 370.253 4.183 20 0 FIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1)c1ccco1 ZINC000445454536 1108787160 /nfs/dbraw/zinc/78/71/60/1108787160.db2.gz GOINDPFBOUTEAY-UHFFFAOYSA-N -1 1 365.320 4.094 20 0 FIADMM [O-]c1ccc(-c2noc(C[C@H](c3ccccc3)C(F)(F)F)n2)c(F)c1 ZINC000445456386 1108790313 /nfs/dbraw/zinc/79/03/13/1108790313.db2.gz OCJGFYUCPLCZQM-CYBMUJFWSA-N -1 1 352.287 4.470 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(N4CCCCCC4)nc3)n2)cc1F ZINC000445477745 1108797178 /nfs/dbraw/zinc/79/71/78/1108797178.db2.gz BLQCAKTURDUSPT-UHFFFAOYSA-N -1 1 354.385 4.024 20 0 FIADMM Cc1oc(-c2cccs2)nc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478336 1108797821 /nfs/dbraw/zinc/79/78/21/1108797821.db2.gz GPADELVMQYTOGM-UHFFFAOYSA-N -1 1 357.366 4.197 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1Br ZINC000445481797 1108800832 /nfs/dbraw/zinc/80/08/32/1108800832.db2.gz ODYGGGYNUPOARX-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3OC(F)F)n2)cc1F ZINC000445482355 1108802283 /nfs/dbraw/zinc/80/22/83/1108802283.db2.gz ORXMYQBMTZMJGD-NWDGAFQWSA-N -1 1 362.307 4.454 20 0 FIADMM Cc1nc(-c2ccccn2)sc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445474739 1108812312 /nfs/dbraw/zinc/81/23/12/1108812312.db2.gz RQYVJKZQPMKGDG-UHFFFAOYSA-N -1 1 354.366 4.075 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(Cc4ccc(F)cc4)s3)n2)cc1F ZINC000445476644 1108815901 /nfs/dbraw/zinc/81/59/01/1108815901.db2.gz GKFWGTWBQCHRRH-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000524291889 1108944470 /nfs/dbraw/zinc/94/44/70/1108944470.db2.gz BEFYCBGQGPMIFC-UHFFFAOYSA-N -1 1 357.431 4.106 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(Cl)c1 ZINC000016151605 1108988828 /nfs/dbraw/zinc/98/88/28/1108988828.db2.gz VMWCVIZRTLCTPY-UHFFFAOYSA-N -1 1 368.188 4.396 20 0 FIADMM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000446114383 1109118783 /nfs/dbraw/zinc/11/87/83/1109118783.db2.gz ZVGFHHSCJJOLDP-UHFFFAOYSA-N -1 1 374.755 4.173 20 0 FIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)ccc21 ZINC000525212723 1109310363 /nfs/dbraw/zinc/31/03/63/1109310363.db2.gz GVOMQBXEOCZLOE-UHFFFAOYSA-N -1 1 368.380 4.269 20 0 FIADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc2oc3ccccc3c2c1 ZINC000525212640 1109310813 /nfs/dbraw/zinc/31/08/13/1109310813.db2.gz PQDIWMXIPFWEDC-UHFFFAOYSA-N -1 1 363.398 4.263 20 0 FIADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c(F)c1 ZINC000446817372 1109344545 /nfs/dbraw/zinc/34/45/45/1109344545.db2.gz KXGJWIRTWIDATL-UHFFFAOYSA-N -1 1 356.422 4.138 20 0 FIADMM COc1cc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)cc(Cl)c1[O-] ZINC000525961697 1109571887 /nfs/dbraw/zinc/57/18/87/1109571887.db2.gz PCGJPRQKKXFDND-UHFFFAOYSA-N -1 1 370.714 4.383 20 0 FIADMM CCOc1cc(-c2nc([C@H]3CCOc4ccccc43)no2)cc(Cl)c1[O-] ZINC000527198118 1109717903 /nfs/dbraw/zinc/71/79/03/1109717903.db2.gz QPARHXMFPULAIJ-ZDUSSCGKSA-N -1 1 372.808 4.409 20 0 FIADMM COc1cc(C(=O)Nc2cnc(-c3ccccc3)s2)cc(Cl)c1[O-] ZINC000527487711 1109766843 /nfs/dbraw/zinc/76/68/43/1109766843.db2.gz AEOCOVQAFPWMOI-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM CC1(C)[C@@H](c2ccc(F)cc2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000528746861 1110100060 /nfs/dbraw/zinc/10/00/60/1110100060.db2.gz ZSXKOLLDHBDMIJ-CQSZACIVSA-N -1 1 357.454 4.304 20 0 FIADMM C[C@@](CO)(NCc1cccc([O-])c1Cl)c1cc(Cl)cc(Cl)c1 ZINC000449669443 1110141634 /nfs/dbraw/zinc/14/16/34/1110141634.db2.gz NAGLRMGTDDIXGD-INIZCTEOSA-N -1 1 360.668 4.350 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)s1 ZINC000538452172 1111147679 /nfs/dbraw/zinc/14/76/79/1111147679.db2.gz ILBNIJIYQSWTOB-UHFFFAOYSA-N -1 1 362.842 4.441 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000538460001 1111150498 /nfs/dbraw/zinc/15/04/98/1111150498.db2.gz QHFUHPTZOSHGFK-GOEBONIOSA-N -1 1 372.490 4.171 20 0 FIADMM O=C(CCc1cccs1)Nc1c([O-])cc(Br)cc1Cl ZINC000552026507 1111333507 /nfs/dbraw/zinc/33/35/07/1111333507.db2.gz RYSPXNHOTVPZSG-UHFFFAOYSA-N -1 1 360.660 4.441 20 0 FIADMM C[C@H]1CC[C@@H](CCC(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552195765 1111610367 /nfs/dbraw/zinc/61/03/67/1111610367.db2.gz GCIUOSHKNGGOJD-WPRPVWTQSA-N -1 1 362.651 4.094 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c(C)cc1C ZINC000478724015 1111867847 /nfs/dbraw/zinc/86/78/47/1111867847.db2.gz PITTWJNNICWXKK-UHFFFAOYSA-N -1 1 371.458 4.275 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1C ZINC000479319127 1111991364 /nfs/dbraw/zinc/99/13/64/1111991364.db2.gz UDWCJGLBSWTSKK-UHFFFAOYSA-N -1 1 368.458 4.175 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H](c2ccccc2)C2CC2)cc(Cl)c1[O-] ZINC000554395663 1112331113 /nfs/dbraw/zinc/33/11/13/1112331113.db2.gz KCCKRRJVFIQBRU-INIZCTEOSA-N -1 1 359.853 4.368 20 0 FIADMM Cc1ccc([C@@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)c(C)c1 ZINC000480551358 1112472533 /nfs/dbraw/zinc/47/25/33/1112472533.db2.gz IXYQLHYBWBHAHY-LJQANCHMSA-N -1 1 374.488 4.472 20 0 FIADMM CSc1ccccc1CN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000480554575 1112473958 /nfs/dbraw/zinc/47/39/58/1112473958.db2.gz NZRRBMUFTRNCHB-UHFFFAOYSA-N -1 1 366.490 4.219 20 0 FIADMM CCn1c(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nc2ccccc21 ZINC000555614838 1112942760 /nfs/dbraw/zinc/94/27/60/1112942760.db2.gz XDEFNJNUQXAWEJ-LJQANCHMSA-N -1 1 365.477 4.485 20 0 FIADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000481861148 1113108235 /nfs/dbraw/zinc/10/82/35/1113108235.db2.gz AOQAPEFRGZYOQK-UHFFFAOYSA-N -1 1 354.475 4.469 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000481999450 1113148095 /nfs/dbraw/zinc/14/80/95/1113148095.db2.gz PYDRHGGQGINVKZ-HNNXBMFYSA-N -1 1 364.214 4.271 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](c2ccccc2)C(F)F)cc(Cl)c1[O-] ZINC000482055074 1113159403 /nfs/dbraw/zinc/15/94/03/1113159403.db2.gz XILMNOPVRXSJOC-AWEZNQCLSA-N -1 1 355.768 4.181 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CSc2ccc(F)cc2)c1 ZINC000482576018 1113301476 /nfs/dbraw/zinc/30/14/76/1113301476.db2.gz JLTQMCLZCXZWTD-UHFFFAOYSA-N -1 1 370.243 4.333 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000482630010 1113314382 /nfs/dbraw/zinc/31/43/82/1113314382.db2.gz JIEAQDPYYUPHGX-SNVBAGLBSA-N -1 1 352.203 4.344 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)c2ccccc2F)c1 ZINC000482655919 1113324631 /nfs/dbraw/zinc/32/46/31/1113324631.db2.gz GSCQLVCBQFNRCV-SNVBAGLBSA-N -1 1 352.203 4.344 20 0 FIADMM O=C([O-])c1ccc(Cl)c(CN2CCC(COc3ccccc3)CC2)c1 ZINC000568061889 1113353404 /nfs/dbraw/zinc/35/34/04/1113353404.db2.gz WBTLBYUJMOJJTL-UHFFFAOYSA-N -1 1 359.853 4.329 20 0 FIADMM Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908115586 1113610052 /nfs/dbraw/zinc/61/00/52/1113610052.db2.gz QOFJJVVODGNING-OAHLLOKOSA-N -1 1 353.466 4.227 20 0 FIADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1Br ZINC000486916447 1113674939 /nfs/dbraw/zinc/67/49/39/1113674939.db2.gz WOVFGPRNKHVKDH-UHFFFAOYSA-N -1 1 371.618 4.461 20 0 FIADMM CC(=O)Nc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC000486928614 1113678784 /nfs/dbraw/zinc/67/87/84/1113678784.db2.gz TVNDDSZYCKVUDM-UHFFFAOYSA-N -1 1 354.193 4.301 20 0 FIADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1Cl ZINC000908689484 1113682136 /nfs/dbraw/zinc/68/21/36/1113682136.db2.gz XTSXZFTXEFGPOL-SFHVURJKSA-N -1 1 372.852 4.031 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)C1(c2cccnc2)CCCC1 ZINC000908708492 1113686789 /nfs/dbraw/zinc/68/67/89/1113686789.db2.gz WAIVEVOONXKWJC-UHFFFAOYSA-N -1 1 361.239 4.000 20 0 FIADMM Cc1sc(CC(=O)Nc2cccc([O-])c2Br)nc1C(C)C ZINC000908708310 1113686910 /nfs/dbraw/zinc/68/69/10/1113686910.db2.gz RXOCDURKWBQHHT-UHFFFAOYSA-N -1 1 369.284 4.224 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CC[C@H]1c1ccccc1 ZINC000487757619 1113801408 /nfs/dbraw/zinc/80/14/08/1113801408.db2.gz JZTMTTIYDPLARX-XJKSGUPXSA-N -1 1 374.278 4.421 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000488248257 1113888703 /nfs/dbraw/zinc/88/87/03/1113888703.db2.gz CGVRIEJOLOIZLE-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM C/C=C\c1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000489956724 1114193446 /nfs/dbraw/zinc/19/34/46/1114193446.db2.gz ORNRJBUPPIKYQU-HYXAFXHYSA-N -1 1 374.444 4.157 20 0 FIADMM CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(Br)c1[O-] ZINC000054681068 1114207518 /nfs/dbraw/zinc/20/75/18/1114207518.db2.gz QWGUZLLVFAGFJJ-MRXNPFEDSA-N -1 1 361.239 4.131 20 0 FIADMM O=C(C[C@H](c1ccccc1)C(F)(F)F)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000490113343 1114216595 /nfs/dbraw/zinc/21/65/95/1114216595.db2.gz SMPVNQQFCPBQMJ-GFCCVEGCSA-N -1 1 365.380 4.235 20 0 FIADMM O=S(=O)([N-]c1ccc([C@@H]2CCOC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000570898445 1114382971 /nfs/dbraw/zinc/38/29/71/1114382971.db2.gz QFJLJHYZLOFKTL-CYBMUJFWSA-N -1 1 371.380 4.010 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000055485214 1114475629 /nfs/dbraw/zinc/47/56/29/1114475629.db2.gz MGPOUXIUUTZCNG-HZPDHXFCSA-N -1 1 372.538 4.249 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2CCC[C@@H](C)C2)c1 ZINC000055481307 1114475779 /nfs/dbraw/zinc/47/57/79/1114475779.db2.gz VPNRZEIFEXUFQE-ZBFHGGJFSA-N -1 1 372.538 4.249 20 0 FIADMM O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1c([O-])cccc1Cl ZINC000760693350 1114580216 /nfs/dbraw/zinc/58/02/16/1114580216.db2.gz QVIWGLPLTSOTQE-CYBMUJFWSA-N -1 1 374.651 4.206 20 0 FIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1 ZINC000588834275 1114655555 /nfs/dbraw/zinc/65/55/55/1114655555.db2.gz DRLPHKCRMRDHJY-UHFFFAOYSA-N -1 1 371.462 4.126 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc1C ZINC000589939164 1114870491 /nfs/dbraw/zinc/87/04/91/1114870491.db2.gz XEFPXXDZQKNZIR-UHFFFAOYSA-N -1 1 373.396 4.354 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@@H]2COc3ccc(Cl)cc32)cnc1Cl ZINC001127128177 1114884101 /nfs/dbraw/zinc/88/41/01/1114884101.db2.gz ZMEYZBSGFDDLPY-GFCCVEGCSA-N -1 1 373.186 4.039 20 0 FIADMM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590610498 1114953152 /nfs/dbraw/zinc/95/31/52/1114953152.db2.gz VELUSXPEOGMRLW-ZYHUDNBSSA-N -1 1 366.346 4.148 20 0 FIADMM CCC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590618481 1114954787 /nfs/dbraw/zinc/95/47/87/1114954787.db2.gz OFNPELAIFKZBFR-JXFKEZNVSA-N -1 1 372.509 4.355 20 0 FIADMM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cc(F)ccc1F ZINC001212166859 1115028062 /nfs/dbraw/zinc/02/80/62/1115028062.db2.gz YAZFDPAGASIQNJ-IUODEOHRSA-N -1 1 371.836 4.233 20 0 FIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCC1)c1ccc(F)c(F)c1F ZINC000591392381 1115077282 /nfs/dbraw/zinc/07/72/82/1115077282.db2.gz ICWVTFAXPWMLSJ-KRWDZBQOSA-N -1 1 373.371 4.063 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591463257 1115082659 /nfs/dbraw/zinc/08/26/59/1115082659.db2.gz FXAFUSVRWFVHKN-UHFFFAOYSA-N -1 1 351.780 4.344 20 0 FIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000591683987 1115122402 /nfs/dbraw/zinc/12/24/02/1115122402.db2.gz BLWGTAAGTYVKIB-UHFFFAOYSA-N -1 1 357.479 4.214 20 0 FIADMM CCCSC[C@@H](NCc1cnc(-c2ccc(C)c(C)c2)s1)C(=O)[O-] ZINC000593948354 1115362520 /nfs/dbraw/zinc/36/25/20/1115362520.db2.gz WIZKWBCHWXXSRZ-MRXNPFEDSA-N -1 1 364.536 4.113 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cc3cccc(CC)c3o2)[n-]c1=O ZINC000594697422 1115480062 /nfs/dbraw/zinc/48/00/62/1115480062.db2.gz VSRDUEYYGKOUJZ-FMIVXFBMSA-N -1 1 352.390 4.228 20 0 FIADMM Cc1ccccc1-c1cnc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])o1 ZINC000574818168 1115497861 /nfs/dbraw/zinc/49/78/61/1115497861.db2.gz XWGZZQHDIJYATE-KRWDZBQOSA-N -1 1 364.445 4.373 20 0 FIADMM Cc1ccccc1-c1cnc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])o1 ZINC000574818171 1115497870 /nfs/dbraw/zinc/49/78/70/1115497870.db2.gz XWGZZQHDIJYATE-QGZVFWFLSA-N -1 1 364.445 4.373 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000172317379 1115928379 /nfs/dbraw/zinc/92/83/79/1115928379.db2.gz CJMPWPKKPAXIHW-GJZGRUSLSA-N -1 1 372.538 4.247 20 0 FIADMM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606903456 1115981600 /nfs/dbraw/zinc/98/16/00/1115981600.db2.gz SWDXOVWURWBHHN-CABZTGNLSA-N -1 1 355.809 4.216 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000607613307 1116049286 /nfs/dbraw/zinc/04/92/86/1116049286.db2.gz FJTACYINPLFVIC-UHFFFAOYSA-N -1 1 371.380 4.226 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCC(C)(C)CC2)c1 ZINC000173631463 1116078772 /nfs/dbraw/zinc/07/87/72/1116078772.db2.gz VZWLRMNFBURAMZ-UHFFFAOYSA-N -1 1 372.538 4.345 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3C)cc2)oc1C ZINC000608341598 1116100502 /nfs/dbraw/zinc/10/05/02/1116100502.db2.gz STYNVBDXXRCYKA-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2c([O-])cccc2F)CC1=O ZINC000608366287 1116102397 /nfs/dbraw/zinc/10/23/97/1116102397.db2.gz HXESHKAIXBPGSD-ZIAGYGMSSA-N -1 1 370.424 4.036 20 0 FIADMM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC000608366547 1116102789 /nfs/dbraw/zinc/10/27/89/1116102789.db2.gz MNNIBAYBHZAJCS-UHFFFAOYSA-N -1 1 374.799 4.423 20 0 FIADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000534206564 1116169186 /nfs/dbraw/zinc/16/91/86/1116169186.db2.gz CSVLHZXZQIXEBJ-UHFFFAOYSA-N -1 1 370.327 4.194 20 0 FIADMM Cc1nc(SCc2ccc(OCc3cccnc3)cc2)[n-]c(=O)c1C ZINC000539617766 1116353620 /nfs/dbraw/zinc/35/36/20/1116353620.db2.gz ULWXEJWRPCHESS-UHFFFAOYSA-N -1 1 353.447 4.065 20 0 FIADMM Cc1nc(-c2ccc(N3C[C@@H](c4ccccc4)C[C@H]3C)nc2)[n-]c(=O)c1C ZINC000462848164 1117819042 /nfs/dbraw/zinc/81/90/42/1117819042.db2.gz NDUJEMWCOPIAPA-KUHUBIRLSA-N -1 1 360.461 4.243 20 0 FIADMM Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c(Cl)c1 ZINC000540716144 1118203898 /nfs/dbraw/zinc/20/38/98/1118203898.db2.gz YXPFCLMEFLDZKD-LBPRGKRZSA-N -1 1 365.886 4.189 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)cc1Cl ZINC000463799917 1118334184 /nfs/dbraw/zinc/33/41/84/1118334184.db2.gz YRKQBHDRGKCOMZ-UHFFFAOYSA-N -1 1 369.895 4.374 20 0 FIADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)c1 ZINC000541526380 1118543311 /nfs/dbraw/zinc/54/33/11/1118543311.db2.gz CUAKKJUFCIFERX-HNNXBMFYSA-N -1 1 360.251 4.093 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(OCc2ccccc2)nc1 ZINC000541888489 1118689015 /nfs/dbraw/zinc/68/90/15/1118689015.db2.gz SEBHFHHKCZOYKR-UHFFFAOYSA-N -1 1 354.793 4.272 20 0 FIADMM CCc1nnc([N-]C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)s1 ZINC000542196280 1118837817 /nfs/dbraw/zinc/83/78/17/1118837817.db2.gz FQJLOKXVTMTTCS-UHFFFAOYSA-N -1 1 368.340 4.027 20 0 FIADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C2(C)CCC(C)CC2)c1 ZINC001272476972 1118988298 /nfs/dbraw/zinc/98/82/98/1118988298.db2.gz KZHPRBYTNAHLJT-UHFFFAOYSA-N -1 1 370.415 4.328 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(Oc2ccncc2)c1 ZINC000492461578 1119102175 /nfs/dbraw/zinc/10/21/75/1119102175.db2.gz DCDZLWVYZJTIMC-UHFFFAOYSA-N -1 1 372.384 4.222 20 0 FIADMM CN(Cc1nc(=O)c2sccc2[n-]1)C1c2ccccc2-c2ccccc21 ZINC000176433612 1119276076 /nfs/dbraw/zinc/27/60/76/1119276076.db2.gz ZIUXWIGXQJEIDB-UHFFFAOYSA-N -1 1 359.454 4.186 20 0 FIADMM Cc1cncc(-c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3[O-])n2)c1 ZINC000761574141 1119426189 /nfs/dbraw/zinc/42/61/89/1119426189.db2.gz FSRXVODIMDSPST-UHFFFAOYSA-N -1 1 368.393 4.160 20 0 FIADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000232779967 1119549497 /nfs/dbraw/zinc/54/94/97/1119549497.db2.gz HMOMSTATQLBXSZ-CYBMUJFWSA-N -1 1 366.708 4.097 20 0 FIADMM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Br)c(Cl)s2)C1 ZINC000232779967 1119549499 /nfs/dbraw/zinc/54/94/99/1119549499.db2.gz HMOMSTATQLBXSZ-CYBMUJFWSA-N -1 1 366.708 4.097 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000185333815 1119655540 /nfs/dbraw/zinc/65/55/40/1119655540.db2.gz MKXAGLGHMNFLAW-NSHDSACASA-N -1 1 351.805 4.417 20 0 FIADMM COc1cccc(C=C2CCN(C(=O)c3c([O-])cccc3Cl)CC2)c1 ZINC000761601325 1119677531 /nfs/dbraw/zinc/67/75/31/1119677531.db2.gz FRMVTIFIQKIKBW-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1 ZINC000761600671 1119682278 /nfs/dbraw/zinc/68/22/78/1119682278.db2.gz VNQQUNBKRFDUMH-UHFFFAOYSA-N -1 1 373.331 4.284 20 0 FIADMM CC[C@@H](CN(CC)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000187416689 1119782680 /nfs/dbraw/zinc/78/26/80/1119782680.db2.gz DIUVTPRASXEYFF-INIZCTEOSA-N -1 1 369.509 4.032 20 0 FIADMM Cc1cc(C)n(-c2cccc(NC(=O)Nc3ccc([O-])c(Cl)c3)c2)n1 ZINC000190943637 1119954894 /nfs/dbraw/zinc/95/48/94/1119954894.db2.gz GRRPJVKQILYQCM-UHFFFAOYSA-N -1 1 356.813 4.492 20 0 FIADMM COCCCOc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192234000 1120043539 /nfs/dbraw/zinc/04/35/39/1120043539.db2.gz IFYBYGPNUWUBCL-UHFFFAOYSA-N -1 1 350.802 4.105 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)c1 ZINC000195450428 1120162047 /nfs/dbraw/zinc/16/20/47/1120162047.db2.gz ZLSLWAMQLYGRNL-UHFFFAOYSA-N -1 1 371.487 4.045 20 0 FIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000195650506 1120205955 /nfs/dbraw/zinc/20/59/55/1120205955.db2.gz FRCXEVLWTFLWJO-UHFFFAOYSA-N -1 1 355.463 4.019 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1 ZINC000194864561 1120313089 /nfs/dbraw/zinc/31/30/89/1120313089.db2.gz MBJQKUSZKISXEJ-UHFFFAOYSA-N -1 1 351.493 4.134 20 0 FIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000227870523 1120406662 /nfs/dbraw/zinc/40/66/62/1120406662.db2.gz GBZCCNZTHKNZLA-UHFFFAOYSA-N -1 1 360.660 4.212 20 0 FIADMM CC[C@@H](C)CN(CC)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000176612087 1120926280 /nfs/dbraw/zinc/92/62/80/1120926280.db2.gz VMWFLOCBIICJCP-CQSZACIVSA-N -1 1 360.527 4.201 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000176616872 1120932220 /nfs/dbraw/zinc/93/22/20/1120932220.db2.gz IEBDSNLLTJLOGJ-JKSUJKDBSA-N -1 1 372.538 4.343 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCCc3nc(C)sc32)cc(Cl)c1[O-] ZINC000762661380 1120946103 /nfs/dbraw/zinc/94/61/03/1120946103.db2.gz HWPARADNHBBQJX-CYBMUJFWSA-N -1 1 366.870 4.017 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000028251031 1121020230 /nfs/dbraw/zinc/02/02/30/1121020230.db2.gz LIZIFTBTBMUWDR-AWEZNQCLSA-N -1 1 372.490 4.349 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1F ZINC000032591646 1121111496 /nfs/dbraw/zinc/11/14/96/1121111496.db2.gz AIUQHXRBYIUEGC-UHFFFAOYSA-N -1 1 373.833 4.076 20 0 FIADMM Cc1nnc([N-]C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)s1 ZINC000044008612 1121214195 /nfs/dbraw/zinc/21/41/95/1121214195.db2.gz AQPRUXSFPHDRHY-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM Cc1ccc(NC(=O)C2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611973 1121285698 /nfs/dbraw/zinc/28/56/98/1121285698.db2.gz MTSZHGUFYXFDFJ-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000326408596 1121313509 /nfs/dbraw/zinc/31/35/09/1121313509.db2.gz PHBSAUNTIVKIHR-CQSZACIVSA-N -1 1 355.463 4.391 20 0 FIADMM CCc1c(C)sc2nc(-c3cc(F)ccc3Br)[n-]c(=O)c12 ZINC000058477866 1121403540 /nfs/dbraw/zinc/40/35/40/1121403540.db2.gz QIDYPCFPEXBHOP-UHFFFAOYSA-N -1 1 367.243 4.424 20 0 FIADMM Cc1nc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)sc1-c1n[n-]c(=S)n1C ZINC000153888788 1121440034 /nfs/dbraw/zinc/44/00/34/1121440034.db2.gz OTZAQRCNMUGNBG-MWLCHTKSSA-N -1 1 365.528 4.065 20 0 FIADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000062017882 1121557750 /nfs/dbraw/zinc/55/77/50/1121557750.db2.gz WGDMPTMSCVIVCD-JTQLQIEISA-N -1 1 352.203 4.127 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Br)ccc2C)c1 ZINC000037369303 1121571867 /nfs/dbraw/zinc/57/18/67/1121571867.db2.gz FHMHMTWAVLNRBP-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000063849332 1121590941 /nfs/dbraw/zinc/59/09/41/1121590941.db2.gz JEOPOSKSCSYPHI-UHFFFAOYSA-N -1 1 373.396 4.431 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1 ZINC000064474773 1121616257 /nfs/dbraw/zinc/61/62/57/1121616257.db2.gz LMPMIFQJPNCCMT-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000065888025 1121719493 /nfs/dbraw/zinc/71/94/93/1121719493.db2.gz SHNBIMKNDYAEPW-LJQANCHMSA-N -1 1 368.820 4.430 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1 ZINC000064475727 1121770959 /nfs/dbraw/zinc/77/09/59/1121770959.db2.gz FEWNNXADZKQRNH-UHFFFAOYSA-N -1 1 360.460 4.228 20 0 FIADMM Cc1ccc(NC(=O)C2(C)CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000067267103 1121772349 /nfs/dbraw/zinc/77/23/49/1121772349.db2.gz SXLVQJUYARVDRW-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM O=C1c2ccccc2N[C@H](c2ccc([O-])c(Cl)c2)N1Cc1ccco1 ZINC000067438713 1121777578 /nfs/dbraw/zinc/77/75/78/1121777578.db2.gz GVJMCMMMFCJDHF-SFHVURJKSA-N -1 1 354.793 4.405 20 0 FIADMM CCn1c(C2CCN(C(=O)CCC3CCCCC3)CC2)n[n-]c1=S ZINC000068452352 1121829457 /nfs/dbraw/zinc/82/94/57/1121829457.db2.gz QBEQMTYNACKIGN-UHFFFAOYSA-N -1 1 350.532 4.027 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000671774137 1121960391 /nfs/dbraw/zinc/96/03/91/1121960391.db2.gz QOBVDFFXDJIAHP-UHFFFAOYSA-N -1 1 361.441 4.087 20 0 FIADMM COCCc1ccc(OCCCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667554 1121961478 /nfs/dbraw/zinc/96/14/78/1121961478.db2.gz TYBANJSVJSFMNB-UHFFFAOYSA-N -1 1 363.841 4.032 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H](C)C(F)(F)F)n2)cc(Cl)c1[O-] ZINC000624574648 1122040975 /nfs/dbraw/zinc/04/09/75/1122040975.db2.gz UTVWJEGRDZKWFT-SSDOTTSWSA-N -1 1 350.724 4.235 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000066458058 1122065466 /nfs/dbraw/zinc/06/54/66/1122065466.db2.gz KDUHKDLQHWDAPY-UHFFFAOYSA-N -1 1 364.420 4.401 20 0 FIADMM COCC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000671901209 1122192307 /nfs/dbraw/zinc/19/23/07/1122192307.db2.gz QFPGHTNCMALYLM-HNNXBMFYSA-N -1 1 372.223 4.346 20 0 FIADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccccc1OC(F)F ZINC000213822060 1122205580 /nfs/dbraw/zinc/20/55/80/1122205580.db2.gz JKWPEBHRKOKPIH-KTKRTIGZSA-N -1 1 359.781 4.354 20 0 FIADMM CC(=O)n1ncc2ccc(Nc3ccc(F)c(Br)c3[O-])cc21 ZINC001212422642 1122218189 /nfs/dbraw/zinc/21/81/89/1122218189.db2.gz KBPHFOFCKBGJID-UHFFFAOYSA-N -1 1 364.174 4.047 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)cc1 ZINC000107067360 1122253884 /nfs/dbraw/zinc/25/38/84/1122253884.db2.gz VWLTVWZSRJRLMN-INIZCTEOSA-N -1 1 370.474 4.091 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000055584668 1122255384 /nfs/dbraw/zinc/25/53/84/1122255384.db2.gz NMIRWTVMNHJJKH-UHFFFAOYSA-N -1 1 366.870 4.044 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C ZINC000917728528 1122419544 /nfs/dbraw/zinc/41/95/44/1122419544.db2.gz WOYJWITUPGFXQJ-UHFFFAOYSA-N -1 1 373.446 4.428 20 0 FIADMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000917746691 1122425929 /nfs/dbraw/zinc/42/59/29/1122425929.db2.gz HYZKWPKBIGIQFX-UHFFFAOYSA-N -1 1 374.840 4.264 20 0 FIADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000131958927 1123204605 /nfs/dbraw/zinc/20/46/05/1123204605.db2.gz IWOAZYZYOFIWFU-CYBMUJFWSA-N -1 1 353.447 4.052 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000132570689 1123292038 /nfs/dbraw/zinc/29/20/38/1123292038.db2.gz RSCUUNYDHDJKDD-UHFFFAOYSA-N -1 1 370.430 4.099 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000132980740 1123394035 /nfs/dbraw/zinc/39/40/35/1123394035.db2.gz JGXANTCNPJIWDG-OAHLLOKOSA-N -1 1 360.251 4.002 20 0 FIADMM CCc1noc(C)c1[N-]C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000133054701 1123405347 /nfs/dbraw/zinc/40/53/47/1123405347.db2.gz INUJEKDVRWRZTQ-UHFFFAOYSA-N -1 1 373.844 4.155 20 0 FIADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000615232216 1123416424 /nfs/dbraw/zinc/41/64/24/1123416424.db2.gz FLOKZAIOEJTYLN-UHFFFAOYSA-N -1 1 359.278 4.169 20 0 FIADMM Cc1c2cccc(C)c2oc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000920560655 1123476907 /nfs/dbraw/zinc/47/69/07/1123476907.db2.gz SMEMKKSRKQFRAB-UHFFFAOYSA-N -1 1 364.353 4.219 20 0 FIADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)c1 ZINC000077709392 1123708852 /nfs/dbraw/zinc/70/88/52/1123708852.db2.gz PBFMHEBYSBESEG-CQSZACIVSA-N -1 1 374.506 4.059 20 0 FIADMM O=c1[nH]c(C(Cl)=Cc2cc(F)c([O-])c(F)c2)nc2ccc(Cl)cc12 ZINC000175322909 1123832307 /nfs/dbraw/zinc/83/23/07/1123832307.db2.gz NAUPXYQISXSRGD-KMKOMSMNSA-N -1 1 369.154 4.297 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(F)c2C)cc1 ZINC000175343058 1123842720 /nfs/dbraw/zinc/84/27/20/1123842720.db2.gz RTVOMKCZCNCNQA-UHFFFAOYSA-N -1 1 370.453 4.392 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc(F)c(Cl)c1 ZINC000615958909 1124185347 /nfs/dbraw/zinc/18/53/47/1124185347.db2.gz OOXCLTZRACMHIY-UHFFFAOYSA-N -1 1 368.842 4.403 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cccc(C(F)(F)F)c3Cl)no2)n[n-]1 ZINC001212429484 1124213121 /nfs/dbraw/zinc/21/31/21/1124213121.db2.gz GXGLCAORLZXFAK-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cccc(C(F)(F)F)c3Cl)no2)[n-]n1 ZINC001212429484 1124213127 /nfs/dbraw/zinc/21/31/27/1124213127.db2.gz GXGLCAORLZXFAK-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM O=C(Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1)c1cccs1 ZINC000081958347 1124219150 /nfs/dbraw/zinc/21/91/50/1124219150.db2.gz FDBKEVMHPUOGNI-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3C(F)(F)F)no2)n[n-]1 ZINC001212429969 1124226627 /nfs/dbraw/zinc/22/66/27/1124226627.db2.gz SDFNAACEAPVLTN-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3C(F)(F)F)no2)[n-]n1 ZINC001212429969 1124226632 /nfs/dbraw/zinc/22/66/32/1124226632.db2.gz SDFNAACEAPVLTN-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(Cl)ccc1Cl ZINC000180273017 1124276407 /nfs/dbraw/zinc/27/64/07/1124276407.db2.gz QBBPWIZBPFDLRD-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)s1 ZINC000138839810 1124344463 /nfs/dbraw/zinc/34/44/63/1124344463.db2.gz RKSVHYPQYKLFMK-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCCC2)c(F)c1 ZINC001212288956 1124431416 /nfs/dbraw/zinc/43/14/16/1124431416.db2.gz NHICLONGHLEPAY-KRWDZBQOSA-N -1 1 373.465 4.001 20 0 FIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000109111329 1124536713 /nfs/dbraw/zinc/53/67/13/1124536713.db2.gz QWZXXOBZEOFJAA-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000007410099 1124902228 /nfs/dbraw/zinc/90/22/28/1124902228.db2.gz LXMVWMRMVIANKM-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000252157603 1125060719 /nfs/dbraw/zinc/06/07/19/1125060719.db2.gz HIURDYKTXNBAFL-UHFFFAOYSA-N -1 1 366.442 4.330 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618109316 1125080897 /nfs/dbraw/zinc/08/08/97/1125080897.db2.gz IBNILYYWUNBRSZ-HXUWFJFHSA-N -1 1 363.413 4.132 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1c(F)cccc1F ZINC000615293071 1125114000 /nfs/dbraw/zinc/11/40/00/1125114000.db2.gz CYTVXFWSLXCJBI-ZCFIWIBFSA-N -1 1 372.245 4.373 20 0 FIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3cccc4c3CCCC4)c2C1 ZINC000763506414 1125292208 /nfs/dbraw/zinc/29/22/08/1125292208.db2.gz YFMRBJJYFKJONM-UHFFFAOYSA-N -1 1 370.518 4.090 20 0 FIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000022958840 204791655 /nfs/dbraw/zinc/79/16/55/204791655.db2.gz WMLWKZHAESREQJ-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM Cc1cc2occ(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)c2cc1C(C)C ZINC000045947013 205128116 /nfs/dbraw/zinc/12/81/16/205128116.db2.gz VYOJRZUBGHWGHE-UHFFFAOYSA-N -1 1 366.343 4.183 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)oc1C ZINC000054294010 205198301 /nfs/dbraw/zinc/19/83/01/205198301.db2.gz FXGOHCDHRZFRRR-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CN(Cc1ccccc1Cl)C(=O)c1cc(Br)ccc1[O-] ZINC000016497064 206319201 /nfs/dbraw/zinc/31/92/01/206319201.db2.gz AHHZTOPGEGPMJY-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000390845793 568326398 /nfs/dbraw/zinc/32/63/98/568326398.db2.gz GRHXCUYMTCILRU-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM CCc1ccsc1C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000605022066 568525503 /nfs/dbraw/zinc/52/55/03/568525503.db2.gz NARDZMAWCQLRAV-UHFFFAOYSA-N -1 1 361.854 4.037 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c(C)c1C ZINC000605075039 568553562 /nfs/dbraw/zinc/55/35/62/568553562.db2.gz NETLKGASPONZNS-UHFFFAOYSA-N -1 1 368.458 4.175 20 0 FIADMM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1[O-] ZINC000078551608 1125560214 /nfs/dbraw/zinc/56/02/14/1125560214.db2.gz HMTWECIKXKGSQN-UHFFFAOYSA-N -1 1 353.422 4.052 20 0 FIADMM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000182865447 1125663078 /nfs/dbraw/zinc/66/30/78/1125663078.db2.gz YCPTXRBNHRDWLK-CQSZACIVSA-N -1 1 360.624 4.415 20 0 FIADMM COc1cc(C(=O)[N-]c2cc(F)ccc2Oc2ccc(C)cc2OC)on1 ZINC000153048309 1125726709 /nfs/dbraw/zinc/72/67/09/1125726709.db2.gz DTLMKCNJCNIGON-UHFFFAOYSA-N -1 1 372.352 4.184 20 0 FIADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccc(C(F)(F)F)cc1 ZINC000579765315 1079635628 /nfs/dbraw/zinc/63/56/28/1079635628.db2.gz WNCLGUKKZSTQKV-VIFPVBQESA-N -1 1 359.294 4.223 20 0 FIADMM CCOc1cc(C(=O)N2CCCC[C@@H]2c2cccn2C)cc(Cl)c1[O-] ZINC000186845767 1079704712 /nfs/dbraw/zinc/70/47/12/1079704712.db2.gz JCVMXFQXBWVXAC-MRXNPFEDSA-N -1 1 362.857 4.150 20 0 FIADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Br)c([O-])c2)s1 ZINC000153376836 1125782542 /nfs/dbraw/zinc/78/25/42/1125782542.db2.gz KAIMPGKPXGSYMX-VIFPVBQESA-N -1 1 369.284 4.061 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Cl)cc2cccnc21)c1cc(F)ccc1F ZINC000683174187 1079811116 /nfs/dbraw/zinc/81/11/16/1079811116.db2.gz RBZWMFAWCQWEIO-KRWDZBQOSA-N -1 1 362.763 4.082 20 0 FIADMM O=C([O-])[C@@H](NCc1cccc(OC2CCCC2)c1)c1cc(F)ccc1F ZINC000683175345 1079822109 /nfs/dbraw/zinc/82/21/09/1079822109.db2.gz VPASJRZUPLIAJN-IBGZPJMESA-N -1 1 361.388 4.202 20 0 FIADMM Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000430221845 1080017843 /nfs/dbraw/zinc/01/78/43/1080017843.db2.gz UMQYIKYOTMTWQT-FZKQIMNGSA-N -1 1 366.383 4.076 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000180193874 1080470845 /nfs/dbraw/zinc/47/08/45/1080470845.db2.gz HJJGHJIJMQSGST-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1 ZINC000047454428 1080523227 /nfs/dbraw/zinc/52/32/27/1080523227.db2.gz BZPZREMZZFQKHU-UHFFFAOYSA-N -1 1 372.446 4.240 20 0 FIADMM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[N-]c1nncs1 ZINC000180624504 1080530093 /nfs/dbraw/zinc/53/00/93/1080530093.db2.gz BJUOJDCENSNUCH-UHFFFAOYSA-N -1 1 355.206 4.061 20 0 FIADMM CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001648815873 1081234924 /nfs/dbraw/zinc/23/49/24/1081234924.db2.gz FTRPOXJFGJVSRW-NLKODUOSSA-N -1 1 366.248 4.259 20 0 FIADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc(F)c(Cl)c1F ZINC000185884848 1081326706 /nfs/dbraw/zinc/32/67/06/1081326706.db2.gz UMNKWZVJRBQBJG-UHFFFAOYSA-N -1 1 365.792 4.313 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H]3OCc4ccccc43)n2)cc(Cl)c1[O-] ZINC000656007366 1081443918 /nfs/dbraw/zinc/44/39/18/1081443918.db2.gz DHIZZELIJRNCRA-HNNXBMFYSA-N -1 1 372.808 4.308 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000548031004 1081516783 /nfs/dbraw/zinc/51/67/83/1081516783.db2.gz IZELVLKYBLFPIQ-UHFFFAOYSA-N -1 1 370.352 4.176 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1 ZINC000047906262 1081937753 /nfs/dbraw/zinc/93/77/53/1081937753.db2.gz HPYHWBLRYCXIAG-UHFFFAOYSA-N -1 1 368.458 4.024 20 0 FIADMM CC(C)c1noc(Cc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2)n1 ZINC000580603253 1082039180 /nfs/dbraw/zinc/03/91/80/1082039180.db2.gz VQNWFRGYTVDNDO-UHFFFAOYSA-N -1 1 373.359 4.020 20 0 FIADMM CCC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580838307 1082182417 /nfs/dbraw/zinc/18/24/17/1082182417.db2.gz CQSXBCDHYAZPCT-XHDPSFHLSA-N -1 1 358.251 4.226 20 0 FIADMM CC(C)(C)c1cnc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000684142522 1082305408 /nfs/dbraw/zinc/30/54/08/1082305408.db2.gz RBHGNNWDZOHMRN-UHFFFAOYSA-N -1 1 358.507 4.241 20 0 FIADMM Cc1cnc2cc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)ccn12 ZINC001167445386 1082309609 /nfs/dbraw/zinc/30/96/09/1082309609.db2.gz XEDCXARUCRYJBN-UHFFFAOYSA-N -1 1 351.793 4.407 20 0 FIADMM COc1cc2c(cc1C(=O)Nc1cc(Cl)c([O-])c3ccccc13)OCO2 ZINC001167445457 1082309827 /nfs/dbraw/zinc/30/98/27/1082309827.db2.gz YEIAYRGWPTVPMN-UHFFFAOYSA-N -1 1 371.776 4.188 20 0 FIADMM CCc1nc(SCc2nn(-c3ccccc3)c3c2CCC3)[n-]c(=O)c1C ZINC000581143614 1082342125 /nfs/dbraw/zinc/34/21/25/1082342125.db2.gz XVNIUIQAFUHQRW-UHFFFAOYSA-N -1 1 366.490 4.020 20 0 FIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cccc(OC3CC3)c2F)cc1 ZINC000656574819 1082593825 /nfs/dbraw/zinc/59/38/25/1082593825.db2.gz ZRBLCJGUZSJJLG-GOSISDBHSA-N -1 1 373.424 4.071 20 0 FIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(-c2nc(C3CC3)no2)c1 ZINC000656745591 1082744940 /nfs/dbraw/zinc/74/49/40/1082744940.db2.gz YEJBSUABVLSWMK-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM O=C([O-])c1ccccc1CCN1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758357 1082752044 /nfs/dbraw/zinc/75/20/44/1082752044.db2.gz GRXAEEWYWXAWIY-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)cc2F)[C@H]2CCCC[C@H]12 ZINC000656763777 1082757110 /nfs/dbraw/zinc/75/71/10/1082757110.db2.gz HYNWAAHTVUNTJJ-FMKPAKJESA-N -1 1 370.262 4.054 20 0 FIADMM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1ccc([O-])cc1F ZINC000313528451 1082825067 /nfs/dbraw/zinc/82/50/67/1082825067.db2.gz PCYYYZFXQGYEBT-UHFFFAOYSA-N -1 1 365.404 4.083 20 0 FIADMM C[C@@H]1CC[C@H](C)N(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC001167481918 1082874585 /nfs/dbraw/zinc/87/45/85/1082874585.db2.gz AHMCKDDQEGULEN-OLZOCXBDSA-N -1 1 371.481 4.411 20 0 FIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000548280159 1082950909 /nfs/dbraw/zinc/95/09/09/1082950909.db2.gz VSMJAWKCWJLMNZ-UHFFFAOYSA-N -1 1 369.490 4.027 20 0 FIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)cc3)s2)o1 ZINC000426773955 1082993440 /nfs/dbraw/zinc/99/34/40/1082993440.db2.gz MBWJCJNUTOVZTK-INIZCTEOSA-N -1 1 356.447 4.326 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000130848220 1083052434 /nfs/dbraw/zinc/05/24/34/1083052434.db2.gz QZOSVACYMWKHIV-CYBMUJFWSA-N -1 1 355.419 4.210 20 0 FIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235778269 1083244308 /nfs/dbraw/zinc/24/43/08/1083244308.db2.gz HALDQPIPOYOAHQ-UHFFFAOYSA-N -1 1 360.660 4.212 20 0 FIADMM Cc1csc(Oc2ccc(NC(=O)c3ccc([O-])cc3F)cc2F)n1 ZINC000548407728 1083254570 /nfs/dbraw/zinc/25/45/70/1083254570.db2.gz AZSXOFHCFYQXBW-UHFFFAOYSA-N -1 1 362.357 4.480 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(Cl)sc1Cl ZINC000431180109 1083387862 /nfs/dbraw/zinc/38/78/62/1083387862.db2.gz GJAABXHIBLXASL-UHFFFAOYSA-N -1 1 362.181 4.273 20 0 FIADMM O=C(C[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccs1 ZINC000092422988 1083403769 /nfs/dbraw/zinc/40/37/69/1083403769.db2.gz OFHKJGOOEDEOHW-OAHLLOKOSA-N -1 1 365.454 4.485 20 0 FIADMM O=C(c1ncc2ccccc2c1[O-])N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000612128612 1083406069 /nfs/dbraw/zinc/40/60/69/1083406069.db2.gz AGWBZPUFAKZWCN-MSOLQXFVSA-N -1 1 366.461 4.085 20 0 FIADMM COc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000458104642 1083596794 /nfs/dbraw/zinc/59/67/94/1083596794.db2.gz WXFFVBAZAMOKAW-WBVHZDCISA-N -1 1 359.853 4.463 20 0 FIADMM CC(=O)N[C@@H](CCC(C)C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233889 1083597743 /nfs/dbraw/zinc/59/77/43/1083597743.db2.gz ZYIVVPHKYGDFFE-INIZCTEOSA-N -1 1 362.857 4.078 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@H]2CCCC[C@H]12 ZINC000535722728 1083602476 /nfs/dbraw/zinc/60/24/76/1083602476.db2.gz CPQLMWCJMDCOLI-KYOSRNDESA-N -1 1 352.272 4.196 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000535737747 1083611295 /nfs/dbraw/zinc/61/12/95/1083611295.db2.gz GWIDLMYLNKOWDO-UHFFFAOYSA-N -1 1 360.479 4.241 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)cc(Cl)c1[O-] ZINC000458262624 1083765701 /nfs/dbraw/zinc/76/57/01/1083765701.db2.gz DOFKIONNGVQMLL-LBPRGKRZSA-N -1 1 365.832 4.287 20 0 FIADMM CO[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)c1ccccc1 ZINC000564057283 1083785727 /nfs/dbraw/zinc/78/57/27/1083785727.db2.gz YJYYVCZMYWIAAC-AWEZNQCLSA-N -1 1 370.630 4.134 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000545251648 1083882913 /nfs/dbraw/zinc/88/29/13/1083882913.db2.gz ABBRLJORELGPLC-AWEZNQCLSA-N -1 1 352.459 4.097 20 0 FIADMM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cccc(C(F)(F)F)n1 ZINC000588482455 1083896966 /nfs/dbraw/zinc/89/69/66/1083896966.db2.gz WQAJBCDEXPLOIE-FPLPWBNLSA-N -1 1 362.760 4.166 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1 ZINC000570194162 1083951396 /nfs/dbraw/zinc/95/13/96/1083951396.db2.gz CFAXGSLJQRVCSJ-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000318436425 1083967803 /nfs/dbraw/zinc/96/78/03/1083967803.db2.gz XQNARVKOJJTCKU-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM COc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1Cl ZINC000657243428 1084048156 /nfs/dbraw/zinc/04/81/56/1084048156.db2.gz OQKLILJMFWNDGJ-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCc2cccc(Cl)c2C1 ZINC001299160984 1084200014 /nfs/dbraw/zinc/20/00/14/1084200014.db2.gz TVIFGMLKMRCEOB-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024254519 1084278226 /nfs/dbraw/zinc/27/82/26/1084278226.db2.gz HQTLCQVFHMLJNQ-UHFFFAOYSA-N -1 1 365.760 4.348 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C(F)(F)F)c(C)c2)[n-]c1=O ZINC000414085476 1084483909 /nfs/dbraw/zinc/48/39/09/1084483909.db2.gz YPJDJLWPERSBGX-DHZHZOJOSA-N -1 1 366.339 4.247 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1 ZINC000174772650 1084825703 /nfs/dbraw/zinc/82/57/03/1084825703.db2.gz QYUUVIJQODUCBK-UHFFFAOYSA-N -1 1 372.471 4.397 20 0 FIADMM CC(C)n1c(CNC(=O)CCc2ccc(-c3ccccc3)o2)n[n-]c1=S ZINC000066639827 1084837318 /nfs/dbraw/zinc/83/73/18/1084837318.db2.gz NMVBRPUYFSHKSC-UHFFFAOYSA-N -1 1 370.478 4.031 20 0 FIADMM CCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)s1 ZINC000121782764 1084839144 /nfs/dbraw/zinc/83/91/44/1084839144.db2.gz ZTPJXRURWZBWTE-SWLSCSKDSA-N -1 1 355.463 4.180 20 0 FIADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000180218976 1084910544 /nfs/dbraw/zinc/91/05/44/1084910544.db2.gz KBALMRRRVQKQSN-OAHLLOKOSA-N -1 1 373.758 4.030 20 0 FIADMM COc1ccc(-c2cc3[n-]c(CN4CCCC4(C)C)nc(=O)c3s2)cc1 ZINC000170872738 1084942924 /nfs/dbraw/zinc/94/29/24/1084942924.db2.gz DXWTUXJAFWHYRB-UHFFFAOYSA-N -1 1 369.490 4.035 20 0 FIADMM CCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000175649427 1084978529 /nfs/dbraw/zinc/97/85/29/1084978529.db2.gz XBVMBXATQDAIMZ-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM O=C(NCCCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874670 1085010077 /nfs/dbraw/zinc/01/00/77/1085010077.db2.gz ZNWDUEBLBLJPNO-UHFFFAOYSA-N -1 1 362.351 4.255 20 0 FIADMM CN(CCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000684874900 1085013678 /nfs/dbraw/zinc/01/36/78/1085013678.db2.gz XECPIBKMUZIWIE-UHFFFAOYSA-N -1 1 366.383 4.057 20 0 FIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(-c2ccccc2)cc1 ZINC000511149194 1085098770 /nfs/dbraw/zinc/09/87/70/1085098770.db2.gz DTOJOLODIJCKJU-UHFFFAOYSA-N -1 1 361.426 4.098 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C ZINC000432202171 1085228152 /nfs/dbraw/zinc/22/81/52/1085228152.db2.gz IDGNQGDYRRZFLV-UHFFFAOYSA-N -1 1 372.446 4.131 20 0 FIADMM O=C(Nc1cc(Br)ccc1[O-])c1ccc2c(c1)CCCCC2=O ZINC000582756487 1085676198 /nfs/dbraw/zinc/67/61/98/1085676198.db2.gz SVBLTMXQNSZRLR-UHFFFAOYSA-N -1 1 374.234 4.316 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(-c4ccccc4)nc3)n2)c(Cl)c1 ZINC000582884362 1085879975 /nfs/dbraw/zinc/87/99/75/1085879975.db2.gz PAFJPXNYUNIAQK-UHFFFAOYSA-N -1 1 350.765 4.220 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C)c(C)s1 ZINC000048655506 1085913642 /nfs/dbraw/zinc/91/36/42/1085913642.db2.gz PAUGZEOUIDDFGA-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM O=S(=O)([N-]C(C1CC1)C1CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000048665688 1085918143 /nfs/dbraw/zinc/91/81/43/1085918143.db2.gz BXYMJNQZOABKAH-UHFFFAOYSA-N -1 1 354.686 4.114 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2cc(Cl)c3c(c2)OCCCO3)[n-]1 ZINC000582993819 1086006651 /nfs/dbraw/zinc/00/66/51/1086006651.db2.gz YZIOLJJXQPESOS-UHFFFAOYSA-N -1 1 374.796 4.227 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(OC2CCCC2)CC1 ZINC000583155787 1086311025 /nfs/dbraw/zinc/31/10/25/1086311025.db2.gz NZJAELFXCQSWFI-UHFFFAOYSA-N -1 1 374.868 4.158 20 0 FIADMM Cc1ccc(-c2nc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)cs2)cc1 ZINC000663260532 1086339544 /nfs/dbraw/zinc/33/95/44/1086339544.db2.gz AOAAJAFRBMUYPV-ZDUSSCGKSA-N -1 1 372.412 4.251 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1cncc([O-])c1 ZINC000583281052 1086518168 /nfs/dbraw/zinc/51/81/68/1086518168.db2.gz BBWDDEYYIBXNRO-QFIPXVFZSA-N -1 1 354.409 4.460 20 0 FIADMM CCc1nc(S[C@H](C)C(=O)c2ccc(OC)c(Cl)c2)[n-]c(=O)c1C ZINC000583451951 1086692664 /nfs/dbraw/zinc/69/26/64/1086692664.db2.gz NWEIFCXFZCODNT-SNVBAGLBSA-N -1 1 366.870 4.079 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(Cl)c1 ZINC000583455758 1086700045 /nfs/dbraw/zinc/70/00/45/1086700045.db2.gz TXRNSEOQDFUVNP-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM C[C@@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000392980561 1086787799 /nfs/dbraw/zinc/78/77/99/1086787799.db2.gz WUFYBDWYYXUBSX-RNCFNFMXSA-N -1 1 369.305 4.267 20 0 FIADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000549630177 1086834349 /nfs/dbraw/zinc/83/43/49/1086834349.db2.gz ULUFXAWDLFSRCF-CYBMUJFWSA-N -1 1 367.474 4.141 20 0 FIADMM O=C([O-])c1ccc2c(c1)CN(CCc1cccc(Cl)c1Cl)CC2 ZINC000583698511 1086922487 /nfs/dbraw/zinc/92/24/87/1086922487.db2.gz DRNTXCFANBQIHV-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000583894873 1087018362 /nfs/dbraw/zinc/01/83/62/1087018362.db2.gz LWWHBLXMVFDEDU-UHFFFAOYSA-N -1 1 368.739 4.002 20 0 FIADMM C[C@@H](c1cc(F)ccc1F)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000584236942 1087228255 /nfs/dbraw/zinc/22/82/55/1087228255.db2.gz DHMLCKNCGZJZAS-NSHDSACASA-N -1 1 369.795 4.388 20 0 FIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000096170847 1087465761 /nfs/dbraw/zinc/46/57/61/1087465761.db2.gz GLEICXRBPWIPBX-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)C=Cc2ccsc2)CC1 ZINC000068446740 1087526416 /nfs/dbraw/zinc/52/64/16/1087526416.db2.gz FJJMTJCPYCHJCH-ONEGZZNKSA-N -1 1 362.524 4.002 20 0 FIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1noc2c1CCCCC2 ZINC000128878515 1087531923 /nfs/dbraw/zinc/53/19/23/1087531923.db2.gz JTXFURYBCHYSKP-UHFFFAOYSA-N -1 1 371.181 4.237 20 0 FIADMM CCCC(=O)Nc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000611942954 1087599266 /nfs/dbraw/zinc/59/92/66/1087599266.db2.gz KBWAWKUZZDOHRA-UHFFFAOYSA-N -1 1 362.429 4.214 20 0 FIADMM CCOc1cc(-c2noc(C(F)=C3CCC3)n2)cc(Br)c1[O-] ZINC000424223728 1087853610 /nfs/dbraw/zinc/85/36/10/1087853610.db2.gz QLPQWCSGZOSSPO-UHFFFAOYSA-N -1 1 369.190 4.468 20 0 FIADMM CCOc1cc(C(=O)NCCc2ccc(Cl)s2)cc(Cl)c1[O-] ZINC000186634076 1087947426 /nfs/dbraw/zinc/94/74/26/1087947426.db2.gz ZSJWVHYYJXLVQB-UHFFFAOYSA-N -1 1 360.262 4.132 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](CC)c2nc(C)cs2)cc(Cl)c1[O-] ZINC000186785080 1087989451 /nfs/dbraw/zinc/98/94/51/1087989451.db2.gz YXDBSMAXHWDGHL-LBPRGKRZSA-N -1 1 354.859 4.090 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)cc(Cl)c1[O-] ZINC000186989118 1088059299 /nfs/dbraw/zinc/05/92/99/1088059299.db2.gz UFFSUZRNFYPQAA-UHFFFAOYSA-N -1 1 373.758 4.134 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C4CC4)no3)ccc2C)c1 ZINC000505024825 1088060129 /nfs/dbraw/zinc/06/01/29/1088060129.db2.gz PCQHFTFMCILTEQ-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(Cl)c(Cl)c1 ZINC000513817430 1088411794 /nfs/dbraw/zinc/41/17/94/1088411794.db2.gz HONSSCFCDNMYRP-UHFFFAOYSA-N -1 1 369.229 4.449 20 0 FIADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180494599 1088774080 /nfs/dbraw/zinc/77/40/80/1088774080.db2.gz UHTIXWWNSPIIOV-SJKOYZFVSA-N -1 1 365.351 4.013 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](c2ccsc2)O1 ZINC000180709059 1088777798 /nfs/dbraw/zinc/77/77/98/1088777798.db2.gz HACBPHNHETUDNL-ZUZCIYMTSA-N -1 1 371.380 4.075 20 0 FIADMM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181959430 1088874919 /nfs/dbraw/zinc/87/49/19/1088874919.db2.gz QSICQWAXWSVYKW-CYBMUJFWSA-N -1 1 354.381 4.078 20 0 FIADMM CCN(Cc1nc(C(=O)[O-])cs1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000659804032 1088894332 /nfs/dbraw/zinc/89/43/32/1088894332.db2.gz SMDUMTDSPCLZSD-NSHDSACASA-N -1 1 372.412 4.313 20 0 FIADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613664117 1089233204 /nfs/dbraw/zinc/23/32/04/1089233204.db2.gz IMRFDIOLRXNMQV-UHFFFAOYSA-N -1 1 351.337 4.228 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000460450163 1089422894 /nfs/dbraw/zinc/42/28/94/1089422894.db2.gz NKDSELIJBPEMRU-UHFFFAOYSA-N -1 1 372.490 4.133 20 0 FIADMM O=S(=O)([N-]C1(c2ccccc2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435438465 1089662110 /nfs/dbraw/zinc/66/21/10/1089662110.db2.gz OJOGLYMJRILWEX-UHFFFAOYSA-N -1 1 360.237 4.100 20 0 FIADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137272577 1089693161 /nfs/dbraw/zinc/69/31/61/1089693161.db2.gz ORTPRLFPKAYAGZ-GFCCVEGCSA-N -1 1 360.679 4.322 20 0 FIADMM O=C([O-])c1cccc2c1CC[N@@H+](CCc1cc(Cl)cc(Cl)c1)C2 ZINC000565249895 1089750258 /nfs/dbraw/zinc/75/02/58/1089750258.db2.gz JXPXXLGTKFOADS-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM O=C([O-])c1cccc2c1CCN(CCc1cc(Cl)cc(Cl)c1)C2 ZINC000565249895 1089750268 /nfs/dbraw/zinc/75/02/68/1089750268.db2.gz JXPXXLGTKFOADS-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000549372561 1089939951 /nfs/dbraw/zinc/93/99/51/1089939951.db2.gz WGJLNRYWMHPODG-KCJUWKMLSA-N -1 1 358.747 4.007 20 0 FIADMM Cc1ccc(-c2ocnc2C(=O)[N-]c2nc(-c3cccs3)ns2)cc1 ZINC000182147444 1090056485 /nfs/dbraw/zinc/05/64/85/1090056485.db2.gz TZJBZPNULJHLDJ-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c(Cl)cc1F ZINC000180277461 1090182583 /nfs/dbraw/zinc/18/25/83/1090182583.db2.gz APAJJLFLAHEXAT-UHFFFAOYSA-N -1 1 369.632 4.290 20 0 FIADMM CC(C)Cc1csc2nc(-c3cc(Br)ccn3)[n-]c(=O)c12 ZINC000416413237 1090378426 /nfs/dbraw/zinc/37/84/26/1090378426.db2.gz OYPMVGLHYMPLRF-UHFFFAOYSA-N -1 1 364.268 4.420 20 0 FIADMM COCc1ccc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000417577670 1090930279 /nfs/dbraw/zinc/93/02/79/1090930279.db2.gz XHTTYQNOPYGXCC-INIZCTEOSA-N -1 1 372.248 4.429 20 0 FIADMM O=C([O-])[C@H](CC1CC1)NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000417599231 1090938900 /nfs/dbraw/zinc/93/89/00/1090938900.db2.gz DCTABMLTNLIXLQ-HNNXBMFYSA-N -1 1 353.340 4.308 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417620528 1090941308 /nfs/dbraw/zinc/94/13/08/1090941308.db2.gz GKLBGIWQAPVRNJ-ZBFHGGJFSA-N -1 1 366.244 4.405 20 0 FIADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])[C@H]3CCOC4(CCC4)C3)o2)cc1 ZINC000417640329 1090952123 /nfs/dbraw/zinc/95/21/23/1090952123.db2.gz XMRBGWSCKMXXHP-FXAWDEMLSA-N -1 1 369.461 4.147 20 0 FIADMM CCOC[C@@H](NCc1ccc(-c2ccc(Cl)c(Cl)c2)s1)C(=O)[O-] ZINC000417661179 1090953359 /nfs/dbraw/zinc/95/33/59/1090953359.db2.gz RSQSVDYDULQTTD-CQSZACIVSA-N -1 1 374.289 4.301 20 0 FIADMM CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000759780365 1091075170 /nfs/dbraw/zinc/07/51/70/1091075170.db2.gz WSHQSPPZAHKHCE-ZDUSSCGKSA-N -1 1 368.861 4.164 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3cnn(CC)c3c2)cc1 ZINC000500303209 1091246325 /nfs/dbraw/zinc/24/63/25/1091246325.db2.gz LIUCDOSKUAGGDE-CQSZACIVSA-N -1 1 357.479 4.371 20 0 FIADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC001125952908 1091633994 /nfs/dbraw/zinc/63/39/94/1091633994.db2.gz ZAINSKPIPKQSPQ-UHFFFAOYSA-N -1 1 367.352 4.301 20 0 FIADMM CCCC[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000500540424 1092203998 /nfs/dbraw/zinc/20/39/98/1092203998.db2.gz WKBMZNMDHGVQKL-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nnc([C@H](CC)c3ccccc3)s2)co1 ZINC000509532093 1092338909 /nfs/dbraw/zinc/33/89/09/1092338909.db2.gz HZSYNLXQEHEHPF-CYBMUJFWSA-N -1 1 356.451 4.273 20 0 FIADMM COc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c(C)c1 ZINC000520892973 1092346192 /nfs/dbraw/zinc/34/61/92/1092346192.db2.gz LUDYMBYWYANUGL-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000521286100 1092617653 /nfs/dbraw/zinc/61/76/53/1092617653.db2.gz JYMDXBQTNFXQPP-UHFFFAOYSA-N -1 1 369.490 4.185 20 0 FIADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3SC)cc2O1 ZINC000442840209 1092799646 /nfs/dbraw/zinc/79/96/46/1092799646.db2.gz CWUQKRLDRFTCGA-KRWDZBQOSA-N -1 1 365.476 4.107 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc(Cl)c1[O-] ZINC000442866567 1092812630 /nfs/dbraw/zinc/81/26/30/1092812630.db2.gz WUETZXVNVDGIOJ-LBPRGKRZSA-N -1 1 363.841 4.332 20 0 FIADMM CC(C)n1c(CCNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)n[n-]c1=S ZINC000067072627 1092844035 /nfs/dbraw/zinc/84/40/35/1092844035.db2.gz IWIVUZPJLQZKEW-KGLIPLIRSA-N -1 1 352.548 4.033 20 0 FIADMM COc1cc(C(=O)NCc2oc3ccc(F)cc3c2C)cc(Cl)c1[O-] ZINC000442975055 1092883336 /nfs/dbraw/zinc/88/33/36/1092883336.db2.gz QPSOWACMEXLQIS-UHFFFAOYSA-N -1 1 363.772 4.178 20 0 FIADMM CCCN(CCc1cccs1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443130056 1092956693 /nfs/dbraw/zinc/95/66/93/1092956693.db2.gz OJBGBDPXNFQUOH-UHFFFAOYSA-N -1 1 353.871 4.211 20 0 FIADMM COc1cc(C(=O)NC2(Cc3ccccc3)CCCC2)cc(Cl)c1[O-] ZINC000443136567 1092961216 /nfs/dbraw/zinc/96/12/16/1092961216.db2.gz XDWFDLKBYVXVIR-UHFFFAOYSA-N -1 1 359.853 4.340 20 0 FIADMM COc1cc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)cc(Cl)c1[O-] ZINC000443211048 1092985927 /nfs/dbraw/zinc/98/59/27/1092985927.db2.gz KIDMOZHIENTJTR-UHFFFAOYSA-N -1 1 373.771 4.315 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cc(Cl)c1[O-] ZINC000443299642 1093033953 /nfs/dbraw/zinc/03/39/53/1093033953.db2.gz WMICPNAHWCMODN-MEDUHNTESA-N -1 1 363.816 4.417 20 0 FIADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443295145 1093038999 /nfs/dbraw/zinc/03/89/99/1093038999.db2.gz NJULYMWYHFNJTG-INIZCTEOSA-N -1 1 361.869 4.456 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1 ZINC000008675652 1093052134 /nfs/dbraw/zinc/05/21/34/1093052134.db2.gz CTMLGGXHYMUPCV-UHFFFAOYSA-N -1 1 367.474 4.205 20 0 FIADMM CCOc1cc(-c2nc(COc3cccc(F)c3)no2)cc(Cl)c1[O-] ZINC000191178273 1093095498 /nfs/dbraw/zinc/09/54/98/1093095498.db2.gz CHLNOMGNIMMPPD-UHFFFAOYSA-N -1 1 364.760 4.212 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000443406361 1093108088 /nfs/dbraw/zinc/10/80/88/1093108088.db2.gz ZWMKMXSQNJJWKW-UHFFFAOYSA-N -1 1 360.460 4.010 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000073921870 1093116875 /nfs/dbraw/zinc/11/68/75/1093116875.db2.gz VRPPPAAPHAUGLQ-LBPRGKRZSA-N -1 1 356.809 4.207 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1Cl ZINC000310663052 1093204236 /nfs/dbraw/zinc/20/42/36/1093204236.db2.gz XAVJSDIOBUQYAS-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2ccccc2SC)cc(Cl)c1[O-] ZINC000473477254 1093263907 /nfs/dbraw/zinc/26/39/07/1093263907.db2.gz ZIDWWSMHUOHHOV-UHFFFAOYSA-N -1 1 365.882 4.438 20 0 FIADMM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000665349406 1093266074 /nfs/dbraw/zinc/26/60/74/1093266074.db2.gz IUBHEHZBPXFXPQ-UHFFFAOYSA-N -1 1 358.463 4.489 20 0 FIADMM CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccccc3[O-])ccc21 ZINC000729538744 1093384304 /nfs/dbraw/zinc/38/43/04/1093384304.db2.gz ZYQHSCSKMVKZKX-UHFFFAOYSA-N -1 1 368.433 4.332 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1 ZINC000029044696 1093419786 /nfs/dbraw/zinc/41/97/86/1093419786.db2.gz YMYVKUMKOUAPDP-UHFFFAOYSA-N -1 1 372.446 4.295 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)n1 ZINC000011443500 1093483730 /nfs/dbraw/zinc/48/37/30/1093483730.db2.gz VLWSRAPKVMTBJL-CQSZACIVSA-N -1 1 373.522 4.274 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)sc1Cl ZINC000473486969 1093553979 /nfs/dbraw/zinc/55/39/79/1093553979.db2.gz IBVVKFPIVZQGSD-UHFFFAOYSA-N -1 1 363.863 4.437 20 0 FIADMM O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc2ccccc2c1[O-] ZINC001141828818 1093662494 /nfs/dbraw/zinc/66/24/94/1093662494.db2.gz NFRXTXJQCSOVIT-UHFFFAOYSA-N -1 1 365.339 4.466 20 0 FIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC000474423881 1093761234 /nfs/dbraw/zinc/76/12/34/1093761234.db2.gz APMNZUYFYIIFTQ-UHFFFAOYSA-N -1 1 370.478 4.115 20 0 FIADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1cc(F)ccc1Cl ZINC000474438127 1093786111 /nfs/dbraw/zinc/78/61/11/1093786111.db2.gz YIYXLYQJMCZUBV-UHFFFAOYSA-N -1 1 357.838 4.051 20 0 FIADMM CCc1cc2c(COC(=O)CCc3ccccc3C)cc(=O)oc2cc1[O-] ZINC000729014969 1093918433 /nfs/dbraw/zinc/91/84/33/1093918433.db2.gz WAXNGMRBKLZNLG-UHFFFAOYSA-N -1 1 366.413 4.045 20 0 FIADMM Cc1cc(-c2noc([C@H](C)NCc3cccc([O-])c3Cl)n2)ccc1F ZINC000513164357 1093959958 /nfs/dbraw/zinc/95/99/58/1093959958.db2.gz DSQXSLKLTRFTBG-NSHDSACASA-N -1 1 361.804 4.394 20 0 FIADMM CC(C)c1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000261409469 1093987673 /nfs/dbraw/zinc/98/76/73/1093987673.db2.gz RQJJABQNVKTNOM-UHFFFAOYSA-N -1 1 371.384 4.055 20 0 FIADMM CCCC[C@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000262701445 1094143291 /nfs/dbraw/zinc/14/32/91/1094143291.db2.gz KUTVUHYQKCMUIV-HNNXBMFYSA-N -1 1 366.255 4.442 20 0 FIADMM CCC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000501082966 1094497368 /nfs/dbraw/zinc/49/73/68/1094497368.db2.gz AZSYZWDALHELOC-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000896455563 1094602686 /nfs/dbraw/zinc/60/26/86/1094602686.db2.gz SSZVMCRQTKWJKS-UHFFFAOYSA-N -1 1 367.493 4.099 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ccccc2Cl)CC1 ZINC000017119191 1094627577 /nfs/dbraw/zinc/62/75/77/1094627577.db2.gz ICIFEAAYACZOBA-UHFFFAOYSA-N -1 1 366.848 4.161 20 0 FIADMM O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000017823752 1094730212 /nfs/dbraw/zinc/73/02/12/1094730212.db2.gz QMSRUOJKDZSFIX-KRWDZBQOSA-N -1 1 374.440 4.036 20 0 FIADMM COc1cc(C(=O)NCC2(c3ccccc3)CCCC2)cc(Cl)c1[O-] ZINC000545886230 1095031521 /nfs/dbraw/zinc/03/15/21/1095031521.db2.gz JCYDWPPUJUKNQI-UHFFFAOYSA-N -1 1 359.853 4.296 20 0 FIADMM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000281002715 1095469063 /nfs/dbraw/zinc/46/90/63/1095469063.db2.gz RLETWFUXLCPTCZ-NSHDSACASA-N -1 1 359.376 4.092 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000509540029 1095588562 /nfs/dbraw/zinc/58/85/62/1095588562.db2.gz KAMLVAOPHLHWGG-UHFFFAOYSA-N -1 1 366.653 4.456 20 0 FIADMM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(F)c3occc32)[nH]1 ZINC001269128435 1095591486 /nfs/dbraw/zinc/59/14/86/1095591486.db2.gz MNIVCCQQBASNFV-UHFFFAOYSA-N -1 1 373.384 4.067 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000522957108 1095915055 /nfs/dbraw/zinc/91/50/55/1095915055.db2.gz YHLNQZQIIJRLLO-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1sccc1Br ZINC000042350773 1095953624 /nfs/dbraw/zinc/95/36/24/1095953624.db2.gz CWEHVXQWIZPGRG-UHFFFAOYSA-N -1 1 354.335 4.004 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000272499126 1096186459 /nfs/dbraw/zinc/18/64/59/1096186459.db2.gz TZXIEYCBXXSONE-UHFFFAOYSA-N -1 1 370.208 4.072 20 0 FIADMM O=C([O-])c1cccc(CN2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000414644546 1096303741 /nfs/dbraw/zinc/30/37/41/1096303741.db2.gz ZXYNALJCDLYQQX-SFHVURJKSA-N -1 1 367.342 4.474 20 0 FIADMM CSc1ccccc1[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000504336753 1096753090 /nfs/dbraw/zinc/75/30/90/1096753090.db2.gz ATFIREUPDWSJFT-LLVKDONJSA-N -1 1 359.495 4.001 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000436178548 1098802280 /nfs/dbraw/zinc/80/22/80/1098802280.db2.gz VPXMXKDNTCMHAA-UHFFFAOYSA-N -1 1 368.462 4.208 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)n1 ZINC000436206274 1098814202 /nfs/dbraw/zinc/81/42/02/1098814202.db2.gz QBETUKWLKQFXDE-CYBMUJFWSA-N -1 1 373.261 4.058 20 0 FIADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436492930 1099054049 /nfs/dbraw/zinc/05/40/49/1099054049.db2.gz SQILNJPMIXGADJ-GCJKJVERSA-N -1 1 361.441 4.443 20 0 FIADMM CCOCCOCc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436493868 1099056462 /nfs/dbraw/zinc/05/64/62/1099056462.db2.gz VFVLXDGRIYGPHD-UHFFFAOYSA-N -1 1 365.429 4.351 20 0 FIADMM CN(CCCCc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436484447 1099060884 /nfs/dbraw/zinc/06/08/84/1099060884.db2.gz GVWZFYPMPHEKER-UHFFFAOYSA-N -1 1 362.267 4.250 20 0 FIADMM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000436487687 1099063813 /nfs/dbraw/zinc/06/38/13/1099063813.db2.gz KVXRHJWANFEDHT-UHFFFAOYSA-N -1 1 372.783 4.302 20 0 FIADMM CCOc1cc(-c2nc(-c3cccc4[nH]c(C)nc43)no2)cc(Cl)c1[O-] ZINC000436521626 1099077295 /nfs/dbraw/zinc/07/72/95/1099077295.db2.gz NRKXMYGPYONVOW-UHFFFAOYSA-N -1 1 370.796 4.346 20 0 FIADMM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc2ccccc2c1[O-] ZINC000436520283 1099077890 /nfs/dbraw/zinc/07/78/90/1099077890.db2.gz DTXNEJKQWXOUCK-GOSISDBHSA-N -1 1 363.413 4.356 20 0 FIADMM CCOc1ccccc1C1=CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436526024 1099083861 /nfs/dbraw/zinc/08/38/61/1099083861.db2.gz DBTSPVPBWYSVQW-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM Cc1nc(-c2cccs2)sc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000515985993 1099085588 /nfs/dbraw/zinc/08/55/88/1099085588.db2.gz SCQGCKOTBZUKDA-UHFFFAOYSA-N -1 1 372.500 4.306 20 0 FIADMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436541539 1099106896 /nfs/dbraw/zinc/10/68/96/1099106896.db2.gz YDZKUAOYOPHEHR-CQSZACIVSA-N -1 1 370.424 4.107 20 0 FIADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436541837 1099107263 /nfs/dbraw/zinc/10/72/63/1099107263.db2.gz ZCLZTDWPTFCPNI-HXUWFJFHSA-N -1 1 371.440 4.409 20 0 FIADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000436544070 1099110012 /nfs/dbraw/zinc/11/00/12/1099110012.db2.gz BCGCZDZOXJXIJX-NRFANRHFSA-N -1 1 364.420 4.486 20 0 FIADMM CCc1ccc([C@@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCO2)cc1 ZINC000436544656 1099110476 /nfs/dbraw/zinc/11/04/76/1099110476.db2.gz LQQXENNWNHGZCN-NRFANRHFSA-N -1 1 361.441 4.322 20 0 FIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCc2ccccc2C1 ZINC000436544086 1099110493 /nfs/dbraw/zinc/11/04/93/1099110493.db2.gz KCEQNBFFLIQHMF-QGZVFWFLSA-N -1 1 373.880 4.464 20 0 FIADMM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc2ccccc2c1[O-] ZINC000436563711 1099116814 /nfs/dbraw/zinc/11/68/14/1099116814.db2.gz PTAPRRFIJPGGJL-UHFFFAOYSA-N -1 1 360.413 4.097 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000436567945 1099118947 /nfs/dbraw/zinc/11/89/47/1099118947.db2.gz QAKJJOOSQFJKLY-GOSISDBHSA-N -1 1 361.397 4.251 20 0 FIADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436569408 1099120019 /nfs/dbraw/zinc/12/00/19/1099120019.db2.gz DHYMSWHXROEVHT-BBRMVZONSA-N -1 1 374.278 4.421 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)c([O-])c1 ZINC000436591802 1099123270 /nfs/dbraw/zinc/12/32/70/1099123270.db2.gz RLUIMPHQLDGCAF-UHFFFAOYSA-N -1 1 363.413 4.370 20 0 FIADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)CO1 ZINC000436591067 1099123404 /nfs/dbraw/zinc/12/34/04/1099123404.db2.gz VGULGMXQZXEEQH-HRAATJIYSA-N -1 1 361.441 4.456 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000436590303 1099136818 /nfs/dbraw/zinc/13/68/18/1099136818.db2.gz RZECZLXDSKMQMX-UHFFFAOYSA-N -1 1 360.438 4.395 20 0 FIADMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436601159 1099139113 /nfs/dbraw/zinc/13/91/13/1099139113.db2.gz BAFJEPHXQGTKHO-OAHLLOKOSA-N -1 1 369.852 4.009 20 0 FIADMM CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1OC ZINC000436614847 1099148312 /nfs/dbraw/zinc/14/83/12/1099148312.db2.gz BMJZVPDUASZAHS-UHFFFAOYSA-N -1 1 365.813 4.104 20 0 FIADMM Cc1ccccc1[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436627457 1099156381 /nfs/dbraw/zinc/15/63/81/1099156381.db2.gz TVDRPBSBOJMPMI-ZDUSSCGKSA-N -1 1 360.251 4.093 20 0 FIADMM Cc1sc(NC(=O)c2cc(F)ccc2[O-])nc1-c1c[nH]c2ncccc12 ZINC000436683267 1099217636 /nfs/dbraw/zinc/21/76/36/1099217636.db2.gz ZHIVJMBCGOYSTE-UHFFFAOYSA-N -1 1 368.393 4.092 20 0 FIADMM O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000436689949 1099222992 /nfs/dbraw/zinc/22/29/92/1099222992.db2.gz PGDHBTHZLQRARX-QUCCMNQESA-N -1 1 369.367 4.084 20 0 FIADMM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)C1 ZINC000436691530 1099225164 /nfs/dbraw/zinc/22/51/64/1099225164.db2.gz YRQHCDZNDYEZSB-QRWLVFNGSA-N -1 1 367.445 4.309 20 0 FIADMM O=C(Nc1ccccc1Nc1ccc(F)cc1F)C(=O)c1ccc([O-])cc1 ZINC000436703154 1099236563 /nfs/dbraw/zinc/23/65/63/1099236563.db2.gz CWPIYQKBFSQBAP-UHFFFAOYSA-N -1 1 368.339 4.235 20 0 FIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])c(OC)c1 ZINC000436723805 1099255248 /nfs/dbraw/zinc/25/52/48/1099255248.db2.gz WEQFFDUCWGRLAY-MRXNPFEDSA-N -1 1 361.825 4.040 20 0 FIADMM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000436739203 1099258912 /nfs/dbraw/zinc/25/89/12/1099258912.db2.gz NOHRRISMELBWBB-HNNXBMFYSA-N -1 1 354.233 4.159 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436728066 1099265438 /nfs/dbraw/zinc/26/54/38/1099265438.db2.gz HJUQVSCMCDNRQP-KRWDZBQOSA-N -1 1 355.743 4.035 20 0 FIADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436731520 1099269715 /nfs/dbraw/zinc/26/97/15/1099269715.db2.gz LSVVTTHGBFLKJY-LURJTMIESA-N -1 1 350.749 4.012 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c([O-])c1 ZINC000436755418 1099291493 /nfs/dbraw/zinc/29/14/93/1099291493.db2.gz MVGQQWIFYVJWGK-UHFFFAOYSA-N -1 1 352.434 4.004 20 0 FIADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436779496 1099300175 /nfs/dbraw/zinc/30/01/75/1099300175.db2.gz XIHHCNJNSOURSB-HNNXBMFYSA-N -1 1 365.351 4.397 20 0 FIADMM CCOc1cc(-c2noc(C[C@H]3C=CCC3)n2)cc(Br)c1[O-] ZINC000436766617 1099307511 /nfs/dbraw/zinc/30/75/11/1099307511.db2.gz DRZJQRDFZKGKRG-JTQLQIEISA-N -1 1 365.227 4.112 20 0 FIADMM CCOc1cc(-c2noc(/C=C(/C)C3CC3)n2)cc(Br)c1[O-] ZINC000436767028 1099308519 /nfs/dbraw/zinc/30/85/19/1099308519.db2.gz FPCKADLWYWNZFJ-TWGQIWQCSA-N -1 1 365.227 4.417 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)c1 ZINC000436784763 1099317131 /nfs/dbraw/zinc/31/71/31/1099317131.db2.gz BOOMVDXDNIEXKA-UHFFFAOYSA-N -1 1 365.433 4.214 20 0 FIADMM O=S(=O)([N-][C@@H]1CCCCC12CCCC2)c1cc2cc(F)ccc2o1 ZINC001212014883 1099377709 /nfs/dbraw/zinc/37/77/09/1099377709.db2.gz KRWUFEGEMJNVLV-MRXNPFEDSA-N -1 1 351.443 4.353 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccccc1C ZINC000436871908 1099383617 /nfs/dbraw/zinc/38/36/17/1099383617.db2.gz UQAQWDHBTSHHBW-UHFFFAOYSA-N -1 1 353.397 4.230 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3cncc4ccccc43)n2)c(Cl)c1 ZINC000436873013 1099384573 /nfs/dbraw/zinc/38/45/73/1099384573.db2.gz YMGPCLZPKZXVKQ-UHFFFAOYSA-N -1 1 351.793 4.429 20 0 FIADMM CCOc1cc(-c2noc(CC3(C(F)(F)F)CC3)n2)cc(Cl)c1[O-] ZINC000436873118 1099385382 /nfs/dbraw/zinc/38/53/82/1099385382.db2.gz ZCLUJTZJIOFDAP-UHFFFAOYSA-N -1 1 362.735 4.379 20 0 FIADMM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(Br)ccc1[O-] ZINC000436872669 1099385535 /nfs/dbraw/zinc/38/55/35/1099385535.db2.gz QVLSPHNYXOTFMQ-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)c(F)c1 ZINC000436873485 1099385937 /nfs/dbraw/zinc/38/59/37/1099385937.db2.gz MWHJRYVLOHXBRM-MNOVXSKESA-N -1 1 350.271 4.270 20 0 FIADMM [O-]c1ccc(-c2noc(C3(CCOCc4ccccc4)CC3)n2)cc1F ZINC000436876319 1099388095 /nfs/dbraw/zinc/38/80/95/1099388095.db2.gz YGASNNLXUFZADP-UHFFFAOYSA-N -1 1 354.381 4.220 20 0 FIADMM CN(C)[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1cccc(Cl)c1 ZINC000436875571 1099389103 /nfs/dbraw/zinc/38/91/03/1099389103.db2.gz YIPDYALABFOUJT-OAHLLOKOSA-N -1 1 364.232 4.400 20 0 FIADMM CCOc1cc(-c2nc(-c3cnc4ccc(C)cn43)no2)cc(Cl)c1[O-] ZINC000436879686 1099395638 /nfs/dbraw/zinc/39/56/38/1099395638.db2.gz HEDYAXGZJGUYOJ-UHFFFAOYSA-N -1 1 370.796 4.117 20 0 FIADMM COc1ccc(SCCCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000436880207 1099396135 /nfs/dbraw/zinc/39/61/35/1099396135.db2.gz QCNLTGBZSPWLCF-UHFFFAOYSA-N -1 1 360.410 4.315 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(Cc2nc3cc(Cl)ccc3s2)no1 ZINC000436884585 1099401839 /nfs/dbraw/zinc/40/18/39/1099401839.db2.gz BBMVBJVJEFJYNA-UHFFFAOYSA-N -1 1 361.785 4.435 20 0 FIADMM O=C(CC/C=C/c1ccccc1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436914575 1099431087 /nfs/dbraw/zinc/43/10/87/1099431087.db2.gz KBORUPFDEWXWMZ-XBXARRHUSA-N -1 1 368.824 4.263 20 0 FIADMM O=C(CC/C=C/c1ccccc1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436914575 1099431097 /nfs/dbraw/zinc/43/10/97/1099431097.db2.gz KBORUPFDEWXWMZ-XBXARRHUSA-N -1 1 368.824 4.263 20 0 FIADMM O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)C(=O)c1ccc([O-])cc1 ZINC000436935235 1099447259 /nfs/dbraw/zinc/44/72/59/1099447259.db2.gz VXKGISMWIOLFMR-OAQYLSRUSA-N -1 1 357.409 4.046 20 0 FIADMM C[C@@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1F ZINC000436982545 1099489672 /nfs/dbraw/zinc/48/96/72/1099489672.db2.gz VBPHGXKJALTMLR-JTQLQIEISA-N -1 1 374.803 4.102 20 0 FIADMM C[C@@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1F ZINC000436982545 1099489681 /nfs/dbraw/zinc/48/96/81/1099489681.db2.gz VBPHGXKJALTMLR-JTQLQIEISA-N -1 1 374.803 4.102 20 0 FIADMM CCCCn1ncc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1C ZINC000436968609 1099490128 /nfs/dbraw/zinc/49/01/28/1099490128.db2.gz UMSDYUHZQCINON-UHFFFAOYSA-N -1 1 351.834 4.002 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000436991829 1099496554 /nfs/dbraw/zinc/49/65/54/1099496554.db2.gz UQKGFIJSESLGJZ-IBGZPJMESA-N -1 1 361.441 4.019 20 0 FIADMM CSc1ccccc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436991665 1099497094 /nfs/dbraw/zinc/49/70/94/1099497094.db2.gz SCGCRSKWWNGWRH-UHFFFAOYSA-N -1 1 355.381 4.405 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000436991851 1099497252 /nfs/dbraw/zinc/49/72/52/1099497252.db2.gz UUWFXTPWKPBPJH-FQEVSTJZSA-N -1 1 361.441 4.019 20 0 FIADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000436993607 1099499000 /nfs/dbraw/zinc/49/90/00/1099499000.db2.gz DXQZIPCKSWOOJW-AWEZNQCLSA-N -1 1 363.388 4.258 20 0 FIADMM CSc1cc2c(cc1[N-]C(=O)c1cc(-c3ccccc3)on1)OCCO2 ZINC000505931141 1099531354 /nfs/dbraw/zinc/53/13/54/1099531354.db2.gz AKQKFXWHLMAFKQ-UHFFFAOYSA-N -1 1 368.414 4.087 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000437271602 1099763825 /nfs/dbraw/zinc/76/38/25/1099763825.db2.gz BFXSZOQJRUFFGE-DZGCQCFKSA-N -1 1 366.244 4.384 20 0 FIADMM CC(C)(C)c1nc(CSc2nc([O-])cc(=O)n2C2CCCC2)cs1 ZINC000192472056 1099780918 /nfs/dbraw/zinc/78/09/18/1099780918.db2.gz HWTPEUGEWVTFLA-UHFFFAOYSA-N -1 1 365.524 4.110 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)cc(Cl)c1[O-] ZINC000438026174 1100371955 /nfs/dbraw/zinc/37/19/55/1100371955.db2.gz YWARFMYBRXKCIB-HZPDHXFCSA-N -1 1 369.889 4.158 20 0 FIADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000426001879 1100647003 /nfs/dbraw/zinc/64/70/03/1100647003.db2.gz ZRKBQSAEUKSKCY-UHFFFAOYSA-N -1 1 351.855 4.370 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C)CCC3)ccc2C)c1 ZINC000426027085 1100687170 /nfs/dbraw/zinc/68/71/70/1100687170.db2.gz FUHYQGBANWJZGI-UHFFFAOYSA-N -1 1 372.490 4.233 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000438723240 1100884014 /nfs/dbraw/zinc/88/40/14/1100884014.db2.gz KLSFOAAUAXOXAN-UHFFFAOYSA-N -1 1 371.458 4.186 20 0 FIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000438802881 1100921131 /nfs/dbraw/zinc/92/11/31/1100921131.db2.gz FEOLVCZTSLXQBE-UHFFFAOYSA-N -1 1 355.818 4.119 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1C ZINC000509592685 1100988891 /nfs/dbraw/zinc/98/88/91/1100988891.db2.gz ATLREUALHSFLKS-UHFFFAOYSA-N -1 1 373.478 4.043 20 0 FIADMM CC(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000439415480 1101430313 /nfs/dbraw/zinc/43/03/13/1101430313.db2.gz ZPWQJAOJRRLWGI-UHFFFAOYSA-N -1 1 360.479 4.108 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1OC ZINC000506586117 1101470059 /nfs/dbraw/zinc/47/00/59/1101470059.db2.gz XZSXQRDWAOULQV-UHFFFAOYSA-N -1 1 369.442 4.172 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3C)c2)o1 ZINC000518740246 1101486803 /nfs/dbraw/zinc/48/68/03/1101486803.db2.gz QZGNUSFXVWXMMU-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506591309 1101500759 /nfs/dbraw/zinc/50/07/59/1101500759.db2.gz AESFWYUCTOJTBE-UHFFFAOYSA-N -1 1 351.427 4.357 20 0 FIADMM O=S(=O)([N-]c1ccc2c(cnn2C(F)F)c1)c1cccc(C(F)F)c1 ZINC000780395272 1101596010 /nfs/dbraw/zinc/59/60/10/1101596010.db2.gz OHBRHQSCJNKQEW-UHFFFAOYSA-N -1 1 373.331 4.170 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)c1 ZINC000518858277 1101669431 /nfs/dbraw/zinc/66/94/31/1101669431.db2.gz MLJYEZWIPJAUSK-UHFFFAOYSA-N -1 1 358.507 4.485 20 0 FIADMM Cc1cnc(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c([O-])c1 ZINC000460207299 1101708984 /nfs/dbraw/zinc/70/89/84/1101708984.db2.gz TUXOGOSMTFAZPX-GFCCVEGCSA-N -1 1 364.367 4.480 20 0 FIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506664663 1101736260 /nfs/dbraw/zinc/73/62/60/1101736260.db2.gz WYAFPWRQNDMLHP-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1cncc([O-])c1 ZINC000518986344 1101785746 /nfs/dbraw/zinc/78/57/46/1101785746.db2.gz KRWUZZDAJGXPRI-UHFFFAOYSA-N -1 1 353.809 4.305 20 0 FIADMM O=S(=O)([N-]c1cccc(COC2CCCCC2)c1)c1ccc(F)cc1 ZINC000519119850 1101944632 /nfs/dbraw/zinc/94/46/32/1101944632.db2.gz QBEYEWFOQGZUPD-UHFFFAOYSA-N -1 1 363.454 4.476 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000614813499 1101996716 /nfs/dbraw/zinc/99/67/16/1101996716.db2.gz UHPPBIBLMZXLAP-UHFFFAOYSA-N -1 1 368.188 4.396 20 0 FIADMM O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)c1cncc([O-])c1 ZINC000440124104 1102046796 /nfs/dbraw/zinc/04/67/96/1102046796.db2.gz UKIAGBQYBHPAKU-GOSISDBHSA-N -1 1 374.774 4.238 20 0 FIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1C ZINC000476298713 1102106259 /nfs/dbraw/zinc/10/62/59/1102106259.db2.gz YSEKDKRHYRMRSZ-UHFFFAOYSA-N -1 1 361.463 4.014 20 0 FIADMM COC(=O)c1cc(Br)c([O-])c(Nc2cc(C)c(O)c(C)c2)c1 ZINC001211914001 1102109827 /nfs/dbraw/zinc/10/98/27/1102109827.db2.gz SWRSIAMXVRPVFP-UHFFFAOYSA-N -1 1 366.211 4.007 20 0 FIADMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2cccc(Br)c2)s1 ZINC000263404886 1102118521 /nfs/dbraw/zinc/11/85/21/1102118521.db2.gz JIAQIQQDJRSIQM-SNVBAGLBSA-N -1 1 354.269 4.083 20 0 FIADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Br)c2)s1 ZINC000263404886 1102118527 /nfs/dbraw/zinc/11/85/27/1102118527.db2.gz JIAQIQQDJRSIQM-SNVBAGLBSA-N -1 1 354.269 4.083 20 0 FIADMM CCCOc1ccc(CNCc2cccc(C(=O)[O-])c2)c(OC(F)F)c1 ZINC000263448432 1102153969 /nfs/dbraw/zinc/15/39/69/1102153969.db2.gz YSQWRUDGYDUSBX-UHFFFAOYSA-N -1 1 365.376 4.065 20 0 FIADMM O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccc2c(c1)COC2 ZINC000440299737 1102180869 /nfs/dbraw/zinc/18/08/69/1102180869.db2.gz YMLDNVHTICHZLM-UHFFFAOYSA-N -1 1 371.380 4.013 20 0 FIADMM CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000476551498 1102330218 /nfs/dbraw/zinc/33/02/18/1102330218.db2.gz SDMUGSBDLSDUSB-SECBINFHSA-N -1 1 368.264 4.289 20 0 FIADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897438068 1102429851 /nfs/dbraw/zinc/42/98/51/1102429851.db2.gz VZILODDBCVYLBF-BMIGLBTASA-N -1 1 353.340 4.054 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000121765615 1102454008 /nfs/dbraw/zinc/45/40/08/1102454008.db2.gz ZRHNXWBSROZBTN-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM COc1cccc(C[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000537640961 1102577560 /nfs/dbraw/zinc/57/75/60/1102577560.db2.gz DLZHUXIFDGPXBO-GOSISDBHSA-N -1 1 361.441 4.401 20 0 FIADMM O=C(Cc1ccc(F)c(Br)c1)Nc1ccc([O-])c(Cl)c1 ZINC000111667863 1102698728 /nfs/dbraw/zinc/69/87/28/1102698728.db2.gz UODFAXDMAFSLMI-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668658 1102698910 /nfs/dbraw/zinc/69/89/10/1102698910.db2.gz SILWQXSOFQUBFO-LLVKDONJSA-N -1 1 358.829 4.322 20 0 FIADMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476709911 1102722280 /nfs/dbraw/zinc/72/22/80/1102722280.db2.gz GQUAQGJDALZMQI-VIFPVBQESA-N -1 1 370.305 4.279 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000112039794 1102760735 /nfs/dbraw/zinc/76/07/35/1102760735.db2.gz GFYDFBUVJZUMOU-UHFFFAOYSA-N -1 1 374.506 4.397 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1 ZINC000112039751 1102760867 /nfs/dbraw/zinc/76/08/67/1102760867.db2.gz UTGCAQSGINWRDH-UHFFFAOYSA-N -1 1 360.479 4.089 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(COC)cs3)n2)cc(Cl)c1[O-] ZINC000664843852 1102854067 /nfs/dbraw/zinc/85/40/67/1102854067.db2.gz BUTLBNOVZHXISB-UHFFFAOYSA-N -1 1 366.826 4.369 20 0 FIADMM CCc1cc2c(CN(CC)c3ccccc3OC)cc(=O)oc2cc1[O-] ZINC001167983415 1102880769 /nfs/dbraw/zinc/88/07/69/1102880769.db2.gz LCAQFOPAVOQBNB-UHFFFAOYSA-N -1 1 353.418 4.096 20 0 FIADMM COc1ccc(-c2ccncc2)cc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000426695400 1102926984 /nfs/dbraw/zinc/92/69/84/1102926984.db2.gz MVGLSNHMZNWFSC-GOSISDBHSA-N -1 1 368.458 4.124 20 0 FIADMM CSCC[C@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC000426705085 1102932733 /nfs/dbraw/zinc/93/27/33/1102932733.db2.gz UZPUGEGLTATNNQ-AWEZNQCLSA-N -1 1 373.396 4.261 20 0 FIADMM Cc1ccc(COc2ccc(CNCc3cc(C(=O)[O-])co3)cc2)cc1 ZINC000426716691 1102939011 /nfs/dbraw/zinc/93/90/11/1102939011.db2.gz XDYQRROEMPFZDB-UHFFFAOYSA-N -1 1 351.402 4.155 20 0 FIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cccc(Cl)c2F)cc1 ZINC000426719426 1102940063 /nfs/dbraw/zinc/94/00/63/1102940063.db2.gz GMOLFWGXGZEFAG-MRXNPFEDSA-N -1 1 351.805 4.183 20 0 FIADMM Cc1cccc([C@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1C ZINC000426720513 1102940162 /nfs/dbraw/zinc/94/01/62/1102940162.db2.gz NICFFWFYGVWXHN-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM CC(C)(C)c1nc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cs1 ZINC000426724863 1102942956 /nfs/dbraw/zinc/94/29/56/1102942956.db2.gz WOHCFGKNQQUSBJ-CQSZACIVSA-N -1 1 370.877 4.019 20 0 FIADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc2ncccc2c1 ZINC000476939027 1102964938 /nfs/dbraw/zinc/96/49/38/1102964938.db2.gz PAPOUXPIBROCCB-UHFFFAOYSA-N -1 1 361.426 4.098 20 0 FIADMM Cc1cc(C)cc([C@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000426748808 1102965913 /nfs/dbraw/zinc/96/59/13/1102965913.db2.gz AGOJPBXLYCEMIH-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000614843700 1102968298 /nfs/dbraw/zinc/96/82/98/1102968298.db2.gz KUCGFZLFNUYCJC-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CCOc1cccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000426754718 1102970252 /nfs/dbraw/zinc/97/02/52/1102970252.db2.gz SOJOKFUURFCGTA-OAHLLOKOSA-N -1 1 369.248 4.093 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000426756103 1102970350 /nfs/dbraw/zinc/97/03/50/1102970350.db2.gz IAMZIPZMNCZASH-AUUYWEPGSA-N -1 1 352.459 4.362 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000426756291 1102971708 /nfs/dbraw/zinc/97/17/08/1102971708.db2.gz JDHBWUJJAOCCCC-MLGOLLRUSA-N -1 1 358.488 4.423 20 0 FIADMM Cc1cc(C)cc([C@@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])c1 ZINC000426759514 1102974485 /nfs/dbraw/zinc/97/44/85/1102974485.db2.gz WVGXYLBYAKVJHG-OAQYLSRUSA-N -1 1 364.420 4.420 20 0 FIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(Cl)ccc2F)cc1 ZINC000426761910 1102975727 /nfs/dbraw/zinc/97/57/27/1102975727.db2.gz FJEPLYZRLGYLIZ-KRWDZBQOSA-N -1 1 351.805 4.183 20 0 FIADMM COc1ccccc1[C@@H](NCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000426782553 1102983888 /nfs/dbraw/zinc/98/38/88/1102983888.db2.gz GSBDVRSZRUIXGC-OAQYLSRUSA-N -1 1 363.413 4.403 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1Br)c1ccc(F)cc1 ZINC000426765650 1102985688 /nfs/dbraw/zinc/98/56/88/1102985688.db2.gz QXIGHPPWZCEMBE-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Br)c(Cl)s1)c1ccsc1 ZINC000426795609 1102996430 /nfs/dbraw/zinc/99/64/30/1102996430.db2.gz YQNFWWPYIYFNKY-SECBINFHSA-N -1 1 366.689 4.141 20 0 FIADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000426816439 1103011670 /nfs/dbraw/zinc/01/16/70/1103011670.db2.gz PFKVOJIJIQSSCR-OAQYLSRUSA-N -1 1 361.445 4.051 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000426821199 1103015285 /nfs/dbraw/zinc/01/52/85/1103015285.db2.gz QTBSQSDPTWKYTR-AWEZNQCLSA-N -1 1 358.196 4.057 20 0 FIADMM Cc1nn(-c2ccccc2)cc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426824107 1103020365 /nfs/dbraw/zinc/02/03/65/1103020365.db2.gz GLXTUZJSVMWQQZ-IBGZPJMESA-N -1 1 369.852 4.140 20 0 FIADMM Cc1cc([C@H](NCc2ccccc2Br)C(=O)[O-])ccc1Cl ZINC000426825366 1103024741 /nfs/dbraw/zinc/02/47/41/1103024741.db2.gz QEBVWRSCOMKUNX-HNNXBMFYSA-N -1 1 368.658 4.326 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1Br)c1ccsc1 ZINC000426838147 1103031341 /nfs/dbraw/zinc/03/13/41/1103031341.db2.gz ZISNIMPTVPTYLR-LBPRGKRZSA-N -1 1 360.660 4.080 20 0 FIADMM Cc1ncc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(Cl)c1Cl ZINC000477106049 1103104898 /nfs/dbraw/zinc/10/48/98/1103104898.db2.gz INMNKAUTXJEHLG-UHFFFAOYSA-N -1 1 363.204 4.045 20 0 FIADMM CCOC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)no2)c(F)cc1C ZINC000551345097 1103117303 /nfs/dbraw/zinc/11/73/03/1103117303.db2.gz QIQRTGMPFNRTJR-UHFFFAOYSA-N -1 1 368.364 4.218 20 0 FIADMM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477134080 1103151318 /nfs/dbraw/zinc/15/13/18/1103151318.db2.gz MZMALLWKGLLQSS-KRWDZBQOSA-N -1 1 353.447 4.292 20 0 FIADMM COc1ccccc1CN(Cc1cccc([O-])c1Cl)C[C@@H]1CCCO1 ZINC000507480287 1103425267 /nfs/dbraw/zinc/42/52/67/1103425267.db2.gz RKYHKNSODMKKLO-KRWDZBQOSA-N -1 1 361.869 4.235 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4ncco4)cc3)cc2s1 ZINC000427353043 1103457623 /nfs/dbraw/zinc/45/76/23/1103457623.db2.gz VKGDZFHRTUTFLG-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000507578159 1103506571 /nfs/dbraw/zinc/50/65/71/1103506571.db2.gz CVLVGIADWAIRSD-UHFFFAOYSA-N -1 1 372.393 4.482 20 0 FIADMM CC(=O)c1[n-]c(=N[C@H](C)c2ccc(OCc3cccnc3)cc2)sc1C ZINC000519744179 1103828708 /nfs/dbraw/zinc/82/87/08/1103828708.db2.gz XMAAJTNJYGKQJA-CYBMUJFWSA-N -1 1 367.474 4.223 20 0 FIADMM CC[C@H](C)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000440796301 1103949278 /nfs/dbraw/zinc/94/92/78/1103949278.db2.gz GCJJTJIHQGXBCR-YVEFUNNKSA-N -1 1 369.852 4.094 20 0 FIADMM O=C(c1ncc2ccccc2c1[O-])N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000614535331 1103994816 /nfs/dbraw/zinc/99/48/16/1103994816.db2.gz CBWVOHQFRPFPFP-REPLKXPHSA-N -1 1 358.441 4.491 20 0 FIADMM CCc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)nn1-c1ccccc1 ZINC000538249195 1104059043 /nfs/dbraw/zinc/05/90/43/1104059043.db2.gz OEVXLOOVWPGMEJ-UHFFFAOYSA-N -1 1 362.767 4.014 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)cc1 ZINC000102321128 1104390743 /nfs/dbraw/zinc/39/07/43/1104390743.db2.gz HGOFEJOTRALZSU-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c1F ZINC000655576034 1104501312 /nfs/dbraw/zinc/50/13/12/1104501312.db2.gz NYGYMOVXVINNPA-UHFFFAOYSA-N -1 1 373.833 4.076 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]nc1-c1ccsc1 ZINC000188967681 1104767512 /nfs/dbraw/zinc/76/75/12/1104767512.db2.gz INCJAAKWLUMGON-UHFFFAOYSA-N -1 1 354.218 4.403 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000189814920 1104845434 /nfs/dbraw/zinc/84/54/34/1104845434.db2.gz HVBLVPLDORDLPZ-UHFFFAOYSA-N -1 1 359.425 4.254 20 0 FIADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2cnc(-c3ncccn3)s2)c1F ZINC000536439970 1104958190 /nfs/dbraw/zinc/95/81/90/1104958190.db2.gz MJHDKXIHMKXTJX-UHFFFAOYSA-N -1 1 366.780 4.092 20 0 FIADMM O=C([O-])CC1(CCNCc2ncc(C(F)(F)F)s2)CCCCC1 ZINC000417649720 1105045565 /nfs/dbraw/zinc/04/55/65/1105045565.db2.gz MAHGRBASTCWLPL-UHFFFAOYSA-N -1 1 350.406 4.067 20 0 FIADMM Cc1nc(-c2ccc(N3C[C@H](c4ccccc4)C(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000135566333 1105064049 /nfs/dbraw/zinc/06/40/49/1105064049.db2.gz ZTMCSLHTCRCZIJ-LJQANCHMSA-N -1 1 374.488 4.079 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2nc3ccccc3n2C(F)F)[n-]1 ZINC000520663547 1105090617 /nfs/dbraw/zinc/09/06/17/1105090617.db2.gz NOTGEEWIPHKQRE-UHFFFAOYSA-N -1 1 358.320 4.157 20 0 FIADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C(F)(F)F ZINC000190749213 1105135156 /nfs/dbraw/zinc/13/51/56/1105135156.db2.gz SFYUBRWHEYJDPS-LBPRGKRZSA-N -1 1 369.305 4.462 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c1C ZINC000032097982 1105147357 /nfs/dbraw/zinc/14/73/57/1105147357.db2.gz PACQPZOQNZMSNK-UHFFFAOYSA-N -1 1 372.494 4.047 20 0 FIADMM Cc1ccc2nc([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)[nH]c2c1 ZINC000427637080 1105181182 /nfs/dbraw/zinc/18/11/82/1105181182.db2.gz FKTQVRUNTQUFGM-UHFFFAOYSA-N -1 1 374.224 4.118 20 0 FIADMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)ccc1F ZINC000427648078 1105222554 /nfs/dbraw/zinc/22/25/54/1105222554.db2.gz OFFRBRPCZCZIPD-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000428041509 1105346133 /nfs/dbraw/zinc/34/61/33/1105346133.db2.gz QINAWPJQCSWQLT-CYBMUJFWSA-N -1 1 351.406 4.212 20 0 FIADMM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC000530005597 1106760155 /nfs/dbraw/zinc/76/01/55/1106760155.db2.gz JJYGFJVAGSQHQG-UHFFFAOYSA-N -1 1 358.413 4.046 20 0 FIADMM CCSCc1ccnc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)c1 ZINC000450990107 1106857419 /nfs/dbraw/zinc/85/74/19/1106857419.db2.gz SMAUPCLVYMACOF-UHFFFAOYSA-N -1 1 372.462 4.214 20 0 FIADMM C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccs1 ZINC000444352176 1106893321 /nfs/dbraw/zinc/89/33/21/1106893321.db2.gz MQWBMUFKCZPLSX-CYBMUJFWSA-N -1 1 372.490 4.258 20 0 FIADMM CC(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000451098332 1106930887 /nfs/dbraw/zinc/93/08/87/1106930887.db2.gz SCSAFZCOGQXFKD-UHFFFAOYSA-N -1 1 373.474 4.165 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCc4cc(F)ccc43)nc2)[n-]c(=O)c1C ZINC000301383715 1107012223 /nfs/dbraw/zinc/01/22/23/1107012223.db2.gz VVMQTDVBCAUIAQ-QGZVFWFLSA-N -1 1 350.397 4.100 20 0 FIADMM CCS[C@@H]1CCC[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301490015 1107047055 /nfs/dbraw/zinc/04/70/55/1107047055.db2.gz AIVUCUGSTIYRMQ-JKSUJKDBSA-N -1 1 358.511 4.337 20 0 FIADMM O=C(CCc1cccs1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444370761 1107219096 /nfs/dbraw/zinc/21/90/96/1107219096.db2.gz YQLGUORFHJSRRQ-UHFFFAOYSA-N -1 1 372.490 4.088 20 0 FIADMM Clc1cccc(-c2noc([N-]Cc3nc(-c4ccccc4)c[nH]3)n2)c1 ZINC000301998808 1107245771 /nfs/dbraw/zinc/24/57/71/1107245771.db2.gz UZOOJUJTARLLPG-UHFFFAOYSA-N -1 1 351.797 4.392 20 0 FIADMM Cc1nc(-c2ccc(N3CCc4cc(Cl)ccc4C3)nc2)[n-]c(=O)c1C ZINC000302734105 1107424342 /nfs/dbraw/zinc/42/43/42/1107424342.db2.gz VORBDKVLMOGJKH-UHFFFAOYSA-N -1 1 366.852 4.077 20 0 FIADMM CCCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029431724 1107651966 /nfs/dbraw/zinc/65/19/66/1107651966.db2.gz RGUMGTFVHSSHSK-MRXNPFEDSA-N -1 1 374.506 4.186 20 0 FIADMM Cc1ccc(CCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cc1 ZINC000303828297 1107770375 /nfs/dbraw/zinc/77/03/75/1107770375.db2.gz GTSUSQRARYKSGN-UHFFFAOYSA-N -1 1 370.449 4.020 20 0 FIADMM Cc1cc(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)c(C(F)(F)F)o1 ZINC000444775946 1108172833 /nfs/dbraw/zinc/17/28/33/1108172833.db2.gz BHRHPRCRVZGVMU-UHFFFAOYSA-N -1 1 367.302 4.119 20 0 FIADMM C[C@H](NC(=O)Cc1noc(-c2ccc3ccccc3c2[O-])n1)c1ccccc1 ZINC000445291374 1108620799 /nfs/dbraw/zinc/62/07/99/1108620799.db2.gz FOBXPXZOYTYVJA-AWEZNQCLSA-N -1 1 373.412 4.015 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCO[C@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445409654 1108733261 /nfs/dbraw/zinc/73/32/61/1108733261.db2.gz BMRBJBWNTXBCHH-ZYHUDNBSSA-N -1 1 352.818 4.167 20 0 FIADMM CCOc1cc(-c2noc(-c3sc(CC)nc3C)n2)cc(Cl)c1[O-] ZINC000445426118 1108737352 /nfs/dbraw/zinc/73/73/52/1108737352.db2.gz HWJMBNUQJAYVIM-UHFFFAOYSA-N -1 1 365.842 4.489 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OC[C@@H]4CCCO4)c3)n2)c(Cl)c1 ZINC000445445589 1108771331 /nfs/dbraw/zinc/77/13/31/1108771331.db2.gz AFBZDSVKPRXPHI-HNNXBMFYSA-N -1 1 372.808 4.320 20 0 FIADMM C/C=C\c1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)c(OC)c1 ZINC000445452368 1108784263 /nfs/dbraw/zinc/78/42/63/1108784263.db2.gz BNQPMNLAHLQKKP-ARJAWSKDSA-N -1 1 356.353 4.202 20 0 FIADMM Cc1oc(-c2cccs2)nc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445454284 1108787880 /nfs/dbraw/zinc/78/78/80/1108787880.db2.gz FEGZXALZLJEXKP-UHFFFAOYSA-N -1 1 357.366 4.197 20 0 FIADMM Cc1cc(C)n(Cc2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)n1 ZINC000445456713 1108790185 /nfs/dbraw/zinc/79/01/85/1108790185.db2.gz PUVVVCMITAHKPY-UHFFFAOYSA-N -1 1 364.380 4.110 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4cccc(F)c4)n3)n2)c(F)c1 ZINC000445461110 1108794404 /nfs/dbraw/zinc/79/44/04/1108794404.db2.gz VIWLACWPEGLOKS-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM CCOc1ccccc1C(F)(F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445463773 1108797472 /nfs/dbraw/zinc/79/74/72/1108797472.db2.gz QKGXZJCWMSNVQU-UHFFFAOYSA-N -1 1 350.296 4.120 20 0 FIADMM CC(C)(C)c1noc2ncc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc21 ZINC000445478773 1108798688 /nfs/dbraw/zinc/79/86/88/1108798688.db2.gz SINSZFFIVYLNII-UHFFFAOYSA-N -1 1 354.341 4.082 20 0 FIADMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc(OC)c1C(C)C ZINC000445479820 1108799697 /nfs/dbraw/zinc/79/96/97/1108799697.db2.gz KRULYJKHPHZJTE-UHFFFAOYSA-N -1 1 358.369 4.389 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnn(-c4cccc(Cl)c4)c3)n2)cc1F ZINC000445484923 1108803768 /nfs/dbraw/zinc/80/37/68/1108803768.db2.gz YRLLMUTUZXZDSE-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4ccccc4F)n3)n2)cc1F ZINC000445483507 1108803810 /nfs/dbraw/zinc/80/38/10/1108803810.db2.gz WNHIWEAJSYMMFO-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(Br)ccc3F)n2)cc1F ZINC000445484247 1108805214 /nfs/dbraw/zinc/80/52/14/1108805214.db2.gz WVFXWVOMTBWROX-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM Cc1cn(-c2ccccc2Cl)nc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476396 1108815145 /nfs/dbraw/zinc/81/51/45/1108815145.db2.gz BXJYTFVWOSSKBG-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM COc1ccc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)c(F)c1 ZINC000445560541 1108870998 /nfs/dbraw/zinc/87/09/98/1108870998.db2.gz YEWUQBJELCLHSN-UHFFFAOYSA-N -1 1 350.349 4.334 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1C ZINC000524163202 1108877208 /nfs/dbraw/zinc/87/72/08/1108877208.db2.gz BGCMSKVICNRKFW-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM CC(C)c1nc2ccccc2n1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000445658144 1108938676 /nfs/dbraw/zinc/93/86/76/1108938676.db2.gz UTCAZDQOIWFFHQ-UHFFFAOYSA-N -1 1 352.369 4.103 20 0 FIADMM C[C@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000525070369 1109257906 /nfs/dbraw/zinc/25/79/06/1109257906.db2.gz VKRGFMKYHXBHOA-HOTGVXAUSA-N -1 1 372.490 4.252 20 0 FIADMM Cc1ncc(Cl)c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)n1 ZINC000525129961 1109273976 /nfs/dbraw/zinc/27/39/76/1109273976.db2.gz UCHBTURGGSXFAJ-UHFFFAOYSA-N -1 1 361.776 4.187 20 0 FIADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446795494 1109339713 /nfs/dbraw/zinc/33/97/13/1109339713.db2.gz WNHJQSBAKUVPBA-UHFFFAOYSA-N -1 1 359.278 4.454 20 0 FIADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000447062612 1109427790 /nfs/dbraw/zinc/42/77/90/1109427790.db2.gz BYBDQQLHQUDJMB-ZDUSSCGKSA-N -1 1 351.368 4.423 20 0 FIADMM CCNC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC000447652318 1109609495 /nfs/dbraw/zinc/60/94/95/1109609495.db2.gz LREWAQXMNNGVQO-UHFFFAOYSA-N -1 1 355.438 4.218 20 0 FIADMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000527616239 1109787663 /nfs/dbraw/zinc/78/76/63/1109787663.db2.gz YOELJXGEEFAPRL-IINYFYTJSA-N -1 1 355.825 4.227 20 0 FIADMM CC(C)c1nocc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000528458783 1109995963 /nfs/dbraw/zinc/99/59/63/1109995963.db2.gz ZBZUPPMHUQPSMV-UHFFFAOYSA-N -1 1 356.451 4.228 20 0 FIADMM CCCc1cc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)no1 ZINC000449988816 1110218507 /nfs/dbraw/zinc/21/85/07/1110218507.db2.gz NMXHCZXKNLOGIZ-UHFFFAOYSA-N -1 1 360.464 4.120 20 0 FIADMM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538832 1110284248 /nfs/dbraw/zinc/28/42/48/1110284248.db2.gz KZEYSVRCWOKCOI-LBPRGKRZSA-N -1 1 374.868 4.222 20 0 FIADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529540305 1110284656 /nfs/dbraw/zinc/28/46/56/1110284656.db2.gz XWRHPWIQZCSGTF-JTQLQIEISA-N -1 1 357.841 4.291 20 0 FIADMM Cc1nc(SCc2nc3cc(C(F)(F)F)ccc3o2)[n-]c(=O)c1C ZINC000538516437 1111176310 /nfs/dbraw/zinc/17/63/10/1111176310.db2.gz ANANBYHFWGWBEX-UHFFFAOYSA-N -1 1 355.341 4.251 20 0 FIADMM CCSc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000629491353 1111310846 /nfs/dbraw/zinc/31/08/46/1111310846.db2.gz QREMGGXXEFQCFB-FZMZJTMJSA-N -1 1 372.328 4.104 20 0 FIADMM C[C@H]1CC[C@H](CCC(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552195764 1111610471 /nfs/dbraw/zinc/61/04/71/1111610471.db2.gz GCIUOSHKNGGOJD-WCBMZHEXSA-N -1 1 362.651 4.094 20 0 FIADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000478067965 1111676323 /nfs/dbraw/zinc/67/63/23/1111676323.db2.gz NISZXBVBAMDBOB-QUCCMNQESA-N -1 1 372.490 4.108 20 0 FIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000479135787 1111952074 /nfs/dbraw/zinc/95/20/74/1111952074.db2.gz VLDJWPGYGYTPQU-UHFFFAOYSA-N -1 1 371.849 4.479 20 0 FIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1Cl ZINC000479116376 1111952448 /nfs/dbraw/zinc/95/24/48/1111952448.db2.gz UDUAVAAFEJWNPD-CYBMUJFWSA-N -1 1 367.751 4.061 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccc2ncsc2c1 ZINC000479519575 1112058176 /nfs/dbraw/zinc/05/81/76/1112058176.db2.gz WTDJGUNTTWSNGZ-UHFFFAOYSA-N -1 1 373.484 4.221 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)cc1 ZINC000479570926 1112068565 /nfs/dbraw/zinc/06/85/65/1112068565.db2.gz XCLQIVTYFXSRBL-UHFFFAOYSA-N -1 1 359.447 4.039 20 0 FIADMM CCOc1cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc(Cl)c1[O-] ZINC000553745973 1112078213 /nfs/dbraw/zinc/07/82/13/1112078213.db2.gz LYYVYOOTMLUYMT-UHFFFAOYSA-N -1 1 358.825 4.164 20 0 FIADMM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1[O-] ZINC000156027997 1112400304 /nfs/dbraw/zinc/40/03/04/1112400304.db2.gz HDZLAHANRYZZJK-UHFFFAOYSA-N -1 1 370.836 4.405 20 0 FIADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000554681144 1112440505 /nfs/dbraw/zinc/44/05/05/1112440505.db2.gz ZHUPNDGFBHQQRV-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)=O)cc1 ZINC000629314461 1112661638 /nfs/dbraw/zinc/66/16/38/1112661638.db2.gz TUZVVURCQGTSKX-UHFFFAOYSA-N -1 1 360.479 4.133 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1=CCCCCC1 ZINC000481323085 1112900511 /nfs/dbraw/zinc/90/05/11/1112900511.db2.gz SXNVIZJJJYECEQ-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1-c1ncco1 ZINC000481609031 1112993991 /nfs/dbraw/zinc/99/39/91/1112993991.db2.gz MVAPOOYSKSUFCX-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000555870382 1113036962 /nfs/dbraw/zinc/03/69/62/1113036962.db2.gz VMDIQLRUXCOUMD-MRXNPFEDSA-N -1 1 350.340 4.173 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(Cl)cc1Cl ZINC000481939910 1113139783 /nfs/dbraw/zinc/13/97/83/1113139783.db2.gz CWQCJJNCKNDRNW-UHFFFAOYSA-N -1 1 374.274 4.107 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCOc2ccccc2F)c1 ZINC000482553497 1113292314 /nfs/dbraw/zinc/29/23/14/1113292314.db2.gz MWVOOTAOOCFCRQ-UHFFFAOYSA-N -1 1 368.202 4.010 20 0 FIADMM CCO[C@H](CC(=O)Nc1cc(C)cc(Br)c1[O-])C1=CCCC1 ZINC000482574543 1113300702 /nfs/dbraw/zinc/30/07/02/1113300702.db2.gz IYFWNWXNZWEHMJ-OAHLLOKOSA-N -1 1 368.271 4.307 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c(C)c1 ZINC000483163911 1113459606 /nfs/dbraw/zinc/45/96/06/1113459606.db2.gz BYTWOIHLINCPCS-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c(C)c1 ZINC000486087522 1113502530 /nfs/dbraw/zinc/50/25/30/1113502530.db2.gz POLUZJCPBIRQMG-UHFFFAOYSA-N -1 1 373.474 4.177 20 0 FIADMM CC[C@H](C)Oc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000486326060 1113544780 /nfs/dbraw/zinc/54/47/80/1113544780.db2.gz XYNHJIYAIUXFRW-AWEZNQCLSA-N -1 1 363.417 4.070 20 0 FIADMM CCSc1nnc([N-]C(=O)c2cnc(-c3ccsc3)s2)s1 ZINC000486707114 1113626308 /nfs/dbraw/zinc/62/63/08/1113626308.db2.gz IVXJHGUQOVTSTL-UHFFFAOYSA-N -1 1 354.507 4.087 20 0 FIADMM Cc1cc(C(=O)Nc2cccc([O-])c2Br)c(C)n1C(C)C ZINC000908714346 1113688159 /nfs/dbraw/zinc/68/81/59/1113688159.db2.gz KDAZGQLBMOSTGR-UHFFFAOYSA-N -1 1 351.244 4.406 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000488220772 1113880719 /nfs/dbraw/zinc/88/07/19/1113880719.db2.gz OALHRHBUAXVFEC-UHFFFAOYSA-N -1 1 360.479 4.034 20 0 FIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000489727618 1114164206 /nfs/dbraw/zinc/16/42/06/1114164206.db2.gz WQVPTDCUXLJOHI-UHFFFAOYSA-N -1 1 373.478 4.207 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@H]2COc3c2cccc3Cl)cnc1Cl ZINC001127083855 1114373435 /nfs/dbraw/zinc/37/34/35/1114373435.db2.gz HCWNWLRPSLXBSK-LBPRGKRZSA-N -1 1 373.186 4.039 20 0 FIADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000669242253 1114503932 /nfs/dbraw/zinc/50/39/32/1114503932.db2.gz CTOFETQFTGRMCS-UHFFFAOYSA-N -1 1 368.477 4.142 20 0 FIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)n1 ZINC000588077702 1114520099 /nfs/dbraw/zinc/52/00/99/1114520099.db2.gz NQEMRMHJHUJYJJ-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM CC(C)[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(C)C1CCCCC1 ZINC000571963250 1114562135 /nfs/dbraw/zinc/56/21/35/1114562135.db2.gz YWQVRGLIJDKSFB-AWEZNQCLSA-N -1 1 373.469 4.028 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1 ZINC000588833541 1114655630 /nfs/dbraw/zinc/65/56/30/1114655630.db2.gz OXCXKTNNRLPDMQ-UHFFFAOYSA-N -1 1 358.463 4.014 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)c2ccccc12 ZINC000588833311 1114662393 /nfs/dbraw/zinc/66/23/93/1114662393.db2.gz IHODJUBMXZWAMH-CQSZACIVSA-N -1 1 371.458 4.357 20 0 FIADMM CC(C)C[C@@H](C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000589876685 1114851642 /nfs/dbraw/zinc/85/16/42/1114851642.db2.gz GQERWNFVLPFUKJ-MRXNPFEDSA-N -1 1 374.506 4.498 20 0 FIADMM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590069853 1114892877 /nfs/dbraw/zinc/89/28/77/1114892877.db2.gz IJKCEBNBMYQWPR-JQWIXIFHSA-N -1 1 366.346 4.148 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc(C(F)(F)F)ccc1F ZINC000590695378 1114965286 /nfs/dbraw/zinc/96/52/86/1114965286.db2.gz VPERPQZIFZALNV-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1cccc(Cl)c1 ZINC000591683216 1115122368 /nfs/dbraw/zinc/12/23/68/1115122368.db2.gz QRSFTHKTFXMAKC-UHFFFAOYSA-N -1 1 374.849 4.115 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cc(F)c(F)cc3Cl)[nH][n-]2)s1 ZINC000591827803 1115150876 /nfs/dbraw/zinc/15/08/76/1115150876.db2.gz DMFYBAKTZPUIAY-UHFFFAOYSA-N -1 1 353.781 4.052 20 0 FIADMM CCc1nc(SCc2cc(F)cc(Br)c2)[n-]c(=O)c1C ZINC000573936172 1115191793 /nfs/dbraw/zinc/19/17/93/1115191793.db2.gz WOVZYFFBIASLFX-UHFFFAOYSA-N -1 1 357.248 4.247 20 0 FIADMM COc1ccc(-c2csc(NC(=O)c3c(F)ccc([O-])c3F)n2)cc1 ZINC000573961983 1115225617 /nfs/dbraw/zinc/22/56/17/1115225617.db2.gz XCVROHFGYJZKCQ-UHFFFAOYSA-N -1 1 362.357 4.055 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(C3CCCC3)s2)cc1 ZINC000669470398 1115282239 /nfs/dbraw/zinc/28/22/39/1115282239.db2.gz AESVAOUYUMQIJU-QGZVFWFLSA-N -1 1 360.479 4.115 20 0 FIADMM CC1(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000574551384 1115421089 /nfs/dbraw/zinc/42/10/89/1115421089.db2.gz LEPYKTSMZASJSL-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1csc(-c2ccoc2)n1 ZINC000594418531 1115446733 /nfs/dbraw/zinc/44/67/33/1115446733.db2.gz SEZJXIAHAIKHEW-UHFFFAOYSA-N -1 1 368.443 4.098 20 0 FIADMM CCOc1cc(-c2nc(CC3(CSC)CC3)no2)cc(Cl)c1[O-] ZINC000596609068 1115602284 /nfs/dbraw/zinc/60/22/84/1115602284.db2.gz NSRUMVGDALOWFW-UHFFFAOYSA-N -1 1 354.859 4.180 20 0 FIADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000171207108 1115853246 /nfs/dbraw/zinc/85/32/46/1115853246.db2.gz VVIFXNCHVJQFSM-OLZOCXBDSA-N -1 1 364.540 4.144 20 0 FIADMM CCSCc1ccnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000761365713 1115857763 /nfs/dbraw/zinc/85/77/63/1115857763.db2.gz LKLPBETVQPORBL-NTMALXAHSA-N -1 1 368.911 4.401 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N([C@@H](C)C(C)C)C2CC2)cc1 ZINC000171465524 1115867271 /nfs/dbraw/zinc/86/72/71/1115867271.db2.gz HTIZQGQPUIZAMA-HNNXBMFYSA-N -1 1 372.538 4.342 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000171751105 1115874418 /nfs/dbraw/zinc/87/44/18/1115874418.db2.gz FBIFULCJGLMIKR-UHFFFAOYSA-N -1 1 362.451 4.143 20 0 FIADMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606903459 1115981652 /nfs/dbraw/zinc/98/16/52/1115981652.db2.gz SWDXOVWURWBHHN-SKDRFNHKSA-N -1 1 355.809 4.216 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1OCC ZINC000607880426 1116069131 /nfs/dbraw/zinc/06/91/31/1116069131.db2.gz VWKCXSVWLCJQOX-UHFFFAOYSA-N -1 1 363.479 4.408 20 0 FIADMM CC[C@]1(C)CCCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000173502021 1116072554 /nfs/dbraw/zinc/07/25/54/1116072554.db2.gz HSGBUSXYUGJGOM-HXUWFJFHSA-N -1 1 372.538 4.345 20 0 FIADMM Cc1ccc(OCc2cccc(C(=O)Nc3c([O-])cccc3F)c2)cn1 ZINC000608366948 1116102726 /nfs/dbraw/zinc/10/27/26/1116102726.db2.gz CTVSBGRGSGCJKU-UHFFFAOYSA-N -1 1 352.365 4.066 20 0 FIADMM CCOc1ccc(F)c([N-]C(=O)c2cnc(-c3ccco3)s2)c1F ZINC000534034952 1116148335 /nfs/dbraw/zinc/14/83/35/1116148335.db2.gz NUOALFHSFMEBFZ-UHFFFAOYSA-N -1 1 350.346 4.332 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456575324 1116204716 /nfs/dbraw/zinc/20/47/16/1116204716.db2.gz UKOMEDPJOBOKTJ-HNNXBMFYSA-N -1 1 351.324 4.371 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1CC ZINC000534495796 1116207534 /nfs/dbraw/zinc/20/75/34/1116207534.db2.gz SFABNVSVIGMSLK-UHFFFAOYSA-N -1 1 374.506 4.207 20 0 FIADMM COc1cc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)cc(Cl)c1[O-] ZINC000456719825 1116213667 /nfs/dbraw/zinc/21/36/67/1116213667.db2.gz DYLWLSPUZLQAGM-UHFFFAOYSA-N -1 1 366.244 4.213 20 0 FIADMM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456795114 1116219207 /nfs/dbraw/zinc/21/92/07/1116219207.db2.gz TURVZRZPYSKJLO-UHFFFAOYSA-N -1 1 361.388 4.471 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(CC(C)C)c2cccc(Cl)c2)c1 ZINC000456805904 1116221389 /nfs/dbraw/zinc/22/13/89/1116221389.db2.gz WTANXWRWAYJSQN-UHFFFAOYSA-N -1 1 360.841 4.307 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000456838553 1116223989 /nfs/dbraw/zinc/22/39/89/1116223989.db2.gz OFWSBRQEFTYPBH-OAHLLOKOSA-N -1 1 367.779 4.310 20 0 FIADMM Cc1ccc(SCc2n[n-]c(=NC(C)(C)C)n2C[C@H]2CCCCO2)cc1 ZINC000463113553 1117970538 /nfs/dbraw/zinc/97/05/38/1117970538.db2.gz ZCKFCYMFQDCVPT-MRXNPFEDSA-N -1 1 374.554 4.080 20 0 FIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2nnc(-c3ccccc3)s2)s1 ZINC000463168348 1118002054 /nfs/dbraw/zinc/00/20/54/1118002054.db2.gz GXPFXNJENICYEP-JTQLQIEISA-N -1 1 360.464 4.011 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463520664 1118202291 /nfs/dbraw/zinc/20/22/91/1118202291.db2.gz RYGVNLROZLMJSK-UHFFFAOYSA-N -1 1 371.911 4.399 20 0 FIADMM CCc1sc(-c2nnc(CSc3nc(C)c(C)c(=O)[n-]3)o2)cc1C ZINC000540715404 1118210659 /nfs/dbraw/zinc/21/06/59/1118210659.db2.gz MATWQWFWSGUACZ-UHFFFAOYSA-N -1 1 362.480 4.074 20 0 FIADMM Cc1cccc([C@@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)c1 ZINC000541342012 1118479523 /nfs/dbraw/zinc/47/95/23/1118479523.db2.gz AVZZGQUCIUFJIJ-LJQANCHMSA-N -1 1 360.461 4.163 20 0 FIADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC000913666798 1118957501 /nfs/dbraw/zinc/95/75/01/1118957501.db2.gz LBAVQMWNJYWNRW-QGZVFWFLSA-N -1 1 371.440 4.242 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000491979418 1119000648 /nfs/dbraw/zinc/00/06/48/1119000648.db2.gz OXIDQRSHGXHZOX-HOTGVXAUSA-N -1 1 353.809 4.178 20 0 FIADMM O=C(CCC1CCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000175837104 1119235763 /nfs/dbraw/zinc/23/57/63/1119235763.db2.gz ADYMGDGMAFIGAJ-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccs2)c1 ZINC000031346132 1119467993 /nfs/dbraw/zinc/46/79/93/1119467993.db2.gz ISEIYGDRARRTQI-UHFFFAOYSA-N -1 1 372.519 4.026 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)C)ccc1C ZINC000187444381 1119784249 /nfs/dbraw/zinc/78/42/49/1119784249.db2.gz WWJZYFCPBAWDPY-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000494295559 1119822383 /nfs/dbraw/zinc/82/23/83/1119822383.db2.gz LKSJAQFGPCPGNK-ZCFIWIBFSA-N -1 1 370.245 4.454 20 0 FIADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(CC(F)(F)F)cc1 ZINC000189281348 1119883160 /nfs/dbraw/zinc/88/31/60/1119883160.db2.gz QXTICFTVOGLRGA-UHFFFAOYSA-N -1 1 354.353 4.074 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCC2CCCC2)c1 ZINC000031931739 1119901035 /nfs/dbraw/zinc/90/10/35/1119901035.db2.gz NOGYZZZZOLTLTL-UHFFFAOYSA-N -1 1 358.511 4.003 20 0 FIADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000190319873 1119934747 /nfs/dbraw/zinc/93/47/47/1119934747.db2.gz YVQWYTOEEARMSO-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM Cc1ccc(-c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3[O-])n2)cn1 ZINC000761634027 1119942098 /nfs/dbraw/zinc/94/20/98/1119942098.db2.gz TZBVEACNKSZKIA-UHFFFAOYSA-N -1 1 368.393 4.160 20 0 FIADMM Cc1cccc(C(=O)N2CCCC2)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192190679 1120038326 /nfs/dbraw/zinc/03/83/26/1120038326.db2.gz BNMJHZGSZRFTMU-UHFFFAOYSA-N -1 1 373.840 4.234 20 0 FIADMM CCN(C(=O)c1cc(Br)ccc1[O-])c1ccc(Cl)cc1 ZINC000914472223 1120186241 /nfs/dbraw/zinc/18/62/41/1120186241.db2.gz OMLBWAYVGRYHHY-UHFFFAOYSA-N -1 1 354.631 4.475 20 0 FIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000194176530 1120247479 /nfs/dbraw/zinc/24/74/79/1120247479.db2.gz QSPPEQHYUJAYBX-UHFFFAOYSA-N -1 1 373.261 4.143 20 0 FIADMM CCC(CC)(Cc1nc2ccccc2s1)C(=O)[N-]OCc1cccnc1 ZINC000153277811 1120436978 /nfs/dbraw/zinc/43/69/78/1120436978.db2.gz PXBLPSMSNXPCAO-UHFFFAOYSA-N -1 1 369.490 4.288 20 0 FIADMM CCC[C@@H](C)c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000761843838 1120539281 /nfs/dbraw/zinc/53/92/81/1120539281.db2.gz CLRHLEIHVLZRBH-CQSZACIVSA-N -1 1 371.462 4.441 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc3ccncc3s2)c(F)c1F ZINC001127321388 1120560705 /nfs/dbraw/zinc/56/07/05/1120560705.db2.gz HMBBVSIEYPLXGQ-UHFFFAOYSA-N -1 1 350.321 4.169 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1 ZINC000231656845 1120637036 /nfs/dbraw/zinc/63/70/36/1120637036.db2.gz SEKQDVCWBKBBBT-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Br)sc1Cl ZINC000231808818 1120655029 /nfs/dbraw/zinc/65/50/29/1120655029.db2.gz KAHLFSMRMPCVPO-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM O=C1OCCN1c1cccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c1 ZINC000762198551 1120778839 /nfs/dbraw/zinc/77/88/39/1120778839.db2.gz WQHFWEWPDYJQOK-UHFFFAOYSA-N -1 1 373.368 4.219 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC000028260451 1121020588 /nfs/dbraw/zinc/02/05/88/1121020588.db2.gz SWZGOCTWBWFCBU-UHFFFAOYSA-N -1 1 359.447 4.011 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000031395501 1121081988 /nfs/dbraw/zinc/08/19/88/1121081988.db2.gz GANBQMKFIWCAQD-CQSZACIVSA-N -1 1 374.440 4.385 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c1C ZINC000031669270 1121089036 /nfs/dbraw/zinc/08/90/36/1121089036.db2.gz YUWSWWNIMRYWTR-UHFFFAOYSA-N -1 1 374.506 4.316 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)cc1 ZINC000033603499 1121130317 /nfs/dbraw/zinc/13/03/17/1121130317.db2.gz QSBXREMEXAYIRE-UHFFFAOYSA-N -1 1 363.479 4.192 20 0 FIADMM CC(C)(C)c1ccc(CNC(=O)c2ccc(Br)c([O-])c2)s1 ZINC001649020589 1121193807 /nfs/dbraw/zinc/19/38/07/1121193807.db2.gz OONZZKNHBIAUGS-UHFFFAOYSA-N -1 1 368.296 4.444 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000046071219 1121266508 /nfs/dbraw/zinc/26/65/08/1121266508.db2.gz GFEUCYTWDWPDAL-UHFFFAOYSA-N -1 1 360.479 4.034 20 0 FIADMM O=C(c1cc(F)cc(Nc2c([O-])cc(F)cc2F)c1)N1CCCCC1 ZINC001212213432 1121270770 /nfs/dbraw/zinc/27/07/70/1121270770.db2.gz ZSZCOQWKUWTWMZ-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(F)(F)c1cccc(Cl)c1 ZINC000763224520 1121297502 /nfs/dbraw/zinc/29/75/02/1121297502.db2.gz KRHJJWQGMNDYBD-UHFFFAOYSA-N -1 1 363.751 4.166 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000057157120 1121356298 /nfs/dbraw/zinc/35/62/98/1121356298.db2.gz SUCWTGRHMAUSEH-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM CN(CCCOc1cccc(Cl)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000059803816 1121452757 /nfs/dbraw/zinc/45/27/57/1121452757.db2.gz ONKIGXIJZDJPRR-UHFFFAOYSA-N -1 1 354.233 4.240 20 0 FIADMM CCOc1cc(-c2nc3ccc(C(C)C)cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000060797443 1121495372 /nfs/dbraw/zinc/49/53/72/1121495372.db2.gz RXETYGAHWVMMJA-UHFFFAOYSA-N -1 1 358.825 4.471 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000061196986 1121510023 /nfs/dbraw/zinc/51/00/23/1121510023.db2.gz XRXGNNYNWKKORD-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000037408625 1121573931 /nfs/dbraw/zinc/57/39/31/1121573931.db2.gz DQPBSZDTKZNIBB-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)no1 ZINC000063849780 1121591212 /nfs/dbraw/zinc/59/12/12/1121591212.db2.gz UKTSMRNZGXHOJQ-UHFFFAOYSA-N -1 1 371.462 4.143 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1Cl ZINC000064476410 1121615967 /nfs/dbraw/zinc/61/59/67/1121615967.db2.gz AEGRXMCXWHDHMH-UHFFFAOYSA-N -1 1 357.884 4.261 20 0 FIADMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000123672029 1121623893 /nfs/dbraw/zinc/62/38/93/1121623893.db2.gz BEELCLFNHPSKAQ-UHFFFAOYSA-N -1 1 356.227 4.003 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938261 1121645546 /nfs/dbraw/zinc/64/55/46/1121645546.db2.gz IGUJFCBJIGXIMD-UHFFFAOYSA-N -1 1 365.882 4.376 20 0 FIADMM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1[O-] ZINC000065782348 1121705787 /nfs/dbraw/zinc/70/57/87/1121705787.db2.gz IHTORZOTBZBTPH-UHFFFAOYSA-N -1 1 354.793 4.272 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1 ZINC000064476751 1121771388 /nfs/dbraw/zinc/77/13/88/1121771388.db2.gz RLWJVNZUOWQRNB-UHFFFAOYSA-N -1 1 374.487 4.481 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000068453769 1121828304 /nfs/dbraw/zinc/82/83/04/1121828304.db2.gz GHEKYWKQWFMZIQ-UHFFFAOYSA-N -1 1 370.478 4.035 20 0 FIADMM CCc1ccsc1C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068446627 1121829510 /nfs/dbraw/zinc/82/95/10/1121829510.db2.gz UENGZFSVURGYRE-UHFFFAOYSA-N -1 1 364.540 4.165 20 0 FIADMM C[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000073445757 1121930811 /nfs/dbraw/zinc/93/08/11/1121930811.db2.gz FJQMBSVCXWZSIP-MRXNPFEDSA-N -1 1 351.446 4.007 20 0 FIADMM C[C@@H](c1ccco1)N(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000126326305 1121945088 /nfs/dbraw/zinc/94/50/88/1121945088.db2.gz NULRVEWAXQFTJH-JTQLQIEISA-N -1 1 350.212 4.114 20 0 FIADMM O=C(c1cc(F)cc(Nc2ccc(F)c(F)c2[O-])c1)N1CCCCC1 ZINC001212217880 1121964754 /nfs/dbraw/zinc/96/47/54/1121964754.db2.gz KGUQZEHAJGXPSS-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM O=C(c1cc(F)cc(Nc2cc(F)c([O-])cc2F)c1)N1CCCCC1 ZINC001212217877 1121964791 /nfs/dbraw/zinc/96/47/91/1121964791.db2.gz KFTWYBAGKYUIJO-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM C[C@H](Nc1ccc2c(c1)OCO2)c1cc(Br)cc(F)c1[O-] ZINC000186242503 1121976045 /nfs/dbraw/zinc/97/60/45/1121976045.db2.gz JQFYKDUMIQGEDH-QMMMGPOBSA-N -1 1 354.175 4.196 20 0 FIADMM C[C@H](Nc1cnn(CC2CC2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186358476 1122053921 /nfs/dbraw/zinc/05/39/21/1122053921.db2.gz ZJEAOLQEBPLMTO-VIFPVBQESA-N -1 1 354.223 4.073 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000055595082 1122256144 /nfs/dbraw/zinc/25/61/44/1122256144.db2.gz YDSINMFKSCPNOE-UHFFFAOYSA-N -1 1 368.458 4.298 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1C ZINC000055615366 1122258092 /nfs/dbraw/zinc/25/80/92/1122258092.db2.gz LOYPDOOVCWZCFX-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000055638566 1122259547 /nfs/dbraw/zinc/25/95/47/1122259547.db2.gz HDTQVISOVAESHV-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1c1cccs1 ZINC000128837641 1122429008 /nfs/dbraw/zinc/42/90/08/1122429008.db2.gz JMICZNSTMCMFKK-LBPRGKRZSA-N -1 1 352.253 4.194 20 0 FIADMM CCC[C@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000498208802 1122627974 /nfs/dbraw/zinc/62/79/74/1122627974.db2.gz DRVSOKNVFIKFTN-ZDUSSCGKSA-N -1 1 364.442 4.001 20 0 FIADMM CC(C)n1cc(Br)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000070333835 1122726359 /nfs/dbraw/zinc/72/63/59/1122726359.db2.gz GNBMJHRBAFXXFW-UHFFFAOYSA-N -1 1 357.635 4.443 20 0 FIADMM CCCc1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000556347240 1122827459 /nfs/dbraw/zinc/82/74/59/1122827459.db2.gz IGDXMYDRKYKQQP-UHFFFAOYSA-N -1 1 367.854 4.100 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)ccc1F ZINC000071795408 1122932059 /nfs/dbraw/zinc/93/20/59/1122932059.db2.gz IGGFBCQYDOHWOH-MRXNPFEDSA-N -1 1 357.809 4.048 20 0 FIADMM CCC(C)(CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000498692296 1122951681 /nfs/dbraw/zinc/95/16/81/1122951681.db2.gz XLZCYVFSFIDUCJ-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc([O-])c(Cl)c1 ZINC000072042069 1122971462 /nfs/dbraw/zinc/97/14/62/1122971462.db2.gz VPJOJUXVEMVKKQ-XFFZJAGNSA-N -1 1 359.212 4.353 20 0 FIADMM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000132763216 1123357165 /nfs/dbraw/zinc/35/71/65/1123357165.db2.gz TUYDYDOBOYFAKA-YLJYHZDGSA-N -1 1 372.490 4.171 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cc1 ZINC000075081467 1123448438 /nfs/dbraw/zinc/44/84/38/1123448438.db2.gz ZFSPKJNGJVXPRP-UHFFFAOYSA-N -1 1 374.506 4.442 20 0 FIADMM CN(Cc1cc(Br)ccc1F)C(=O)c1c([O-])cccc1Cl ZINC000920444636 1123458086 /nfs/dbraw/zinc/45/80/86/1123458086.db2.gz JACWWTQLMQXXIB-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(Br)c1 ZINC000920445317 1123458208 /nfs/dbraw/zinc/45/82/08/1123458208.db2.gz BIPNJVXBLAVWLE-VIFPVBQESA-N -1 1 354.631 4.299 20 0 FIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(F)c(F)cc3F)s2)cc1 ZINC000133979664 1123580835 /nfs/dbraw/zinc/58/08/35/1123580835.db2.gz GHHGFVIXPBGTOY-UHFFFAOYSA-N -1 1 363.364 4.107 20 0 FIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(Cl)cc3C)c2C)o1 ZINC000135408724 1123751223 /nfs/dbraw/zinc/75/12/23/1123751223.db2.gz FFLBMFLRNXEYKY-UHFFFAOYSA-N -1 1 365.842 4.049 20 0 FIADMM CN(CCc1ccccc1F)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000068620989 1124297940 /nfs/dbraw/zinc/29/79/40/1124297940.db2.gz VBORDJOJQFFDSN-UHFFFAOYSA-N -1 1 362.518 4.335 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2csc(-c3ccco3)n2)[n-]1 ZINC000109713392 1124589943 /nfs/dbraw/zinc/58/99/43/1124589943.db2.gz FZZJYVUEUVOLFR-UHFFFAOYSA-N -1 1 359.354 4.210 20 0 FIADMM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1cc2ccccc2o1 ZINC000084936132 1124703471 /nfs/dbraw/zinc/70/34/71/1124703471.db2.gz RNFLGLGRHIDWQP-IBGZPJMESA-N -1 1 353.399 4.094 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618109315 1125080708 /nfs/dbraw/zinc/08/07/08/1125080708.db2.gz IBNILYYWUNBRSZ-FQEVSTJZSA-N -1 1 363.413 4.132 20 0 FIADMM CCOc1cc(C(=O)N2CC(Cc3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000618884681 1125304013 /nfs/dbraw/zinc/30/40/13/1125304013.db2.gz ITTKIRKYQQIKPY-UHFFFAOYSA-N -1 1 359.853 4.067 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000006553180 204253216 /nfs/dbraw/zinc/25/32/16/204253216.db2.gz ZBUUMJOFLJDCAV-UHFFFAOYSA-N -1 1 351.427 4.357 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911170 205295015 /nfs/dbraw/zinc/29/50/15/205295015.db2.gz KHIHYKJMYFYMHO-UHFFFAOYSA-N -1 1 365.373 4.367 20 0 FIADMM O=C(Nc1cccc(OC(F)F)c1)c1cc(Br)ccc1[O-] ZINC000107873481 206024668 /nfs/dbraw/zinc/02/46/68/206024668.db2.gz XZXYDLXVQWOTDE-UHFFFAOYSA-N -1 1 358.138 4.008 20 0 FIADMM CC(C)C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000113404654 206298714 /nfs/dbraw/zinc/29/87/14/206298714.db2.gz ZHXGFZWDQXYOMJ-HNNXBMFYSA-N -1 1 366.255 4.298 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000187019725 568000822 /nfs/dbraw/zinc/00/08/22/568000822.db2.gz WTUFGFRTCJUJDY-UHFFFAOYSA-N -1 1 363.291 4.220 20 0 FIADMM COC(=O)c1scc(C)c1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000186944722 568020461 /nfs/dbraw/zinc/02/04/61/568020461.db2.gz PGNSWCBSCZZRMO-UHFFFAOYSA-N -1 1 356.403 4.059 20 0 FIADMM CCC/C=C\c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000603632433 568128177 /nfs/dbraw/zinc/12/81/77/568128177.db2.gz NZSZQNRMLLRZBF-SREVYHEPSA-N -1 1 353.216 4.417 20 0 FIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2)n1 ZINC000604305382 568247275 /nfs/dbraw/zinc/24/72/75/568247275.db2.gz SXEGIIFZSMMVKH-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM CCOC(=O)c1sc(/C=C/c2cc(Cl)c([O-])c(OC)c2)nc1C ZINC000604565382 568317089 /nfs/dbraw/zinc/31/70/89/568317089.db2.gz MVUQIPYXJQQEHB-AATRIKPKSA-N -1 1 353.827 4.166 20 0 FIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000007378994 568503726 /nfs/dbraw/zinc/50/37/26/568503726.db2.gz YFBZTVKMUMQHIK-UHFFFAOYSA-N -1 1 365.882 4.468 20 0 FIADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000028196732 568529385 /nfs/dbraw/zinc/52/93/85/568529385.db2.gz SQMFVLJXUSZUJB-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM O=S(=O)([N-][C@H]1CSc2ccccc21)c1c(Cl)cccc1Cl ZINC000605164041 568592690 /nfs/dbraw/zinc/59/26/90/568592690.db2.gz GOVOYYUIXDHEEX-LBPRGKRZSA-N -1 1 360.287 4.119 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Cl)cc(Cl)n2)c(F)c1F ZINC000763538711 1125549226 /nfs/dbraw/zinc/54/92/26/1125549226.db2.gz MOXHRNYOXOHPPB-UHFFFAOYSA-N -1 1 363.122 4.261 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000182879071 1125660291 /nfs/dbraw/zinc/66/02/91/1125660291.db2.gz LRFMXXUMSQMDLJ-UHFFFAOYSA-N -1 1 360.675 4.225 20 0 FIADMM C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000683078087 1079541398 /nfs/dbraw/zinc/54/13/98/1079541398.db2.gz VIHAXEKCLMXFFM-LBPRGKRZSA-N -1 1 356.813 4.495 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)c(Cl)c3)n2)cc1F ZINC000445479248 1079768696 /nfs/dbraw/zinc/76/86/96/1079768696.db2.gz JJHPYJQLTRZDQQ-UHFFFAOYSA-N -1 1 355.152 4.467 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)ccc2Cl)cc1 ZINC000683170773 1079797917 /nfs/dbraw/zinc/79/79/17/1079797917.db2.gz AGWJXKFYRXZEJK-INIZCTEOSA-N -1 1 354.233 4.308 20 0 FIADMM COc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc(Cl)c1[O-] ZINC000153582606 1079816554 /nfs/dbraw/zinc/81/65/54/1079816554.db2.gz RJQVXQCUSOPCGA-MRXNPFEDSA-N -1 1 360.841 4.207 20 0 FIADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1cccc(Br)c1 ZINC000683175326 1079821889 /nfs/dbraw/zinc/82/18/89/1079821889.db2.gz UWFDZFKJXLMYGP-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM CC(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1F ZINC000510086816 1079926190 /nfs/dbraw/zinc/92/61/90/1079926190.db2.gz FRIKSRDLNKEROP-UHFFFAOYSA-N -1 1 350.271 4.363 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000059779119 1080260713 /nfs/dbraw/zinc/26/07/13/1080260713.db2.gz ISSLWFJZVUMIOR-UHFFFAOYSA-N -1 1 370.478 4.013 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)cc3ccoc32)c(F)c1F ZINC001266343658 1080366231 /nfs/dbraw/zinc/36/62/31/1080366231.db2.gz SWEJSTJZUZGZTN-UHFFFAOYSA-N -1 1 351.255 4.444 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(Cl)c1 ZINC000180286398 1080475922 /nfs/dbraw/zinc/47/59/22/1080475922.db2.gz RZIBYZIAHBVGDH-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1C ZINC000078238994 1080486770 /nfs/dbraw/zinc/48/67/70/1080486770.db2.gz ULOWCOUJNGZMFG-UHFFFAOYSA-N -1 1 374.506 4.360 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nc3ccc(F)cc3s2)CC1 ZINC000683351361 1080709139 /nfs/dbraw/zinc/70/91/39/1080709139.db2.gz YTMFAFSMGVYMPD-UHFFFAOYSA-N -1 1 370.449 4.236 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C2CC2)cc1Cl ZINC000655601170 1081006347 /nfs/dbraw/zinc/00/63/47/1081006347.db2.gz GRXUDGFEVOEQFA-UHFFFAOYSA-N -1 1 373.808 4.305 20 0 FIADMM CSc1nsc([N-]C(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 ZINC000127130043 1081144168 /nfs/dbraw/zinc/14/41/68/1081144168.db2.gz HAIARIFGBWXJJR-UHFFFAOYSA-N -1 1 374.472 4.382 20 0 FIADMM CC(C)CN(CCC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000579962143 1081273003 /nfs/dbraw/zinc/27/30/03/1081273003.db2.gz VPYMDPIYJFANSW-UHFFFAOYSA-N -1 1 366.914 4.320 20 0 FIADMM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Br)ccc2Cl)C1 ZINC000234102771 1081402155 /nfs/dbraw/zinc/40/21/55/1081402155.db2.gz LGJPSJDYDACKFE-HNNXBMFYSA-N -1 1 360.679 4.179 20 0 FIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC000683708148 1081419643 /nfs/dbraw/zinc/41/96/43/1081419643.db2.gz QEYSORDQUHBHKG-JTQLQIEISA-N -1 1 359.854 4.048 20 0 FIADMM CC[C@H](C)c1nc(C)c(Cc2nc(-c3ccc([O-])c(F)c3)no2)c(C)n1 ZINC000656013538 1081455334 /nfs/dbraw/zinc/45/53/34/1081455334.db2.gz NYTXSJSRZYHYLW-JTQLQIEISA-N -1 1 356.401 4.092 20 0 FIADMM CCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000471492119 1081472684 /nfs/dbraw/zinc/47/26/84/1081472684.db2.gz IRYWUYRARRNGCB-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC000655344522 1081841112 /nfs/dbraw/zinc/84/11/12/1081841112.db2.gz JSHVCHTZQSBIGG-JTQLQIEISA-N -1 1 361.816 4.388 20 0 FIADMM CCC[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000050207931 1081929988 /nfs/dbraw/zinc/92/99/88/1081929988.db2.gz ZHIDKFAZYXTYAI-INIZCTEOSA-N -1 1 360.479 4.230 20 0 FIADMM O=S(=O)(c1ccc(F)cc1)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211353541 1082156820 /nfs/dbraw/zinc/15/68/20/1082156820.db2.gz XOBDIQRFMOOJCM-UHFFFAOYSA-N -1 1 364.344 4.309 20 0 FIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1Cl ZINC000647134906 1082187868 /nfs/dbraw/zinc/18/78/68/1082187868.db2.gz OLDQNNVRYNXZBH-UHFFFAOYSA-N -1 1 355.891 4.152 20 0 FIADMM O=S(=O)([N-]c1ccc(COCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000525523521 1082258773 /nfs/dbraw/zinc/25/87/73/1082258773.db2.gz HYZXMYDNRFCLHO-UHFFFAOYSA-N -1 1 371.433 4.343 20 0 FIADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 ZINC000581023478 1082280347 /nfs/dbraw/zinc/28/03/47/1082280347.db2.gz OXZDPKRBWWNIOI-UHFFFAOYSA-N -1 1 359.369 4.019 20 0 FIADMM CCc1cc2c(COC(=O)Cc3cccc(Cl)c3)cc(=O)oc2cc1[O-] ZINC000728342039 1082630326 /nfs/dbraw/zinc/63/03/26/1082630326.db2.gz FOYNSSDRSCZYDC-UHFFFAOYSA-N -1 1 372.804 4.000 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000090138972 1082649467 /nfs/dbraw/zinc/64/94/67/1082649467.db2.gz OQLNZQSYNILIOD-UHFFFAOYSA-N -1 1 365.458 4.010 20 0 FIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2ccc(F)cc2)n1 ZINC000097151399 1082757969 /nfs/dbraw/zinc/75/79/69/1082757969.db2.gz OTNGVEMEILFVBD-UHFFFAOYSA-N -1 1 374.344 4.072 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656768686 1082760063 /nfs/dbraw/zinc/76/00/63/1082760063.db2.gz MXSJBDOSSBLIAA-IRXDYDNUSA-N -1 1 372.292 4.400 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1 ZINC000157854711 1082767466 /nfs/dbraw/zinc/76/74/66/1082767466.db2.gz OCMWHFNJFDHSHJ-UHFFFAOYSA-N -1 1 361.410 4.314 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc4sccc4c3)nc2)[n-]c(=O)c1C ZINC000581699153 1082820575 /nfs/dbraw/zinc/82/05/75/1082820575.db2.gz RIXMGTWGMWXUAM-UHFFFAOYSA-N -1 1 362.458 4.110 20 0 FIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cs1 ZINC000327595438 1082925786 /nfs/dbraw/zinc/92/57/86/1082925786.db2.gz IXSFJCULHJQYDN-UHFFFAOYSA-N -1 1 373.411 4.147 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(C(C)C)no3)cc2)c1C ZINC000130424968 1082927103 /nfs/dbraw/zinc/92/71/03/1082927103.db2.gz BRBGZHDOWZWJJK-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM CC/C(C)=C(/C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000780859735 1083280728 /nfs/dbraw/zinc/28/07/28/1083280728.db2.gz AVZANCVLHWHNTP-PFONDFGASA-N -1 1 358.463 4.172 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c1 ZINC000410405265 1083370388 /nfs/dbraw/zinc/37/03/88/1083370388.db2.gz XMYFKJGXSIQZNB-UHFFFAOYSA-N -1 1 360.479 4.291 20 0 FIADMM O=C(c1ncc2ccccc2c1[O-])N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000612128613 1083406428 /nfs/dbraw/zinc/40/64/28/1083406428.db2.gz AGWBZPUFAKZWCN-QZTJIDSGSA-N -1 1 366.461 4.085 20 0 FIADMM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@H]2CCCCO2)cc2nc[nH]c21 ZINC000584480845 1083798564 /nfs/dbraw/zinc/79/85/64/1083798564.db2.gz QFNRJNFQEADQTE-CQSZACIVSA-N -1 1 370.380 4.015 20 0 FIADMM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cc(C(F)(F)F)ccn1 ZINC000588482633 1083898337 /nfs/dbraw/zinc/89/83/37/1083898337.db2.gz VQOORALCARGVPR-ALCCZGGFSA-N -1 1 362.760 4.166 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cccc1-c1ncco1 ZINC000427352516 1083964349 /nfs/dbraw/zinc/96/43/49/1083964349.db2.gz PMIFUFOGWWIVNO-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM Cc1ccsc1CCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000130278723 1084053623 /nfs/dbraw/zinc/05/36/23/1084053623.db2.gz PRWXNWPQCJMBRR-UHFFFAOYSA-N -1 1 371.502 4.206 20 0 FIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1c(Cl)cccc1Cl ZINC000511381912 1084100266 /nfs/dbraw/zinc/10/02/66/1084100266.db2.gz KQZUGTLWFZMTHR-UHFFFAOYSA-N -1 1 362.200 4.004 20 0 FIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000472028730 1084107768 /nfs/dbraw/zinc/10/77/68/1084107768.db2.gz GHZBCXBIFPWMSQ-LBPRGKRZSA-N -1 1 357.435 4.456 20 0 FIADMM COc1ccccc1-c1ccc(CN=c2[n-]ncn2Cc2ccccc2)cc1 ZINC000548616482 1084309946 /nfs/dbraw/zinc/30/99/46/1084309946.db2.gz JEJKZLKYVGLSFR-UHFFFAOYSA-N -1 1 370.456 4.036 20 0 FIADMM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)c2nccn21 ZINC000843601678 1084312892 /nfs/dbraw/zinc/31/28/92/1084312892.db2.gz JLKYPPDKZGPYPQ-GZMMTYOYSA-N -1 1 360.191 4.104 20 0 FIADMM Cc1nc2c(cccc2C(=O)Nc2cc(C)cc(Br)c2[O-])o1 ZINC000472500194 1084339732 /nfs/dbraw/zinc/33/97/32/1084339732.db2.gz LTXJRGJZTLERIQ-UHFFFAOYSA-N -1 1 361.195 4.165 20 0 FIADMM CC[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000121761262 1084490920 /nfs/dbraw/zinc/49/09/20/1084490920.db2.gz CDVFPAILDOCZGH-STQMWFEESA-N -1 1 364.540 4.144 20 0 FIADMM CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000072085183 1084654794 /nfs/dbraw/zinc/65/47/94/1084654794.db2.gz LFRDRGNEKDCKFB-UHFFFAOYSA-N -1 1 374.506 4.479 20 0 FIADMM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cncc([O-])c1 ZINC000559575912 1084723284 /nfs/dbraw/zinc/72/32/84/1084723284.db2.gz SIEKXYATTRZKCA-ZHRRBRCNSA-N -1 1 358.441 4.006 20 0 FIADMM CC(C)n1c(CNC(=O)CCCc2ccc(C(C)(C)C)cc2)n[n-]c1=S ZINC000066640746 1084830403 /nfs/dbraw/zinc/83/04/03/1084830403.db2.gz CPMAYDCIZHFFDV-UHFFFAOYSA-N -1 1 374.554 4.458 20 0 FIADMM CC(C)n1c(CNC(=O)CCc2ccc(C(C)(C)C)cc2)n[n-]c1=S ZINC000066639528 1084836096 /nfs/dbraw/zinc/83/60/96/1084836096.db2.gz ZXXHKWLIZPEZRO-UHFFFAOYSA-N -1 1 360.527 4.068 20 0 FIADMM CCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)s1 ZINC000121783098 1084840221 /nfs/dbraw/zinc/84/02/21/1084840221.db2.gz ZTPJXRURWZBWTE-IUODEOHRSA-N -1 1 355.463 4.180 20 0 FIADMM O=C(C[C@H](O)c1ccc(Cl)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000180218959 1084910692 /nfs/dbraw/zinc/91/06/92/1084910692.db2.gz KBALMRRRVQKQSN-HNNXBMFYSA-N -1 1 373.758 4.030 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000684857702 1084963400 /nfs/dbraw/zinc/96/34/00/1084963400.db2.gz LBDJXMSQNVEXDA-MISYRCLQSA-N -1 1 353.462 4.091 20 0 FIADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870233 1084996057 /nfs/dbraw/zinc/99/60/57/1084996057.db2.gz UPNZIABWQKLWPD-UHFFFAOYSA-N -1 1 366.364 4.293 20 0 FIADMM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872342 1085004641 /nfs/dbraw/zinc/00/46/41/1085004641.db2.gz CDELMECQIFNCRH-UHFFFAOYSA-N -1 1 353.340 4.082 20 0 FIADMM O=C(N[C@H]1CCCOc2ccccc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872485 1085005547 /nfs/dbraw/zinc/00/55/47/1085005547.db2.gz LRMSXVKULZZBQC-AWEZNQCLSA-N -1 1 351.324 4.055 20 0 FIADMM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873577 1085006700 /nfs/dbraw/zinc/00/67/00/1085006700.db2.gz WUCVTBYRFYCDCW-UHFFFAOYSA-N -1 1 353.315 4.012 20 0 FIADMM Cc1cnc([C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C2CC2)s1 ZINC000684876564 1085018293 /nfs/dbraw/zinc/01/82/93/1085018293.db2.gz XNZNAYHQRJRAJJ-CYBMUJFWSA-N -1 1 356.369 4.057 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccc(C(F)F)c1 ZINC000780365635 1085321050 /nfs/dbraw/zinc/32/10/50/1085321050.db2.gz NNWGMUSZDDVIBZ-UHFFFAOYSA-N -1 1 367.295 4.324 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(Cl)nc1Cl ZINC000176726280 1085370574 /nfs/dbraw/zinc/37/05/74/1085370574.db2.gz LATONGGNXGPCNE-UHFFFAOYSA-N -1 1 373.595 4.121 20 0 FIADMM Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(C)(C)C(=O)[O-])C3)cs2)cc1 ZINC000327083224 1085649908 /nfs/dbraw/zinc/64/99/08/1085649908.db2.gz TXYLTDPHZSVETI-INIZCTEOSA-N -1 1 358.507 4.441 20 0 FIADMM CC[C@H](CSC)N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000566363686 1085774572 /nfs/dbraw/zinc/77/45/72/1085774572.db2.gz RSRGVSSUHNNDPR-OAHLLOKOSA-N -1 1 350.509 4.082 20 0 FIADMM CCCOc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C)c1 ZINC000582849334 1085824761 /nfs/dbraw/zinc/82/47/61/1085824761.db2.gz SHDFZWCOJNOQFY-UHFFFAOYSA-N -1 1 357.454 4.138 20 0 FIADMM O=C([O-])c1cccc2c1CN(CCc1cc(Cl)ccc1Cl)CC2 ZINC000652487584 1086115369 /nfs/dbraw/zinc/11/53/69/1086115369.db2.gz KMNZWCSBLCHINW-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM C[C@H]1CN(Cc2nc(-c3ccccc3Cl)cs2)CC[C@H]1C(=O)[O-] ZINC000652496876 1086121209 /nfs/dbraw/zinc/12/12/09/1086121209.db2.gz FWUYVGRLFBCMAQ-NWDGAFQWSA-N -1 1 350.871 4.006 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(C(C)C)c2)c1OC ZINC000663260395 1086339564 /nfs/dbraw/zinc/33/95/64/1086339564.db2.gz SQTBXRPQIGRISV-SFHVURJKSA-N -1 1 357.450 4.133 20 0 FIADMM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(F)c([O-])c1 ZINC001625878450 1086388065 /nfs/dbraw/zinc/38/80/65/1086388065.db2.gz QFTQXPVWQJTZKF-UHFFFAOYSA-N -1 1 361.266 4.254 20 0 FIADMM O=C([N-][C@@H](c1nccs1)c1ccccc1)C(F)(F)c1ccc(F)cc1 ZINC000728849368 1086399960 /nfs/dbraw/zinc/39/99/60/1086399960.db2.gz GTELRLQVGVFCGD-OAHLLOKOSA-N -1 1 362.376 4.280 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780379108 1086404024 /nfs/dbraw/zinc/40/40/24/1086404024.db2.gz DEHGZUNWRYFQDC-UHFFFAOYSA-N -1 1 355.406 4.350 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCC[C@@H](F)C1 ZINC000565022534 1086517707 /nfs/dbraw/zinc/51/77/07/1086517707.db2.gz GGFJKYZPFORPOL-IONNQARKSA-N -1 1 350.615 4.275 20 0 FIADMM COCc1nc2cc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2o1 ZINC000432383133 1086704974 /nfs/dbraw/zinc/70/49/74/1086704974.db2.gz YBQGLDIPHNHLDA-UHFFFAOYSA-N -1 1 374.462 4.009 20 0 FIADMM [O-]c1cnc(Cl)c(-c2nc(-c3cccc(F)c3Br)no2)c1 ZINC001213697694 1086715085 /nfs/dbraw/zinc/71/50/85/1086715085.db2.gz DISIFFDDEFFNQJ-UHFFFAOYSA-N -1 1 370.565 4.059 20 0 FIADMM COc1ccc(C(C)=O)c(Nc2cc(F)c([O-])c(F)c2)c1Br ZINC001213386753 1086717422 /nfs/dbraw/zinc/71/74/22/1086717422.db2.gz SYWGTPNPAOTDDX-UHFFFAOYSA-N -1 1 372.165 4.388 20 0 FIADMM CSc1ccc(C)c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000637266331 1086885448 /nfs/dbraw/zinc/88/54/48/1086885448.db2.gz JHLOIBKCHVINIE-UHFFFAOYSA-N -1 1 369.486 4.158 20 0 FIADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC001307332380 1086936736 /nfs/dbraw/zinc/93/67/36/1086936736.db2.gz VFCBNOROFZFQGO-UHFFFAOYSA-N -1 1 350.749 4.161 20 0 FIADMM COc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc(Cl)c1[O-] ZINC000545175104 1086957848 /nfs/dbraw/zinc/95/78/48/1086957848.db2.gz VEBIYEQUXJPSKC-ZDUSSCGKSA-N -1 1 367.829 4.160 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)c(F)cc2Cl)c(F)c1F ZINC000536139837 1086985840 /nfs/dbraw/zinc/98/58/40/1086985840.db2.gz IHFJLJLTJZUPNH-UHFFFAOYSA-N -1 1 363.669 4.490 20 0 FIADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000168222651 1086999198 /nfs/dbraw/zinc/99/91/98/1086999198.db2.gz IZGLLTFUTUFOQJ-CYBMUJFWSA-N -1 1 360.679 4.322 20 0 FIADMM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000431544746 1087230138 /nfs/dbraw/zinc/23/01/38/1087230138.db2.gz LQHKKICXTORZJV-UHFFFAOYSA-N -1 1 351.406 4.212 20 0 FIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000052939772 1087249561 /nfs/dbraw/zinc/24/95/61/1087249561.db2.gz FVLXCPMKVBFXDQ-UHFFFAOYSA-N -1 1 366.461 4.027 20 0 FIADMM C[C@@H]1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C(=O)[O-] ZINC000584291624 1087250384 /nfs/dbraw/zinc/25/03/84/1087250384.db2.gz ZEEHAKQMIJNKOU-IAQYHMDHSA-N -1 1 350.871 4.006 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC([C@@H]2CCCO2)CC1 ZINC000584356243 1087279592 /nfs/dbraw/zinc/27/95/92/1087279592.db2.gz FJRJFMHQFWWKEC-HOTGVXAUSA-N -1 1 358.265 4.010 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000172803750 1087437967 /nfs/dbraw/zinc/43/79/67/1087437967.db2.gz PZKRILPJVXHEGI-GOSISDBHSA-N -1 1 361.441 4.224 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(C)s1 ZINC000144984297 1087493567 /nfs/dbraw/zinc/49/35/67/1087493567.db2.gz JFVHCBXJERKSAK-UHFFFAOYSA-N -1 1 351.493 4.092 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@@H]1c1ccccc1 ZINC000198642101 1087513473 /nfs/dbraw/zinc/51/34/73/1087513473.db2.gz DYXQWUJJAVPBMA-CQSZACIVSA-N -1 1 370.503 4.033 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3Cc4ccc(F)cc43)n2)cc(Cl)c1[O-] ZINC000685364057 1087546296 /nfs/dbraw/zinc/54/62/96/1087546296.db2.gz JGEMQBDTWBEUJP-CYBMUJFWSA-N -1 1 360.772 4.321 20 0 FIADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1cccc(Cl)c1F ZINC000685471653 1087579229 /nfs/dbraw/zinc/57/92/29/1087579229.db2.gz YHYBCIKOGLYPNE-UHFFFAOYSA-N -1 1 357.759 4.171 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000033928555 1087609604 /nfs/dbraw/zinc/60/96/04/1087609604.db2.gz NIWNQLYBBGWDOW-UHFFFAOYSA-N -1 1 359.369 4.293 20 0 FIADMM O=C([O-])CC[C@H]1CCCCN1Cc1csc(CCc2ccccc2)n1 ZINC000424256710 1087875379 /nfs/dbraw/zinc/87/53/79/1087875379.db2.gz JMKWDPKXQBLPLN-GOSISDBHSA-N -1 1 358.507 4.148 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(OC)c3ncccc23)cc(Cl)c1[O-] ZINC000186688502 1087963306 /nfs/dbraw/zinc/96/33/06/1087963306.db2.gz KAOBDTSWSAYWCE-UHFFFAOYSA-N -1 1 372.808 4.253 20 0 FIADMM C[C@H]1CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424419323 1087971646 /nfs/dbraw/zinc/97/16/46/1087971646.db2.gz OGFJRNIAYZAGRF-ZANVPECISA-N -1 1 369.305 4.409 20 0 FIADMM CCOc1cc(C(=O)Nc2ccccc2OCC2CC2)cc(Cl)c1[O-] ZINC000186830540 1087999716 /nfs/dbraw/zinc/99/97/16/1087999716.db2.gz MCIDIRKADCYOBE-UHFFFAOYSA-N -1 1 361.825 4.485 20 0 FIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000505323891 1088338512 /nfs/dbraw/zinc/33/85/12/1088338512.db2.gz ZVDHWRMMKIDSAY-UHFFFAOYSA-N -1 1 362.451 4.287 20 0 FIADMM O=C([O-])CCOc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000513870582 1088498295 /nfs/dbraw/zinc/49/82/95/1088498295.db2.gz BZYUCWGNNACAJO-UHFFFAOYSA-N -1 1 350.296 4.102 20 0 FIADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180338732 1088771541 /nfs/dbraw/zinc/77/15/41/1088771541.db2.gz ZULSIKVJARZBSG-UHFFFAOYSA-N -1 1 366.364 4.293 20 0 FIADMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180662673 1088779529 /nfs/dbraw/zinc/77/95/29/1088779529.db2.gz RLIPUZKHMAOJIG-UHFFFAOYSA-N -1 1 370.396 4.019 20 0 FIADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])CCC2 ZINC000182036236 1088890055 /nfs/dbraw/zinc/89/00/55/1088890055.db2.gz SSJWOHWPBJECGT-CYBMUJFWSA-N -1 1 370.396 4.326 20 0 FIADMM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001143491608 1089208325 /nfs/dbraw/zinc/20/83/25/1089208325.db2.gz PXIWAODMQRVHLK-SFHVURJKSA-N -1 1 367.493 4.323 20 0 FIADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000613666806 1089261188 /nfs/dbraw/zinc/26/11/88/1089261188.db2.gz GVPYTOKUMZZZHJ-MLGOLLRUSA-N -1 1 351.406 4.070 20 0 FIADMM O=C(CCCc1ccc(Cl)cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668482 1089265898 /nfs/dbraw/zinc/26/58/98/1089265898.db2.gz WYONLVMYEHNAML-UHFFFAOYSA-N -1 1 355.825 4.397 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000613668447 1089265975 /nfs/dbraw/zinc/26/59/75/1089265975.db2.gz ULVYWRNAKDXPTF-NWDGAFQWSA-N -1 1 353.344 4.090 20 0 FIADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613668267 1089271334 /nfs/dbraw/zinc/27/13/34/1089271334.db2.gz BQQCRADXFWYNGJ-GFCCVEGCSA-N -1 1 371.824 4.150 20 0 FIADMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435445696 1089668455 /nfs/dbraw/zinc/66/84/55/1089668455.db2.gz GKUQDKDDOXDTPJ-VHSXEESVSA-N -1 1 372.314 4.085 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c(Cl)cc(F)cc1Cl ZINC000435484619 1089699875 /nfs/dbraw/zinc/69/98/75/1089699875.db2.gz XJACVGVFDYJDFI-UHFFFAOYSA-N -1 1 374.142 4.351 20 0 FIADMM Cc1nc(-c2ccc(NC3CCC4(CC4(F)F)CC3)nc2)[n-]c(=O)c1C ZINC000664494714 1089809192 /nfs/dbraw/zinc/80/91/92/1089809192.db2.gz JNRRSGGFIQGDNJ-UHFFFAOYSA-N -1 1 360.408 4.241 20 0 FIADMM CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013265190 1089864910 /nfs/dbraw/zinc/86/49/10/1089864910.db2.gz JKLAVCRUKMIJOF-UHFFFAOYSA-N -1 1 374.245 4.055 20 0 FIADMM O=S(=O)([N-]c1cccc2ncccc12)c1cccc(C(F)(F)F)c1 ZINC000102431848 1089919006 /nfs/dbraw/zinc/91/90/06/1089919006.db2.gz KWAWBZDBLQPUIM-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(OCC2CC2)CC1 ZINC000515305639 1089946686 /nfs/dbraw/zinc/94/66/86/1089946686.db2.gz DDWBZGDTMQIZGR-INIZCTEOSA-N -1 1 358.265 4.010 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3coc(C(C)(C)C)n3)n2)cc1 ZINC001126438721 1089992603 /nfs/dbraw/zinc/99/26/03/1089992603.db2.gz SOQFORHGACINAQ-UHFFFAOYSA-N -1 1 374.491 4.465 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cnc(-c2ccncc2)s1 ZINC000182115543 1090053543 /nfs/dbraw/zinc/05/35/43/1090053543.db2.gz CDEWMIVRSMIWKR-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188120458 1090175796 /nfs/dbraw/zinc/17/57/96/1090175796.db2.gz PRWRCAWBVKZVEZ-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccccc1C(F)(F)F ZINC000180278490 1090182649 /nfs/dbraw/zinc/18/26/49/1090182649.db2.gz ORAMJUCFTSHSCL-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1Cl ZINC000228315370 1090328607 /nfs/dbraw/zinc/32/86/07/1090328607.db2.gz KFPPNAZZMNFYNA-SECBINFHSA-N -1 1 354.631 4.299 20 0 FIADMM COc1cc(C)nc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000467203574 1090428213 /nfs/dbraw/zinc/42/82/13/1090428213.db2.gz AIWNGSSLNHLWRM-UHFFFAOYSA-N -1 1 353.447 4.162 20 0 FIADMM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(-c2ccccc2F)s1)C(=O)[O-] ZINC000417581797 1090931857 /nfs/dbraw/zinc/93/18/57/1090931857.db2.gz GRIWURMRMHMIKQ-PXAZEXFGSA-N -1 1 365.470 4.301 20 0 FIADMM CC(C)(C)c1ncc(CN[C@@H](Cc2cccc3ccccc32)C(=O)[O-])s1 ZINC000417583383 1090932400 /nfs/dbraw/zinc/93/24/00/1090932400.db2.gz KESXQLGINCPFAV-SFHVURJKSA-N -1 1 368.502 4.379 20 0 FIADMM CCOc1cccc2cc([C@@H](C)NC(=O)c3c(F)ccc([O-])c3F)oc21 ZINC000584831690 1090932548 /nfs/dbraw/zinc/93/25/48/1090932548.db2.gz LNIGOVRWMNGEMB-SNVBAGLBSA-N -1 1 361.344 4.306 20 0 FIADMM O=C([O-])[C@H](CC1CCC1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000417708277 1090966775 /nfs/dbraw/zinc/96/67/75/1090966775.db2.gz RQMCTQCWDKCKFX-HNNXBMFYSA-N -1 1 356.447 4.289 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000092603935 1091026939 /nfs/dbraw/zinc/02/69/39/1091026939.db2.gz XMNQEHXHKMZKED-WMLDXEAASA-N -1 1 363.841 4.147 20 0 FIADMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000194576665 1091393070 /nfs/dbraw/zinc/39/30/70/1091393070.db2.gz PZIRUNXKBCTIIE-UHFFFAOYSA-N -1 1 367.814 4.102 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCC(C)C)c1 ZINC000036661583 1091412018 /nfs/dbraw/zinc/41/20/18/1091412018.db2.gz CFKBLPPSZIMPOU-HNNXBMFYSA-N -1 1 360.527 4.247 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000511686250 1091540797 /nfs/dbraw/zinc/54/07/97/1091540797.db2.gz FLSNEVSFADJOLI-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000511727093 1091566703 /nfs/dbraw/zinc/56/67/03/1091566703.db2.gz NEIJFDAMTSYRNG-LBPRGKRZSA-N -1 1 369.870 4.327 20 0 FIADMM CCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000468798427 1091650075 /nfs/dbraw/zinc/65/00/75/1091650075.db2.gz CIRQXALTDUJYEX-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM Cc1cc(Br)cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000391272757 1091868334 /nfs/dbraw/zinc/86/83/34/1091868334.db2.gz YJMLJJVJIQJLOJ-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM Cc1ccc(C[C@H]2CCCN(Cc3nc(=O)c4sccc4[n-]3)C2)cc1 ZINC000051064252 1091954747 /nfs/dbraw/zinc/95/47/47/1091954747.db2.gz WYJMJAAMTFCIFM-MRXNPFEDSA-N -1 1 353.491 4.160 20 0 FIADMM CCCC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000500533168 1092199477 /nfs/dbraw/zinc/19/94/77/1092199477.db2.gz NLMWFWHJSSZHDC-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C(=O)[O-])cc1F ZINC000521056001 1092452103 /nfs/dbraw/zinc/45/21/03/1092452103.db2.gz LPMWTQXNDGZGGV-UHFFFAOYSA-N -1 1 371.330 4.054 20 0 FIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442229480 1092500495 /nfs/dbraw/zinc/50/04/95/1092500495.db2.gz MVXDLXWVLKWYEL-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccccc1C(F)(F)F ZINC000442245519 1092520151 /nfs/dbraw/zinc/52/01/51/1092520151.db2.gz XPCUMIVYJDQMRU-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)cc1F ZINC000521236761 1092596226 /nfs/dbraw/zinc/59/62/26/1092596226.db2.gz DXQKNSWYTUCUSZ-UHFFFAOYSA-N -1 1 367.442 4.060 20 0 FIADMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2c1C ZINC000473398483 1092795383 /nfs/dbraw/zinc/79/53/83/1092795383.db2.gz IUUGKSLAJNEFNO-UHFFFAOYSA-N -1 1 373.430 4.027 20 0 FIADMM COc1cc(C(=O)N2CCC(c3ccccc3C)CC2)cc(Cl)c1[O-] ZINC000442954725 1092873033 /nfs/dbraw/zinc/87/30/33/1092873033.db2.gz HEOQYYSNRXQDHP-UHFFFAOYSA-N -1 1 359.853 4.382 20 0 FIADMM CC(=O)c1csc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)c1 ZINC000110381680 1092873131 /nfs/dbraw/zinc/87/31/31/1092873131.db2.gz UCRXLWMIAVCNAG-UHFFFAOYSA-N -1 1 363.851 4.375 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000442945006 1092878937 /nfs/dbraw/zinc/87/89/37/1092878937.db2.gz PFUWIGVHIRTUIF-GDBMZVCRSA-N -1 1 359.853 4.195 20 0 FIADMM COc1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000442944857 1092879324 /nfs/dbraw/zinc/87/93/24/1092879324.db2.gz NJCJYODAJYWEPE-MRXNPFEDSA-N -1 1 359.853 4.292 20 0 FIADMM COc1cc(C(=O)NC(C)(C)Cc2ccccc2Cl)cc(Cl)c1[O-] ZINC000442966766 1092894109 /nfs/dbraw/zinc/89/41/09/1092894109.db2.gz NLLHGMUBHBOBRJ-UHFFFAOYSA-N -1 1 368.260 4.459 20 0 FIADMM COc1cc(C(=O)Nc2sc(C)nc2CC(C)C)cc(Cl)c1[O-] ZINC000443076447 1092934854 /nfs/dbraw/zinc/93/48/54/1092934854.db2.gz SCPNPIUBASGJDU-UHFFFAOYSA-N -1 1 354.859 4.270 20 0 FIADMM COc1cc(-c2nc(-c3cccc4cnccc43)no2)cc(Cl)c1[O-] ZINC000443213394 1092985779 /nfs/dbraw/zinc/98/57/79/1092985779.db2.gz JWZPUVPCNYBMFI-UHFFFAOYSA-N -1 1 353.765 4.319 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000652849800 1093038897 /nfs/dbraw/zinc/03/88/97/1093038897.db2.gz MLEVCVRXRQYQGK-MRXNPFEDSA-N -1 1 367.392 4.341 20 0 FIADMM COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc(Cl)c1[O-] ZINC000443303052 1093041403 /nfs/dbraw/zinc/04/14/03/1093041403.db2.gz QTHKYVIFFLAMNR-GXSJLCMTSA-N -1 1 365.779 4.153 20 0 FIADMM COc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc(Cl)c1[O-] ZINC000443338329 1093062433 /nfs/dbraw/zinc/06/24/33/1093062433.db2.gz ZGIATSAUXNWVPW-CYBMUJFWSA-N -1 1 373.758 4.478 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4[nH]ccc4c3)c2)n1 ZINC000443410027 1093101604 /nfs/dbraw/zinc/10/16/04/1093101604.db2.gz YYZNJLVJXWFXGG-UHFFFAOYSA-N -1 1 369.471 4.401 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)n1 ZINC000443397301 1093102404 /nfs/dbraw/zinc/10/24/04/1093102404.db2.gz DQHRKKLMSMFYPO-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)c1 ZINC000443405122 1093107241 /nfs/dbraw/zinc/10/72/41/1093107241.db2.gz VTJXTKFBYDNXJV-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM O=C(Nc1ccccc1OCCn1ccnc1)c1cc2ccccc2cc1[O-] ZINC000094038197 1093279786 /nfs/dbraw/zinc/27/97/86/1093279786.db2.gz SDRANTWXQYGWTJ-UHFFFAOYSA-N -1 1 373.412 4.073 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000512835297 1093438246 /nfs/dbraw/zinc/43/82/46/1093438246.db2.gz SUTRUGKXHNOBAY-UHFFFAOYSA-N -1 1 352.415 4.331 20 0 FIADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc3ccccc3o2)[nH][n-]1 ZINC000512857648 1093457230 /nfs/dbraw/zinc/45/72/30/1093457230.db2.gz WHJAOOSCTKPCHO-UHFFFAOYSA-N -1 1 367.792 4.159 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H](c1ccncc1)C1CCCC1 ZINC000895707278 1093677716 /nfs/dbraw/zinc/67/77/16/1093677716.db2.gz PRTFRVSZGRLSEU-HXUWFJFHSA-N -1 1 362.433 4.090 20 0 FIADMM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000248231092 1093720041 /nfs/dbraw/zinc/72/00/41/1093720041.db2.gz ALPMFRGANMJHFP-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cccc(Cl)c1Cl ZINC000474421644 1093752682 /nfs/dbraw/zinc/75/26/82/1093752682.db2.gz NZPBPSRAUVWVBH-UHFFFAOYSA-N -1 1 360.266 4.175 20 0 FIADMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000115073853 1093760324 /nfs/dbraw/zinc/76/03/24/1093760324.db2.gz IUJXCDLLWCSIOV-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000097126401 1093799071 /nfs/dbraw/zinc/79/90/71/1093799071.db2.gz FIHSXONUEIVNID-UHFFFAOYSA-N -1 1 371.440 4.442 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccccc3C)cs2)c1 ZINC000097375566 1093852169 /nfs/dbraw/zinc/85/21/69/1093852169.db2.gz JDAPFNGHMYUHED-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM CC[C@@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000729025209 1093920033 /nfs/dbraw/zinc/92/00/33/1093920033.db2.gz WUTLIERNWVVXKV-AWEZNQCLSA-N -1 1 352.386 4.126 20 0 FIADMM O=[P@]([O-])(O)C1(Nc2ccc(-c3cccs3)cc2)Cc2ccccc2C1 ZINC001167935928 1093935792 /nfs/dbraw/zinc/93/57/92/1093935792.db2.gz FSSLRHHKIUVLIQ-UHFFFAOYSA-N -1 1 371.398 4.500 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000433598649 1094009200 /nfs/dbraw/zinc/00/92/00/1094009200.db2.gz HCVGLQZADLRHLS-UHFFFAOYSA-N -1 1 358.246 4.387 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000433613646 1094022792 /nfs/dbraw/zinc/02/27/92/1094022792.db2.gz ADJZUKGETASTMN-UHFFFAOYSA-N -1 1 371.462 4.011 20 0 FIADMM CCOc1cc(C(=O)NCC(C)(C)c2cccc(F)c2)cc(Cl)c1[O-] ZINC000545854115 1094328389 /nfs/dbraw/zinc/32/83/89/1094328389.db2.gz OLCSKUUUXVCWIW-UHFFFAOYSA-N -1 1 365.832 4.291 20 0 FIADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])s1 ZINC000896225040 1094475537 /nfs/dbraw/zinc/47/55/37/1094475537.db2.gz UTNVQDADQJASPL-NSHDSACASA-N -1 1 356.447 4.158 20 0 FIADMM CCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1cccc(Cl)c1 ZINC000192133421 1095029205 /nfs/dbraw/zinc/02/92/05/1095029205.db2.gz NATVCLCQDHFFHO-UHFFFAOYSA-N -1 1 359.788 4.185 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000501981407 1095033088 /nfs/dbraw/zinc/03/30/88/1095033088.db2.gz DENHXLCWKNYVGT-MRXNPFEDSA-N -1 1 365.260 4.302 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000501981407 1095033104 /nfs/dbraw/zinc/03/31/04/1095033104.db2.gz DENHXLCWKNYVGT-MRXNPFEDSA-N -1 1 365.260 4.302 20 0 FIADMM CC[C@@H](c1ccncc1)N(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000281061520 1095481472 /nfs/dbraw/zinc/48/14/72/1095481472.db2.gz RYBKRMWFNUJROV-INIZCTEOSA-N -1 1 358.825 4.130 20 0 FIADMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)c([O-])c1 ZINC001143557586 1095672017 /nfs/dbraw/zinc/67/20/17/1095672017.db2.gz BWWHGPCWDJOPJK-UHFFFAOYSA-N -1 1 353.315 4.012 20 0 FIADMM Cn1c2ccccc2nc1-c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000522821151 1095741519 /nfs/dbraw/zinc/74/15/19/1095741519.db2.gz GXNNPXXIVQLZBZ-UHFFFAOYSA-N -1 1 363.442 4.041 20 0 FIADMM CN(Cc1cccc(Br)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000042354397 1095954133 /nfs/dbraw/zinc/95/41/33/1095954133.db2.gz PUGMBIBPBBFGAE-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc(Cc2cccc(F)c2)n1 ZINC000502922349 1095968495 /nfs/dbraw/zinc/96/84/95/1095968495.db2.gz ZDUXANVSPUUKLB-UHFFFAOYSA-N -1 1 362.813 4.484 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000421942224 1096001649 /nfs/dbraw/zinc/00/16/49/1096001649.db2.gz ODUGKRNHLBRFJX-JTQLQIEISA-N -1 1 365.779 4.249 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2(C)C)cc(Cl)c1[O-] ZINC000422061557 1096060910 /nfs/dbraw/zinc/06/09/10/1096060910.db2.gz FQHTYAYFCPKZAV-HNNXBMFYSA-N -1 1 359.853 4.463 20 0 FIADMM CCC[C@H](C(=O)Nc1cc(C)cc(Br)c1[O-])c1ccccn1 ZINC000503861019 1096570279 /nfs/dbraw/zinc/57/02/79/1096570279.db2.gz XOVCJBSWIFNKGN-LBPRGKRZSA-N -1 1 363.255 4.381 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504054952 1096648821 /nfs/dbraw/zinc/64/88/21/1096648821.db2.gz CNURFCFRMYAVGI-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CC(=O)c1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)s1 ZINC000504502870 1096791896 /nfs/dbraw/zinc/79/18/96/1096791896.db2.gz NMBJIJXFJCQGRZ-UHFFFAOYSA-N -1 1 367.199 4.168 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)n1 ZINC000436208783 1098816357 /nfs/dbraw/zinc/81/63/57/1098816357.db2.gz JWYPYOJBCISETD-ZDUSSCGKSA-N -1 1 373.261 4.058 20 0 FIADMM CC(=O)[C@H](Cc1cccc(Cl)c1F)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000436256641 1098870513 /nfs/dbraw/zinc/87/05/13/1098870513.db2.gz ASFZRANISWHNDJ-AWEZNQCLSA-N -1 1 366.845 4.145 20 0 FIADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533340936 1098974532 /nfs/dbraw/zinc/97/45/32/1098974532.db2.gz FGSKUXIBEABCDX-ZBEGNZNMSA-N -1 1 350.340 4.029 20 0 FIADMM O=C([O-])c1ccc(F)c2c1CN(CCSc1ccc(Cl)cc1)CC2 ZINC000629368554 1099034321 /nfs/dbraw/zinc/03/43/21/1099034321.db2.gz ZMTXBQCIHUIJPC-UHFFFAOYSA-N -1 1 365.857 4.328 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c1 ZINC000533448973 1099057877 /nfs/dbraw/zinc/05/78/77/1099057877.db2.gz KBOMKYICCKXHBU-UHFFFAOYSA-N -1 1 372.446 4.345 20 0 FIADMM O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccc([O-])cc1F ZINC000436511082 1099072286 /nfs/dbraw/zinc/07/22/86/1099072286.db2.gz KCDQMIMPOKTLHY-UHFFFAOYSA-N -1 1 351.377 4.405 20 0 FIADMM C[C@H](CNC(=O)c1ccc2ccccc2c1[O-])c1nc(-c2ccccc2)no1 ZINC000436531198 1099087693 /nfs/dbraw/zinc/08/76/93/1099087693.db2.gz VVVPFLWXRAXDCJ-CQSZACIVSA-N -1 1 373.412 4.129 20 0 FIADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000436545219 1099093011 /nfs/dbraw/zinc/09/30/11/1099093011.db2.gz LOEWIDFZRAOKFG-LJQANCHMSA-N -1 1 360.457 4.286 20 0 FIADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000436547043 1099095741 /nfs/dbraw/zinc/09/57/41/1099095741.db2.gz PWAXEXBQMGXGHX-FQEVSTJZSA-N -1 1 360.457 4.286 20 0 FIADMM CN(CCc1ccc(Br)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436553475 1099100206 /nfs/dbraw/zinc/10/02/06/1099100206.db2.gz GUVVAWZFXGQBQI-UHFFFAOYSA-N -1 1 368.658 4.123 20 0 FIADMM COc1cccc(C2=CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1 ZINC000436538355 1099103805 /nfs/dbraw/zinc/10/38/05/1099103805.db2.gz ICMMZHOJLDPRGT-UHFFFAOYSA-N -1 1 359.425 4.484 20 0 FIADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436539755 1099104594 /nfs/dbraw/zinc/10/45/94/1099104594.db2.gz MNLWJMNRQLIQLR-FQEVSTJZSA-N -1 1 371.440 4.409 20 0 FIADMM CCc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2)o1 ZINC000436576748 1099111538 /nfs/dbraw/zinc/11/15/38/1099111538.db2.gz RTXLMGYBZNJTGP-UHFFFAOYSA-N -1 1 359.385 4.410 20 0 FIADMM CCc1c(NC(=O)c2ccc(OC)cc2[O-])cnn1-c1cccc(Cl)c1 ZINC000436594724 1099127384 /nfs/dbraw/zinc/12/73/84/1099127384.db2.gz JSMRNCNORLCSCP-UHFFFAOYSA-N -1 1 371.824 4.055 20 0 FIADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436583653 1099131791 /nfs/dbraw/zinc/13/17/91/1099131791.db2.gz DXLAZTZBFNBRMA-WFASDCNBSA-N -1 1 360.251 4.173 20 0 FIADMM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000436582186 1099132585 /nfs/dbraw/zinc/13/25/85/1099132585.db2.gz ALQYJTSBNSFGSL-AWEZNQCLSA-N -1 1 361.825 4.296 20 0 FIADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436590082 1099137409 /nfs/dbraw/zinc/13/74/09/1099137409.db2.gz LXYGHTGYUUVEOL-OAHLLOKOSA-N -1 1 362.267 4.248 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000436609449 1099143415 /nfs/dbraw/zinc/14/34/15/1099143415.db2.gz LNPZETJDBRGYMC-FSSWDIPSSA-N -1 1 373.452 4.190 20 0 FIADMM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436629209 1099158554 /nfs/dbraw/zinc/15/85/54/1099158554.db2.gz ISEXRXPQUSTYMH-UHFFFAOYSA-N -1 1 351.406 4.014 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436660689 1099208317 /nfs/dbraw/zinc/20/83/17/1099208317.db2.gz ARKDMTYQPZIORR-QGZVFWFLSA-N -1 1 371.305 4.261 20 0 FIADMM COc1cccc([C@H]2CCCN2C(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436680609 1099214116 /nfs/dbraw/zinc/21/41/16/1099214116.db2.gz OCDFAZYZFYKITI-MRXNPFEDSA-N -1 1 361.825 4.040 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000436682846 1099216544 /nfs/dbraw/zinc/21/65/44/1099216544.db2.gz RJSDOGUZEKZRLG-FQEVSTJZSA-N -1 1 367.832 4.413 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCN(c2ccccc2F)CC1 ZINC000436697743 1099231289 /nfs/dbraw/zinc/23/12/89/1099231289.db2.gz KUHCCCQIUOAYCC-UHFFFAOYSA-N -1 1 364.420 4.037 20 0 FIADMM O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436699821 1099232774 /nfs/dbraw/zinc/23/27/74/1099232774.db2.gz WAWLSPOPBFTEGJ-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM O=C(c1ccc(O)cc1[O-])N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000436701092 1099234665 /nfs/dbraw/zinc/23/46/65/1099234665.db2.gz YWBYCRKVYQUOFE-UHFFFAOYSA-N -1 1 351.324 4.173 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000436703916 1099238044 /nfs/dbraw/zinc/23/80/44/1099238044.db2.gz NCPYZJUAJXSGQT-NRFANRHFSA-N -1 1 353.368 4.395 20 0 FIADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436742376 1099264472 /nfs/dbraw/zinc/26/44/72/1099264472.db2.gz VJAXAXXOUKQKNH-OAHLLOKOSA-N -1 1 354.233 4.159 20 0 FIADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc2ccccc2n1C(F)F ZINC000436759555 1099275020 /nfs/dbraw/zinc/27/50/20/1099275020.db2.gz ZYLLMCKQSHGGGL-VIFPVBQESA-N -1 1 365.767 4.281 20 0 FIADMM CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436763092 1099277655 /nfs/dbraw/zinc/27/76/55/1099277655.db2.gz ISRIZRRABNLJKJ-UHFFFAOYSA-N -1 1 366.339 4.258 20 0 FIADMM CCOc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436764052 1099278821 /nfs/dbraw/zinc/27/88/21/1099278821.db2.gz JOXZCQRPUXGFOR-UHFFFAOYSA-N -1 1 353.340 4.082 20 0 FIADMM CCOc1ccccc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763652 1099279831 /nfs/dbraw/zinc/27/98/31/1099279831.db2.gz LZHBXBMBMZBHHB-UHFFFAOYSA-N -1 1 353.340 4.082 20 0 FIADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Oc2cccnc2)cc1 ZINC000436747298 1099280845 /nfs/dbraw/zinc/28/08/45/1099280845.db2.gz KQECTLRAARHXEK-CYBMUJFWSA-N -1 1 352.365 4.210 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2-c2cccs2)c1 ZINC000533656121 1099281607 /nfs/dbraw/zinc/28/16/07/1099281607.db2.gz DFJVXPQIJWXEJE-UHFFFAOYSA-N -1 1 352.415 4.331 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000436753472 1099288801 /nfs/dbraw/zinc/28/88/01/1099288801.db2.gz VFSHQUDHWDOKSC-UHFFFAOYSA-N -1 1 367.342 4.397 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc2ccccc2c1[O-] ZINC000436756685 1099291585 /nfs/dbraw/zinc/29/15/85/1099291585.db2.gz SPIRXPUGWZKWGC-NRFANRHFSA-N -1 1 354.409 4.460 20 0 FIADMM O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436769223 1099309623 /nfs/dbraw/zinc/30/96/23/1099309623.db2.gz YLEIKJKZSLTGKV-NRFANRHFSA-N -1 1 371.392 4.227 20 0 FIADMM CC[C@@H](CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)C(C)C ZINC000068435529 1099327957 /nfs/dbraw/zinc/32/79/57/1099327957.db2.gz AECWZNGYQVCZPV-AWEZNQCLSA-N -1 1 352.548 4.300 20 0 FIADMM CN1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])c2cc(F)ccc21 ZINC000436805017 1099332508 /nfs/dbraw/zinc/33/25/08/1099332508.db2.gz CNOJBQQBGMGPLH-UHFFFAOYSA-N -1 1 368.330 4.037 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000516267783 1099333807 /nfs/dbraw/zinc/33/38/07/1099333807.db2.gz MJFIEGRIFOGSPE-GFCCVEGCSA-N -1 1 369.820 4.331 20 0 FIADMM COCCC[C@H](CNC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000436820497 1099349512 /nfs/dbraw/zinc/34/95/12/1099349512.db2.gz RFXNCUYIHFYEGH-CQSZACIVSA-N -1 1 365.832 4.125 20 0 FIADMM CCOc1cc(Br)c(F)cc1NC(=O)c1ccc([O-])cc1F ZINC000436822481 1099350013 /nfs/dbraw/zinc/35/00/13/1099350013.db2.gz USTNKWSQRBTKTH-UHFFFAOYSA-N -1 1 372.165 4.084 20 0 FIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000614868813 1099366053 /nfs/dbraw/zinc/36/60/53/1099366053.db2.gz PJBAYWJHUVOXAR-HNNXBMFYSA-N -1 1 374.506 4.141 20 0 FIADMM O=C(Nc1ccc(-c2ncco2)cc1)c1cc(Br)ccc1[O-] ZINC000436865111 1099374997 /nfs/dbraw/zinc/37/49/97/1099374997.db2.gz PYLVXVLSYZHPDO-UHFFFAOYSA-N -1 1 359.179 4.062 20 0 FIADMM CCOc1cc(-c2noc(C(C)(C)C3CCOCC3)n2)cc(Cl)c1[O-] ZINC000436871226 1099382098 /nfs/dbraw/zinc/38/20/98/1099382098.db2.gz JJPBWDOWLBYEQO-UHFFFAOYSA-N -1 1 366.845 4.199 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccccc3OCc3cscn3)n2)c(F)c1 ZINC000436870785 1099382331 /nfs/dbraw/zinc/38/23/31/1099382331.db2.gz FXPQYFLZLOXZOD-UHFFFAOYSA-N -1 1 369.377 4.284 20 0 FIADMM Cc1nc(NC(=O)c2ccc([O-])cc2F)sc1Cc1ccccc1F ZINC000436871425 1099383491 /nfs/dbraw/zinc/38/34/91/1099383491.db2.gz SOTVENFMEWTXGS-UHFFFAOYSA-N -1 1 360.385 4.278 20 0 FIADMM COc1cc(-c2noc([C@H]3C[C@]3(C)C(C)C)n2)cc(Br)c1[O-] ZINC000436874436 1099387866 /nfs/dbraw/zinc/38/78/66/1099387866.db2.gz QJQHOIGNNZVVHN-QLJPJBMISA-N -1 1 367.243 4.363 20 0 FIADMM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C(=O)c1ccc([O-])cc1 ZINC000436875420 1099389218 /nfs/dbraw/zinc/38/92/18/1099389218.db2.gz DBMVITVIWDDWPP-UHFFFAOYSA-N -1 1 374.421 4.490 20 0 FIADMM CCOc1cc(-c2noc(C3(OC)CCCCC3)n2)cc(Cl)c1[O-] ZINC000436875726 1099390190 /nfs/dbraw/zinc/39/01/90/1099390190.db2.gz DZQFWFIUWDVETE-UHFFFAOYSA-N -1 1 352.818 4.300 20 0 FIADMM CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436878758 1099395868 /nfs/dbraw/zinc/39/58/68/1099395868.db2.gz CZFMYHBJDUQOJU-GOSISDBHSA-N -1 1 373.412 4.477 20 0 FIADMM COc1cc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)cc(Cl)c1[O-] ZINC000436886856 1099404402 /nfs/dbraw/zinc/40/44/02/1099404402.db2.gz UPVJULDPPRRNKF-UHFFFAOYSA-N -1 1 371.702 4.185 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccccc3OCC(C)C)no2)c1 ZINC000436906503 1099415958 /nfs/dbraw/zinc/41/59/58/1099415958.db2.gz BUYAWEWTPKTFJL-UHFFFAOYSA-N -1 1 367.405 4.102 20 0 FIADMM Cc1ccccc1NC(=O)Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436895924 1099421539 /nfs/dbraw/zinc/42/15/39/1099421539.db2.gz KOAUKGFMGJHBCS-UHFFFAOYSA-N -1 1 359.385 4.085 20 0 FIADMM CCC(CC)n1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])n1 ZINC000436896266 1099421699 /nfs/dbraw/zinc/42/16/99/1099421699.db2.gz XZHVOSLWMOPWKP-UHFFFAOYSA-N -1 1 366.259 4.273 20 0 FIADMM C[C@@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc(F)c1 ZINC000436920208 1099435056 /nfs/dbraw/zinc/43/50/56/1099435056.db2.gz QYEFKMULODIIFA-JTQLQIEISA-N -1 1 374.803 4.102 20 0 FIADMM C[C@@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc(F)c1 ZINC000436920208 1099435061 /nfs/dbraw/zinc/43/50/61/1099435061.db2.gz QYEFKMULODIIFA-JTQLQIEISA-N -1 1 374.803 4.102 20 0 FIADMM COc1ccc(-c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c([O-])c1 ZINC000436921150 1099436435 /nfs/dbraw/zinc/43/64/35/1099436435.db2.gz UQVBFDJXPQCKOZ-UHFFFAOYSA-N -1 1 355.781 4.176 20 0 FIADMM O=C1C[C@@H](c2noc(-c3ccc4ccccc4c3[O-])n2)CN1c1ccccc1 ZINC000436933550 1099447568 /nfs/dbraw/zinc/44/75/68/1099447568.db2.gz HYPVGTZHQLOJPV-OAHLLOKOSA-N -1 1 371.396 4.116 20 0 FIADMM Cc1cccc(C(NC(=O)C(=O)c2ccc([O-])cc2)c2cccc(C)c2)c1 ZINC000436940468 1099453127 /nfs/dbraw/zinc/45/31/27/1099453127.db2.gz AMFWLAWOBFYNQV-UHFFFAOYSA-N -1 1 359.425 4.098 20 0 FIADMM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc2ccccc2cc1[O-] ZINC000436943109 1099454240 /nfs/dbraw/zinc/45/42/40/1099454240.db2.gz YOMYOTDXUQDHLF-GHTZIAJQSA-N -1 1 365.404 4.335 20 0 FIADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436943815 1099454895 /nfs/dbraw/zinc/45/48/95/1099454895.db2.gz HFPDEGLQYAJYKX-KGLIPLIRSA-N -1 1 374.278 4.481 20 0 FIADMM O=C(NCc1ccc(Sc2ccccc2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436962237 1099460280 /nfs/dbraw/zinc/46/02/80/1099460280.db2.gz DPCGIXOMEHNTTK-UHFFFAOYSA-N -1 1 363.438 4.043 20 0 FIADMM CC(C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000436968095 1099466689 /nfs/dbraw/zinc/46/66/89/1099466689.db2.gz UWMNHUOKPNPSSS-INIZCTEOSA-N -1 1 365.351 4.107 20 0 FIADMM CCOc1cc(-c2noc(C(C)(C)CC)n2)cc(Br)c1[O-] ZINC000436955591 1099473595 /nfs/dbraw/zinc/47/35/95/1099473595.db2.gz LPPAINRFORMRFV-UHFFFAOYSA-N -1 1 355.232 4.291 20 0 FIADMM O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000437001687 1099506064 /nfs/dbraw/zinc/50/60/64/1099506064.db2.gz LABIMVMVPOVSGT-GOSISDBHSA-N -1 1 373.330 4.148 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@](C)(c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000078259161 1099510892 /nfs/dbraw/zinc/51/08/92/1099510892.db2.gz FEDFJKPIOFKGRS-HSZRJFAPSA-N -1 1 374.488 4.007 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H]1Cc1ccccc1 ZINC000516494650 1099541559 /nfs/dbraw/zinc/54/15/59/1099541559.db2.gz RHZQQVLYWJMFOZ-OAHLLOKOSA-N -1 1 352.821 4.051 20 0 FIADMM CC(=O)Oc1ccc(Nc2cc(Br)cc(Cl)c2[O-])cc1 ZINC001212087771 1099591526 /nfs/dbraw/zinc/59/15/26/1099591526.db2.gz QWAGICLSRIMBPC-UHFFFAOYSA-N -1 1 356.603 4.477 20 0 FIADMM C[C@H](CC(C)(C)C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000475997956 1099593948 /nfs/dbraw/zinc/59/39/48/1099593948.db2.gz LTNLUPZWEOEWPJ-OAHLLOKOSA-N -1 1 374.506 4.498 20 0 FIADMM Cc1nc(-c2ccc(N3CCCC[C@@H]3CC3CCC3)nc2)[n-]c(=O)c1C ZINC000664607659 1099615374 /nfs/dbraw/zinc/61/53/74/1099615374.db2.gz WJWIWARTMYKSCQ-GOSISDBHSA-N -1 1 352.482 4.410 20 0 FIADMM CC(C)c1nnc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)s1 ZINC000171025732 1100077369 /nfs/dbraw/zinc/07/73/69/1100077369.db2.gz VZSHYITVOOIJKE-UHFFFAOYSA-N -1 1 366.418 4.316 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000438721962 1100883193 /nfs/dbraw/zinc/88/31/93/1100883193.db2.gz KPBRCKPSJZGBDB-UHFFFAOYSA-N -1 1 359.369 4.043 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCCS3)n2)cc(Br)c1[O-] ZINC000438750448 1100903335 /nfs/dbraw/zinc/90/33/35/1100903335.db2.gz XNXJWOMCHRKSTK-LLVKDONJSA-N -1 1 371.256 4.172 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1C ZINC000438811899 1100933414 /nfs/dbraw/zinc/93/34/14/1100933414.db2.gz MLNFVALRBZRUAN-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM CCc1nc(SCc2nnc(-c3ccccc3Cl)o2)[n-]c(=O)c1C ZINC000518219084 1101018907 /nfs/dbraw/zinc/01/89/07/1101018907.db2.gz WKELGYYOECOVJP-UHFFFAOYSA-N -1 1 362.842 4.049 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000518329397 1101100185 /nfs/dbraw/zinc/10/01/85/1101100185.db2.gz SXAGOOPPULGHHJ-UHFFFAOYSA-N -1 1 350.871 4.049 20 0 FIADMM CC[C@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)on1 ZINC000439062660 1101114224 /nfs/dbraw/zinc/11/42/24/1101114224.db2.gz ALHPWPZZWDWFOB-LBPRGKRZSA-N -1 1 361.405 4.379 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(-c2cscn2)c1 ZINC000439056432 1101121878 /nfs/dbraw/zinc/12/18/78/1101121878.db2.gz KVVRAGBCMFBFBD-UHFFFAOYSA-N -1 1 362.414 4.158 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000439072810 1101125625 /nfs/dbraw/zinc/12/56/25/1101125625.db2.gz RYBMPUJTNBCKBF-GCJKJVERSA-N -1 1 359.429 4.015 20 0 FIADMM COc1cccc(-c2nsc(NC([O-])=C(c3ccccc3)C(C)C)n2)c1 ZINC000439191622 1101234343 /nfs/dbraw/zinc/23/43/43/1101234343.db2.gz MGSKEPNDLWEITE-QGZVFWFLSA-N -1 1 367.474 4.014 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c2cccnc12 ZINC000536894102 1101315289 /nfs/dbraw/zinc/31/52/89/1101315289.db2.gz OJEKAHYQYLSQJD-UHFFFAOYSA-N -1 1 370.474 4.476 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1Cl ZINC000509602734 1101553656 /nfs/dbraw/zinc/55/36/56/1101553656.db2.gz OVFHYMANAJSBAM-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(C(F)F)c3)c2C)o1 ZINC000780395352 1101608965 /nfs/dbraw/zinc/60/89/65/1101608965.db2.gz RFVBPIZYFRTIDU-UHFFFAOYSA-N -1 1 367.377 4.025 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(C)n(C(F)F)n3)n2)cc(Cl)c1[O-] ZINC000445426055 1101613947 /nfs/dbraw/zinc/61/39/47/1101613947.db2.gz HTCPHUFZYFSOHP-UHFFFAOYSA-N -1 1 370.743 4.061 20 0 FIADMM O=C(CCc1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315759 1101636710 /nfs/dbraw/zinc/63/67/10/1101636710.db2.gz PCYSGJZOWRAOBC-UHFFFAOYSA-N -1 1 371.864 4.100 20 0 FIADMM COc1ccccc1CN(Cc1cccs1)C(=O)c1ncc(C)cc1[O-] ZINC000460198224 1101701112 /nfs/dbraw/zinc/70/11/12/1101701112.db2.gz MFLIJOKFPGMNAQ-UHFFFAOYSA-N -1 1 368.458 4.008 20 0 FIADMM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000537414325 1101759206 /nfs/dbraw/zinc/75/92/06/1101759206.db2.gz JMTISVAANWZHDH-RISCZKNCSA-N -1 1 359.495 4.432 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc1 ZINC000032585578 1102040153 /nfs/dbraw/zinc/04/01/53/1102040153.db2.gz NSARIOQHLNKVTC-UHFFFAOYSA-N -1 1 371.458 4.436 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1F ZINC000032589357 1102043601 /nfs/dbraw/zinc/04/36/01/1102043601.db2.gz ZJMYOODFPYRLHU-UHFFFAOYSA-N -1 1 363.435 4.364 20 0 FIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000476267692 1102078510 /nfs/dbraw/zinc/07/85/10/1102078510.db2.gz XNUWBAWDXBFGQZ-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(-c2ccccc2)n1 ZINC000053210192 1102222098 /nfs/dbraw/zinc/22/20/98/1102222098.db2.gz VXFKQMNRHMSMCU-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c([O-])c1 ZINC000121231648 1102349574 /nfs/dbraw/zinc/34/95/74/1102349574.db2.gz JMXAQBGWJAGSBV-UHFFFAOYSA-N -1 1 359.385 4.196 20 0 FIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])cc1OC ZINC000121304928 1102369335 /nfs/dbraw/zinc/36/93/35/1102369335.db2.gz JZYUXOYQELHPLL-HNNXBMFYSA-N -1 1 361.825 4.040 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cc(Cl)sc1Cl ZINC000473654961 1102407191 /nfs/dbraw/zinc/40/71/91/1102407191.db2.gz BBJFTDHZFNXKKL-UHFFFAOYSA-N -1 1 374.199 4.397 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)c2ccccc2)c1 ZINC000121998025 1102508481 /nfs/dbraw/zinc/50/84/81/1102508481.db2.gz LNNXWWARMQDRHV-UHFFFAOYSA-N -1 1 374.440 4.240 20 0 FIADMM CCN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000101681657 1102656889 /nfs/dbraw/zinc/65/68/89/1102656889.db2.gz MZWIULFUSVLATR-UHFFFAOYSA-N -1 1 367.232 4.043 20 0 FIADMM CCOC(=O)C(=C([O-])CSc1cccc(Cl)c1)c1nc(C)cs1 ZINC000101801933 1102729232 /nfs/dbraw/zinc/72/92/32/1102729232.db2.gz UDKKQFGTIBDPOH-AWEZNQCLSA-N -1 1 369.895 4.113 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000192652626 1102868869 /nfs/dbraw/zinc/86/88/69/1102868869.db2.gz DENXRHOYDWRZPX-VIFPVBQESA-N -1 1 355.768 4.214 20 0 FIADMM Cc1ccc([C@@H](NCc2ccc(Cl)cc2Br)C(=O)[O-])cc1 ZINC000426706196 1102943976 /nfs/dbraw/zinc/94/39/76/1102943976.db2.gz RVBXLRXYMVDYOC-OAHLLOKOSA-N -1 1 368.658 4.326 20 0 FIADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000476903135 1102945113 /nfs/dbraw/zinc/94/51/13/1102945113.db2.gz NDJKDSAOWOPEQK-LJQANCHMSA-N -1 1 363.486 4.270 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000476927169 1102945698 /nfs/dbraw/zinc/94/56/98/1102945698.db2.gz WNPWGXSOMBENJD-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cn2)cc1 ZINC000614831495 1102948153 /nfs/dbraw/zinc/94/81/53/1102948153.db2.gz FQKJLDARCBGNMY-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM Cc1cccc([C@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1C ZINC000426737443 1102955690 /nfs/dbraw/zinc/95/56/90/1102955690.db2.gz OACYMUYRRDBZFE-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM CCC(C)(C)c1ccc(CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)cc1 ZINC000506926042 1102961585 /nfs/dbraw/zinc/96/15/85/1102961585.db2.gz KREUTYQOSGSYHC-UHFFFAOYSA-N -1 1 369.490 4.133 20 0 FIADMM CCC(C)(C)c1ccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)cc1 ZINC000506926042 1102961589 /nfs/dbraw/zinc/96/15/89/1102961589.db2.gz KREUTYQOSGSYHC-UHFFFAOYSA-N -1 1 369.490 4.133 20 0 FIADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1F ZINC000426748998 1102965926 /nfs/dbraw/zinc/96/59/26/1102965926.db2.gz BTZMXQDVYJGEIN-HNNXBMFYSA-N -1 1 372.223 4.447 20 0 FIADMM COc1cc(C)nc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000426753584 1102969350 /nfs/dbraw/zinc/96/93/50/1102969350.db2.gz JJHKXUOSSORLBQ-INIZCTEOSA-N -1 1 369.248 4.011 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1cccc(Cl)c1 ZINC000426806056 1102988116 /nfs/dbraw/zinc/98/81/16/1102988116.db2.gz IBVHSEPGVQGZRI-MRXNPFEDSA-N -1 1 366.244 4.234 20 0 FIADMM Cc1cc([C@@H](NCc2csc(Br)c2)C(=O)[O-])ccc1Cl ZINC000426797835 1102997428 /nfs/dbraw/zinc/99/74/28/1102997428.db2.gz GUIOHJNXMAKRCG-CYBMUJFWSA-N -1 1 374.687 4.388 20 0 FIADMM Cc1ccc2[nH]c(CN[C@H](CC(=O)[O-])c3ccc(F)cc3F)cc2c1C ZINC000426809038 1103004397 /nfs/dbraw/zinc/00/43/97/1103004397.db2.gz OTCFQEARXJXGAX-LJQANCHMSA-N -1 1 358.388 4.369 20 0 FIADMM CC(C)COc1cccc(CN[C@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426826195 1103024522 /nfs/dbraw/zinc/02/45/22/1103024522.db2.gz OAENTQAWXSSWQP-LJQANCHMSA-N -1 1 363.404 4.305 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@H]2c2cccs2)cc(Cl)c1[O-] ZINC000192722325 1103298923 /nfs/dbraw/zinc/29/89/23/1103298923.db2.gz RMOJDLLKJNMORX-ZDUSSCGKSA-N -1 1 351.855 4.483 20 0 FIADMM O=C([O-])C[C@H]1CCCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000532881132 1103302492 /nfs/dbraw/zinc/30/24/92/1103302492.db2.gz IOYBWQALJASNKS-CQSZACIVSA-N -1 1 364.898 4.074 20 0 FIADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H](C)C1(F)F ZINC000629364869 1103304637 /nfs/dbraw/zinc/30/46/37/1103304637.db2.gz QLNLDZZXVHERPZ-KKFJDGPESA-N -1 1 352.208 4.342 20 0 FIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1sccc1F ZINC000551547079 1103343681 /nfs/dbraw/zinc/34/36/81/1103343681.db2.gz IZRDMGOMDFCDFF-UHFFFAOYSA-N -1 1 353.831 4.235 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2csc(-c3ccccc3)n2)[n-]c1=O ZINC000427277341 1103401904 /nfs/dbraw/zinc/40/19/04/1103401904.db2.gz ZLCVJFJXLWWENC-XFXZXTDPSA-N -1 1 367.430 4.043 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1F ZINC000507632438 1103567594 /nfs/dbraw/zinc/56/75/94/1103567594.db2.gz AGEWLYIBKGSBEQ-UHFFFAOYSA-N -1 1 372.393 4.482 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1C ZINC000005121373 1103725603 /nfs/dbraw/zinc/72/56/03/1103725603.db2.gz CABOIEJTVDCIGO-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM COc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4Cl)no3)c21 ZINC000445450584 1103874269 /nfs/dbraw/zinc/87/42/69/1103874269.db2.gz YVRNRSNFLSPLSM-UHFFFAOYSA-N -1 1 355.781 4.176 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000440818759 1103964565 /nfs/dbraw/zinc/96/45/65/1103964565.db2.gz UZGGMQVUZOOKPA-UHFFFAOYSA-N -1 1 366.442 4.434 20 0 FIADMM O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cncc([O-])c1 ZINC000520381069 1104310219 /nfs/dbraw/zinc/31/02/19/1104310219.db2.gz QTHXTZWYGQINQV-UHFFFAOYSA-N -1 1 361.426 4.240 20 0 FIADMM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1ccc(Cl)c(F)c1Cl ZINC000473952011 1104465442 /nfs/dbraw/zinc/46/54/42/1104465442.db2.gz VCKHVJHCTLCKSO-UHFFFAOYSA-N -1 1 373.236 4.092 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000509613923 1104667291 /nfs/dbraw/zinc/66/72/91/1104667291.db2.gz QLWQAEVUZONMMJ-UHFFFAOYSA-N -1 1 369.417 4.166 20 0 FIADMM CCS(=O)(=O)[N-]c1cc(-c2ccccc2CC(F)(F)F)ccc1OC ZINC000623171034 1104687279 /nfs/dbraw/zinc/68/72/79/1104687279.db2.gz KTGYLCFYVFYZEQ-UHFFFAOYSA-N -1 1 373.396 4.229 20 0 FIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)o1 ZINC000189744047 1104842072 /nfs/dbraw/zinc/84/20/72/1104842072.db2.gz DMLYEJCZFUSAJX-UHFFFAOYSA-N -1 1 354.218 4.281 20 0 FIADMM Cc1nc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])cs1 ZINC000190012925 1104871011 /nfs/dbraw/zinc/87/10/11/1104871011.db2.gz JGPRXAUUQMFUMV-CYBMUJFWSA-N -1 1 356.369 4.153 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1Br)c1ccccc1F ZINC000190091026 1104875787 /nfs/dbraw/zinc/87/57/87/1104875787.db2.gz BCHNYBVECIELKG-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1F ZINC000441710472 1105114278 /nfs/dbraw/zinc/11/42/78/1105114278.db2.gz CMWATPGASPTMAR-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000032098458 1105153637 /nfs/dbraw/zinc/15/36/37/1105153637.db2.gz CJUOGKPMZMHMHQ-UHFFFAOYSA-N -1 1 374.506 4.425 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1 ZINC000427630232 1105159951 /nfs/dbraw/zinc/15/99/51/1105159951.db2.gz RCAFQOHFIQKGBW-UHFFFAOYSA-N -1 1 352.459 4.420 20 0 FIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1 ZINC000427764389 1105275745 /nfs/dbraw/zinc/27/57/45/1105275745.db2.gz KZMFLTWAOTZRLA-UHFFFAOYSA-N -1 1 358.507 4.021 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508057691 1105314851 /nfs/dbraw/zinc/31/48/51/1105314851.db2.gz OOFAZQBASGGRBD-ZDUSSCGKSA-N -1 1 374.409 4.120 20 0 FIADMM CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C(C)(C)C ZINC001211897369 1106871768 /nfs/dbraw/zinc/87/17/68/1106871768.db2.gz RUINPDUVNWKTJB-GFCCVEGCSA-N -1 1 366.296 4.081 20 0 FIADMM Cc1cscc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444353042 1106901562 /nfs/dbraw/zinc/90/15/62/1106901562.db2.gz PRBNATFXEMQGCV-UHFFFAOYSA-N -1 1 358.463 4.077 20 0 FIADMM O=c1[n-]c(Oc2ccc(Cl)cc2F)nc2c1cnn2-c1ccccc1 ZINC000301331276 1106993458 /nfs/dbraw/zinc/99/34/58/1106993458.db2.gz DRJVEUGZDZYRNU-UHFFFAOYSA-N -1 1 356.744 4.106 20 0 FIADMM Cc1nc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301429954 1107028583 /nfs/dbraw/zinc/02/85/83/1107028583.db2.gz VFBNRRHFPOHNLB-UHFFFAOYSA-N -1 1 366.440 4.390 20 0 FIADMM O=c1[n-]c(Oc2cccc3c2CCCC3)nc2c1cnn2-c1ccccc1 ZINC000301453275 1107034689 /nfs/dbraw/zinc/03/46/89/1107034689.db2.gz AZMHWYJHXAEKDJ-UHFFFAOYSA-N -1 1 358.401 4.192 20 0 FIADMM CCCCO[C@@H]1C[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(C)C ZINC000301551643 1107067935 /nfs/dbraw/zinc/06/79/35/1107067935.db2.gz RAGNCUMKKRDWFB-IAGOWNOFSA-N -1 1 370.497 4.257 20 0 FIADMM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)CCC2 ZINC000302036389 1107268376 /nfs/dbraw/zinc/26/83/76/1107268376.db2.gz PLVXXKORCXIOQH-HNNXBMFYSA-N -1 1 367.478 4.115 20 0 FIADMM CC(C)n1cccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444372766 1107302033 /nfs/dbraw/zinc/30/20/33/1107302033.db2.gz JUYGRMBBPJJUJD-UHFFFAOYSA-N -1 1 369.465 4.089 20 0 FIADMM Cc1ccsc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444375274 1107448331 /nfs/dbraw/zinc/44/83/31/1107448331.db2.gz OUTNLLKIUJZUCQ-UHFFFAOYSA-N -1 1 358.463 4.077 20 0 FIADMM Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(F)c1 ZINC000444387884 1107535756 /nfs/dbraw/zinc/53/57/56/1107535756.db2.gz XIYQKKDJDZLMGM-UHFFFAOYSA-N -1 1 370.424 4.155 20 0 FIADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1cc(Cl)sc1Cl ZINC000531206221 1107649028 /nfs/dbraw/zinc/64/90/28/1107649028.db2.gz UNKHMQVGIOGQGN-UHFFFAOYSA-N -1 1 366.266 4.162 20 0 FIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000531481694 1107920786 /nfs/dbraw/zinc/92/07/86/1107920786.db2.gz HZLWYURXFJYDDB-OUFNUQFJSA-N -1 1 373.456 4.021 20 0 FIADMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000523415807 1108203836 /nfs/dbraw/zinc/20/38/36/1108203836.db2.gz OFRGIBHENOITNB-SSDOTTSWSA-N -1 1 370.348 4.334 20 0 FIADMM CCOc1cc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)cc(Cl)c1[O-] ZINC000546563433 1108270453 /nfs/dbraw/zinc/27/04/53/1108270453.db2.gz BGPFBLQKWLRMQJ-NSHDSACASA-N -1 1 363.816 4.343 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016101080 1108678301 /nfs/dbraw/zinc/67/83/01/1108678301.db2.gz NFFRAWAPUQVDDZ-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM COc1cc(-c2noc([C@@H]3CC=CCC3)n2)cc(Br)c1[O-] ZINC000445388740 1108705226 /nfs/dbraw/zinc/70/52/26/1108705226.db2.gz DKRUDXQNIGDAOR-SECBINFHSA-N -1 1 351.200 4.037 20 0 FIADMM COc1cc(-c2noc(/C=C/C3CCC3)n2)cc(Br)c1[O-] ZINC000445397203 1108726435 /nfs/dbraw/zinc/72/64/35/1108726435.db2.gz FBQSEXOURBEPQT-AATRIKPKSA-N -1 1 351.200 4.027 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(CC)nc3C)n2)cc(Cl)c1[O-] ZINC000445406725 1108730809 /nfs/dbraw/zinc/73/08/09/1108730809.db2.gz KKGIQTPSWKYBOW-UHFFFAOYSA-N -1 1 359.813 4.427 20 0 FIADMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2[O-])c(Br)c1 ZINC000532266545 1108738403 /nfs/dbraw/zinc/73/84/03/1108738403.db2.gz KBGNVDXTFCGJHK-SNVBAGLBSA-N -1 1 368.202 4.008 20 0 FIADMM CCOc1ccc(Cc2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)cc1 ZINC000445430631 1108742073 /nfs/dbraw/zinc/74/20/73/1108742073.db2.gz JBBVXPANCVPZNB-UHFFFAOYSA-N -1 1 374.824 4.484 20 0 FIADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)C(=O)c1cccc(F)c1 ZINC000445448640 1108750107 /nfs/dbraw/zinc/75/01/07/1108750107.db2.gz SKMSCXYYNORDTR-JTQLQIEISA-N -1 1 360.772 4.296 20 0 FIADMM O=c1[nH]c2c(cc1-c1nc(-c3ccc([O-])cc3Cl)no1)CCCCC2 ZINC000445447933 1108750213 /nfs/dbraw/zinc/75/02/13/1108750213.db2.gz JGMXIBIDMYKZMF-UHFFFAOYSA-N -1 1 357.797 4.132 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccccc3Br)n2)c(Cl)c1 ZINC000445448191 1108750755 /nfs/dbraw/zinc/75/07/55/1108750755.db2.gz KGOGQZHFNUJBHS-UHFFFAOYSA-N -1 1 365.614 4.449 20 0 FIADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445444931 1108770855 /nfs/dbraw/zinc/77/08/55/1108770855.db2.gz HVPLOFKNJISJAN-BMIGLBTASA-N -1 1 369.808 4.357 20 0 FIADMM CC(=O)Nc1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445445201 1108771572 /nfs/dbraw/zinc/77/15/72/1108771572.db2.gz IGIKMMFHXZGMQN-WTKPLQERSA-N -1 1 355.781 4.224 20 0 FIADMM Cc1nn(CC(C)C)c(C)c1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445445631 1108771591 /nfs/dbraw/zinc/77/15/91/1108771591.db2.gz JSMROJVTUPMFSY-UHFFFAOYSA-N -1 1 360.845 4.156 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C/c3cnc4ccccc4n3)n2)c(Cl)c1 ZINC000445446291 1108773655 /nfs/dbraw/zinc/77/36/55/1108773655.db2.gz DCRLPECILUXEMC-VMPITWQZSA-N -1 1 350.765 4.209 20 0 FIADMM CCO[C@H](C)c1ncc(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000445446193 1108774425 /nfs/dbraw/zinc/77/44/25/1108774425.db2.gz CWUSGEJAYNDIOM-MRVPVSSYSA-N -1 1 351.815 4.317 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(F)c(Br)c3)n2)cc1F ZINC000445471105 1108783393 /nfs/dbraw/zinc/78/33/93/1108783393.db2.gz GLZBWYOMFISLBE-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM Cc1nn(CC(C)C)c(C)c1CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445455269 1108788648 /nfs/dbraw/zinc/78/86/48/1108788648.db2.gz OLHZLOUCGVPRNC-UHFFFAOYSA-N -1 1 374.872 4.350 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cc(F)ccc3Br)n2)c(F)c1 ZINC000445454940 1108788822 /nfs/dbraw/zinc/78/88/22/1108788822.db2.gz BKNRJCIIGWWDCN-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4cccc(F)c4)n3)n2)c(F)c1 ZINC000445457211 1108791475 /nfs/dbraw/zinc/79/14/75/1108791475.db2.gz XPNRRHLXKKHGEY-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OCC(F)(F)F)c3)n2)c(F)c1 ZINC000445460712 1108793260 /nfs/dbraw/zinc/79/32/60/1108793260.db2.gz CJZZLVSCKZSCDV-UHFFFAOYSA-N -1 1 354.259 4.189 20 0 FIADMM COc1ccc(-c2cncc(-c3nc(-c4ccc([O-])c(F)c4)no3)c2)cc1 ZINC000445479912 1108799748 /nfs/dbraw/zinc/79/97/48/1108799748.db2.gz IUNVMQSBZPRUKX-UHFFFAOYSA-N -1 1 363.348 4.319 20 0 FIADMM Cc1cc(C)n(-c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2F)n1 ZINC000445481708 1108801526 /nfs/dbraw/zinc/80/15/26/1108801526.db2.gz NXTJEQXQRDMTND-UHFFFAOYSA-N -1 1 368.343 4.190 20 0 FIADMM CC[C@H](C)n1ncc2c1nc(C)cc2-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484237 1108805287 /nfs/dbraw/zinc/80/52/87/1108805287.db2.gz YFLSMLYNYFMTCJ-NSHDSACASA-N -1 1 367.384 4.272 20 0 FIADMM CCOc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445476552 1108815301 /nfs/dbraw/zinc/81/53/01/1108815301.db2.gz DXDJZZFKHVVXLM-UITAMQMPSA-N -1 1 356.353 4.159 20 0 FIADMM COc1cnccc1-c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000445624124 1108922348 /nfs/dbraw/zinc/92/23/48/1108922348.db2.gz OSNIXWHRGPEMSK-UHFFFAOYSA-N -1 1 361.357 4.305 20 0 FIADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445706978 1108958790 /nfs/dbraw/zinc/95/87/90/1108958790.db2.gz JIPNJLCPVLHXGQ-LBPRGKRZSA-N -1 1 367.364 4.136 20 0 FIADMM CC[C@@H](c1nnc(SCC(=O)c2ccc([O-])cc2)o1)c1ccccc1 ZINC000524316693 1108963611 /nfs/dbraw/zinc/96/36/11/1108963611.db2.gz UEYQUAODIDZYJY-MRXNPFEDSA-N -1 1 354.431 4.292 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000016149122 1108977049 /nfs/dbraw/zinc/97/70/49/1108977049.db2.gz NJWQHKWUMPHNRF-UHFFFAOYSA-N -1 1 367.295 4.108 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)Cc3c[nH]c4cc(Cl)ccc34)[nH][n-]2)s1 ZINC000524352657 1108979448 /nfs/dbraw/zinc/97/94/48/1108979448.db2.gz PLAKYZPADQXDMI-UHFFFAOYSA-N -1 1 370.865 4.184 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114436314 1109037098 /nfs/dbraw/zinc/03/70/98/1109037098.db2.gz YJOIMOUTKMMCRD-GOSISDBHSA-N -1 1 374.535 4.018 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCCCCC1 ZINC000525068528 1109248066 /nfs/dbraw/zinc/24/80/66/1109248066.db2.gz FQLUPXBPYSRAGZ-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM O=S(=O)([N-]CC(C1CC1)C1CC1)c1c(Cl)cccc1C(F)(F)F ZINC000525187846 1109295381 /nfs/dbraw/zinc/29/53/81/1109295381.db2.gz HIPMXDYBNXRORO-UHFFFAOYSA-N -1 1 367.820 4.073 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000446760301 1109336958 /nfs/dbraw/zinc/33/69/58/1109336958.db2.gz FYUOUKXFYIHPDH-UHFFFAOYSA-N -1 1 365.286 4.193 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)c(C)s1 ZINC000525325520 1109338559 /nfs/dbraw/zinc/33/85/59/1109338559.db2.gz SLKFFWXFHVCJQI-UHFFFAOYSA-N -1 1 364.536 4.402 20 0 FIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000447272779 1109486541 /nfs/dbraw/zinc/48/65/41/1109486541.db2.gz SWUWTEVCNAUMLQ-UHFFFAOYSA-N -1 1 373.833 4.076 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)n1 ZINC000447278662 1109493562 /nfs/dbraw/zinc/49/35/62/1109493562.db2.gz NZXVFLUAWJHJSR-NSHDSACASA-N -1 1 374.441 4.101 20 0 FIADMM COc1cc(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000447692065 1109622055 /nfs/dbraw/zinc/62/20/55/1109622055.db2.gz YJNRADPKNDCTSQ-FQEVSTJZSA-N -1 1 359.853 4.166 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447780478 1109641649 /nfs/dbraw/zinc/64/16/49/1109641649.db2.gz YDTJCTKKBPLURG-UHFFFAOYSA-N -1 1 370.352 4.018 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)c1 ZINC000448115475 1109722416 /nfs/dbraw/zinc/72/24/16/1109722416.db2.gz FIENWRXVEGDKAP-UHFFFAOYSA-N -1 1 368.458 4.245 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1 ZINC000448128523 1109727704 /nfs/dbraw/zinc/72/77/04/1109727704.db2.gz NOZLEBBNRKNHCM-UHFFFAOYSA-N -1 1 371.380 4.407 20 0 FIADMM CCC(C)(C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000527480496 1109764740 /nfs/dbraw/zinc/76/47/40/1109764740.db2.gz OXVVBZKPCOSGJD-UHFFFAOYSA-N -1 1 374.506 4.056 20 0 FIADMM COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(Cl)c1[O-] ZINC000527486769 1109767114 /nfs/dbraw/zinc/76/71/14/1109767114.db2.gz IRADZCPSDXWAKI-UHFFFAOYSA-N -1 1 352.843 4.032 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1cnccc1C(F)(F)F ZINC000527488733 1109767469 /nfs/dbraw/zinc/76/74/69/1109767469.db2.gz UMLWBDKHTUVKBB-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CC[C@H](c1nnc([N-]C(=O)c2conc2C(C)C)s1)c1ccccc1 ZINC000528461273 1109996460 /nfs/dbraw/zinc/99/64/60/1109996460.db2.gz OKRCJXPPWBAQSX-ZDUSSCGKSA-N -1 1 356.451 4.444 20 0 FIADMM COc1cccc([C@@H]2CN(Cc3nc(=O)c4sccc4[n-]3)CC2(C)C)c1 ZINC000528623347 1110051117 /nfs/dbraw/zinc/05/11/17/1110051117.db2.gz JRFUWEUYVHHABC-HNNXBMFYSA-N -1 1 369.490 4.031 20 0 FIADMM CCc1nn(C)c(CC)c1CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539719 1110284712 /nfs/dbraw/zinc/28/47/12/1110284712.db2.gz STPQNWIJHVKSED-UHFFFAOYSA-N -1 1 371.868 4.238 20 0 FIADMM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538583 1110286605 /nfs/dbraw/zinc/28/66/05/1110286605.db2.gz FXGYCRBRZRLKFQ-QWHCGFSZSA-N -1 1 363.841 4.112 20 0 FIADMM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000450468176 1110301695 /nfs/dbraw/zinc/30/16/95/1110301695.db2.gz NGINPOYTMLRKAL-MRVPVSSYSA-N -1 1 354.166 4.380 20 0 FIADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538477932 1111151110 /nfs/dbraw/zinc/15/11/10/1111151110.db2.gz AVOFYUMSVQXTCC-DLBZAZTESA-N -1 1 364.367 4.214 20 0 FIADMM CCCC(=O)Nc1cccc(NC(=O)c2cc(SC)ccc2[O-])c1C ZINC000667168206 1111348335 /nfs/dbraw/zinc/34/83/35/1111348335.db2.gz ZRCIUOWAHBYHRR-UHFFFAOYSA-N -1 1 358.463 4.413 20 0 FIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462066531 1111475463 /nfs/dbraw/zinc/47/54/63/1111475463.db2.gz SSOMMLXTTAMUHY-ZETCQYMHSA-N -1 1 369.352 4.022 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1Cl ZINC000539238230 1111489870 /nfs/dbraw/zinc/48/98/70/1111489870.db2.gz KCYUGZGRYZODJQ-UHFFFAOYSA-N -1 1 369.870 4.076 20 0 FIADMM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000041503130 1111542227 /nfs/dbraw/zinc/54/22/27/1111542227.db2.gz FZVYPFUFSHMBIB-NSHDSACASA-N -1 1 370.817 4.211 20 0 FIADMM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000041503134 1111542250 /nfs/dbraw/zinc/54/22/50/1111542250.db2.gz FZVYPFUFSHMBIB-LLVKDONJSA-N -1 1 370.817 4.211 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1 ZINC000667374130 1111845299 /nfs/dbraw/zinc/84/52/99/1111845299.db2.gz KFZNJKODMRJLHD-KRWDZBQOSA-N -1 1 369.446 4.094 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(Cl)cc1Cl ZINC000479138452 1111952147 /nfs/dbraw/zinc/95/21/47/1111952147.db2.gz XBTTUYFRCOYUSF-UHFFFAOYSA-N -1 1 374.274 4.107 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1Cl ZINC000479494293 1112046233 /nfs/dbraw/zinc/04/62/33/1112046233.db2.gz FLAQKSFVIHOYTD-UHFFFAOYSA-N -1 1 368.867 4.149 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C4CC4)no3)ccc2C)cc1 ZINC000554084984 1112197041 /nfs/dbraw/zinc/19/70/41/1112197041.db2.gz WUUBUJZOIZSSCP-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc(Cl)c1[O-] ZINC000554161048 1112220970 /nfs/dbraw/zinc/22/09/70/1112220970.db2.gz WZALOOUGFYVFFH-HNNXBMFYSA-N -1 1 359.853 4.464 20 0 FIADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccc(-c2ccccc2)cn1 ZINC000554727417 1112456947 /nfs/dbraw/zinc/45/69/47/1112456947.db2.gz SSNXKSXJWCZYAE-UHFFFAOYSA-N -1 1 358.850 4.344 20 0 FIADMM CCSc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c(Br)c1 ZINC000629491987 1113047731 /nfs/dbraw/zinc/04/77/31/1113047731.db2.gz WAOXJEWJXWJKCR-DGCLKSJQSA-N -1 1 372.328 4.246 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c1 ZINC000481961343 1113141387 /nfs/dbraw/zinc/14/13/87/1113141387.db2.gz FYQPNUFBNQFAJD-UHFFFAOYSA-N -1 1 353.390 4.005 20 0 FIADMM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000158637404 1113251414 /nfs/dbraw/zinc/25/14/14/1113251414.db2.gz HNKWIILWFBMPPF-YOEHRIQHSA-N -1 1 365.351 4.061 20 0 FIADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482534906 1113289041 /nfs/dbraw/zinc/28/90/41/1113289041.db2.gz OFDYOIPLSLWUBZ-UHFFFAOYSA-N -1 1 373.250 4.434 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000482562374 1113296858 /nfs/dbraw/zinc/29/68/58/1113296858.db2.gz YANSQYSUQNFHNL-SECBINFHSA-N -1 1 370.193 4.484 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1F ZINC000171055002 1113325695 /nfs/dbraw/zinc/32/56/95/1113325695.db2.gz UAQAGNCASKDRHN-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM CSc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482669560 1113326727 /nfs/dbraw/zinc/32/67/27/1113326727.db2.gz FFMYKCYNVWVGHS-UHFFFAOYSA-N -1 1 352.253 4.437 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCOc2ccc(F)cc2)c1 ZINC000482694636 1113333386 /nfs/dbraw/zinc/33/33/86/1113333386.db2.gz OQHCSHZJESLQHZ-UHFFFAOYSA-N -1 1 368.202 4.010 20 0 FIADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)n1 ZINC000568151082 1113414343 /nfs/dbraw/zinc/41/43/43/1113414343.db2.gz JFSJJIUQZMOTLB-UHFFFAOYSA-N -1 1 352.459 4.307 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000483246253 1113471213 /nfs/dbraw/zinc/47/12/13/1113471213.db2.gz NBSXDMPVYAHCSI-MRXNPFEDSA-N -1 1 374.278 4.392 20 0 FIADMM Cc1cccc(N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)c1 ZINC000486192509 1113521342 /nfs/dbraw/zinc/52/13/42/1113521342.db2.gz OPAHXJPQFPPRDG-UHFFFAOYSA-N -1 1 371.234 4.288 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)C1(C(F)(F)F)CCCC1 ZINC000908707875 1113686973 /nfs/dbraw/zinc/68/69/73/1113686973.db2.gz NHEQEKVWXKGLDZ-UHFFFAOYSA-N -1 1 352.150 4.216 20 0 FIADMM CCOCCC1(C(=O)Nc2cccc([O-])c2Br)CCCC1 ZINC000908709052 1113687334 /nfs/dbraw/zinc/68/73/34/1113687334.db2.gz GVACQUYLTFJTQX-UHFFFAOYSA-N -1 1 356.260 4.080 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCCc2sccc21 ZINC000908709065 1113687628 /nfs/dbraw/zinc/68/76/28/1113687628.db2.gz HIQVHIFARXIGPP-JTQLQIEISA-N -1 1 352.253 4.275 20 0 FIADMM CC(C)(C)OC1CC(CC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908708985 1113687690 /nfs/dbraw/zinc/68/76/90/1113687690.db2.gz DWNZNLUDEIOQCB-UHFFFAOYSA-N -1 1 356.260 4.077 20 0 FIADMM COc1ccc(C(=O)CCCCC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC000909985058 1113800510 /nfs/dbraw/zinc/80/05/10/1113800510.db2.gz DYBUEISPDIXVHK-UHFFFAOYSA-N -1 1 363.360 4.061 20 0 FIADMM CCN(CC)[C@@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccccc1 ZINC000910947922 1113926553 /nfs/dbraw/zinc/92/65/53/1113926553.db2.gz RYARKMZWPPCLRF-GOSISDBHSA-N -1 1 372.490 4.128 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000488773632 1113992499 /nfs/dbraw/zinc/99/24/99/1113992499.db2.gz ZLIIGSJWBHWXJB-UHFFFAOYSA-N -1 1 370.287 4.385 20 0 FIADMM CC[C@H](C)c1cc(C(=O)[N-]c2cc(F)cc(Br)c2F)on1 ZINC000489388598 1114096680 /nfs/dbraw/zinc/09/66/80/1114096680.db2.gz IQBXRIDEBQGWNS-ZETCQYMHSA-N -1 1 359.170 4.481 20 0 FIADMM CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1cc(F)ccc1F ZINC000489517780 1114123026 /nfs/dbraw/zinc/12/30/26/1114123026.db2.gz KHNWRDHUHQYDSI-AWEZNQCLSA-N -1 1 370.193 4.314 20 0 FIADMM Cc1nc(-c2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2)co1 ZINC000913134934 1114299224 /nfs/dbraw/zinc/29/92/24/1114299224.db2.gz WUULEWGSZAHOLX-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)n1 ZINC000029647582 1114347439 /nfs/dbraw/zinc/34/74/39/1114347439.db2.gz LPIVKRWYTRFRMH-UHFFFAOYSA-N -1 1 369.903 4.003 20 0 FIADMM CC(C)CCCCCCNC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000029695057 1114356724 /nfs/dbraw/zinc/35/67/24/1114356724.db2.gz RYDRNGCGSJZDME-UHFFFAOYSA-N -1 1 366.556 4.392 20 0 FIADMM C[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@@H](c2ccco2)C1 ZINC000491079503 1114366258 /nfs/dbraw/zinc/36/62/58/1114366258.db2.gz ZREPNRBMWKRXLG-SMDDNHRTSA-N -1 1 364.239 4.361 20 0 FIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)n1 ZINC000588077765 1114520198 /nfs/dbraw/zinc/52/01/98/1114520198.db2.gz YLCIKHFTYSQSQI-UHFFFAOYSA-N -1 1 370.499 4.408 20 0 FIADMM Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)sc1-c1ccc(F)cc1 ZINC000588090296 1114522768 /nfs/dbraw/zinc/52/27/68/1114522768.db2.gz WPJDWWCWXYVSHQ-UHFFFAOYSA-N -1 1 370.331 4.252 20 0 FIADMM O=C(C=C1CCCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000055994913 1114579490 /nfs/dbraw/zinc/57/94/90/1114579490.db2.gz SGJKMNYYULZAGS-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM C[C@H](C[N@@H+](Cc1coc(-c2cccs2)n1)Cc1ccccc1)C(=O)[O-] ZINC000572848511 1114806070 /nfs/dbraw/zinc/80/60/70/1114806070.db2.gz NHOUUTWSSLWUGF-CQSZACIVSA-N -1 1 356.447 4.126 20 0 FIADMM C[C@H](CN(Cc1coc(-c2cccs2)n1)Cc1ccccc1)C(=O)[O-] ZINC000572848511 1114806073 /nfs/dbraw/zinc/80/60/73/1114806073.db2.gz NHOUUTWSSLWUGF-CQSZACIVSA-N -1 1 356.447 4.126 20 0 FIADMM [O-]C(c1cccc(Nc2ccncc2Cl)c1)(C(F)(F)F)C(F)(F)F ZINC001212160405 1114823064 /nfs/dbraw/zinc/82/30/64/1114823064.db2.gz RMSSPFVTTWOTLW-UHFFFAOYSA-N -1 1 370.680 4.213 20 0 FIADMM COC(=O)N(C)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000057374340 1114922442 /nfs/dbraw/zinc/92/24/42/1114922442.db2.gz JLAAHHYMKRQXBU-UHFFFAOYSA-N -1 1 350.374 4.000 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(Cl)ccc1OC1CCCC1)c1ccncc1 ZINC000573105174 1115050231 /nfs/dbraw/zinc/05/02/31/1115050231.db2.gz YEWFTKHPGIJXNS-SFHVURJKSA-N -1 1 374.868 4.362 20 0 FIADMM Cc1ccc(NC(=S)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1F ZINC000057970625 1115050258 /nfs/dbraw/zinc/05/02/58/1115050258.db2.gz OIILGUPTNWJIRA-UHFFFAOYSA-N -1 1 372.252 4.072 20 0 FIADMM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1cccc(Cl)c1F ZINC000157298860 1115064297 /nfs/dbraw/zinc/06/42/97/1115064297.db2.gz UBZDWLZMCUHRJD-UHFFFAOYSA-N -1 1 365.861 4.234 20 0 FIADMM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000591679046 1115119014 /nfs/dbraw/zinc/11/90/14/1115119014.db2.gz APFQWKJMXCJNOS-UHFFFAOYSA-N -1 1 371.487 4.045 20 0 FIADMM CN(Cc1cccc(Cl)c1)Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000058204960 1115139245 /nfs/dbraw/zinc/13/92/45/1115139245.db2.gz QMNBLSDOJSQCGT-UHFFFAOYSA-N -1 1 364.927 4.336 20 0 FIADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000046175935 1115195696 /nfs/dbraw/zinc/19/56/96/1115195696.db2.gz FXVPKYJEMARZPG-UHFFFAOYSA-N -1 1 370.365 4.153 20 0 FIADMM CCc1nc(SCc2ccc(OCC(F)(F)F)cc2)[n-]c(=O)c1C ZINC000573982346 1115227414 /nfs/dbraw/zinc/22/74/14/1115227414.db2.gz OCCYMBREEIBZAI-UHFFFAOYSA-N -1 1 358.385 4.286 20 0 FIADMM O=C([O-])C[C@H](NCc1c(F)cccc1OC(F)(F)F)c1cccs1 ZINC000669472760 1115292192 /nfs/dbraw/zinc/29/21/92/1115292192.db2.gz SLGHAAUUVVLCSX-NSHDSACASA-N -1 1 363.332 4.091 20 0 FIADMM CCOc1cc(-c2noc(CC3(CSC)CC3)n2)cc(Cl)c1[O-] ZINC000593297639 1115313876 /nfs/dbraw/zinc/31/38/76/1115313876.db2.gz IREZMQDVTOAFHZ-UHFFFAOYSA-N -1 1 354.859 4.180 20 0 FIADMM CCSCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000593740520 1115341462 /nfs/dbraw/zinc/34/14/62/1115341462.db2.gz ZKVGIWCOZBYZRK-LLVKDONJSA-N -1 1 360.317 4.111 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc(C)c1OC(F)F ZINC000594167740 1115403692 /nfs/dbraw/zinc/40/36/92/1115403692.db2.gz KPVFRMHIUWWKOX-UHFFFAOYSA-N -1 1 373.359 4.253 20 0 FIADMM CC(C)c1ccc(C2(C(=O)Nc3n[n-]c(C(F)(F)F)n3)CCCC2)cc1 ZINC000594591586 1115462770 /nfs/dbraw/zinc/46/27/70/1115462770.db2.gz OHJYMNQXHPUWHJ-UHFFFAOYSA-N -1 1 366.387 4.397 20 0 FIADMM CCOC(=O)[C@@H](C)Cc1ccc(-c2nc3sc(C)cc3c(=O)[n-]2)cc1 ZINC000594659112 1115476086 /nfs/dbraw/zinc/47/60/86/1115476086.db2.gz BIUGDMWJQNURMC-NSHDSACASA-N -1 1 356.447 4.114 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(Cl)c1 ZINC000059362153 1115490520 /nfs/dbraw/zinc/49/05/20/1115490520.db2.gz NYHIXSRWSIDTHJ-UHFFFAOYSA-N -1 1 368.861 4.189 20 0 FIADMM COC(=O)Nc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000171298480 1115861711 /nfs/dbraw/zinc/86/17/11/1115861711.db2.gz KMLXVNKZRCSMMO-UHFFFAOYSA-N -1 1 354.337 4.115 20 0 FIADMM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3c([O-])cccc3F)c12 ZINC000605437873 1115895225 /nfs/dbraw/zinc/89/52/25/1115895225.db2.gz QIKLRUJIWDNPMF-UHFFFAOYSA-N -1 1 363.348 4.295 20 0 FIADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000605499175 1115899556 /nfs/dbraw/zinc/89/95/56/1115899556.db2.gz XNMQDGODBCFKHO-UHFFFAOYSA-N -1 1 373.503 4.131 20 0 FIADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1C(F)(F)F ZINC000608354412 1116101339 /nfs/dbraw/zinc/10/13/39/1116101339.db2.gz DGDIBOXPJNWYGG-JTQLQIEISA-N -1 1 365.380 4.321 20 0 FIADMM CSCc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000608955951 1116137868 /nfs/dbraw/zinc/13/78/68/1116137868.db2.gz XAHDFBMBGKIWKT-UHFFFAOYSA-N -1 1 362.451 4.038 20 0 FIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000534206246 1116169490 /nfs/dbraw/zinc/16/94/90/1116169490.db2.gz LDDLXYDMJOSWHE-UHFFFAOYSA-N -1 1 362.282 4.188 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456575325 1116204950 /nfs/dbraw/zinc/20/49/50/1116204950.db2.gz UKOMEDPJOBOKTJ-OAHLLOKOSA-N -1 1 351.324 4.371 20 0 FIADMM CCc1cc(C(=O)Nc2ccc([O-])c(F)c2F)c2c(n1)onc2C(C)C ZINC000456775752 1116217481 /nfs/dbraw/zinc/21/74/81/1116217481.db2.gz DKHYNSLKZNKTNM-UHFFFAOYSA-N -1 1 361.348 4.145 20 0 FIADMM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc([O-])c(F)c3F)c21 ZINC000456780263 1116217777 /nfs/dbraw/zinc/21/77/77/1116217777.db2.gz BMJRTPGBSAKDLT-UHFFFAOYSA-N -1 1 373.359 4.460 20 0 FIADMM CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1cccc(Cl)c1 ZINC000016996881 1117911164 /nfs/dbraw/zinc/91/11/64/1117911164.db2.gz NSKNQNZKWNSFFT-UHFFFAOYSA-N -1 1 373.865 4.299 20 0 FIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1 ZINC000540217897 1117942164 /nfs/dbraw/zinc/94/21/64/1117942164.db2.gz ZYFDJHXWKAHVEL-UHFFFAOYSA-N -1 1 372.446 4.293 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ncsc1-c1ccccc1 ZINC000463298154 1118080059 /nfs/dbraw/zinc/08/00/59/1118080059.db2.gz VJKPLSLBXUHOJH-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM Cc1nc(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)[n-]c(=O)c1C ZINC000540711901 1118210245 /nfs/dbraw/zinc/21/02/45/1118210245.db2.gz AZQPXTNWMNCRAY-SNVBAGLBSA-N -1 1 362.842 4.356 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1OC(C)C ZINC000463790738 1118324357 /nfs/dbraw/zinc/32/43/57/1118324357.db2.gz VGZSPSDGWSLWQK-UHFFFAOYSA-N -1 1 371.458 4.436 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)cc1Cl ZINC000463783286 1118328244 /nfs/dbraw/zinc/32/82/44/1118328244.db2.gz SQODVNQKIFMCSW-UHFFFAOYSA-N -1 1 367.883 4.047 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000541025663 1118352362 /nfs/dbraw/zinc/35/23/62/1118352362.db2.gz KZEIVVNMWTYCRE-WFASDCNBSA-N -1 1 370.287 4.243 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000541025662 1118352547 /nfs/dbraw/zinc/35/25/47/1118352547.db2.gz KZEIVVNMWTYCRE-SWLSCSKDSA-N -1 1 370.287 4.243 20 0 FIADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000464215182 1118484204 /nfs/dbraw/zinc/48/42/04/1118484204.db2.gz AFDNTQUGWGMPNA-VHSXEESVSA-N -1 1 373.799 4.126 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000464357860 1118533435 /nfs/dbraw/zinc/53/34/35/1118533435.db2.gz FFQDLIIOQGSCNJ-ZETCQYMHSA-N -1 1 355.765 4.014 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(OC(C)C)c(F)c1 ZINC000542237443 1118856351 /nfs/dbraw/zinc/85/63/51/1118856351.db2.gz UQFNFFIKAGYCSY-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000303504985 1118952076 /nfs/dbraw/zinc/95/20/76/1118952076.db2.gz ZJWFCHZRPDGFGU-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)o1 ZINC000151864903 1118994163 /nfs/dbraw/zinc/99/41/63/1118994163.db2.gz UXDMNVMOUXIFHO-UHFFFAOYSA-N -1 1 371.462 4.044 20 0 FIADMM CCC(=C([O-])c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000491954465 1118996692 /nfs/dbraw/zinc/99/66/92/1118996692.db2.gz IPEDNNHFOZEFLG-QGZVFWFLSA-N -1 1 350.867 4.392 20 0 FIADMM Cc1cccc([C@@H]2CCCCN2Cc2nc(=O)c3sccc3[n-]2)c1C ZINC000173779836 1119070144 /nfs/dbraw/zinc/07/01/44/1119070144.db2.gz OHAOKAQXKRMYKA-KRWDZBQOSA-N -1 1 353.491 4.329 20 0 FIADMM CC[C@H]1C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1c1ccccc1 ZINC000174886157 1119159530 /nfs/dbraw/zinc/15/95/30/1119159530.db2.gz HXCAISQIJSKYNT-HOCLYGCPSA-N -1 1 353.491 4.000 20 0 FIADMM CC[C@@H]1C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1c1ccccc1 ZINC000174886137 1119159564 /nfs/dbraw/zinc/15/95/64/1119159564.db2.gz HXCAISQIJSKYNT-ZBFHGGJFSA-N -1 1 353.491 4.000 20 0 FIADMM CSCCCCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000784376001 1119425521 /nfs/dbraw/zinc/42/55/21/1119425521.db2.gz XKMCTRPYSKDFFQ-UHFFFAOYSA-N -1 1 362.369 4.257 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccs2)cc1 ZINC000031346128 1119468043 /nfs/dbraw/zinc/46/80/43/1119468043.db2.gz VJAAZVJQOAERHH-UHFFFAOYSA-N -1 1 372.519 4.026 20 0 FIADMM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000152828737 1119515780 /nfs/dbraw/zinc/51/57/80/1119515780.db2.gz KWUADTSKHUEBRT-SFHVURJKSA-N -1 1 372.469 4.058 20 0 FIADMM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541678 1119576878 /nfs/dbraw/zinc/57/68/78/1119576878.db2.gz KRIIYVJDBJIUKP-GOEBONIOSA-N -1 1 374.506 4.417 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1Cl ZINC000184768411 1119622460 /nfs/dbraw/zinc/62/24/60/1119622460.db2.gz BLJDBHBCCRUAKH-UHFFFAOYSA-N -1 1 355.868 4.065 20 0 FIADMM Cc1c(=O)[n-]c(SCc2ccn(-c3ccccc3)n2)nc1-c1ccccc1 ZINC000185050006 1119638328 /nfs/dbraw/zinc/63/83/28/1119638328.db2.gz IVIGAWDPDYIAKD-UHFFFAOYSA-N -1 1 374.469 4.223 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c(F)ccc(F)c2F)c1 ZINC000186171168 1119711049 /nfs/dbraw/zinc/71/10/49/1119711049.db2.gz ZVMPADRNDCIXJS-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM CCCCn1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(C)n1 ZINC000186328315 1119721947 /nfs/dbraw/zinc/72/19/47/1119721947.db2.gz ZNNHBGJEUITAHR-UHFFFAOYSA-N -1 1 366.259 4.020 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189224671 1119866432 /nfs/dbraw/zinc/86/64/32/1119866432.db2.gz LYADTMRXWCCZNE-UHFFFAOYSA-N -1 1 361.410 4.314 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2o1 ZINC000189236738 1119870948 /nfs/dbraw/zinc/87/09/48/1119870948.db2.gz CHEMCDUNXWZPOF-UHFFFAOYSA-N -1 1 370.352 4.042 20 0 FIADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(CC(F)(F)F)cc1 ZINC000189276306 1119882348 /nfs/dbraw/zinc/88/23/48/1119882348.db2.gz CYWIXYGJZZALLK-UHFFFAOYSA-N -1 1 372.393 4.202 20 0 FIADMM CCN(Cc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1)C(C)=O ZINC000192195054 1120039233 /nfs/dbraw/zinc/03/92/33/1120039233.db2.gz QOCMUUIODMJVNH-UHFFFAOYSA-N -1 1 361.829 4.058 20 0 FIADMM Cc1ccccc1-c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)n(C)n1 ZINC000192267082 1120047590 /nfs/dbraw/zinc/04/75/90/1120047590.db2.gz MKKGNGDWSFBUHV-UHFFFAOYSA-N -1 1 356.813 4.399 20 0 FIADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000494827198 1120321566 /nfs/dbraw/zinc/32/15/66/1120321566.db2.gz SHMZCGOZMMWEHO-GFCCVEGCSA-N -1 1 352.356 4.338 20 0 FIADMM CCC(CC)N(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000494841643 1120340724 /nfs/dbraw/zinc/34/07/24/1120340724.db2.gz FHONCJREFAJJNX-UHFFFAOYSA-N -1 1 374.506 4.138 20 0 FIADMM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000761840542 1120528516 /nfs/dbraw/zinc/52/85/16/1120528516.db2.gz GKTXYQSZPDIUKV-KTKRTIGZSA-N -1 1 351.859 4.133 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc([C@H]3CCCS3)no2)c([O-])c1 ZINC000762231507 1120820204 /nfs/dbraw/zinc/82/02/04/1120820204.db2.gz RSIXDJVHRDNTJR-CYBMUJFWSA-N -1 1 363.439 4.357 20 0 FIADMM CCN(CC)Cc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])o1 ZINC000915215854 1120872989 /nfs/dbraw/zinc/87/29/89/1120872989.db2.gz OOKMDTYCYXWWMN-UHFFFAOYSA-N -1 1 366.417 4.225 20 0 FIADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000762535457 1120926375 /nfs/dbraw/zinc/92/63/75/1120926375.db2.gz HNDUQTGYKKNZFA-CYBMUJFWSA-N -1 1 360.454 4.144 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC000176616820 1120931698 /nfs/dbraw/zinc/93/16/98/1120931698.db2.gz IEBDSNLLTJLOGJ-CVEARBPZSA-N -1 1 372.538 4.343 20 0 FIADMM CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000762704948 1120954020 /nfs/dbraw/zinc/95/40/20/1120954020.db2.gz ZVVBVJVENOATJL-UHFFFAOYSA-N -1 1 355.312 4.156 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000031890122 1121094981 /nfs/dbraw/zinc/09/49/81/1121094981.db2.gz CJRXDXHZWHKWSA-UHFFFAOYSA-N -1 1 369.424 4.351 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000032097080 1121100374 /nfs/dbraw/zinc/10/03/74/1121100374.db2.gz BJRXCNVSFRMPNQ-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC000032097543 1121100448 /nfs/dbraw/zinc/10/04/48/1121100448.db2.gz ZEODSHVVWOCKKZ-UHFFFAOYSA-N -1 1 358.463 4.489 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1C ZINC000032585506 1121111181 /nfs/dbraw/zinc/11/11/81/1121111181.db2.gz QTBSCACATRIQBU-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM Cc1ccccc1-c1nn(-c2ccccc2)cc1C=C1SC(=O)[N-]C1=O ZINC000915839912 1121124281 /nfs/dbraw/zinc/12/42/81/1121124281.db2.gz GKGLCHHNVFAKTR-GZTJUZNOSA-N -1 1 361.426 4.172 20 0 FIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000243388561 1121224371 /nfs/dbraw/zinc/22/43/71/1121224371.db2.gz MKWGDPJMBKMWLF-UHFFFAOYSA-N -1 1 361.463 4.463 20 0 FIADMM Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612061 1121285062 /nfs/dbraw/zinc/28/50/62/1121285062.db2.gz JRVCQOUNMLHDMK-MRXNPFEDSA-N -1 1 370.474 4.091 20 0 FIADMM CN(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000047278430 1121314131 /nfs/dbraw/zinc/31/41/31/1121314131.db2.gz CDJNXWAHFKLMSJ-UHFFFAOYSA-N -1 1 360.457 4.286 20 0 FIADMM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032631236 1121317360 /nfs/dbraw/zinc/31/73/60/1121317360.db2.gz GDLNIBMLRABBBM-HXUWFJFHSA-N -1 1 366.417 4.282 20 0 FIADMM O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401548 1121471391 /nfs/dbraw/zinc/47/13/91/1121471391.db2.gz IPEIYXIKNMNNAK-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)cc1 ZINC000064374059 1121607375 /nfs/dbraw/zinc/60/73/75/1121607375.db2.gz YNGKITZMDUFRCA-UHFFFAOYSA-N -1 1 361.463 4.115 20 0 FIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000124783121 1121720006 /nfs/dbraw/zinc/72/00/06/1121720006.db2.gz HOBDHLKUSKCOAG-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM O=C(CCCc1cc(Cl)sc1Cl)Nc1n[n-]c(C(F)(F)F)n1 ZINC000125446558 1121780736 /nfs/dbraw/zinc/78/07/36/1121780736.db2.gz XRSNCOPPKSZULP-UHFFFAOYSA-N -1 1 373.187 4.153 20 0 FIADMM CC(C)C[C@@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435772 1121827307 /nfs/dbraw/zinc/82/73/07/1121827307.db2.gz SVXPRUVVCOOKHO-CQSZACIVSA-N -1 1 352.548 4.300 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000068453553 1121829264 /nfs/dbraw/zinc/82/92/64/1121829264.db2.gz YIZIMPHEIKZDEH-UHFFFAOYSA-N -1 1 372.519 4.195 20 0 FIADMM C[C@H](c1ccco1)N(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000126326552 1121945190 /nfs/dbraw/zinc/94/51/90/1121945190.db2.gz NULRVEWAXQFTJH-SNVBAGLBSA-N -1 1 350.212 4.114 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1CC1(C)C ZINC001212220126 1122034570 /nfs/dbraw/zinc/03/45/70/1122034570.db2.gz YHLPBRKRMOJBKR-WCBMZHEXSA-N -1 1 354.274 4.236 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2ncc(-c3ccc(F)cc3)o2)[n-]1 ZINC000127045690 1122038843 /nfs/dbraw/zinc/03/88/43/1122038843.db2.gz CIGFVKVZZHZBHS-UHFFFAOYSA-N -1 1 371.315 4.287 20 0 FIADMM C[C@@H](Nc1ccc(CCO)cc1)c1cc(Br)cc(F)c1[O-] ZINC000186352310 1122045801 /nfs/dbraw/zinc/04/58/01/1122045801.db2.gz JNVUVMUZQHBPSQ-SNVBAGLBSA-N -1 1 354.219 4.002 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000067177093 1122140208 /nfs/dbraw/zinc/14/02/08/1122140208.db2.gz URAKPIYXFHZEQO-INIZCTEOSA-N -1 1 370.207 4.052 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@H](C)C2)cc1 ZINC000055485209 1122250159 /nfs/dbraw/zinc/25/01/59/1122250159.db2.gz MGPOUXIUUTZCNG-JKSUJKDBSA-N -1 1 372.538 4.249 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N3CCC(C4CCCCC4)CC3)cnc2n1 ZINC000917338268 1122267080 /nfs/dbraw/zinc/26/70/80/1122267080.db2.gz BQRUIJZULWSOIA-UHFFFAOYSA-N -1 1 353.466 4.076 20 0 FIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(C3CCCCC3)CC1)c2=O ZINC000917338268 1122267083 /nfs/dbraw/zinc/26/70/83/1122267083.db2.gz BQRUIJZULWSOIA-UHFFFAOYSA-N -1 1 353.466 4.076 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2occc2COc2ccccc2)s1 ZINC000055976362 1122285117 /nfs/dbraw/zinc/28/51/17/1122285117.db2.gz UUJHGZDGLJIXHV-UHFFFAOYSA-N -1 1 357.435 4.260 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)c1 ZINC000917763307 1122436787 /nfs/dbraw/zinc/43/67/87/1122436787.db2.gz HMABQOICLQSWKE-UHFFFAOYSA-N -1 1 353.443 4.375 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c2ccccc12 ZINC000497941290 1122482672 /nfs/dbraw/zinc/48/26/72/1122482672.db2.gz KNKCEIVIRXKRHK-UHFFFAOYSA-N -1 1 352.415 4.131 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000498007190 1122519906 /nfs/dbraw/zinc/51/99/06/1122519906.db2.gz ISUBAIFPCVJYAF-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM CC[C@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000154953048 1122963137 /nfs/dbraw/zinc/96/31/37/1122963137.db2.gz DKATVOPTUYFQCS-GOEBONIOSA-N -1 1 358.511 4.001 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(-c2ccccn2)s1 ZINC000131032417 1122966122 /nfs/dbraw/zinc/96/61/22/1122966122.db2.gz WUQYZNUMSUREAO-UHFFFAOYSA-N -1 1 362.414 4.421 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1ccccc1F ZINC000131522450 1123103481 /nfs/dbraw/zinc/10/34/81/1123103481.db2.gz AUMYTNQVAKYVDX-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM CCN(CC)C(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000920013462 1123309315 /nfs/dbraw/zinc/30/93/15/1123309315.db2.gz WEDIKFZHYFOVRZ-UHFFFAOYSA-N -1 1 362.429 4.280 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000920950419 1123540745 /nfs/dbraw/zinc/54/07/45/1123540745.db2.gz VRDIKEMOWSWFNZ-HNNXBMFYSA-N -1 1 374.440 4.163 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cc1 ZINC000174907491 1123576502 /nfs/dbraw/zinc/57/65/02/1123576502.db2.gz FRMSTVYBKXYOHM-ZBFHGGJFSA-N -1 1 372.538 4.247 20 0 FIADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135136052 1123720119 /nfs/dbraw/zinc/72/01/19/1123720119.db2.gz YPPMTZXBBNZOTE-SECBINFHSA-N -1 1 370.193 4.266 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135506215 1123768424 /nfs/dbraw/zinc/76/84/24/1123768424.db2.gz WHMJBUBCYZWFJW-UHFFFAOYSA-N -1 1 371.796 4.263 20 0 FIADMM CCCCC[C@@H](C)CC(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000175244668 1123787779 /nfs/dbraw/zinc/78/77/79/1123787779.db2.gz QHOSEWQMPWSTEC-LLVKDONJSA-N -1 1 367.544 4.070 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000078795927 1123811078 /nfs/dbraw/zinc/81/10/78/1123811078.db2.gz MKAPPJMSGDWZTP-ZDUSSCGKSA-N -1 1 363.461 4.020 20 0 FIADMM CCCCCC[C@@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068429255 1124233071 /nfs/dbraw/zinc/23/30/71/1124233071.db2.gz SCVMMNDALXTSPS-CQSZACIVSA-N -1 1 352.548 4.180 20 0 FIADMM Cc1ccccc1CCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447181 1124242516 /nfs/dbraw/zinc/24/25/16/1124242516.db2.gz NXVGSUQTRHHXOS-UHFFFAOYSA-N -1 1 372.538 4.169 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000068453617 1124248032 /nfs/dbraw/zinc/24/80/32/1124248032.db2.gz PKCAGNXFOCMXOS-UHFFFAOYSA-N -1 1 372.538 4.278 20 0 FIADMM O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000542817250 1124381970 /nfs/dbraw/zinc/38/19/70/1124381970.db2.gz UMHKRERMMYVWJQ-UHFFFAOYSA-N -1 1 369.730 4.053 20 0 FIADMM CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000616986562 1124420779 /nfs/dbraw/zinc/42/07/79/1124420779.db2.gz VYADCXRTPMLKNL-MRXNPFEDSA-N -1 1 374.506 4.056 20 0 FIADMM COC(=O)[N-]C(=S)N(c1ccc(OCC(C)C)cc1)c1ccccc1N ZINC001212290187 1124445374 /nfs/dbraw/zinc/44/53/74/1124445374.db2.gz NWVWYPKNKUKZKF-UHFFFAOYSA-N -1 1 373.478 4.083 20 0 FIADMM O=C(CCc1ccc(-c2ccccc2)[nH]1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617367172 1124523117 /nfs/dbraw/zinc/52/31/17/1124523117.db2.gz FENOWFUREFTPHG-UHFFFAOYSA-N -1 1 362.458 4.127 20 0 FIADMM Cc1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000012765284 1124572229 /nfs/dbraw/zinc/57/22/29/1124572229.db2.gz GLXLZCJWSHJJND-UHFFFAOYSA-N -1 1 365.473 4.063 20 0 FIADMM COc1ccc(-c2cc3[n-]c(CN4CCC(C)(C)C4)nc(=O)c3s2)cc1 ZINC000072828133 1124575057 /nfs/dbraw/zinc/57/50/57/1124575057.db2.gz JVSNRJSGFAAPOV-UHFFFAOYSA-N -1 1 369.490 4.304 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007056690 1124862066 /nfs/dbraw/zinc/86/20/66/1124862066.db2.gz LQGMZVBRCGBKDG-UHFFFAOYSA-N -1 1 363.382 4.108 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000215932709 1125068773 /nfs/dbraw/zinc/06/87/73/1125068773.db2.gz OSHAITMPZGGDNF-UHFFFAOYSA-N -1 1 354.233 4.370 20 0 FIADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1nccc2sccc21 ZINC000763509562 1125309646 /nfs/dbraw/zinc/30/96/46/1125309646.db2.gz KBVCLEFCGZXZFG-YFHOEESVSA-N -1 1 350.852 4.362 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000058592106 205277990 /nfs/dbraw/zinc/27/79/90/205277990.db2.gz CGIGGLDFGRVFCU-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM CC[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000602321304 567967183 /nfs/dbraw/zinc/96/71/83/567967183.db2.gz CUZJCNASWJXZGK-GOSISDBHSA-N -1 1 365.473 4.082 20 0 FIADMM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1cc(Cl)sc1Cl ZINC000065795296 568056382 /nfs/dbraw/zinc/05/63/82/568056382.db2.gz VOGKOVZCORHHLD-NXEZZACHSA-N -1 1 366.266 4.028 20 0 FIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c2)n1 ZINC000604305127 568247218 /nfs/dbraw/zinc/24/72/18/568247218.db2.gz ANLYRSIKGGNTER-UHFFFAOYSA-N -1 1 367.474 4.376 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c(Br)c1 ZINC000028195801 568520233 /nfs/dbraw/zinc/52/02/33/568520233.db2.gz XXRADFVOWWWAGM-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Br)c1 ZINC000028196045 568521201 /nfs/dbraw/zinc/52/12/01/568521201.db2.gz AZRVOVMORMMIFA-UHFFFAOYSA-N -1 1 360.660 4.212 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(Br)c1 ZINC000028198196 568565442 /nfs/dbraw/zinc/56/54/42/568565442.db2.gz ZTQWMQRJSSLGGB-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=S(=O)([N-]c1ccccc1Br)c1c(F)cccc1Cl ZINC000125258432 1121761606 /nfs/dbraw/zinc/76/16/06/1121761606.db2.gz WWFWIKQBGUOXEJ-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000182729369 1125608247 /nfs/dbraw/zinc/60/82/47/1125608247.db2.gz QNXRHSSYWGSNOR-NSHDSACASA-N -1 1 374.915 4.345 20 0 FIADMM CCOc1cc(C(=O)N2CCCc3ccc(OC)cc32)cc(Cl)c1[O-] ZINC000619934858 1125737177 /nfs/dbraw/zinc/73/71/77/1125737177.db2.gz FFNMCKPTDKCNJY-UHFFFAOYSA-N -1 1 361.825 4.046 20 0 FIADMM COc1ccc2c(c1)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])CCC2 ZINC000619938004 1125739923 /nfs/dbraw/zinc/73/99/23/1125739923.db2.gz YTTDYPCXSJQGSE-UHFFFAOYSA-N -1 1 351.324 4.013 20 0 FIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2COC)cc1 ZINC000063175526 1079555335 /nfs/dbraw/zinc/55/53/35/1079555335.db2.gz RJIJABRUDBNJML-UHFFFAOYSA-N -1 1 363.479 4.203 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1F)c1cccc(Br)c1 ZINC000683172639 1079809171 /nfs/dbraw/zinc/80/91/71/1079809171.db2.gz CFDAUKAHYHSWMA-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000092604532 1079936499 /nfs/dbraw/zinc/93/64/99/1079936499.db2.gz GIRLZWFWOWCUSX-NRFANRHFSA-N -1 1 365.404 4.023 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C3SCCS3)c2)c1 ZINC000728202898 1079989436 /nfs/dbraw/zinc/98/94/36/1079989436.db2.gz CICBOOAETGFCIY-UHFFFAOYSA-N -1 1 374.487 4.082 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3nc(C)ccc3o2)c1 ZINC000182910323 1080406971 /nfs/dbraw/zinc/40/69/71/1080406971.db2.gz JZLSBKMQEPHNFI-UHFFFAOYSA-N -1 1 361.195 4.165 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1 ZINC000180212522 1080467053 /nfs/dbraw/zinc/46/70/53/1080467053.db2.gz SREDUORRXSJXHO-UHFFFAOYSA-N -1 1 373.261 4.090 20 0 FIADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000127840639 1080684495 /nfs/dbraw/zinc/68/44/95/1080684495.db2.gz MYYGDQDMKJYFPQ-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM O=C(c1cccc([O-])c1F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001625860592 1080727762 /nfs/dbraw/zinc/72/77/62/1080727762.db2.gz IWGOMAUQRUOZRM-KRWDZBQOSA-N -1 1 371.305 4.261 20 0 FIADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652499994 1080832601 /nfs/dbraw/zinc/83/26/01/1080832601.db2.gz VVYKVBQDOICIAF-STQMWFEESA-N -1 1 365.424 4.315 20 0 FIADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)sc1Br ZINC000121002703 1080966176 /nfs/dbraw/zinc/96/61/76/1080966176.db2.gz SDONPZWIIIRVAC-UHFFFAOYSA-N -1 1 362.632 4.131 20 0 FIADMM COc1ccc(-c2cc(CSc3nc(C4CC4)cc(=O)[n-]3)on2)cc1 ZINC000683454899 1081029211 /nfs/dbraw/zinc/02/92/11/1081029211.db2.gz PDNOCLIERCTDKK-UHFFFAOYSA-N -1 1 355.419 4.016 20 0 FIADMM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000020815862 1081226985 /nfs/dbraw/zinc/22/69/85/1081226985.db2.gz LGAPJTPJJMQRTD-UHFFFAOYSA-N -1 1 374.506 4.024 20 0 FIADMM Cc1ccc(S[C@@H](C(=O)Nc2c[n-][nH]c2=O)c2ccccc2)c(C)c1 ZINC001648816483 1081237271 /nfs/dbraw/zinc/23/72/71/1081237271.db2.gz WFKVGRPKXHXCPS-QGZVFWFLSA-N -1 1 353.447 4.204 20 0 FIADMM O=c1cc(CSc2ccc(C(F)(F)F)cn2)c2ccc([O-])cc2o1 ZINC000022118681 1081280259 /nfs/dbraw/zinc/28/02/59/1081280259.db2.gz KDDVEIOCTGVRGY-UHFFFAOYSA-N -1 1 353.321 4.205 20 0 FIADMM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(F)c2[O-])CC1=O ZINC001648847490 1081288815 /nfs/dbraw/zinc/28/88/15/1081288815.db2.gz QCDJZMKNZYLKIL-KBPBESRZSA-N -1 1 370.424 4.036 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1nc(Cl)ccc1Cl ZINC000049984451 1081720011 /nfs/dbraw/zinc/72/00/11/1081720011.db2.gz MBBKPTNQXDZIAU-UHFFFAOYSA-N -1 1 365.245 4.083 20 0 FIADMM Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cc12 ZINC001167384157 1081893816 /nfs/dbraw/zinc/89/38/16/1081893816.db2.gz PLZNNEBTTHIRTH-UHFFFAOYSA-N -1 1 362.307 4.226 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)ccc1Cl ZINC000683925965 1081926825 /nfs/dbraw/zinc/92/68/25/1081926825.db2.gz BEFZGIXOHAQUAR-UHFFFAOYSA-N -1 1 362.838 4.006 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(C4CC4)cn3)n2)cc(Cl)c1[O-] ZINC000580513246 1081989809 /nfs/dbraw/zinc/98/98/09/1081989809.db2.gz OHPAMKPAHWTUOV-UHFFFAOYSA-N -1 1 357.797 4.434 20 0 FIADMM C[C@H](O[N-]C(=O)CCCc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000160792081 1082358014 /nfs/dbraw/zinc/35/80/14/1082358014.db2.gz ZUAXKTSAXOXALG-INIZCTEOSA-N -1 1 350.418 4.473 20 0 FIADMM CSc1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000188491421 1082529143 /nfs/dbraw/zinc/52/91/43/1082529143.db2.gz LUHCQBILJKRPFC-UHFFFAOYSA-N -1 1 364.275 4.222 20 0 FIADMM O=C([N-][C@@H]1CCCOc2c(F)cccc21)C(F)(F)c1cc(F)cc(F)c1 ZINC001266762581 1082679246 /nfs/dbraw/zinc/67/92/46/1082679246.db2.gz INNADXCRIOFJJI-OAHLLOKOSA-N -1 1 371.305 4.226 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC([C@H]2CCCCO2)CC1 ZINC000656768689 1082759767 /nfs/dbraw/zinc/75/97/67/1082759767.db2.gz MXSJBDOSSBLIAA-SJORKVTESA-N -1 1 372.292 4.400 20 0 FIADMM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(Br)c([O-])c1 ZINC000132867669 1083447099 /nfs/dbraw/zinc/44/70/99/1083447099.db2.gz ZENOMQSTKDFUEQ-UHFFFAOYSA-N -1 1 360.660 4.142 20 0 FIADMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000133130025 1083459836 /nfs/dbraw/zinc/45/98/36/1083459836.db2.gz MLMPSTQGKLLDFX-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM O=C(c1c[nH]cc1-c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000612170542 1083493906 /nfs/dbraw/zinc/49/39/06/1083493906.db2.gz USQPGURWTDLBJE-UHFFFAOYSA-N -1 1 374.440 4.122 20 0 FIADMM Cc1ccsc1-c1nsc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)n1 ZINC000131672687 1083495864 /nfs/dbraw/zinc/49/58/64/1083495864.db2.gz ZMLFPAKIQKRJPY-UHFFFAOYSA-N -1 1 373.459 4.248 20 0 FIADMM COc1ccc(CO)cc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001211532684 1083905768 /nfs/dbraw/zinc/90/57/68/1083905768.db2.gz ADPGTPGJYFDOOJ-UHFFFAOYSA-N -1 1 358.619 4.053 20 0 FIADMM Cc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c2ccccc12 ZINC000413883158 1084002395 /nfs/dbraw/zinc/00/23/95/1084002395.db2.gz SFJNMRZSSGFRJP-UHFFFAOYSA-N -1 1 363.461 4.180 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccoc1C(F)(F)F ZINC000685808108 1084094912 /nfs/dbraw/zinc/09/49/12/1084094912.db2.gz AOPKPTMOQVZIFB-ONEGZZNKSA-N -1 1 355.297 4.166 20 0 FIADMM CCc1nc(C)c(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)o1 ZINC000843598087 1084106355 /nfs/dbraw/zinc/10/63/55/1084106355.db2.gz PJYRBMBYRDSWCF-UHFFFAOYSA-N -1 1 363.191 4.260 20 0 FIADMM CCc1nc(S[C@@H](C)C(=O)c2ccccc2C(F)(F)F)[n-]c(=O)c1C ZINC000657263767 1084129773 /nfs/dbraw/zinc/12/97/73/1084129773.db2.gz GOXSDTYYFKXVER-JTQLQIEISA-N -1 1 370.396 4.435 20 0 FIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1occc1-c1ccc(F)cc1 ZINC000160369130 1084313047 /nfs/dbraw/zinc/31/30/47/1084313047.db2.gz QJYILUVQPMDGTE-UHFFFAOYSA-N -1 1 357.288 4.208 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(C)c1O ZINC000071977241 1084515458 /nfs/dbraw/zinc/51/54/58/1084515458.db2.gz AVHUMARKMLMTIQ-UHFFFAOYSA-N -1 1 353.443 4.477 20 0 FIADMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc2ccccc2cc1[O-] ZINC000174051993 1084723594 /nfs/dbraw/zinc/72/35/94/1084723594.db2.gz ASCSEHHCAVITAC-UHFFFAOYSA-N -1 1 366.364 4.293 20 0 FIADMM Cc1ccccc1OCCCN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000563277090 1084749663 /nfs/dbraw/zinc/74/96/63/1084749663.db2.gz CUWAGRJASWRWTP-SFHVURJKSA-N -1 1 365.832 4.314 20 0 FIADMM CC(C)n1c(CNC(=O)c2cccc(Oc3ccccc3)c2)n[n-]c1=S ZINC000066640660 1084830483 /nfs/dbraw/zinc/83/04/83/1084830483.db2.gz BLVSQLVANQCNRD-UHFFFAOYSA-N -1 1 368.462 4.244 20 0 FIADMM COc1ccc(-c2ncc(C(=O)[N-]c3c(F)cc(F)cc3F)s2)cc1 ZINC000175319499 1084921505 /nfs/dbraw/zinc/92/15/05/1084921505.db2.gz DCLORVHPROOLOW-UHFFFAOYSA-N -1 1 364.348 4.488 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000684855355 1084956882 /nfs/dbraw/zinc/95/68/82/1084956882.db2.gz ATTKXIQYDLUWEE-MISYRCLQSA-N -1 1 353.462 4.091 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000684855356 1084957053 /nfs/dbraw/zinc/95/70/53/1084957053.db2.gz ATTKXIQYDLUWEE-RLLQIKCJSA-N -1 1 353.462 4.091 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c(C)c1 ZINC000685902103 1084984530 /nfs/dbraw/zinc/98/45/30/1084984530.db2.gz AKTDTBMJHKTVFT-UHFFFAOYSA-N -1 1 358.385 4.135 20 0 FIADMM CC(C)Oc1ccccc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873189 1085007324 /nfs/dbraw/zinc/00/73/24/1085007324.db2.gz QLTMAQOQJUZHLF-UHFFFAOYSA-N -1 1 353.340 4.128 20 0 FIADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000684877052 1085018849 /nfs/dbraw/zinc/01/88/49/1085018849.db2.gz IARQEWCKJRHTIG-BBRMVZONSA-N -1 1 359.388 4.125 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1Cl ZINC000511152309 1085102545 /nfs/dbraw/zinc/10/25/45/1085102545.db2.gz YYEZKKKTULQXBZ-UHFFFAOYSA-N -1 1 373.833 4.077 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000152699126 1085112154 /nfs/dbraw/zinc/11/21/54/1085112154.db2.gz WUILCXGMDZDUFD-IRXDYDNUSA-N -1 1 370.522 4.001 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000152699958 1085113556 /nfs/dbraw/zinc/11/35/56/1085113556.db2.gz MENFZMNGILZVFN-SJORKVTESA-N -1 1 370.522 4.001 20 0 FIADMM CC(C)(C)/C=C\C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000255548460 1085736346 /nfs/dbraw/zinc/73/63/46/1085736346.db2.gz BNWXBUVBYPTQRE-SEYXRHQNSA-N -1 1 358.463 4.028 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c1 ZINC000582943594 1085951626 /nfs/dbraw/zinc/95/16/26/1085951626.db2.gz BERUDDPXMCREPT-UHFFFAOYSA-N -1 1 360.435 4.151 20 0 FIADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000652496199 1086121018 /nfs/dbraw/zinc/12/10/18/1086121018.db2.gz NZHYIYRKJAMJIM-AWEZNQCLSA-N -1 1 351.874 4.206 20 0 FIADMM CC(C)C(=C([O-])Nc1nc(-c2cccnc2)ns1)c1cccc(Cl)c1 ZINC000535928137 1086185625 /nfs/dbraw/zinc/18/56/25/1086185625.db2.gz FMWOLIPFFRSSMN-OAHLLOKOSA-N -1 1 372.881 4.054 20 0 FIADMM CC(C)C(=C([O-])Nc1nc(-c2cccnc2)ns1)c1cccc(Cl)c1 ZINC000535928125 1086186525 /nfs/dbraw/zinc/18/65/25/1086186525.db2.gz FMWOLIPFFRSSMN-HNNXBMFYSA-N -1 1 372.881 4.054 20 0 FIADMM CCCn1nccc1CN[C@@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000663260410 1086340022 /nfs/dbraw/zinc/34/00/22/1086340022.db2.gz SRMYYXCQBGWUQO-INIZCTEOSA-N -1 1 370.280 4.296 20 0 FIADMM O=C([O-])CC[C@H](CNCc1csc(Cl)c1Cl)C(F)(F)F ZINC000663261548 1086342885 /nfs/dbraw/zinc/34/28/85/1086342885.db2.gz KVBSAMMSEWYEHB-SSDOTTSWSA-N -1 1 350.189 4.188 20 0 FIADMM Cc1cc(C)n(Cc2cccc(-c3noc(-c4cc(F)ccc4[O-])n3)c2)n1 ZINC000184856016 1086363213 /nfs/dbraw/zinc/36/32/13/1086363213.db2.gz DOZSPJKVYVBNQS-UHFFFAOYSA-N -1 1 364.380 4.110 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c([O-])c1 ZINC000184851926 1086363556 /nfs/dbraw/zinc/36/35/56/1086363556.db2.gz MVSYKUZTONIFJH-UHFFFAOYSA-N -1 1 361.357 4.305 20 0 FIADMM O=C([O-])c1ccc(-c2nc(CN3CC4CC3(c3ccccc3)C4)co2)cc1 ZINC000663317000 1086404526 /nfs/dbraw/zinc/40/45/26/1086404526.db2.gz JSSQKGTYSCXCEO-UHFFFAOYSA-N -1 1 360.413 4.161 20 0 FIADMM Cc1ccc(CCCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000080001347 1086503155 /nfs/dbraw/zinc/50/31/55/1086503155.db2.gz JORKQMGFGKPMSG-UHFFFAOYSA-N -1 1 371.502 4.206 20 0 FIADMM O=C(NCC(C1CCC1)C1CCC1)c1ccc(Br)c([O-])c1 ZINC001648935991 1086634341 /nfs/dbraw/zinc/63/43/41/1086634341.db2.gz NGIMBKJUFAHLHM-UHFFFAOYSA-N -1 1 352.272 4.101 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3oc(-c4ccccc4)nc3C)[nH][n-]2)s1 ZINC000525642907 1086676666 /nfs/dbraw/zinc/67/66/66/1086676666.db2.gz MUXSOUJIGCJDAX-UHFFFAOYSA-N -1 1 364.430 4.084 20 0 FIADMM CCc1nc(S[C@@H](C)C(=O)c2ccc(OC)c(Cl)c2)[n-]c(=O)c1C ZINC000583451950 1086692244 /nfs/dbraw/zinc/69/22/44/1086692244.db2.gz NWEIFCXFZCODNT-JTQLQIEISA-N -1 1 366.870 4.079 20 0 FIADMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c(F)ccc([O-])c1F ZINC000536100265 1086911655 /nfs/dbraw/zinc/91/16/55/1086911655.db2.gz XHDDYKWHUPVZEU-MRVPVSSYSA-N -1 1 360.187 4.338 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3C)c2)cs1 ZINC000022842950 1086947785 /nfs/dbraw/zinc/94/77/85/1086947785.db2.gz ADAIPIQDMBPHRH-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM CC[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000126991969 1086973870 /nfs/dbraw/zinc/97/38/70/1086973870.db2.gz GKNZZXOLBKUUML-HXUWFJFHSA-N -1 1 369.436 4.146 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(-c2ccccc2F)n1 ZINC000144949801 1087493012 /nfs/dbraw/zinc/49/30/12/1087493012.db2.gz IDVYZVOZDXISSE-UHFFFAOYSA-N -1 1 372.406 4.313 20 0 FIADMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000263397797 1087579104 /nfs/dbraw/zinc/57/91/04/1087579104.db2.gz HDPIXBXILMPQSF-SNVBAGLBSA-N -1 1 354.269 4.083 20 0 FIADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000263397797 1087579105 /nfs/dbraw/zinc/57/91/05/1087579105.db2.gz HDPIXBXILMPQSF-SNVBAGLBSA-N -1 1 354.269 4.083 20 0 FIADMM CCn1cnnc1-c1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000171741087 1087585662 /nfs/dbraw/zinc/58/56/62/1087585662.db2.gz NIWSQSDPIWXTEH-UHFFFAOYSA-N -1 1 358.401 4.076 20 0 FIADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000647372826 1087787992 /nfs/dbraw/zinc/78/79/92/1087787992.db2.gz VTLZRKKYWIYJSD-UHFFFAOYSA-N -1 1 360.498 4.059 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1cccc2cnccc21 ZINC000685916462 1087917707 /nfs/dbraw/zinc/91/77/07/1087917707.db2.gz GZMAISZZHGSHHN-UHFFFAOYSA-N -1 1 361.426 4.098 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(F)cc2OCC)cc(Cl)c1[O-] ZINC000186642209 1087959070 /nfs/dbraw/zinc/95/90/70/1087959070.db2.gz CXWHGBSYSJHAFG-UHFFFAOYSA-N -1 1 353.777 4.234 20 0 FIADMM C[C@@H]1CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424419321 1087971871 /nfs/dbraw/zinc/97/18/71/1087971871.db2.gz OGFJRNIAYZAGRF-RNCFNFMXSA-N -1 1 369.305 4.409 20 0 FIADMM C[C@H]1CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424419322 1087972011 /nfs/dbraw/zinc/97/20/11/1087972011.db2.gz OGFJRNIAYZAGRF-TVQRCGJNSA-N -1 1 369.305 4.409 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCC[C@H](SCC)C2)cc(Cl)c1[O-] ZINC000186850331 1088010062 /nfs/dbraw/zinc/01/00/62/1088010062.db2.gz DNZYSBARVABAGL-STQMWFEESA-N -1 1 357.903 4.238 20 0 FIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000505275882 1088313490 /nfs/dbraw/zinc/31/34/90/1088313490.db2.gz YBJVCHFFHADCBO-UHFFFAOYSA-N -1 1 372.309 4.362 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000513817678 1088411508 /nfs/dbraw/zinc/41/15/08/1088411508.db2.gz MQFYSZNYXKXYLG-UHFFFAOYSA-N -1 1 356.447 4.440 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc(C4CCC4)cc3)nc2)[n-]c(=O)c1C ZINC000514583767 1089239076 /nfs/dbraw/zinc/23/90/76/1089239076.db2.gz MGJYNSLKEMMMNJ-UHFFFAOYSA-N -1 1 360.461 4.163 20 0 FIADMM Cc1ccc2nc(C)c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cc2c1 ZINC000613667453 1089255003 /nfs/dbraw/zinc/25/50/03/1089255003.db2.gz UNTKPONIPYECAV-UHFFFAOYSA-N -1 1 358.401 4.200 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000613668448 1089265692 /nfs/dbraw/zinc/26/56/92/1089265692.db2.gz ULVYWRNAKDXPTF-RYUDHWBXSA-N -1 1 353.344 4.090 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1C ZINC000435718651 1089906844 /nfs/dbraw/zinc/90/68/44/1089906844.db2.gz YCZKUNRMKADODZ-UHFFFAOYSA-N -1 1 357.834 4.214 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c(C)s1 ZINC000515360709 1089986847 /nfs/dbraw/zinc/98/68/47/1089986847.db2.gz LVVNVFCGODSGCV-UHFFFAOYSA-N -1 1 365.398 4.107 20 0 FIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1Cl ZINC000228315384 1090332289 /nfs/dbraw/zinc/33/22/89/1090332289.db2.gz KFPPNAZZMNFYNA-VIFPVBQESA-N -1 1 354.631 4.299 20 0 FIADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(Br)cc1O ZINC000613705809 1090364625 /nfs/dbraw/zinc/36/46/25/1090364625.db2.gz PXCIRZNUBZOMBS-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM COc1cc2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2cc1OC ZINC001625896432 1090719002 /nfs/dbraw/zinc/71/90/02/1090719002.db2.gz MJCODXUSOKJEGZ-UHFFFAOYSA-N -1 1 359.328 4.093 20 0 FIADMM CCCSC[C@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000417584582 1090932590 /nfs/dbraw/zinc/93/25/90/1090932590.db2.gz ODLNJNVSRIUSAT-AWEZNQCLSA-N -1 1 370.927 4.150 20 0 FIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc21 ZINC000500304954 1091250216 /nfs/dbraw/zinc/25/02/16/1091250216.db2.gz PENYRNYIUZSEKJ-UHFFFAOYSA-N -1 1 370.261 4.164 20 0 FIADMM CC(C)(C)C(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000432003549 1091540948 /nfs/dbraw/zinc/54/09/48/1091540948.db2.gz RIYIYGIEGJVGEV-UHFFFAOYSA-N -1 1 374.506 4.498 20 0 FIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000511710402 1091554878 /nfs/dbraw/zinc/55/48/78/1091554878.db2.gz PDGRUGJILKFDPR-UHFFFAOYSA-N -1 1 373.396 4.431 20 0 FIADMM COC(=O)c1c[n-]c(S[C@@H]2CCCc3ccc(Br)cc32)n1 ZINC000432673034 1092052935 /nfs/dbraw/zinc/05/29/35/1092052935.db2.gz UGOUUZXIDKNSNY-CYBMUJFWSA-N -1 1 367.268 4.129 20 0 FIADMM CCOC(=O)c1cnc(C(C)=CC(C)=Cc2ccc(Cl)cc2)[n-]c1=O ZINC000432702597 1092156997 /nfs/dbraw/zinc/15/69/97/1092156997.db2.gz IGMTWADXVBUYNP-DSEBWEOJSA-N -1 1 358.825 4.107 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2c(Cl)oc3ccccc23)[n-]c1=O ZINC000432705566 1092162491 /nfs/dbraw/zinc/16/24/91/1092162491.db2.gz GWMXOTFETOMFAC-CSKARUKUSA-N -1 1 358.781 4.319 20 0 FIADMM CCN(CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000093094532 1092299801 /nfs/dbraw/zinc/29/98/01/1092299801.db2.gz FASNAZLKJNBVTB-UHFFFAOYSA-N -1 1 367.474 4.092 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nnc([C@@H](CC)c3ccccc3)s2)co1 ZINC000509532094 1092338782 /nfs/dbraw/zinc/33/87/82/1092338782.db2.gz HZSYNLXQEHEHPF-ZDUSSCGKSA-N -1 1 356.451 4.273 20 0 FIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442217367 1092508275 /nfs/dbraw/zinc/50/82/75/1092508275.db2.gz UORZHBJTKRCWHZ-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM COCCn1nc(C)c([N-]c2nc3cc(Cl)cc(Cl)c3o2)c1C ZINC000432822186 1092538173 /nfs/dbraw/zinc/53/81/73/1092538173.db2.gz LOPBPPONDSYXAS-UHFFFAOYSA-N -1 1 355.225 4.338 20 0 FIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)c2)n1 ZINC000467932918 1092560008 /nfs/dbraw/zinc/56/00/08/1092560008.db2.gz DIJSUEAQAPYCJD-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000521275831 1092616516 /nfs/dbraw/zinc/61/65/16/1092616516.db2.gz NUYOBZOSGXBFDX-KRWDZBQOSA-N -1 1 353.315 4.122 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)Cc3cccc(C(F)(F)F)c3)[nH][n-]2)s1 ZINC000500829817 1092624476 /nfs/dbraw/zinc/62/44/76/1092624476.db2.gz ACDOCADEGBCJDF-UHFFFAOYSA-N -1 1 365.380 4.069 20 0 FIADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000442740201 1092752405 /nfs/dbraw/zinc/75/24/05/1092752405.db2.gz RYOUZSGHVKMAKZ-NSHDSACASA-N -1 1 351.805 4.417 20 0 FIADMM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000521571517 1092764673 /nfs/dbraw/zinc/76/46/73/1092764673.db2.gz SUMFANUPMBPAPK-JTQLQIEISA-N -1 1 369.895 4.186 20 0 FIADMM CC(C)c1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c2ccccc2n1 ZINC000067071972 1092773241 /nfs/dbraw/zinc/77/32/41/1092773241.db2.gz OVIUYSAWMLXKPN-UHFFFAOYSA-N -1 1 369.494 4.123 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000893993705 1092798945 /nfs/dbraw/zinc/79/89/45/1092798945.db2.gz SVLLMRSCINGXCG-UHFFFAOYSA-N -1 1 372.425 4.129 20 0 FIADMM COc1cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000442945008 1092879249 /nfs/dbraw/zinc/87/92/49/1092879249.db2.gz PFUWIGVHIRTUIF-HOCLYGCPSA-N -1 1 359.853 4.195 20 0 FIADMM COc1cc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)cc(Cl)c1[O-] ZINC000442979492 1092905209 /nfs/dbraw/zinc/90/52/09/1092905209.db2.gz PCKVLZDCQYGEQH-UHFFFAOYSA-N -1 1 358.781 4.270 20 0 FIADMM COc1cc(C(=O)Nc2cc(F)c(SC)c(F)c2)cc(Cl)c1[O-] ZINC000443116064 1092951006 /nfs/dbraw/zinc/95/10/06/1092951006.db2.gz OUKCMEGUCJVEMX-UHFFFAOYSA-N -1 1 359.781 4.307 20 0 FIADMM COc1cc(C(=O)N[C@@H](c2cccc(C)c2)C(F)(F)F)cc(Cl)c1[O-] ZINC000443124281 1092954465 /nfs/dbraw/zinc/95/44/65/1092954465.db2.gz RNCPMSGZCGAMQH-HNNXBMFYSA-N -1 1 373.758 4.396 20 0 FIADMM COc1cc(C(=O)N[C@H](C)CSc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000443133846 1092961286 /nfs/dbraw/zinc/96/12/86/1092961286.db2.gz OKTZZJXRHBXHSD-GFCCVEGCSA-N -1 1 365.882 4.273 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)c(C)c1 ZINC000521897056 1092970341 /nfs/dbraw/zinc/97/03/41/1092970341.db2.gz HKWICUIROXOJIU-UHFFFAOYSA-N -1 1 372.412 4.189 20 0 FIADMM CCOc1cc(-c2nc(COc3ccccc3C)no2)cc(Cl)c1[O-] ZINC000443213561 1092985897 /nfs/dbraw/zinc/98/58/97/1092985897.db2.gz QKEICCVOPIVJRB-UHFFFAOYSA-N -1 1 360.797 4.382 20 0 FIADMM COc1cc(-c2nc(Cc3cccc(Cl)c3F)no2)cc(Cl)c1[O-] ZINC000443214156 1092986495 /nfs/dbraw/zinc/98/64/95/1092986495.db2.gz KBTNUDJIDFJHFI-UHFFFAOYSA-N -1 1 369.179 4.488 20 0 FIADMM CCOc1cc(-c2nc(-c3cc(F)cc(F)c3)no2)cc(Cl)c1[O-] ZINC000443199447 1092987674 /nfs/dbraw/zinc/98/76/74/1092987674.db2.gz REHSDFLLUXBRED-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000614152554 1092994223 /nfs/dbraw/zinc/99/42/23/1092994223.db2.gz IPNMDDVBISJDEL-AWEZNQCLSA-N -1 1 370.880 4.101 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000443279607 1093030626 /nfs/dbraw/zinc/03/06/26/1093030626.db2.gz GQWPFPBVXPQWLF-HNNXBMFYSA-N -1 1 363.816 4.041 20 0 FIADMM COc1cc(C(=O)NCc2ccccc2OCC(C)C)cc(Cl)c1[O-] ZINC000443305054 1093042678 /nfs/dbraw/zinc/04/26/78/1093042678.db2.gz BZJIMYLCIUREMT-UHFFFAOYSA-N -1 1 363.841 4.019 20 0 FIADMM CCc1c(C)[n-]n(-c2ncnc3scc(-c4ccc(C)cc4)c32)c1=O ZINC000614186131 1093092837 /nfs/dbraw/zinc/09/28/37/1093092837.db2.gz VOJVTYYPBCAJDZ-AWEZNQCLSA-N -1 1 350.447 4.415 20 0 FIADMM CCc1c(C)[n-]n(-c2ncnc3scc(-c4ccc(C)cc4)c32)c1=O ZINC000614186132 1093093090 /nfs/dbraw/zinc/09/30/90/1093093090.db2.gz VOJVTYYPBCAJDZ-CQSZACIVSA-N -1 1 350.447 4.415 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c1 ZINC000443406067 1093108693 /nfs/dbraw/zinc/10/86/93/1093108693.db2.gz LLGLTTAZODTIGQ-UHFFFAOYSA-N -1 1 370.430 4.073 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c(OC)c1 ZINC000443415085 1093110926 /nfs/dbraw/zinc/11/09/26/1093110926.db2.gz FADUFMSWOOQNNO-UHFFFAOYSA-N -1 1 363.479 4.111 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3ccc(F)s3)n2)cc1 ZINC001126364055 1093178997 /nfs/dbraw/zinc/17/89/97/1093178997.db2.gz CDQHTSOLMYKXDC-UHFFFAOYSA-N -1 1 351.453 4.380 20 0 FIADMM CSc1ccccc1CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000473475234 1093230397 /nfs/dbraw/zinc/23/03/97/1093230397.db2.gz NXIBGSNDZXCHLR-UHFFFAOYSA-N -1 1 366.280 4.149 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2ccoc21 ZINC001211763551 1093257577 /nfs/dbraw/zinc/25/75/77/1093257577.db2.gz DWWRSMBUZVUAKR-HNNXBMFYSA-N -1 1 373.327 4.154 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)c1 ZINC000727357362 1093259905 /nfs/dbraw/zinc/25/99/05/1093259905.db2.gz MTGRFPFPPMNADP-UHFFFAOYSA-N -1 1 369.442 4.075 20 0 FIADMM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094124747 1093312566 /nfs/dbraw/zinc/31/25/66/1093312566.db2.gz URGPATABQAWTQF-ZDUSSCGKSA-N -1 1 354.381 4.078 20 0 FIADMM CCCCOc1cccc(F)c1Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC001211795057 1093333912 /nfs/dbraw/zinc/33/39/12/1093333912.db2.gz VNGNXNXFRZIROK-UHFFFAOYSA-N -1 1 367.442 4.247 20 0 FIADMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc(Cl)o1 ZINC000032530993 1093348505 /nfs/dbraw/zinc/34/85/05/1093348505.db2.gz SABNHNCLVFDZCG-UHFFFAOYSA-N -1 1 369.830 4.468 20 0 FIADMM COc1cc(C(=O)N(C)Cc2ccccc2SC)cc(Cl)c1[O-] ZINC000473480732 1093376970 /nfs/dbraw/zinc/37/69/70/1093376970.db2.gz SRERRFGNFKQECD-UHFFFAOYSA-N -1 1 351.855 4.048 20 0 FIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000512834398 1093413086 /nfs/dbraw/zinc/41/30/86/1093413086.db2.gz QOYMGHFHDHWVAF-CYBMUJFWSA-N -1 1 374.437 4.352 20 0 FIADMM Cc1csc(Sc2ccc(NC(=O)c3cncc([O-])c3)c(C)c2)n1 ZINC000550565198 1093443593 /nfs/dbraw/zinc/44/35/93/1093443593.db2.gz RUYWJXHKZHRSEP-UHFFFAOYSA-N -1 1 357.460 4.264 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)n1 ZINC000011443505 1093482896 /nfs/dbraw/zinc/48/28/96/1093482896.db2.gz PAJMRDGGUZEWSY-KBPBESRZSA-N -1 1 373.522 4.355 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1Cl ZINC000429912844 1093531230 /nfs/dbraw/zinc/53/12/30/1093531230.db2.gz XZYGGAWHWNYBIX-SECBINFHSA-N -1 1 358.237 4.016 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c2ccccc12 ZINC000512946626 1093593905 /nfs/dbraw/zinc/59/39/05/1093593905.db2.gz CDSPPIYXEZBVJK-UHFFFAOYSA-N -1 1 371.458 4.362 20 0 FIADMM Cc1ccccc1-c1csc([N-]C(=O)c2noc(-c3ccccc3)n2)n1 ZINC000433339528 1093604990 /nfs/dbraw/zinc/60/49/90/1093604990.db2.gz AKRFOLCQFHAGAT-UHFFFAOYSA-N -1 1 362.414 4.421 20 0 FIADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccc(Br)c1 ZINC001141833655 1093668993 /nfs/dbraw/zinc/66/89/93/1093668993.db2.gz KBVHWYWEFNZSQB-QMMMGPOBSA-N -1 1 356.166 4.175 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)c1 ZINC000433523159 1093878820 /nfs/dbraw/zinc/87/88/20/1093878820.db2.gz ZYQWUBISJJTZTQ-UHFFFAOYSA-N -1 1 371.462 4.223 20 0 FIADMM Cn1cc(-c2cc(F)ccc2NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000433785359 1094100575 /nfs/dbraw/zinc/10/05/75/1094100575.db2.gz QPNWTMDXSONYPR-UHFFFAOYSA-N -1 1 360.776 4.229 20 0 FIADMM COc1ccc(NC(=O)c2ccccc2[O-])cc1NC(=O)C1CCCCC1 ZINC000116038372 1094369550 /nfs/dbraw/zinc/36/95/50/1094369550.db2.gz QLTSHMKJVYSRQU-UHFFFAOYSA-N -1 1 368.433 4.172 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2ccccc2Cl)CC1 ZINC000017119633 1094628262 /nfs/dbraw/zinc/62/82/62/1094628262.db2.gz BJFKLVBPVNHLKU-UHFFFAOYSA-N -1 1 366.848 4.161 20 0 FIADMM CCOc1cc(-c2nc([C@@H](C)OCC(F)(F)F)no2)cc(Cl)c1[O-] ZINC000896610744 1094804202 /nfs/dbraw/zinc/80/42/02/1094804202.db2.gz JGQAMBMKTYPCJH-SSDOTTSWSA-N -1 1 366.723 4.134 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(Cl)cc1C(F)(F)F ZINC000474870131 1094822348 /nfs/dbraw/zinc/82/23/48/1094822348.db2.gz RVVJYLQFMASKFA-UHFFFAOYSA-N -1 1 371.771 4.485 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c(C)n1 ZINC000414463794 1095030887 /nfs/dbraw/zinc/03/08/87/1095030887.db2.gz WPKMGAPPHRBHHC-UHFFFAOYSA-N -1 1 358.385 4.135 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000501981406 1095033951 /nfs/dbraw/zinc/03/39/51/1095033951.db2.gz DENHXLCWKNYVGT-INIZCTEOSA-N -1 1 365.260 4.302 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000501981406 1095033964 /nfs/dbraw/zinc/03/39/64/1095033964.db2.gz DENHXLCWKNYVGT-INIZCTEOSA-N -1 1 365.260 4.302 20 0 FIADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1c(F)cccc1Cl ZINC000444047677 1095640692 /nfs/dbraw/zinc/64/06/92/1095640692.db2.gz AINVKPJGBHOYCL-UHFFFAOYSA-N -1 1 357.838 4.051 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000502686406 1095715919 /nfs/dbraw/zinc/71/59/19/1095715919.db2.gz JXPGUPLZOPYBNP-CAPXZKIUSA-N -1 1 363.417 4.241 20 0 FIADMM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1c(Cl)cccc1Cl ZINC000522970478 1095928771 /nfs/dbraw/zinc/92/87/71/1095928771.db2.gz FAEMJBNEGNBBHR-UHFFFAOYSA-N -1 1 360.237 4.100 20 0 FIADMM CC[C@H](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000502911423 1095939968 /nfs/dbraw/zinc/93/99/68/1095939968.db2.gz HKBWPBVVFXHWHU-GJZGRUSLSA-N -1 1 360.479 4.108 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000614731628 1095947859 /nfs/dbraw/zinc/94/78/59/1095947859.db2.gz UPMQOIRRNDZUBM-UHFFFAOYSA-N -1 1 361.463 4.115 20 0 FIADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502932633 1095960768 /nfs/dbraw/zinc/96/07/68/1095960768.db2.gz YBRCYFXZRKUYDX-HUUCEWRRSA-N -1 1 360.479 4.108 20 0 FIADMM C[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1OCc1ccccc1Cl ZINC000414686251 1096471587 /nfs/dbraw/zinc/47/15/87/1096471587.db2.gz UZVPXIKWXOKHMW-LBPRGKRZSA-N -1 1 368.260 4.477 20 0 FIADMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc([O-])c1F ZINC001143558750 1096642608 /nfs/dbraw/zinc/64/26/08/1096642608.db2.gz VYQGSBQRXAWLFH-UHFFFAOYSA-N -1 1 353.315 4.012 20 0 FIADMM CC[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(OC)cc1 ZINC000504420985 1096773430 /nfs/dbraw/zinc/77/34/30/1096773430.db2.gz CHCOSOYQNLFFED-AWEZNQCLSA-N -1 1 365.433 4.313 20 0 FIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c2)n1 ZINC000515630797 1098779251 /nfs/dbraw/zinc/77/92/51/1098779251.db2.gz JYGTWZAELVNDPS-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccccc2C(F)(F)F)n1 ZINC000436202277 1098811519 /nfs/dbraw/zinc/81/15/19/1098811519.db2.gz DNOLJZSHXLMEJV-VIFPVBQESA-N -1 1 356.369 4.127 20 0 FIADMM O=c1cc(C2CC2)nc(SCc2coc(-c3ccc(F)c(F)c3)n2)[n-]1 ZINC000436241598 1098847673 /nfs/dbraw/zinc/84/76/73/1098847673.db2.gz QUGVPWDKBDIXQQ-UHFFFAOYSA-N -1 1 361.373 4.285 20 0 FIADMM CCCN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C)c1ccccc1OC ZINC000533251250 1098911927 /nfs/dbraw/zinc/91/19/27/1098911927.db2.gz XCIXWUOXXJPKJD-CYBMUJFWSA-N -1 1 357.479 4.379 20 0 FIADMM Cc1ncc(-c2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2)o1 ZINC000436513864 1099073178 /nfs/dbraw/zinc/07/31/78/1099073178.db2.gz NHXUVDSZGKBWCL-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000436515339 1099074806 /nfs/dbraw/zinc/07/48/06/1099074806.db2.gz VGAFXHLPTXBPNM-UHFFFAOYSA-N -1 1 361.266 4.254 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCCC[C@H]3OC)n2)cc(Cl)c1[O-] ZINC000436519803 1099075777 /nfs/dbraw/zinc/07/57/77/1099075777.db2.gz BJZNUABFVPVPAB-DGCLKSJQSA-N -1 1 352.818 4.167 20 0 FIADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436547520 1099094372 /nfs/dbraw/zinc/09/43/72/1099094372.db2.gz QVLNYACCMKKNHW-GZMMTYOYSA-N -1 1 355.278 4.214 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c([O-])c1 ZINC000436555951 1099100422 /nfs/dbraw/zinc/10/04/22/1099100422.db2.gz MJRUMDGEJPJDDL-UHFFFAOYSA-N -1 1 367.449 4.396 20 0 FIADMM CCc1ccc([C@H]2CN(C(=O)c3cc4ccccc4cc3[O-])CCO2)cc1 ZINC000436543400 1099108835 /nfs/dbraw/zinc/10/88/35/1099108835.db2.gz HLRXXSYPRPSWHC-JOCHJYFZSA-N -1 1 361.441 4.322 20 0 FIADMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(Br)ccc1[O-] ZINC000436561943 1099115390 /nfs/dbraw/zinc/11/53/90/1099115390.db2.gz DPFCUDIWJYNPSZ-UHFFFAOYSA-N -1 1 373.206 4.426 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccccc1)CC(F)F ZINC000436571225 1099121295 /nfs/dbraw/zinc/12/12/95/1099121295.db2.gz CDVGMQTXQUMFNE-UHFFFAOYSA-N -1 1 370.193 4.062 20 0 FIADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000436588874 1099135495 /nfs/dbraw/zinc/13/54/95/1099135495.db2.gz IXGYTMWGIKYOFV-SZNDQCEHSA-N -1 1 365.404 4.287 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1cc(C)cc(C)c1 ZINC000436630990 1099157930 /nfs/dbraw/zinc/15/79/30/1099157930.db2.gz RLJKQXJHPYUMNV-UHFFFAOYSA-N -1 1 355.825 4.409 20 0 FIADMM COc1cc(-c2noc([C@@H]3CC[C@H](C)C3)n2)cc(Br)c1[O-] ZINC000445394261 1099176263 /nfs/dbraw/zinc/17/62/63/1099176263.db2.gz RVMNKWUXUGIWKG-DTWKUNHWSA-N -1 1 353.216 4.117 20 0 FIADMM CN(CCc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436656881 1099179351 /nfs/dbraw/zinc/17/93/51/1099179351.db2.gz RWLOJRVFEUALPX-UHFFFAOYSA-N -1 1 368.658 4.123 20 0 FIADMM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Cl)cc1[O-] ZINC000436648466 1099190437 /nfs/dbraw/zinc/19/04/37/1099190437.db2.gz LYSOZNWORZMSHV-UHFFFAOYSA-N -1 1 373.758 4.055 20 0 FIADMM [O-]c1ccc(-c2nc(Cc3cc(Br)ccc3F)no2)c(F)c1 ZINC000436687749 1099221002 /nfs/dbraw/zinc/22/10/02/1099221002.db2.gz JAMMJHZEBZOFGE-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM COc1cc(Br)ccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436688194 1099221752 /nfs/dbraw/zinc/22/17/52/1099221752.db2.gz KRYHWZHSDUTGIG-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1OCCc2sccc21 ZINC000436690821 1099225414 /nfs/dbraw/zinc/22/54/14/1099225414.db2.gz VVFSDBHASXQAEQ-HXPMCKFVSA-N -1 1 353.443 4.039 20 0 FIADMM CC(=O)N1CCCc2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc21 ZINC000436710618 1099243556 /nfs/dbraw/zinc/24/35/56/1099243556.db2.gz WOBSNWILJGCXFZ-UHFFFAOYSA-N -1 1 360.413 4.097 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c([O-])c1 ZINC000436757967 1099271960 /nfs/dbraw/zinc/27/19/60/1099271960.db2.gz JXLSRSVCPZZYLP-UHFFFAOYSA-N -1 1 352.434 4.004 20 0 FIADMM C/C=C/C=C/c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436758853 1099273244 /nfs/dbraw/zinc/27/32/44/1099273244.db2.gz ZXOLGYMYAHKSPB-TWTPFVCWSA-N -1 1 351.200 4.193 20 0 FIADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436758774 1099273629 /nfs/dbraw/zinc/27/36/29/1099273629.db2.gz ORTUNWFPFVVIGC-VIFPVBQESA-N -1 1 365.767 4.281 20 0 FIADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436760370 1099277493 /nfs/dbraw/zinc/27/74/93/1099277493.db2.gz OWCAPONRAIPRNM-VIFPVBQESA-N -1 1 370.193 4.266 20 0 FIADMM CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436761881 1099277926 /nfs/dbraw/zinc/27/79/26/1099277926.db2.gz ATFPRCUDURFLBA-UHFFFAOYSA-N -1 1 366.339 4.258 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000436778889 1099300103 /nfs/dbraw/zinc/30/01/03/1099300103.db2.gz UMQRVUXIGXFPJU-UHFFFAOYSA-N -1 1 371.399 4.365 20 0 FIADMM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436765806 1099307129 /nfs/dbraw/zinc/30/71/29/1099307129.db2.gz YXIYFCKEOIPDAX-UHFFFAOYSA-N -1 1 364.323 4.012 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000436767118 1099308047 /nfs/dbraw/zinc/30/80/47/1099308047.db2.gz GCXGLGYNOKCLEU-OAHLLOKOSA-N -1 1 374.278 4.250 20 0 FIADMM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccccc1[O-] ZINC000436784004 1099315576 /nfs/dbraw/zinc/31/55/76/1099315576.db2.gz JLDKGURFONEGKS-UHFFFAOYSA-N -1 1 352.434 4.015 20 0 FIADMM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436790636 1099322729 /nfs/dbraw/zinc/32/27/29/1099322729.db2.gz HDIJKAZBHZQBFM-UHFFFAOYSA-N -1 1 350.393 4.256 20 0 FIADMM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436816796 1099327915 /nfs/dbraw/zinc/32/79/15/1099327915.db2.gz POTBRRUVNWGHEO-UHFFFAOYSA-N -1 1 363.257 4.101 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000436817524 1099329911 /nfs/dbraw/zinc/32/99/11/1099329911.db2.gz RRYLVRXOKFCQEO-UHFFFAOYSA-N -1 1 363.816 4.006 20 0 FIADMM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc(O)cc1[O-] ZINC000436801786 1099331221 /nfs/dbraw/zinc/33/12/21/1099331221.db2.gz FOXSCAOBMJFXKE-UHFFFAOYSA-N -1 1 373.368 4.086 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000436803975 1099333111 /nfs/dbraw/zinc/33/31/11/1099333111.db2.gz TWLIHLGHNKDIDW-UHFFFAOYSA-N -1 1 365.351 4.169 20 0 FIADMM C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436804504 1099333358 /nfs/dbraw/zinc/33/33/58/1099333358.db2.gz BMDKPRSKKWMMTK-LBPRGKRZSA-N -1 1 364.367 4.144 20 0 FIADMM CO[C@@H]1CCOc2c(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cccc21 ZINC000436810311 1099337359 /nfs/dbraw/zinc/33/73/59/1099337359.db2.gz XJHUXONAZLHRTO-OAHLLOKOSA-N -1 1 367.323 4.133 20 0 FIADMM O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)C(=O)c1ccc([O-])cc1 ZINC000436840168 1099358194 /nfs/dbraw/zinc/35/81/94/1099358194.db2.gz NZQGSYZFYDSNHL-UHFFFAOYSA-N -1 1 370.767 4.068 20 0 FIADMM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1cccs1 ZINC000436843376 1099364651 /nfs/dbraw/zinc/36/46/51/1099364651.db2.gz HBULAQFVLNQQAC-CQSZACIVSA-N -1 1 366.280 4.440 20 0 FIADMM Cc1cn(-c2ccccc2)nc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436868600 1099380238 /nfs/dbraw/zinc/38/02/38/1099380238.db2.gz AKPYGZDSJNCSNV-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM CCOCCOc1ccccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436874654 1099388168 /nfs/dbraw/zinc/38/81/68/1099388168.db2.gz UPUBPEQTQLCMKZ-UHFFFAOYSA-N -1 1 360.797 4.178 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1 ZINC000436895056 1099391094 /nfs/dbraw/zinc/39/10/94/1099391094.db2.gz SWYZXOFJQUMACQ-UHFFFAOYSA-N -1 1 364.188 4.374 20 0 FIADMM C[C@H](Oc1cnc2ccccc2c1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436877485 1099394468 /nfs/dbraw/zinc/39/44/68/1099394468.db2.gz GPPWOTJYWDWFNN-NSHDSACASA-N -1 1 351.337 4.270 20 0 FIADMM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccc([O-])cc1F ZINC000436880329 1099397162 /nfs/dbraw/zinc/39/71/62/1099397162.db2.gz NOJHNCPYVZUETN-LJQANCHMSA-N -1 1 369.367 4.221 20 0 FIADMM COc1ccc(-c2ccc(CNC(=O)c3ccc([O-])cc3F)s2)cc1 ZINC000436882208 1099397391 /nfs/dbraw/zinc/39/73/91/1099397391.db2.gz YBRDWGWIYGKYTR-UHFFFAOYSA-N -1 1 357.406 4.198 20 0 FIADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000436909465 1099418505 /nfs/dbraw/zinc/41/85/05/1099418505.db2.gz ALLSABOAYHBBEY-SFHVURJKSA-N -1 1 367.367 4.117 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(Cc2cc(Br)ccc2F)no1 ZINC000436900164 1099424535 /nfs/dbraw/zinc/42/45/35/1099424535.db2.gz HGIIUWAMGJUUJM-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(OCc3ccccc3)nc2)no1 ZINC000436931172 1099427800 /nfs/dbraw/zinc/42/78/00/1099427800.db2.gz IRHUEEVFPLDWTL-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CC(C)[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436918431 1099434853 /nfs/dbraw/zinc/43/48/53/1099434853.db2.gz IHBAYNWDRDKMMD-INIZCTEOSA-N -1 1 370.840 4.209 20 0 FIADMM CC(C)[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1 ZINC000436918431 1099434862 /nfs/dbraw/zinc/43/48/62/1099434862.db2.gz IHBAYNWDRDKMMD-INIZCTEOSA-N -1 1 370.840 4.209 20 0 FIADMM COc1cc(NC(=O)c2cc3ccccc3cc2[O-])c(OC)c(C)c1OC ZINC000436926890 1099441340 /nfs/dbraw/zinc/44/13/40/1099441340.db2.gz MAIQBNWKUUGFAL-UHFFFAOYSA-N -1 1 367.401 4.132 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCCc3ccccc3Cl)no2)c1 ZINC000436934190 1099446403 /nfs/dbraw/zinc/44/64/03/1099446403.db2.gz KQXTWHIVPFIRAP-UHFFFAOYSA-N -1 1 371.824 4.229 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(Br)c(F)c2)no1 ZINC000436945613 1099457107 /nfs/dbraw/zinc/45/71/07/1099457107.db2.gz AZFZYLYFMOJUJJ-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM CCOc1cc(-c2noc([C@@H](C)C3CC3)n2)cc(Br)c1[O-] ZINC000436953808 1099472111 /nfs/dbraw/zinc/47/21/11/1099472111.db2.gz BRCCAZHANYCVHR-QMMMGPOBSA-N -1 1 353.216 4.117 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000436991853 1099496674 /nfs/dbraw/zinc/49/66/74/1099496674.db2.gz UUWFXTPWKPBPJH-HXUWFJFHSA-N -1 1 361.441 4.019 20 0 FIADMM O=C(Nc1ncc(C2CCOCC2)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000572092049 1099498951 /nfs/dbraw/zinc/49/89/51/1099498951.db2.gz HDQOIXWMUALGRS-UHFFFAOYSA-N -1 1 372.368 4.014 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 ZINC000029997820 1099502494 /nfs/dbraw/zinc/50/24/94/1099502494.db2.gz SMDLZRQWLKAMJJ-RDJZCZTQSA-N -1 1 372.538 4.343 20 0 FIADMM CC(C)c1occc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000437002607 1099508092 /nfs/dbraw/zinc/50/80/92/1099508092.db2.gz TZDPEBUTZGVCLB-UHFFFAOYSA-N -1 1 370.449 4.423 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCC[C@H](C)C2)c1 ZINC000030015129 1099515245 /nfs/dbraw/zinc/51/52/45/1099515245.db2.gz NFVYBFSJOHRWQU-HOCLYGCPSA-N -1 1 358.511 4.001 20 0 FIADMM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1(C)C ZINC000516481600 1099527235 /nfs/dbraw/zinc/52/72/35/1099527235.db2.gz HFNRFQIMUUCZTO-QMTHXVAHSA-N -1 1 358.251 4.082 20 0 FIADMM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1(C)C ZINC000516481601 1099527728 /nfs/dbraw/zinc/52/77/28/1099527728.db2.gz HFNRFQIMUUCZTO-YGRLFVJLSA-N -1 1 358.251 4.082 20 0 FIADMM [O-]c1c(F)cc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1F ZINC000093760404 1099613014 /nfs/dbraw/zinc/61/30/14/1099613014.db2.gz QRCPQFTYCCILTE-MRXNPFEDSA-N -1 1 373.321 4.263 20 0 FIADMM CCSc1nnc([N-]C(=O)c2cnc(-c3ccccc3F)s2)s1 ZINC000516775012 1099802179 /nfs/dbraw/zinc/80/21/79/1099802179.db2.gz XOXOFISIMCUYLV-UHFFFAOYSA-N -1 1 366.468 4.165 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000437359536 1099849524 /nfs/dbraw/zinc/84/95/24/1099849524.db2.gz PZRMHVMQMRINCG-DZGCQCFKSA-N -1 1 366.244 4.384 20 0 FIADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000455643713 1099910612 /nfs/dbraw/zinc/91/06/12/1099910612.db2.gz OMIWZLFLKAHVSZ-CQSZACIVSA-N -1 1 368.433 4.189 20 0 FIADMM COC[C@H](C)Nc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000437616997 1100021432 /nfs/dbraw/zinc/02/14/32/1100021432.db2.gz UUWDWENUVNGMIX-AWEZNQCLSA-N -1 1 350.418 4.245 20 0 FIADMM CCOc1cc(-c2noc([C@H]3Cc4ccccc4O3)n2)cc(Cl)c1[O-] ZINC000445412044 1100291962 /nfs/dbraw/zinc/29/19/62/1100291962.db2.gz LVVZZHWRWBXUGU-OAHLLOKOSA-N -1 1 358.781 4.171 20 0 FIADMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438052745 1100379270 /nfs/dbraw/zinc/37/92/70/1100379270.db2.gz SLEBJYVCWGQJBO-UHFFFAOYSA-N -1 1 370.833 4.019 20 0 FIADMM COc1ccc(C(C)=C([O-])Nc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000517651419 1100572753 /nfs/dbraw/zinc/57/27/53/1100572753.db2.gz UCZJMMAOYJDDJW-NSHDSACASA-N -1 1 373.865 4.031 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1 ZINC000425975421 1100574542 /nfs/dbraw/zinc/57/45/42/1100574542.db2.gz GYCIYTCQXCNNBJ-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@](F)(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000517761867 1100647217 /nfs/dbraw/zinc/64/72/17/1100647217.db2.gz XTUVHBAGMKNLQS-LJQANCHMSA-N -1 1 363.816 4.155 20 0 FIADMM O=C1c2ccccc2N[C@@H](c2cc(F)c([O-])c(F)c2)N1Cc1ccccc1 ZINC000426084700 1100803142 /nfs/dbraw/zinc/80/31/42/1100803142.db2.gz MGLCDYSSCCIWRB-HXUWFJFHSA-N -1 1 366.367 4.437 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000438727915 1100877318 /nfs/dbraw/zinc/87/73/18/1100877318.db2.gz SPWPJEIUQVGQJU-UHFFFAOYSA-N -1 1 360.262 4.331 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1C(F)(F)F ZINC000438762725 1100902465 /nfs/dbraw/zinc/90/24/65/1100902465.db2.gz XPDPVPQZDGXKAV-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1Br ZINC000438762890 1100902505 /nfs/dbraw/zinc/90/25/05/1100902505.db2.gz IHBOFYOQKOIAGQ-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1Br ZINC000438798958 1100918988 /nfs/dbraw/zinc/91/89/88/1100918988.db2.gz VUACREFYWJSIMI-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)ccc2[nH]1 ZINC000438801187 1100919787 /nfs/dbraw/zinc/91/97/87/1100919787.db2.gz QOSBZCAKCSBQNM-UHFFFAOYSA-N -1 1 356.447 4.116 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000438793550 1100922984 /nfs/dbraw/zinc/92/29/84/1100922984.db2.gz GXGJIADMMIPZLW-UHFFFAOYSA-N -1 1 357.834 4.376 20 0 FIADMM CC(C)Oc1ccccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000614514567 1100957463 /nfs/dbraw/zinc/95/74/63/1100957463.db2.gz FAFKSRZAFQACQZ-UHFFFAOYSA-N -1 1 360.479 4.144 20 0 FIADMM CCCOc1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000439070796 1101136616 /nfs/dbraw/zinc/13/66/16/1101136616.db2.gz NAONEHHZTWBMPV-UHFFFAOYSA-N -1 1 365.433 4.142 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000173749043 1101371752 /nfs/dbraw/zinc/37/17/52/1101371752.db2.gz LMVUJKMKLHUCCB-UHFFFAOYSA-N -1 1 370.522 4.099 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC000537036716 1101411295 /nfs/dbraw/zinc/41/12/95/1101411295.db2.gz SKHMIAIMZWVSNN-UHFFFAOYSA-N -1 1 374.462 4.073 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC3(CCCC3)C2)c1 ZINC000174852857 1101415476 /nfs/dbraw/zinc/41/54/76/1101415476.db2.gz SMYWUYKLKAINEP-UHFFFAOYSA-N -1 1 370.522 4.099 20 0 FIADMM C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(-c2cccnc2)cc1 ZINC000176658449 1101472037 /nfs/dbraw/zinc/47/20/37/1101472037.db2.gz BEZULSAOZURJSP-HNNXBMFYSA-N -1 1 369.424 4.081 20 0 FIADMM COc1cc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)cc(Cl)c1[O-] ZINC000460123696 1101617320 /nfs/dbraw/zinc/61/73/20/1101617320.db2.gz GJUFRYZZHVTSNA-BTDLBPIBSA-N -1 1 363.816 4.247 20 0 FIADMM COc1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc(Cl)c1[O-] ZINC000460186769 1101712061 /nfs/dbraw/zinc/71/20/61/1101712061.db2.gz HOTUTERIZWPYSK-UHFFFAOYSA-N -1 1 369.808 4.445 20 0 FIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000024578882 1101860882 /nfs/dbraw/zinc/86/08/82/1101860882.db2.gz NNYKNWVEPWLVTG-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000016601593 1101895252 /nfs/dbraw/zinc/89/52/52/1101895252.db2.gz KOOBIFIDRMXEPZ-OAHLLOKOSA-N -1 1 374.506 4.023 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)[nH]nc1C1CC1 ZINC000760322204 1101911459 /nfs/dbraw/zinc/91/14/59/1101911459.db2.gz XSNWDFVHUAPTDG-UHFFFAOYSA-N -1 1 374.293 4.320 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263186569 1101988492 /nfs/dbraw/zinc/98/84/92/1101988492.db2.gz UXEKDQYUVUJDDS-SJORKVTESA-N -1 1 360.498 4.022 20 0 FIADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000440183493 1102075751 /nfs/dbraw/zinc/07/57/51/1102075751.db2.gz GMBNBNGUMHKSOU-UHFFFAOYSA-N -1 1 363.461 4.002 20 0 FIADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000440183493 1102075763 /nfs/dbraw/zinc/07/57/63/1102075763.db2.gz GMBNBNGUMHKSOU-UHFFFAOYSA-N -1 1 363.461 4.002 20 0 FIADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001142545927 1102185279 /nfs/dbraw/zinc/18/52/79/1102185279.db2.gz NALRGUHLSQXDEI-UHFFFAOYSA-N -1 1 367.657 4.475 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1F ZINC000440311546 1102187428 /nfs/dbraw/zinc/18/74/28/1102187428.db2.gz MPSYVXRMPYJWFZ-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM COc1ccsc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000440311071 1102189126 /nfs/dbraw/zinc/18/91/26/1102189126.db2.gz DMYBKZBTZQXSEW-UHFFFAOYSA-N -1 1 363.489 4.320 20 0 FIADMM O=C([O-])[C@@H]1CN(Cc2ccc(F)c(-c3cccs3)c2)C[C@H]1C(F)(F)F ZINC000263523454 1102214093 /nfs/dbraw/zinc/21/40/93/1102214093.db2.gz SECHVIQWSAUTRT-CHWSQXEVSA-N -1 1 373.371 4.249 20 0 FIADMM CC(=O)Nc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1Cl ZINC000120681334 1102232237 /nfs/dbraw/zinc/23/22/37/1102232237.db2.gz CDRSGPQTLUSGMK-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1F ZINC000614825595 1102367698 /nfs/dbraw/zinc/36/76/98/1102367698.db2.gz OULXMFDSBUXRDA-UHFFFAOYSA-N -1 1 357.406 4.302 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000032879283 1102412992 /nfs/dbraw/zinc/41/29/92/1102412992.db2.gz OYXYKYCHYVCEGC-SNVBAGLBSA-N -1 1 364.421 4.321 20 0 FIADMM COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000537640962 1102577299 /nfs/dbraw/zinc/57/72/99/1102577299.db2.gz DLZHUXIFDGPXBO-SFHVURJKSA-N -1 1 361.441 4.401 20 0 FIADMM Cc1cc2cc(CN[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])oc2cc1C ZINC000426665931 1102647000 /nfs/dbraw/zinc/64/70/00/1102647000.db2.gz YXNZPSFFZPDQLV-HXUWFJFHSA-N -1 1 362.429 4.316 20 0 FIADMM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cncc([O-])c1 ZINC000111605900 1102664090 /nfs/dbraw/zinc/66/40/90/1102664090.db2.gz WTRFYIFTNDRBTO-UHFFFAOYSA-N -1 1 352.365 4.066 20 0 FIADMM CN1CCCN(C(=O)c2cc3ccccc3cc2[O-])c2ccc(F)cc21 ZINC000537680328 1102832343 /nfs/dbraw/zinc/83/23/43/1102832343.db2.gz KNRGNHXDLKFWFV-UHFFFAOYSA-N -1 1 350.393 4.171 20 0 FIADMM CCOc1cc(-c2noc(CCCc3cccnc3)n2)cc(Cl)c1[O-] ZINC000664845562 1102871283 /nfs/dbraw/zinc/87/12/83/1102871283.db2.gz MYHHZGWWWFHCIC-UHFFFAOYSA-N -1 1 359.813 4.065 20 0 FIADMM O=C([O-])[C@]1(NCc2cccc(Cl)c2Cl)CCc2c1cccc2F ZINC000551057868 1102874340 /nfs/dbraw/zinc/87/43/40/1102874340.db2.gz ITYKHPZDDBAYSJ-KRWDZBQOSA-N -1 1 354.208 4.148 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cc(Cl)ccc1F ZINC000551116765 1102921886 /nfs/dbraw/zinc/92/18/86/1102921886.db2.gz GHIUINZQBDCDRO-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(OC)cc2Cl)cc1 ZINC000426715984 1102937734 /nfs/dbraw/zinc/93/77/34/1102937734.db2.gz KPEWXSFHSUKOLA-SFHVURJKSA-N -1 1 363.841 4.053 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000614831475 1102949215 /nfs/dbraw/zinc/94/92/15/1102949215.db2.gz CUEMDRSFWHFHGO-UHFFFAOYSA-N -1 1 372.421 4.431 20 0 FIADMM Cc1cccc([C@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])c1C ZINC000426730434 1102950399 /nfs/dbraw/zinc/95/03/99/1102950399.db2.gz LDPFTPVLZKEOCO-NRFANRHFSA-N -1 1 364.420 4.420 20 0 FIADMM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1 ZINC000426727752 1102962631 /nfs/dbraw/zinc/96/26/31/1102962631.db2.gz QEYOWEQMNLXKCZ-CQSZACIVSA-N -1 1 361.722 4.413 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000426748069 1102964818 /nfs/dbraw/zinc/96/48/18/1102964818.db2.gz UOIJLYUEOVMNCY-KUHUBIRLSA-N -1 1 352.459 4.362 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000426746426 1102964953 /nfs/dbraw/zinc/96/49/53/1102964953.db2.gz YGJAIFDUZBGGQZ-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Br)ccc1F)c1ccccc1 ZINC000426748150 1102965277 /nfs/dbraw/zinc/96/52/77/1102965277.db2.gz VFQJKCOKJSBDEM-MEDUHNTESA-N -1 1 366.230 4.140 20 0 FIADMM COc1ccccc1[C@@H](NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000426784897 1102984987 /nfs/dbraw/zinc/98/49/87/1102984987.db2.gz NUUNVHZTUIMCLE-OAHLLOKOSA-N -1 1 373.758 4.283 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)o3)s2)c1 ZINC000426767546 1102987211 /nfs/dbraw/zinc/98/72/11/1102987211.db2.gz OAHGFJMLDGKSMK-INIZCTEOSA-N -1 1 372.446 4.026 20 0 FIADMM Cc1cc(C)cc(C[C@H](NCc2ccc(-c3ccccc3F)o2)C(=O)[O-])c1 ZINC000426806159 1102988371 /nfs/dbraw/zinc/98/83/71/1102988371.db2.gz ASYYBXXSNRTHRC-FQEVSTJZSA-N -1 1 367.420 4.488 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(C)C)cc2)c1OC ZINC000426801336 1102999393 /nfs/dbraw/zinc/99/93/93/1102999393.db2.gz QYGMCMDQNBNYKV-SFHVURJKSA-N -1 1 357.450 4.133 20 0 FIADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1Oc1cccnc1 ZINC000426804752 1103002151 /nfs/dbraw/zinc/00/21/51/1103002151.db2.gz WJBGWAZKKKVIPR-HXUWFJFHSA-N -1 1 366.392 4.237 20 0 FIADMM CC(C)Cc1ncc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426829459 1103003946 /nfs/dbraw/zinc/00/39/46/1103003946.db2.gz PJMHLFIDFJQUHI-HNNXBMFYSA-N -1 1 352.887 4.301 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccsc1Cl)c1cccc(Br)c1 ZINC000426821406 1103016399 /nfs/dbraw/zinc/01/63/99/1103016399.db2.gz SJFOIEYDWGLBJA-GFCCVEGCSA-N -1 1 374.687 4.470 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(F)cc(F)c1)c1cccc(Br)c1 ZINC000426821822 1103016936 /nfs/dbraw/zinc/01/69/36/1103016936.db2.gz WYWQJVMAPBYTKP-HNNXBMFYSA-N -1 1 370.193 4.033 20 0 FIADMM CCSc1ccc(CN2CCCC[C@H]2CC(=O)[O-])c(Br)c1 ZINC000629359832 1103020573 /nfs/dbraw/zinc/02/05/73/1103020573.db2.gz CVKMIHGDEKJOBK-ZDUSSCGKSA-N -1 1 372.328 4.390 20 0 FIADMM Cc1cc2[nH]c(CN[C@H](CC(=O)[O-])c3ccc(F)cc3F)cc2c(C)c1 ZINC000426829212 1103026700 /nfs/dbraw/zinc/02/67/00/1103026700.db2.gz OGSBZMXVJLVEDB-GOSISDBHSA-N -1 1 358.388 4.369 20 0 FIADMM CCc1ccc([C@H](NCc2ccc(Br)cc2F)C(=O)[O-])cc1 ZINC000426828718 1103028424 /nfs/dbraw/zinc/02/84/24/1103028424.db2.gz ZOXDKBGALIRJBV-INIZCTEOSA-N -1 1 366.230 4.066 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cs1 ZINC000025473489 1103058152 /nfs/dbraw/zinc/05/81/52/1103058152.db2.gz XTOMTMKCEPBMQT-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM CCN(Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1)C(C)=O ZINC000031590214 1103107792 /nfs/dbraw/zinc/10/77/92/1103107792.db2.gz FZWACSLFAOLULF-UHFFFAOYSA-N -1 1 362.429 4.166 20 0 FIADMM Cc1ccc(F)c(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000551420873 1103201622 /nfs/dbraw/zinc/20/16/22/1103201622.db2.gz PICRMBOQKHWJJX-INIZCTEOSA-N -1 1 355.331 4.459 20 0 FIADMM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1cc(Cl)ccc1F ZINC000551444914 1103227186 /nfs/dbraw/zinc/22/71/86/1103227186.db2.gz DQSJBVLNHDHQNB-KRWDZBQOSA-N -1 1 365.813 4.140 20 0 FIADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000427102640 1103254783 /nfs/dbraw/zinc/25/47/83/1103254783.db2.gz TVTZYFKVWFUVCK-CQSZACIVSA-N -1 1 350.340 4.173 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c(C)c1 ZINC000427103177 1103255489 /nfs/dbraw/zinc/25/54/89/1103255489.db2.gz WTWZKRHGIFXMKW-UHFFFAOYSA-N -1 1 362.476 4.113 20 0 FIADMM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000507348496 1103320051 /nfs/dbraw/zinc/32/00/51/1103320051.db2.gz LQTBWRZCWNEINT-UHFFFAOYSA-N -1 1 366.808 4.029 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000519862923 1103912550 /nfs/dbraw/zinc/91/25/50/1103912550.db2.gz GSNJMGMHQZLHSC-MRXNPFEDSA-N -1 1 373.880 4.458 20 0 FIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000538297675 1104116655 /nfs/dbraw/zinc/11/66/55/1104116655.db2.gz AJAIEUIUTAASND-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1ccc(Cl)nc1Cl ZINC000729485747 1104146244 /nfs/dbraw/zinc/14/62/44/1104146244.db2.gz SXJGEBJWMMODAP-OAHLLOKOSA-N -1 1 371.289 4.208 20 0 FIADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000520279763 1104220492 /nfs/dbraw/zinc/22/04/92/1104220492.db2.gz UHWRLBDQTUEUIR-UHFFFAOYSA-N -1 1 352.459 4.220 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](NCc2c(Cl)cccc2N2CCCC2)c2ccccc21 ZINC000417635417 1105039043 /nfs/dbraw/zinc/03/90/43/1105039043.db2.gz WPFFAPXVHZEHFF-APWZRJJASA-N -1 1 370.880 4.343 20 0 FIADMM O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000441720136 1105119116 /nfs/dbraw/zinc/11/91/16/1105119116.db2.gz RSHHIQZGPOOYSA-UHFFFAOYSA-N -1 1 365.323 4.261 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)ccc1OC(C)C ZINC000520701595 1105122662 /nfs/dbraw/zinc/12/26/62/1105122662.db2.gz MXGREOHWWPSKSF-UHFFFAOYSA-N -1 1 362.476 4.193 20 0 FIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2o1 ZINC000032097628 1105139548 /nfs/dbraw/zinc/13/95/48/1105139548.db2.gz SBOFAEKHOUCSOV-UHFFFAOYSA-N -1 1 350.827 4.405 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427642464 1105205261 /nfs/dbraw/zinc/20/52/61/1105205261.db2.gz QAWIIGLWSZDLNU-UHFFFAOYSA-N -1 1 352.459 4.475 20 0 FIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000427644683 1105211136 /nfs/dbraw/zinc/21/11/36/1105211136.db2.gz KDCUDNHWCSXSAQ-UHFFFAOYSA-N -1 1 368.458 4.004 20 0 FIADMM CCc1cc2c(CNc3ccc(Br)cc3)cc(=O)oc2cc1[O-] ZINC000007222586 1105288306 /nfs/dbraw/zinc/28/83/06/1105288306.db2.gz JCCCXBMRECKGPM-UHFFFAOYSA-N -1 1 374.234 4.436 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccc2ncccc21 ZINC000508023070 1105303972 /nfs/dbraw/zinc/30/39/72/1105303972.db2.gz BMSSJVAIWLJUGW-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(Br)c([O-])c1 ZINC000427972880 1105332351 /nfs/dbraw/zinc/33/23/51/1105332351.db2.gz BYLBZGJKQKZJMI-MRVPVSSYSA-N -1 1 354.166 4.006 20 0 FIADMM CC1(C)COc2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)ccc21 ZINC000530140420 1106858396 /nfs/dbraw/zinc/85/83/96/1106858396.db2.gz CXWRPIIREJHLOT-UHFFFAOYSA-N -1 1 353.390 4.095 20 0 FIADMM C[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccsc1 ZINC000444349552 1106880255 /nfs/dbraw/zinc/88/02/55/1106880255.db2.gz DUDHVZZBUGNXBG-ZDUSSCGKSA-N -1 1 372.490 4.258 20 0 FIADMM Cc1nc(-c2ccc(N[C@H](C)Cc3ccccc3F)nc2)[n-]c(=O)c1C ZINC000301383722 1107012543 /nfs/dbraw/zinc/01/25/43/1107012543.db2.gz VVQKMIPMAMYYQG-GFCCVEGCSA-N -1 1 352.413 4.043 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1Cl ZINC000451308957 1107017169 /nfs/dbraw/zinc/01/71/69/1107017169.db2.gz WESYRDWUDZEEJC-BDAKNGLRSA-N -1 1 361.838 4.049 20 0 FIADMM Cc1nc(-c2ccc(NCC(C)(C)c3ccccc3F)nc2)[n-]c(=O)c1C ZINC000301443794 1107033282 /nfs/dbraw/zinc/03/32/82/1107033282.db2.gz YOUPYESYOBEIEF-UHFFFAOYSA-N -1 1 366.440 4.390 20 0 FIADMM CCCCO[C@@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(C)C ZINC000301551642 1107067110 /nfs/dbraw/zinc/06/71/10/1107067110.db2.gz RAGNCUMKKRDWFB-DLBZAZTESA-N -1 1 370.497 4.257 20 0 FIADMM COc1ccc([C@H](C)N(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301556972 1107068433 /nfs/dbraw/zinc/06/84/33/1107068433.db2.gz WYAMEGRPTJRPQP-HNNXBMFYSA-N -1 1 364.449 4.067 20 0 FIADMM CC[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1c(C)noc1C ZINC000301832888 1107174359 /nfs/dbraw/zinc/17/43/59/1107174359.db2.gz RSSPQQGEPVMKLB-HNNXBMFYSA-N -1 1 353.426 4.029 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000122309150 1107397772 /nfs/dbraw/zinc/39/77/72/1107397772.db2.gz YVXZRFLKETVQQQ-VIFPVBQESA-N -1 1 374.359 4.026 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3c(F)cc(F)cc3F)s2)c(C)c1 ZINC000152452321 1107717455 /nfs/dbraw/zinc/71/74/55/1107717455.db2.gz RRMNGQPNZNQYNF-UHFFFAOYSA-N -1 1 363.364 4.492 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2)cs1 ZINC000614769366 1107728736 /nfs/dbraw/zinc/72/87/36/1107728736.db2.gz MEVBTNBMGBUCRT-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2cc(C)ccc2F)cc(Cl)c1[O-] ZINC000444430571 1107743259 /nfs/dbraw/zinc/74/32/59/1107743259.db2.gz OHRKXYZOKDYQAM-UHFFFAOYSA-N -1 1 351.805 4.164 20 0 FIADMM O=S(=O)(Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc([O-])cc1 ZINC000063927070 1107909075 /nfs/dbraw/zinc/90/90/75/1107909075.db2.gz KAWSVAAMIOAFRV-UHFFFAOYSA-N -1 1 365.863 4.143 20 0 FIADMM COc1cc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc(Cl)c1[O-] ZINC000453011747 1108081733 /nfs/dbraw/zinc/08/17/33/1108081733.db2.gz JUWSQNVGSUQCFK-CABZTGNLSA-N -1 1 365.779 4.295 20 0 FIADMM CCCCc1ccc(NC(=O)Cc2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000445326372 1108651426 /nfs/dbraw/zinc/65/14/26/1108651426.db2.gz YMTAVOFZDKZHTK-UHFFFAOYSA-N -1 1 369.396 4.105 20 0 FIADMM COc1cc(-c2noc(/C=C3/CC[C@@H](C)C3)n2)cc(Br)c1[O-] ZINC000445392677 1108708747 /nfs/dbraw/zinc/70/87/47/1108708747.db2.gz NNEBFLYZBYOFEL-WPVMNKCKSA-N -1 1 365.227 4.417 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc(OC)cc3)n2)cc(Cl)c1[O-] ZINC000445408568 1108733198 /nfs/dbraw/zinc/73/31/98/1108733198.db2.gz IJGMMKKODRWJOK-UHFFFAOYSA-N -1 1 360.797 4.094 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(-c4ccco4)on3)n2)cc(Cl)c1[O-] ZINC000445431334 1108742158 /nfs/dbraw/zinc/74/21/58/1108742158.db2.gz NQQLCQQLVMSLDD-UHFFFAOYSA-N -1 1 373.752 4.409 20 0 FIADMM CCOc1cc(C(=O)NCC(C)(C)c2ccccc2F)cc(Cl)c1[O-] ZINC000546584194 1108745066 /nfs/dbraw/zinc/74/50/66/1108745066.db2.gz SLNYVJAYEHNEJE-UHFFFAOYSA-N -1 1 365.832 4.291 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c1 ZINC000524007058 1108746260 /nfs/dbraw/zinc/74/62/60/1108746260.db2.gz ZOYFORXADWJTMO-UHFFFAOYSA-N -1 1 355.406 4.057 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc(C)c(OC)c3)n2)cc(Cl)c1[O-] ZINC000445418458 1108747624 /nfs/dbraw/zinc/74/76/24/1108747624.db2.gz OFCCRAIJANOWFX-UHFFFAOYSA-N -1 1 374.824 4.402 20 0 FIADMM CC(C)Cn1ncc2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)cnc21 ZINC000445448685 1108749032 /nfs/dbraw/zinc/74/90/32/1108749032.db2.gz LVLINBULIWRURB-UHFFFAOYSA-N -1 1 369.812 4.163 20 0 FIADMM CCOc1cc(-c2noc(CN(C)Cc3ccccc3)n2)cc(Cl)c1[O-] ZINC000445421827 1108749065 /nfs/dbraw/zinc/74/90/65/1108749065.db2.gz JBRYPDOLACEIPP-UHFFFAOYSA-N -1 1 373.840 4.126 20 0 FIADMM COc1cc(Cl)c(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445449629 1108752378 /nfs/dbraw/zinc/75/23/78/1108752378.db2.gz WGGKMNIJMQDALG-UHFFFAOYSA-N -1 1 367.188 4.433 20 0 FIADMM [O-]c1ccc(-c2noc(CCOc3ccc(Cl)cc3)n2)c(Cl)c1 ZINC000445451070 1108754785 /nfs/dbraw/zinc/75/47/85/1108754785.db2.gz AEXJYPXWLXRBCZ-UHFFFAOYSA-N -1 1 351.189 4.371 20 0 FIADMM CCO[C@@H](C)c1ncc(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000445446195 1108773790 /nfs/dbraw/zinc/77/37/90/1108773790.db2.gz CWUSGEJAYNDIOM-QMMMGPOBSA-N -1 1 351.815 4.317 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3cc(Br)cs3)n2)c(F)c1 ZINC000445453311 1108786083 /nfs/dbraw/zinc/78/60/83/1108786083.db2.gz HRPLJFWVGNMUFH-UHFFFAOYSA-N -1 1 369.215 4.191 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(F)c(Br)c3)n2)c(F)c1 ZINC000445454508 1108787741 /nfs/dbraw/zinc/78/77/41/1108787741.db2.gz LDBOUDLOGRDEPG-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM Cc1ccc(C(=O)CCCCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445460904 1108793347 /nfs/dbraw/zinc/79/33/47/1108793347.db2.gz UJPYLPGCVUUNMD-UHFFFAOYSA-N -1 1 354.381 4.485 20 0 FIADMM O=C(CCCCc1nc(-c2ccc([O-])cc2F)no1)c1ccc(F)cc1 ZINC000445459648 1108793756 /nfs/dbraw/zinc/79/37/56/1108793756.db2.gz FFNDVUDRJRXVPT-UHFFFAOYSA-N -1 1 358.344 4.316 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(O)cc3F)no2)cc(Cl)c1[O-] ZINC000445462172 1108795956 /nfs/dbraw/zinc/79/59/56/1108795956.db2.gz JFVAYLQAMLSMBY-UHFFFAOYSA-N -1 1 350.733 4.006 20 0 FIADMM CC(C)c1nn(C)c2sc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc12 ZINC000445478814 1108798056 /nfs/dbraw/zinc/79/80/56/1108798056.db2.gz DULXLDMOFUXIIF-UHFFFAOYSA-N -1 1 358.398 4.320 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(F)ccc3Br)n2)cc1F ZINC000445479191 1108799667 /nfs/dbraw/zinc/79/96/67/1108799667.db2.gz VCJVNWYLMNEJLK-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM [O-]c1ccc(-c2noc(-c3[nH]c4ccccc4c3Br)n2)cc1F ZINC000445482798 1108802380 /nfs/dbraw/zinc/80/23/80/1108802380.db2.gz QQNGTQABNXQBEY-UHFFFAOYSA-N -1 1 374.169 4.492 20 0 FIADMM COc1ccc2nc(C)cc(-c3nc(-c4ccc([O-])c(F)c4)no3)c2c1 ZINC000445472010 1108811249 /nfs/dbraw/zinc/81/12/49/1108811249.db2.gz JCNZFTCPDGHETK-UHFFFAOYSA-N -1 1 351.337 4.114 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cnc(-c2ccccn2)s1 ZINC000171415659 1108847624 /nfs/dbraw/zinc/84/76/24/1108847624.db2.gz CCGUJGSIEUUEQX-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(Cl)c1 ZINC000016127591 1108909545 /nfs/dbraw/zinc/90/95/45/1108909545.db2.gz KPYQWWYVMIQGOX-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc([O-])cc2F)n1 ZINC000445661630 1108939084 /nfs/dbraw/zinc/93/90/84/1108939084.db2.gz IZGWKTIKZZNNMD-UHFFFAOYSA-N -1 1 352.369 4.103 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000524292654 1108953567 /nfs/dbraw/zinc/95/35/67/1108953567.db2.gz FCHAYLPZAGOCHZ-UHFFFAOYSA-N -1 1 354.431 4.328 20 0 FIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000445701469 1108958310 /nfs/dbraw/zinc/95/83/10/1108958310.db2.gz FQUUFDPABOOYOW-SNVBAGLBSA-N -1 1 364.216 4.249 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1noc(-c2ccccc2)n1 ZINC000446060868 1109100277 /nfs/dbraw/zinc/10/02/77/1109100277.db2.gz LEXUMFLINPZGEV-QMMMGPOBSA-N -1 1 368.340 4.104 20 0 FIADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000446980063 1109404335 /nfs/dbraw/zinc/40/43/35/1109404335.db2.gz OVTBQYJKAIUOLY-ZDUSSCGKSA-N -1 1 362.267 4.166 20 0 FIADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000525525412 1109412353 /nfs/dbraw/zinc/41/23/53/1109412353.db2.gz LCVWHNZWTDUHRX-JTQLQIEISA-N -1 1 359.369 4.082 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1C ZINC000447281797 1109495034 /nfs/dbraw/zinc/49/50/34/1109495034.db2.gz USAMXERFAWNRRD-UHFFFAOYSA-N -1 1 371.458 4.275 20 0 FIADMM O=S(=O)(Cc1ccc(C(F)F)cc1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447496690 1109554242 /nfs/dbraw/zinc/55/42/42/1109554242.db2.gz CIVMRVBDLQZLGB-UHFFFAOYSA-N -1 1 366.364 4.127 20 0 FIADMM O=S(=O)(Cc1ccc(C(F)F)cc1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447496690 1109554246 /nfs/dbraw/zinc/55/42/46/1109554246.db2.gz CIVMRVBDLQZLGB-UHFFFAOYSA-N -1 1 366.364 4.127 20 0 FIADMM Cc1ccc([C@@]2(C)CCN(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000447691315 1109621903 /nfs/dbraw/zinc/62/19/03/1109621903.db2.gz QFCUBFGJWUTLIL-IBGZPJMESA-N -1 1 374.278 4.267 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCC12CC2 ZINC000527760036 1109817965 /nfs/dbraw/zinc/81/79/65/1109817965.db2.gz FQMSGLRSQUDLMS-SFHVURJKSA-N -1 1 370.474 4.006 20 0 FIADMM CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449800763 1110170411 /nfs/dbraw/zinc/17/04/11/1110170411.db2.gz FKQLLKLFPKEHSF-UHFFFAOYSA-N -1 1 350.422 4.115 20 0 FIADMM CCCc1nc(C)c(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)o1 ZINC000449988050 1110217792 /nfs/dbraw/zinc/21/77/92/1110217792.db2.gz LHEPYKOSHQLUBN-UHFFFAOYSA-N -1 1 374.491 4.428 20 0 FIADMM Clc1cc(CNC2(c3nnn[n-]3)CCCC2)ccc1-c1ccccc1 ZINC000529539875 1110284680 /nfs/dbraw/zinc/28/46/80/1110284680.db2.gz AXBBCUNVGCELOY-UHFFFAOYSA-N -1 1 353.857 4.079 20 0 FIADMM CCCOc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000450796086 1110342734 /nfs/dbraw/zinc/34/27/34/1110342734.db2.gz UZEWYRKZKDGZAK-UHFFFAOYSA-N -1 1 360.479 4.145 20 0 FIADMM CCCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461634676 1111295829 /nfs/dbraw/zinc/29/58/29/1111295829.db2.gz WEEYWMKSTUFSNH-MRXNPFEDSA-N -1 1 374.506 4.138 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000539262021 1111498590 /nfs/dbraw/zinc/49/85/90/1111498590.db2.gz WLVMWKVHDDAJKW-CHWSQXEVSA-N -1 1 364.214 4.344 20 0 FIADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc2ccccc2cc1[O-] ZINC000054588736 1111827709 /nfs/dbraw/zinc/82/77/09/1111827709.db2.gz HFDBXRVPXUNBRY-UHFFFAOYSA-N -1 1 357.413 4.003 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000552960600 1111869065 /nfs/dbraw/zinc/86/90/65/1111869065.db2.gz WGXBRGFSBSVXRS-LZLYRXPVSA-N -1 1 371.864 4.463 20 0 FIADMM Cc1csc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1Cl ZINC000478869358 1111906527 /nfs/dbraw/zinc/90/65/27/1111906527.db2.gz QLBVWZXRPXZZIU-UHFFFAOYSA-N -1 1 358.275 4.489 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc2ncsc2c1 ZINC000479507700 1112050664 /nfs/dbraw/zinc/05/06/64/1112050664.db2.gz AFBRFQDKPFBLGV-UHFFFAOYSA-N -1 1 371.443 4.116 20 0 FIADMM CSc1nsc([N-]C(=O)c2c(C)onc2-c2cccc(Cl)c2)n1 ZINC000479569514 1112068177 /nfs/dbraw/zinc/06/81/77/1112068177.db2.gz MCAWTXQNRNKPIU-UHFFFAOYSA-N -1 1 366.855 4.129 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000479563150 1112073451 /nfs/dbraw/zinc/07/34/51/1112073451.db2.gz APIAKMRGXAXLOE-UHFFFAOYSA-N -1 1 351.443 4.241 20 0 FIADMM CCOc1cc(C(=O)NC[C@H](c2ccccc2)C2CC2)cc(Cl)c1[O-] ZINC000554395664 1112331136 /nfs/dbraw/zinc/33/11/36/1112331136.db2.gz KCCKRRJVFIQBRU-MRXNPFEDSA-N -1 1 359.853 4.368 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1coc(C2CCCCC2)n1 ZINC000554838894 1112525067 /nfs/dbraw/zinc/52/50/67/1112525067.db2.gz HNMLIBGFQGFIQA-UHFFFAOYSA-N -1 1 352.394 4.070 20 0 FIADMM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000481611014 1112994192 /nfs/dbraw/zinc/99/41/92/1112994192.db2.gz KSCOVXZIPUMRFC-CQSZACIVSA-N -1 1 360.417 4.012 20 0 FIADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000481873304 1113117807 /nfs/dbraw/zinc/11/78/07/1113117807.db2.gz VTRHULBDINFOFH-UHFFFAOYSA-N -1 1 351.443 4.068 20 0 FIADMM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000158637553 1113251221 /nfs/dbraw/zinc/25/12/21/1113251221.db2.gz HNKWIILWFBMPPF-WMLDXEAASA-N -1 1 365.351 4.061 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3ncccc3c2)c1 ZINC000482699679 1113335618 /nfs/dbraw/zinc/33/56/18/1113335618.db2.gz YNUJRRPOYORSDN-UHFFFAOYSA-N -1 1 357.207 4.264 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000482721248 1113343336 /nfs/dbraw/zinc/34/33/36/1113343336.db2.gz GYRQMLXVAOFSRH-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc(Cl)c1[O-] ZINC000171106325 1113415015 /nfs/dbraw/zinc/41/50/15/1113415015.db2.gz GSPVLQXGZKYXOV-SNVBAGLBSA-N -1 1 367.804 4.083 20 0 FIADMM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000483143182 1113452715 /nfs/dbraw/zinc/45/27/15/1113452715.db2.gz ZDFVMNCOQDUUKJ-UHFFFAOYSA-N -1 1 353.443 4.375 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c(C)c1C ZINC000486073508 1113502071 /nfs/dbraw/zinc/50/20/71/1113502071.db2.gz AFHPKXGBTVNNND-UHFFFAOYSA-N -1 1 373.474 4.096 20 0 FIADMM CCOc1ccc(OCC)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486165730 1113519177 /nfs/dbraw/zinc/51/91/77/1113519177.db2.gz KRKWQICEQALRTB-UHFFFAOYSA-N -1 1 350.802 4.487 20 0 FIADMM CC(C)(c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1)C(F)(F)F ZINC000907743305 1113570487 /nfs/dbraw/zinc/57/04/87/1113570487.db2.gz PCXUSMYRUABJLI-UHFFFAOYSA-N -1 1 365.355 4.152 20 0 FIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)ccc1OC1CCCC1 ZINC000486653596 1113613417 /nfs/dbraw/zinc/61/34/17/1113613417.db2.gz FOOUSCOLAHKALT-UHFFFAOYSA-N -1 1 374.750 4.051 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c1 ZINC000486762653 1113637496 /nfs/dbraw/zinc/63/74/96/1113637496.db2.gz ZWKFJGNZYCBYFR-UHFFFAOYSA-N -1 1 358.507 4.021 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000908718128 1113684810 /nfs/dbraw/zinc/68/48/10/1113684810.db2.gz RXMKPJPLVPIBKP-BDAKNGLRSA-N -1 1 366.177 4.462 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)c1ccn(C2CCCCC2)n1 ZINC000908708467 1113686752 /nfs/dbraw/zinc/68/67/52/1113686752.db2.gz UZIWUCKEUZBSJE-UHFFFAOYSA-N -1 1 364.243 4.109 20 0 FIADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709779 1113687570 /nfs/dbraw/zinc/68/75/70/1113687570.db2.gz TUKWRGJQCHNTDG-NXEZZACHSA-N -1 1 352.253 4.267 20 0 FIADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000487951179 1113829593 /nfs/dbraw/zinc/82/95/93/1113829593.db2.gz USDIVPWEEWXQGT-HNNXBMFYSA-N -1 1 362.267 4.248 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(OC)c(C(C)C)c(OC)c1 ZINC000488273784 1113892278 /nfs/dbraw/zinc/89/22/78/1113892278.db2.gz FYJYUVOFAWRMQH-UHFFFAOYSA-N -1 1 363.479 4.190 20 0 FIADMM CCC(CC)(CC)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000150818942 1114133154 /nfs/dbraw/zinc/13/31/54/1114133154.db2.gz ZOCRQVFNKTVRJE-UHFFFAOYSA-N -1 1 360.527 4.391 20 0 FIADMM O=C(Nc1nc(C2CCOCC2)cs1)c1ccc2ccccc2c1[O-] ZINC000571099965 1114434362 /nfs/dbraw/zinc/43/43/62/1114434362.db2.gz QFFUGGCAVXIJSG-UHFFFAOYSA-N -1 1 354.431 4.148 20 0 FIADMM CC(C)C1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000571290395 1114454089 /nfs/dbraw/zinc/45/40/89/1114454089.db2.gz DUECCVYHOQUCDB-OAHLLOKOSA-N -1 1 358.251 4.082 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000588077506 1114520083 /nfs/dbraw/zinc/52/00/83/1114520083.db2.gz NASITRDMMJHGNM-UHFFFAOYSA-N -1 1 371.458 4.186 20 0 FIADMM CC(C)c1csc(C(C#N)=C([O-])c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000080449400 1114617433 /nfs/dbraw/zinc/61/74/33/1114617433.db2.gz NCCVVWPQHSRVEM-NSHDSACASA-N -1 1 362.838 4.181 20 0 FIADMM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000572400509 1114634851 /nfs/dbraw/zinc/63/48/51/1114634851.db2.gz LZVJIGVBVDYXTF-UHFFFAOYSA-N -1 1 354.422 4.270 20 0 FIADMM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590610496 1114952923 /nfs/dbraw/zinc/95/29/23/1114952923.db2.gz VELUSXPEOGMRLW-JQWIXIFHSA-N -1 1 366.346 4.148 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)ccc1F ZINC000591797360 1115139808 /nfs/dbraw/zinc/13/98/08/1115139808.db2.gz XHCKWJXIUIKNMF-UHFFFAOYSA-N -1 1 362.426 4.374 20 0 FIADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000615221296 1115188695 /nfs/dbraw/zinc/18/86/95/1115188695.db2.gz KWUDUNUPSQOEAD-UHFFFAOYSA-N -1 1 351.859 4.364 20 0 FIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)ccc2O1 ZINC000592002984 1115191817 /nfs/dbraw/zinc/19/18/17/1115191817.db2.gz DCILQFZIKJAYAZ-AWEZNQCLSA-N -1 1 373.474 4.132 20 0 FIADMM CCCCN1CCc2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc21 ZINC000760992453 1115258452 /nfs/dbraw/zinc/25/84/52/1115258452.db2.gz VQLJMDFXEMMKMY-UHFFFAOYSA-N -1 1 368.481 4.029 20 0 FIADMM O=C([O-])[C@H]1C[C@H](NCc2c(Cl)cccc2OC(F)F)c2ccccc21 ZINC000669478946 1115304399 /nfs/dbraw/zinc/30/43/99/1115304399.db2.gz ZWANDRWGKFGFFU-WFASDCNBSA-N -1 1 367.779 4.344 20 0 FIADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)[nH]n1 ZINC000605432277 1115895080 /nfs/dbraw/zinc/89/50/80/1115895080.db2.gz QOBMOFPSJUDOAR-UHFFFAOYSA-N -1 1 355.463 4.175 20 0 FIADMM O=C(CCc1ccc(Br)cc1F)Nc1c([O-])cccc1F ZINC000605437793 1115895421 /nfs/dbraw/zinc/89/54/21/1115895421.db2.gz PZHDSEWREZPNIQ-UHFFFAOYSA-N -1 1 356.166 4.004 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000606230504 1115930978 /nfs/dbraw/zinc/93/09/78/1115930978.db2.gz HYVNVYJMTSUGBY-QGZVFWFLSA-N -1 1 363.417 4.173 20 0 FIADMM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1cc(Cl)sc1Cl ZINC000606911008 1115981996 /nfs/dbraw/zinc/98/19/96/1115981996.db2.gz HTZBXHGURKKDGA-UHFFFAOYSA-N -1 1 366.266 4.162 20 0 FIADMM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc([O-])c(F)c1 ZINC000669754808 1116091608 /nfs/dbraw/zinc/09/16/08/1116091608.db2.gz ABNROCJEMHDFGH-UHFFFAOYSA-N -1 1 361.266 4.254 20 0 FIADMM Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1N1CCOC1=O ZINC000174048818 1116111386 /nfs/dbraw/zinc/11/13/86/1116111386.db2.gz BHQRIIVMIRLOPU-UHFFFAOYSA-N -1 1 362.385 4.063 20 0 FIADMM CC[C@H](C)C[C@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000174535584 1116139628 /nfs/dbraw/zinc/13/96/28/1116139628.db2.gz CGYQUAJNXFSGOM-RYUDHWBXSA-N -1 1 352.529 4.000 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000609015577 1116140609 /nfs/dbraw/zinc/14/06/09/1116140609.db2.gz ASQHFCKFHCVCGA-UHFFFAOYSA-N -1 1 353.534 4.115 20 0 FIADMM CC(C)Cc1csc2nc(-c3cccc(OCC(F)F)n3)[n-]c(=O)c12 ZINC000534058308 1116153648 /nfs/dbraw/zinc/15/36/48/1116153648.db2.gz FOWAFKHMNLAIKN-UHFFFAOYSA-N -1 1 365.405 4.301 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccc2cnccc21 ZINC000534594235 1116215774 /nfs/dbraw/zinc/21/57/74/1116215774.db2.gz ABWVWUHMJLWIIQ-UHFFFAOYSA-N -1 1 354.822 4.014 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000462770289 1117767435 /nfs/dbraw/zinc/76/74/35/1117767435.db2.gz XZCODMVKLFQZCM-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM CCc1c(C)sc2nc(-c3ccc(OC4CCOCC4)cc3)[n-]c(=O)c12 ZINC000463233395 1118039904 /nfs/dbraw/zinc/03/99/04/1118039904.db2.gz NLEMLRDNFATAEY-UHFFFAOYSA-N -1 1 370.474 4.493 20 0 FIADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000491301024 1118262662 /nfs/dbraw/zinc/26/26/62/1118262662.db2.gz RPQDDIKCCILOHQ-UKRRQHHQSA-N -1 1 374.278 4.248 20 0 FIADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000541078197 1118381268 /nfs/dbraw/zinc/38/12/68/1118381268.db2.gz KCCDPLJHUMWTCC-UHFFFAOYSA-N -1 1 372.446 4.238 20 0 FIADMM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2c(cccc2F)s1 ZINC000030060190 1118971244 /nfs/dbraw/zinc/97/12/44/1118971244.db2.gz CQGVSUDRIIWAIN-UHFFFAOYSA-N -1 1 372.465 4.018 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000491650518 1118971827 /nfs/dbraw/zinc/97/18/27/1118971827.db2.gz BEFHHTSBDFRXIE-UHFFFAOYSA-N -1 1 364.225 4.080 20 0 FIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c1 ZINC000172884944 1118987337 /nfs/dbraw/zinc/98/73/37/1118987337.db2.gz RCGOIKKEBRMRFM-UHFFFAOYSA-N -1 1 369.446 4.193 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000491979420 1119000627 /nfs/dbraw/zinc/00/06/27/1119000627.db2.gz OXIDQRSHGXHZOX-JKSUJKDBSA-N -1 1 353.809 4.178 20 0 FIADMM COc1cccc([C@@H](C)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1 ZINC000152155989 1119127676 /nfs/dbraw/zinc/12/76/76/1119127676.db2.gz FRBJRXFAFYLWIA-GFCCVEGCSA-N -1 1 353.340 4.066 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000031382332 1119473081 /nfs/dbraw/zinc/47/30/81/1119473081.db2.gz DIKOWBKHKDMJIU-RDJZCZTQSA-N -1 1 372.538 4.343 20 0 FIADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2sccc2Cl)[nH][n-]1 ZINC000493622030 1119481727 /nfs/dbraw/zinc/48/17/27/1119481727.db2.gz LIQAZOAAGRXTOL-UHFFFAOYSA-N -1 1 368.245 4.128 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(=O)c2ccccc2)c1 ZINC000182927630 1119562843 /nfs/dbraw/zinc/56/28/43/1119562843.db2.gz ZJQFSJKBGYHSGM-UHFFFAOYSA-N -1 1 362.223 4.065 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2scnc2C2CC2)c1 ZINC000182932712 1119563011 /nfs/dbraw/zinc/56/30/11/1119563011.db2.gz GAVIXIORFIKYPX-UHFFFAOYSA-N -1 1 353.241 4.049 20 0 FIADMM Cc1nc(CCCC(=O)Nc2cc(C)cc(Br)c2[O-])cs1 ZINC000182918345 1119563060 /nfs/dbraw/zinc/56/30/60/1119563060.db2.gz INNILIAXLKIONR-UHFFFAOYSA-N -1 1 369.284 4.189 20 0 FIADMM Cc1ccc(CS(=O)(=O)[N-]c2ccccc2Oc2ccncc2)cc1F ZINC000184197006 1119598492 /nfs/dbraw/zinc/59/84/92/1119598492.db2.gz OJWDKTNQDLOANL-UHFFFAOYSA-N -1 1 372.421 4.263 20 0 FIADMM Cc1ccnc(-c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3[O-])n2)c1 ZINC000761598904 1119664888 /nfs/dbraw/zinc/66/48/88/1119664888.db2.gz XQUWDKZJRYGHBO-UHFFFAOYSA-N -1 1 368.393 4.160 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nc(C)c(C)o2)c1 ZINC000187317228 1119777199 /nfs/dbraw/zinc/77/71/99/1119777199.db2.gz ISERGAWVFWRNEX-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188938932 1119807528 /nfs/dbraw/zinc/80/75/28/1119807528.db2.gz HPOISRCJJMITBA-UHFFFAOYSA-N -1 1 360.479 4.205 20 0 FIADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190951452 1119955306 /nfs/dbraw/zinc/95/53/06/1119955306.db2.gz KFUPEDSDISLRJM-LLVKDONJSA-N -1 1 361.829 4.218 20 0 FIADMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1Br ZINC000190973287 1119956674 /nfs/dbraw/zinc/95/66/74/1119956674.db2.gz OJMLQGJYUJGHNF-UHFFFAOYSA-N -1 1 371.618 4.461 20 0 FIADMM CCc1onc(C)c1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191843557 1119998653 /nfs/dbraw/zinc/99/86/53/1119998653.db2.gz MFBAMZIJLADVKC-UHFFFAOYSA-N -1 1 354.391 4.062 20 0 FIADMM O=C(Nc1nnc(/C=C/c2ccco2)s1)Nc1ccc([O-])c(Cl)c1 ZINC000192239825 1120044636 /nfs/dbraw/zinc/04/46/36/1120044636.db2.gz BBVPHVIGIGKIHX-GQCTYLIASA-N -1 1 362.798 4.305 20 0 FIADMM CCCCc1nc(CSc2nc([O-])cc(=O)n2C2CCCC2)cs1 ZINC000192471997 1120063514 /nfs/dbraw/zinc/06/35/14/1120063514.db2.gz DUHHVDDXDCREPS-UHFFFAOYSA-N -1 1 365.524 4.155 20 0 FIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2C1 ZINC000542517964 1120342354 /nfs/dbraw/zinc/34/23/54/1120342354.db2.gz MBIPPEPDIVTIHV-UHFFFAOYSA-N -1 1 362.470 4.051 20 0 FIADMM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc(Cl)cc(Cl)c1F ZINC001127308596 1120345550 /nfs/dbraw/zinc/34/55/50/1120345550.db2.gz SWNJMOLTQLCHIQ-UHFFFAOYSA-N -1 1 369.208 4.298 20 0 FIADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccc(F)c(F)c1F ZINC000465458592 1120392157 /nfs/dbraw/zinc/39/21/57/1120392157.db2.gz JCPYVVZYFCRKQA-UHFFFAOYSA-N -1 1 355.385 4.331 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231656883 1120636892 /nfs/dbraw/zinc/63/68/92/1120636892.db2.gz TYWHMPBPTXAJKZ-UHFFFAOYSA-N -1 1 372.259 4.260 20 0 FIADMM Cc1csc(-c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3[O-])n2)n1 ZINC000762074973 1120696440 /nfs/dbraw/zinc/69/64/40/1120696440.db2.gz RDRSPGYVRQMVRX-UHFFFAOYSA-N -1 1 374.422 4.221 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(SC(C)(C)C)nc3)no2)c([O-])c1 ZINC000762347369 1120880552 /nfs/dbraw/zinc/88/05/52/1120880552.db2.gz DLWXTCZOZPJHMG-UHFFFAOYSA-N -1 1 357.435 4.403 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc(Cl)c1[O-] ZINC000762582155 1120933550 /nfs/dbraw/zinc/93/35/50/1120933550.db2.gz MQZXYDKHORQUIB-UHFFFAOYSA-N -1 1 369.248 4.416 20 0 FIADMM CCOc1cc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000762610044 1120938029 /nfs/dbraw/zinc/93/80/29/1120938029.db2.gz DILOZJQPJUPJNF-GFCCVEGCSA-N -1 1 361.825 4.180 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3nc(Cl)sc3C)n2)s1 ZINC000762865813 1120971451 /nfs/dbraw/zinc/97/14/51/1120971451.db2.gz SLMJOXHYMHCRQW-UHFFFAOYSA-N -1 1 356.885 4.246 20 0 FIADMM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2ccccc2cc1[O-] ZINC000030001453 1121054371 /nfs/dbraw/zinc/05/43/71/1121054371.db2.gz TUIJAJQILCCVID-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc(Cl)ccc1[O-] ZINC000031075403 1121074731 /nfs/dbraw/zinc/07/47/31/1121074731.db2.gz FMQVOCAKAVRKBK-UHFFFAOYSA-N -1 1 359.731 4.216 20 0 FIADMM Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000043136812 1121186430 /nfs/dbraw/zinc/18/64/30/1121186430.db2.gz LDZOFMMSTFSLII-UHFFFAOYSA-N -1 1 352.434 4.136 20 0 FIADMM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001626056102 1121198689 /nfs/dbraw/zinc/19/86/89/1121198689.db2.gz UMZPGVCUKGIVLF-NSHDSACASA-N -1 1 353.340 4.219 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000055595093 1121255633 /nfs/dbraw/zinc/25/56/33/1121255633.db2.gz IRUNNZWXIKZVNZ-UHFFFAOYSA-N -1 1 374.506 4.442 20 0 FIADMM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1[O-] ZINC000046534293 1121282208 /nfs/dbraw/zinc/28/22/08/1121282208.db2.gz RBCSJNHIDRORIM-UHFFFAOYSA-N -1 1 357.303 4.062 20 0 FIADMM COc1ccc(-c2nsc([N-]C(=O)c3sccc3Cl)n2)cc1 ZINC000671718518 1121452279 /nfs/dbraw/zinc/45/22/79/1121452279.db2.gz RHQRRJVSXRHVTR-UHFFFAOYSA-N -1 1 351.840 4.181 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879258 1121593165 /nfs/dbraw/zinc/59/31/65/1121593165.db2.gz VONKSIBYBNNVSM-UHFFFAOYSA-N -1 1 362.451 4.422 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1 ZINC000064467880 1121614655 /nfs/dbraw/zinc/61/46/55/1121614655.db2.gz FOFOROQXQSFDPS-UHFFFAOYSA-N -1 1 362.520 4.200 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nc(C)cc2C)cc1 ZINC000064475638 1121615960 /nfs/dbraw/zinc/61/59/60/1121615960.db2.gz RTTUFNIEHHHUHL-UHFFFAOYSA-N -1 1 373.503 4.012 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1C ZINC000064621315 1121623762 /nfs/dbraw/zinc/62/37/62/1121623762.db2.gz CDDXHAYZMLNGRU-UHFFFAOYSA-N -1 1 355.463 4.111 20 0 FIADMM CC[C@@H](C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)c1ccccc1 ZINC000068435850 1121829113 /nfs/dbraw/zinc/82/91/13/1121829113.db2.gz ODWWLHFIMMHZKS-QGZVFWFLSA-N -1 1 372.538 4.421 20 0 FIADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[nH]n1 ZINC000126170158 1121927018 /nfs/dbraw/zinc/92/70/18/1121927018.db2.gz BGUVVJKCBNWWIF-UHFFFAOYSA-N -1 1 367.780 4.006 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1CC1(C)C ZINC001212220124 1122034801 /nfs/dbraw/zinc/03/48/01/1122034801.db2.gz YHLPBRKRMOJBKR-SCZZXKLOSA-N -1 1 354.274 4.236 20 0 FIADMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1Nc1cccnc1N ZINC001212408548 1122148705 /nfs/dbraw/zinc/14/87/05/1122148705.db2.gz GHLGNMFJGHBRLA-UHFFFAOYSA-N -1 1 365.277 4.028 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1 ZINC000055592152 1122255174 /nfs/dbraw/zinc/25/51/74/1122255174.db2.gz OARUZLWVMUIGRC-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC3(CCCC3)C2)c([O-])c1 ZINC000174852483 1122399248 /nfs/dbraw/zinc/39/92/48/1122399248.db2.gz TZHWQSHGOZPRKH-UHFFFAOYSA-N -1 1 360.454 4.146 20 0 FIADMM CCOc1ccc(OCC)c([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c1 ZINC000917728255 1122419839 /nfs/dbraw/zinc/41/98/39/1122419839.db2.gz RKLYAAQSOSSTHT-SEYXRHQNSA-N -1 1 361.463 4.205 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)cc1 ZINC000917763775 1122437838 /nfs/dbraw/zinc/43/78/38/1122437838.db2.gz OBRBMEFAYLGWLZ-UHFFFAOYSA-N -1 1 353.443 4.375 20 0 FIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000497977477 1122497013 /nfs/dbraw/zinc/49/70/13/1122497013.db2.gz ZNGZEOVNMBAUON-QMMMGPOBSA-N -1 1 366.493 4.073 20 0 FIADMM Cc1ccc(NC(=O)C=C2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000918568623 1122705504 /nfs/dbraw/zinc/70/55/04/1122705504.db2.gz RGHZSDKCDVQGCR-UHFFFAOYSA-N -1 1 370.474 4.235 20 0 FIADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1 ZINC000556302649 1122792076 /nfs/dbraw/zinc/79/20/76/1122792076.db2.gz CYQNKLMOWLEHIA-UHFFFAOYSA-N -1 1 363.817 4.062 20 0 FIADMM CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)ccc1C ZINC000556351712 1122834044 /nfs/dbraw/zinc/83/40/44/1122834044.db2.gz COVPJRJADSQERF-UHFFFAOYSA-N -1 1 361.463 4.033 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1F ZINC000071975629 1122963196 /nfs/dbraw/zinc/96/31/96/1122963196.db2.gz NHGVSURTTPAONU-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc2[nH]ncc21 ZINC000499264551 1123379175 /nfs/dbraw/zinc/37/91/75/1123379175.db2.gz HYGHTJWXMYRZAR-UHFFFAOYSA-N -1 1 362.263 4.040 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc2[nH]ncc21 ZINC000499267509 1123386532 /nfs/dbraw/zinc/38/65/32/1123386532.db2.gz QLEFFJGSCWBOIZ-UHFFFAOYSA-N -1 1 370.261 4.287 20 0 FIADMM COc1cc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)ccc1OC(C)C ZINC000920445780 1123457955 /nfs/dbraw/zinc/45/79/55/1123457955.db2.gz FMULSDAEFRZWMQ-GFCCVEGCSA-N -1 1 363.841 4.332 20 0 FIADMM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000920462290 1123459643 /nfs/dbraw/zinc/45/96/43/1123459643.db2.gz BUIYEZPVFJGFIQ-SNVBAGLBSA-N -1 1 373.758 4.262 20 0 FIADMM O=C(c1c([O-])cccc1Cl)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000920436388 1123461024 /nfs/dbraw/zinc/46/10/24/1123461024.db2.gz JEUZXVKRKMLETQ-UHFFFAOYSA-N -1 1 359.853 4.236 20 0 FIADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135113051 1123718750 /nfs/dbraw/zinc/71/87/50/1123718750.db2.gz GHIZJSLCJKASGY-JTQLQIEISA-N -1 1 352.203 4.127 20 0 FIADMM CCOc1cc(-c2noc(C3CC=CC3)n2)cc(Br)c1[O-] ZINC000077967857 1123725826 /nfs/dbraw/zinc/72/58/26/1123725826.db2.gz OVRBHROMIBJPJP-UHFFFAOYSA-N -1 1 351.200 4.037 20 0 FIADMM COCc1ccc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000137510957 1123975242 /nfs/dbraw/zinc/97/52/42/1123975242.db2.gz BJOMSEUXIGVQFF-CQSZACIVSA-N -1 1 369.339 4.128 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c1 ZINC000080939063 1123977853 /nfs/dbraw/zinc/97/78/53/1123977853.db2.gz GCDDCVCLACSVNL-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1coc(-c2ccccc2)n1 ZINC000152660239 1123987857 /nfs/dbraw/zinc/98/78/57/1123987857.db2.gz DTCPFZZAAIWUSM-CMDGGOBGSA-N -1 1 364.386 4.209 20 0 FIADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc2c(ccnc2Cl)s1 ZINC001128101065 1124143422 /nfs/dbraw/zinc/14/34/22/1124143422.db2.gz LMLCPSVBNUWBCE-UHFFFAOYSA-N -1 1 359.741 4.100 20 0 FIADMM CC(C)n1c(C2CCN(C(=O)C=Cc3ccccc3F)CC2)n[n-]c1=S ZINC000068446907 1124237391 /nfs/dbraw/zinc/23/73/91/1124237391.db2.gz XHDISXKPPMYXNR-BQYQJAHWSA-N -1 1 374.485 4.080 20 0 FIADMM CCc1ccc([C@@H](C)C(=O)N2CCC(c3n[n-]c(=S)n3CC)CC2)cc1 ZINC000068453673 1124248079 /nfs/dbraw/zinc/24/80/79/1124248079.db2.gz HAFMPQZXSGAGTD-CQSZACIVSA-N -1 1 372.538 4.033 20 0 FIADMM O=C(Nc1nc(C2CCOCC2)cs1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672329571 1125016248 /nfs/dbraw/zinc/01/62/48/1125016248.db2.gz SFCUAHJZVNHEAG-UHFFFAOYSA-N -1 1 372.368 4.014 20 0 FIADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)c(F)c(F)c1F ZINC000077649394 1125241393 /nfs/dbraw/zinc/24/13/93/1125241393.db2.gz ROKXZPGFTBEYNE-UHFFFAOYSA-N -1 1 353.300 4.014 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(C(F)(F)F)s1 ZINC000672743400 1125260585 /nfs/dbraw/zinc/26/05/85/1125260585.db2.gz BQSAMVGWCDYNCW-UHFFFAOYSA-N -1 1 353.325 4.115 20 0 FIADMM [O-]c1cccnc1-c1nc(-c2ccc(Cl)c(OC(F)(F)F)c2)no1 ZINC001212480930 1125300691 /nfs/dbraw/zinc/30/06/91/1125300691.db2.gz QFLNSVRHBIODTO-UHFFFAOYSA-N -1 1 357.675 4.056 20 0 FIADMM [O-]c1cccnc1-c1nc(-c2cc(C(F)(F)F)cc(Cl)c2F)no1 ZINC001212480846 1125300987 /nfs/dbraw/zinc/30/09/87/1125300987.db2.gz MDKYBASHLZTXGD-UHFFFAOYSA-N -1 1 359.666 4.316 20 0 FIADMM [O-]c1cccnc1-c1nc(-c2cc(F)c(Cl)c(Br)c2)no1 ZINC001212482677 1125304924 /nfs/dbraw/zinc/30/49/24/1125304924.db2.gz SMCKOZDFMXGQFH-UHFFFAOYSA-N -1 1 370.565 4.059 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1 ZINC000014256600 209587492 /nfs/dbraw/zinc/58/74/92/209587492.db2.gz QUALPMLSVUUTSV-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc2o1 ZINC000058744623 221122934 /nfs/dbraw/zinc/12/29/34/221122934.db2.gz VJAUNCWHGXPZAM-UHFFFAOYSA-N -1 1 370.474 4.415 20 0 FIADMM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603879599 568175923 /nfs/dbraw/zinc/17/59/23/568175923.db2.gz AWEZFJYXFHQHAZ-CYBMUJFWSA-N -1 1 353.447 4.043 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1 ZINC000005089958 568378176 /nfs/dbraw/zinc/37/81/76/568378176.db2.gz RDKCCGIMGHGNBU-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(Br)c1 ZINC000028195590 568519493 /nfs/dbraw/zinc/51/94/93/568519493.db2.gz VVTSNIPHLKGHDG-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2ccnc(Cl)c2)c1 ZINC000182912154 1125675928 /nfs/dbraw/zinc/67/59/28/1125675928.db2.gz IQXVRUMAXICCTR-NSCUHMNNSA-N -1 1 367.630 4.163 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1 ZINC000152976858 1125706780 /nfs/dbraw/zinc/70/67/80/1125706780.db2.gz VZHHPMPJGSGOFV-UHFFFAOYSA-N -1 1 363.332 4.044 20 0 FIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc21 ZINC000063476151 1079590433 /nfs/dbraw/zinc/59/04/33/1079590433.db2.gz YTRJRHYFDYIILP-UHFFFAOYSA-N -1 1 350.390 4.130 20 0 FIADMM CCOc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)cc(Cl)c1[O-] ZINC000186778464 1079638820 /nfs/dbraw/zinc/63/88/20/1079638820.db2.gz RDEXYLAQSXOOCP-CYBMUJFWSA-N -1 1 366.870 4.268 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(Cl)cc1F ZINC000471132130 1079770727 /nfs/dbraw/zinc/77/07/27/1079770727.db2.gz HKSFPFUSKOMEDP-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)o1 ZINC000029433200 1079904071 /nfs/dbraw/zinc/90/40/71/1079904071.db2.gz CKSWNHIJXNYCRQ-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001625801082 1079999936 /nfs/dbraw/zinc/99/99/36/1079999936.db2.gz ONXQHFMNSCIVBV-RBUKOAKNSA-N -1 1 373.880 4.293 20 0 FIADMM Cc1c2cc(F)ccc2oc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000021445801 1080013057 /nfs/dbraw/zinc/01/30/57/1080013057.db2.gz DHDCXKFWQBXAEQ-UHFFFAOYSA-N -1 1 368.316 4.049 20 0 FIADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(F)c(F)c(F)c1F ZINC000109110396 1080047194 /nfs/dbraw/zinc/04/71/94/1080047194.db2.gz HMSZGBLYHOEUBW-UHFFFAOYSA-N -1 1 359.329 4.075 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2nsc3ccc(C)cc32)c(F)c1F ZINC001266343398 1080364209 /nfs/dbraw/zinc/36/42/09/1080364209.db2.gz IAODZWPFTBVYIT-UHFFFAOYSA-N -1 1 364.348 4.477 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000080607869 1080533803 /nfs/dbraw/zinc/53/38/03/1080533803.db2.gz CDVJBGJQXFBXON-UHFFFAOYSA-N -1 1 366.465 4.065 20 0 FIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1coc(C2CC2)n1 ZINC000683345425 1080686608 /nfs/dbraw/zinc/68/66/08/1080686608.db2.gz ZXNCLGFESALXHH-AWEZNQCLSA-N -1 1 366.446 4.124 20 0 FIADMM O=C(c1cccc([O-])c1F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001625860593 1080728448 /nfs/dbraw/zinc/72/84/48/1080728448.db2.gz IWGOMAUQRUOZRM-QGZVFWFLSA-N -1 1 371.305 4.261 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3coc(C4CCC4)n3)n2)cc1 ZINC000683444763 1080998771 /nfs/dbraw/zinc/99/87/71/1080998771.db2.gz QXDKSRONBCYNEZ-UHFFFAOYSA-N -1 1 372.475 4.435 20 0 FIADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccc(OC(F)F)cc1 ZINC000683455635 1081029419 /nfs/dbraw/zinc/02/94/19/1081029419.db2.gz XPWVOBHPZAKKBX-SECBINFHSA-N -1 1 366.389 4.025 20 0 FIADMM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000683524223 1081048239 /nfs/dbraw/zinc/04/82/39/1081048239.db2.gz XXVUGCDZGFSUKA-CYBMUJFWSA-N -1 1 365.685 4.357 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000063444093 1081073400 /nfs/dbraw/zinc/07/34/00/1081073400.db2.gz OAHPWPBDFYCPFO-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM CCCCCCN(Cc1ccco1)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000890936651 1081108553 /nfs/dbraw/zinc/10/85/53/1081108553.db2.gz PMWFKTVXBZXLCF-UHFFFAOYSA-N -1 1 363.483 4.028 20 0 FIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000547955193 1081195490 /nfs/dbraw/zinc/19/54/90/1081195490.db2.gz CMRXLWGSRSISBC-UHFFFAOYSA-N -1 1 373.453 4.303 20 0 FIADMM C[S@@](=O)Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1Cl ZINC000115267085 1081549084 /nfs/dbraw/zinc/54/90/84/1081549084.db2.gz DONGLUTUISHENI-VWLOTQADSA-N -1 1 373.861 4.330 20 0 FIADMM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cc(F)c([O-])c(F)c1 ZINC000255500050 1081924660 /nfs/dbraw/zinc/92/46/60/1081924660.db2.gz QXIDUWJJLVWJLI-WZUFQYTHSA-N -1 1 360.385 4.003 20 0 FIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000055595118 1082018405 /nfs/dbraw/zinc/01/84/05/1082018405.db2.gz ZHBBHUVEOJUHRH-UHFFFAOYSA-N -1 1 363.479 4.059 20 0 FIADMM Cc1oc(C[N@@H+](C)CCCc2ccccc2Br)cc1C(=O)[O-] ZINC000580652473 1082064489 /nfs/dbraw/zinc/06/44/89/1082064489.db2.gz GPFKEEQKZZNNAT-UHFFFAOYSA-N -1 1 366.255 4.113 20 0 FIADMM CCc1nc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)[n-]c(=O)c1C ZINC000580785052 1082137685 /nfs/dbraw/zinc/13/76/85/1082137685.db2.gz MZCGMDFBOWLBIZ-ZDUSSCGKSA-N -1 1 367.474 4.326 20 0 FIADMM O=S(=O)(c1ccc(-c2cc(F)c([O-])cc2F)cc1)c1ccccc1F ZINC001211353570 1082156507 /nfs/dbraw/zinc/15/65/07/1082156507.db2.gz XVPRZLIOBBWVAK-UHFFFAOYSA-N -1 1 364.344 4.309 20 0 FIADMM C[S@@](=O)Cc1cccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1 ZINC001167439806 1082244156 /nfs/dbraw/zinc/24/41/56/1082244156.db2.gz IFVCQEDQSVMZQK-RUZDIDTESA-N -1 1 373.861 4.330 20 0 FIADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000525523372 1082258550 /nfs/dbraw/zinc/25/85/50/1082258550.db2.gz BANONAQBHDLESV-UHFFFAOYSA-N -1 1 359.369 4.082 20 0 FIADMM Cc1ccc(-c2nnc([C@H](C)O[N-]C(=O)CCCc3ccccc3)o2)cc1 ZINC000160778100 1082334515 /nfs/dbraw/zinc/33/45/15/1082334515.db2.gz KZPLIDOTHVDGTN-INIZCTEOSA-N -1 1 365.433 4.177 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(Oc2ccccc2Cl)CC1 ZINC000581158953 1082346862 /nfs/dbraw/zinc/34/68/62/1082346862.db2.gz OAVQKSJQQVYGGD-UHFFFAOYSA-N -1 1 367.779 4.007 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(C2CC2)s1)c1cccc(C(F)(F)F)c1 ZINC000581180594 1082361729 /nfs/dbraw/zinc/36/17/29/1082361729.db2.gz WFQRKPGHEOQEMW-AWEZNQCLSA-N -1 1 370.396 4.345 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)C=Cc2cccs2)CC1 ZINC000068435565 1082475148 /nfs/dbraw/zinc/47/51/48/1082475148.db2.gz ZSAIJBOKSAMGEV-AATRIKPKSA-N -1 1 362.524 4.002 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1C ZINC000088086094 1082498703 /nfs/dbraw/zinc/49/87/03/1082498703.db2.gz AWHJRRPOKFRMAQ-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(=O)[nH]c(C4CC4)c3)n2)cc(Cl)c1[O-] ZINC000581421839 1082555034 /nfs/dbraw/zinc/55/50/34/1082555034.db2.gz GQEZVFDTMZFQJE-UHFFFAOYSA-N -1 1 373.796 4.139 20 0 FIADMM CCCCCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000121384173 1082592992 /nfs/dbraw/zinc/59/29/92/1082592992.db2.gz FECAIIVSHGWAKL-UHFFFAOYSA-N -1 1 356.447 4.275 20 0 FIADMM O=C([O-])[C@@H](NCc1cccc(OC2CC2)c1F)c1ccc(Cl)c(F)c1 ZINC000656573890 1082593071 /nfs/dbraw/zinc/59/30/71/1082593071.db2.gz QNNZTNRJDBGWBV-KRWDZBQOSA-N -1 1 367.779 4.075 20 0 FIADMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)c1 ZINC000656630140 1082645992 /nfs/dbraw/zinc/64/59/92/1082645992.db2.gz XAJHMMDYRUEBJB-LBPRGKRZSA-N -1 1 365.426 4.006 20 0 FIADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(SC)ccc1Cl)c1ccccc1 ZINC000656633261 1082649850 /nfs/dbraw/zinc/64/98/50/1082649850.db2.gz ARNOGLLHXFJPCA-INIZCTEOSA-N -1 1 371.911 4.191 20 0 FIADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1NC(=O)c1ccccc1 ZINC000605437863 1082688508 /nfs/dbraw/zinc/68/85/08/1082688508.db2.gz BKTNDGUREHXPPK-UHFFFAOYSA-N -1 1 364.376 4.344 20 0 FIADMM CC[C@@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756854 1082751311 /nfs/dbraw/zinc/75/13/11/1082751311.db2.gz ILQWEZUWGYLTRQ-BFVZDQMLSA-N -1 1 351.315 4.001 20 0 FIADMM CC[C@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=S)n2CC)C1)c1ccccc1 ZINC000078622237 1082831322 /nfs/dbraw/zinc/83/13/22/1082831322.db2.gz PHBZIPXKWJPWHC-NVXWUHKLSA-N -1 1 372.538 4.250 20 0 FIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccsc1 ZINC000022537185 1082834748 /nfs/dbraw/zinc/83/47/48/1082834748.db2.gz CSCLHLRCKOJMKN-UHFFFAOYSA-N -1 1 368.439 4.070 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc2sc(N3CCCC3)nc2s1 ZINC000684472039 1083034603 /nfs/dbraw/zinc/03/46/03/1083034603.db2.gz YTWYVRAAGRFRGD-UHFFFAOYSA-N -1 1 363.439 4.055 20 0 FIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1c(F)cccc1F ZINC000426292808 1083135037 /nfs/dbraw/zinc/13/50/37/1083135037.db2.gz WENHEVUQCXOBQO-UHFFFAOYSA-N -1 1 365.792 4.313 20 0 FIADMM COc1ccc(-c2nc(-c3cc(F)cc(Br)c3)no2)c([O-])c1 ZINC000317679000 1083309489 /nfs/dbraw/zinc/30/94/89/1083309489.db2.gz HDYOVIGZJFDIAR-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000132591855 1083414682 /nfs/dbraw/zinc/41/46/82/1083414682.db2.gz XTNGFWXXJFZJKL-UHFFFAOYSA-N -1 1 372.471 4.204 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1 ZINC000471962932 1083440493 /nfs/dbraw/zinc/44/04/93/1083440493.db2.gz GOKYJRMHPPLDMS-UHFFFAOYSA-N -1 1 351.493 4.307 20 0 FIADMM Cc1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)c(C(F)(F)F)o1 ZINC000472369322 1083456986 /nfs/dbraw/zinc/45/69/86/1083456986.db2.gz PLUSPWPXUDKAPO-UHFFFAOYSA-N -1 1 359.354 4.439 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)OCc2ccccc2)c1 ZINC000187733782 1083502346 /nfs/dbraw/zinc/50/23/46/1083502346.db2.gz MUCZJNDARLMRRC-LBPRGKRZSA-N -1 1 364.239 4.007 20 0 FIADMM CC(C)(C)c1coc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000892474210 1083587931 /nfs/dbraw/zinc/58/79/31/1083587931.db2.gz GWXBSHAAMPXZFU-UHFFFAOYSA-N -1 1 353.753 4.353 20 0 FIADMM CC(C)(C)C(=O)NCCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232887 1083590528 /nfs/dbraw/zinc/59/05/28/1083590528.db2.gz SXEDDTQWKPGYAB-UHFFFAOYSA-N -1 1 362.857 4.080 20 0 FIADMM COc1cc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000458104641 1083596361 /nfs/dbraw/zinc/59/63/61/1083596361.db2.gz WXFFVBAZAMOKAW-RDJZCZTQSA-N -1 1 359.853 4.463 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@@H]2CCCC[C@H]12 ZINC000535722730 1083602907 /nfs/dbraw/zinc/60/29/07/1083602907.db2.gz CPQLMWCJMDCOLI-UXIGCNINSA-N -1 1 352.272 4.196 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2cc(F)c(F)cc21 ZINC000548930127 1083806812 /nfs/dbraw/zinc/80/68/12/1083806812.db2.gz NUZSJUYSXKMMNZ-UHFFFAOYSA-N -1 1 360.747 4.075 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](c2ccccc2)C1 ZINC000584487967 1083899237 /nfs/dbraw/zinc/89/92/37/1083899237.db2.gz IWPXHCPFGSPCKG-HNNXBMFYSA-N -1 1 360.251 4.175 20 0 FIADMM COc1ccc(CO)cc1Nc1c([O-])c(Br)ccc1Cl ZINC001211532719 1083911052 /nfs/dbraw/zinc/91/10/52/1083911052.db2.gz CEBUEMAZTPYHKE-UHFFFAOYSA-N -1 1 358.619 4.053 20 0 FIADMM CCc1nc(SCc2cc(OC)ccc2Br)[n-]c(=O)c1C ZINC000657263828 1084130742 /nfs/dbraw/zinc/13/07/42/1084130742.db2.gz ZCOZJLLPNAMWSN-UHFFFAOYSA-N -1 1 369.284 4.116 20 0 FIADMM CCc1nc(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)[n-]c(=O)c1C ZINC000657264956 1084138379 /nfs/dbraw/zinc/13/83/79/1084138379.db2.gz UBPJMQFLQPTXLA-QGZVFWFLSA-N -1 1 373.522 4.425 20 0 FIADMM CCc1nc(SCc2nnc(-c3cccc(Cl)c3)o2)[n-]c(=O)c1C ZINC000657264929 1084138434 /nfs/dbraw/zinc/13/84/34/1084138434.db2.gz LKAZDRPVJOCOHB-UHFFFAOYSA-N -1 1 362.842 4.049 20 0 FIADMM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)c2nccn21 ZINC000843601685 1084310293 /nfs/dbraw/zinc/31/02/93/1084310293.db2.gz JLKYPPDKZGPYPQ-LDYMZIIASA-N -1 1 360.191 4.104 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1C ZINC000071977090 1084493991 /nfs/dbraw/zinc/49/39/91/1084493991.db2.gz KEIRDOLWZSZQKV-UHFFFAOYSA-N -1 1 355.406 4.322 20 0 FIADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000051467805 1084710157 /nfs/dbraw/zinc/71/01/57/1084710157.db2.gz RAQPYYGVSGHTLA-BEFAXECRSA-N -1 1 359.853 4.286 20 0 FIADMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000582186804 1084755322 /nfs/dbraw/zinc/75/53/22/1084755322.db2.gz RNSYVNKSYWBCIP-GOSISDBHSA-N -1 1 364.898 4.074 20 0 FIADMM CCCc1sc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1CC ZINC000066640724 1084830172 /nfs/dbraw/zinc/83/01/72/1084830172.db2.gz DIQSSZSKUKPBCU-UHFFFAOYSA-N -1 1 352.529 4.028 20 0 FIADMM CCOc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc(Cl)c1[O-] ZINC000170681448 1084833428 /nfs/dbraw/zinc/83/34/28/1084833428.db2.gz NOFPRVTUXVUPJQ-UHFFFAOYSA-N -1 1 363.816 4.388 20 0 FIADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccccc1Oc1ccncc1 ZINC000178184811 1084839086 /nfs/dbraw/zinc/83/90/86/1084839086.db2.gz OHUOZQNKXHSKKL-SDNWHVSQSA-N -1 1 370.405 4.426 20 0 FIADMM O=C([O-])CC[N@@H+](CCc1ccc(Cl)cc1)Cc1cccc(F)c1F ZINC000582365214 1084909851 /nfs/dbraw/zinc/90/98/51/1084909851.db2.gz MBRZEDROGXPDFC-UHFFFAOYSA-N -1 1 353.796 4.138 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000684833545 1084911152 /nfs/dbraw/zinc/91/11/52/1084911152.db2.gz XPJDIBQVURYUTJ-UHFFFAOYSA-N -1 1 359.447 4.227 20 0 FIADMM CCOc1cc(-c2noc(C(F)=C(C)C)n2)cc(Br)c1[O-] ZINC000158218658 1084928758 /nfs/dbraw/zinc/92/87/58/1084928758.db2.gz PAFIVXVNIXDELF-UHFFFAOYSA-N -1 1 357.179 4.324 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000685899056 1084953523 /nfs/dbraw/zinc/95/35/23/1084953523.db2.gz HKGUOHLXZMPCFI-UHFFFAOYSA-N -1 1 360.262 4.249 20 0 FIADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000175551469 1084965169 /nfs/dbraw/zinc/96/51/69/1084965169.db2.gz MTIBRXJKZMSIMQ-RMKBEBRYSA-N -1 1 367.470 4.116 20 0 FIADMM COc1cc(-c2noc([C@@H]3C[C@H]3C3CCC3)n2)cc(Br)c1[O-] ZINC000582424276 1084992764 /nfs/dbraw/zinc/99/27/64/1084992764.db2.gz BZMSKXIMDVCXGH-WDEREUQCSA-N -1 1 365.227 4.117 20 0 FIADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN(CC(=O)[O-])C(C)C ZINC000582425641 1084993255 /nfs/dbraw/zinc/99/32/55/1084993255.db2.gz HAQFWNSTGIQDSQ-UHFFFAOYSA-N -1 1 372.412 4.432 20 0 FIADMM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684870630 1084999470 /nfs/dbraw/zinc/99/94/70/1084999470.db2.gz GOYPAVLUHMQOSR-INIZCTEOSA-N -1 1 365.351 4.397 20 0 FIADMM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871213 1085001834 /nfs/dbraw/zinc/00/18/34/1085001834.db2.gz BWAMVAMJJBQUPK-UHFFFAOYSA-N -1 1 359.307 4.120 20 0 FIADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874425 1085010195 /nfs/dbraw/zinc/01/01/95/1085010195.db2.gz VCSCTKBLTKXZLD-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877265 1085020043 /nfs/dbraw/zinc/02/00/43/1085020043.db2.gz NGPVXLRZQUWSDM-ZDUSSCGKSA-N -1 1 357.372 4.023 20 0 FIADMM CCOCCC1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCC1 ZINC000684877760 1085021571 /nfs/dbraw/zinc/02/15/71/1085021571.db2.gz XVNOXSVNYNSDQV-UHFFFAOYSA-N -1 1 359.388 4.128 20 0 FIADMM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)c([O-])c2)o1 ZINC000684878016 1085025349 /nfs/dbraw/zinc/02/53/49/1085025349.db2.gz IEPAROMLBZIGSE-AWEZNQCLSA-N -1 1 369.339 4.128 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000152698814 1085112312 /nfs/dbraw/zinc/11/23/12/1085112312.db2.gz WUILCXGMDZDUFD-IAGOWNOFSA-N -1 1 370.522 4.001 20 0 FIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000078237546 1085654471 /nfs/dbraw/zinc/65/44/71/1085654471.db2.gz DNJAJGMWPHHFSB-UHFFFAOYSA-N -1 1 360.479 4.133 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000078237171 1085654547 /nfs/dbraw/zinc/65/45/47/1085654547.db2.gz UXEBWAVSLZLOKK-UHFFFAOYSA-N -1 1 374.506 4.442 20 0 FIADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc([N+](=O)[O-])ccc1Cl ZINC000120378330 1085829560 /nfs/dbraw/zinc/82/95/60/1085829560.db2.gz ZOYQXNNUDATVKJ-UHFFFAOYSA-N -1 1 360.782 4.019 20 0 FIADMM O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1ccc(F)cc1 ZINC000022475011 1085958149 /nfs/dbraw/zinc/95/81/49/1085958149.db2.gz QSDABWQYCZHRHR-UHFFFAOYSA-N -1 1 365.373 4.281 20 0 FIADMM O=C([N-]C1(c2nccs2)CCCC1)C(F)(F)c1cc(F)cc(F)c1 ZINC001126193085 1086115247 /nfs/dbraw/zinc/11/52/47/1086115247.db2.gz WELWPGDJKAFWLQ-UHFFFAOYSA-N -1 1 358.360 4.099 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCCCS1 ZINC000583086877 1086171374 /nfs/dbraw/zinc/17/13/74/1086171374.db2.gz YOJJHIJIGGUMDL-JTQLQIEISA-N -1 1 350.665 4.032 20 0 FIADMM C[C@@H]1CCC[C@H]1CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253565349 1086246640 /nfs/dbraw/zinc/24/66/40/1086246640.db2.gz CCGFCCJDAOTHHW-DYEKYZERSA-N -1 1 369.490 4.278 20 0 FIADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000583147231 1086285209 /nfs/dbraw/zinc/28/52/09/1086285209.db2.gz KIHAUJHBEMOOQZ-GOSISDBHSA-N -1 1 357.837 4.061 20 0 FIADMM Cc1cnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)[n-]c1=O ZINC000569623694 1086397323 /nfs/dbraw/zinc/39/73/23/1086397323.db2.gz SAZYTVXFBLNVLJ-UHFFFAOYSA-N -1 1 359.495 4.468 20 0 FIADMM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC000427510233 1086446218 /nfs/dbraw/zinc/44/62/18/1086446218.db2.gz WFFGHOVVFPFZPV-HNNXBMFYSA-N -1 1 362.429 4.296 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(Cl)cc1Cl ZINC000536134429 1086973290 /nfs/dbraw/zinc/97/32/90/1086973290.db2.gz BIZMKWJCELWKEN-UHFFFAOYSA-N -1 1 365.669 4.459 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C3CCC3)cc2)c(=O)[n-]1 ZINC000278510023 1087049908 /nfs/dbraw/zinc/04/99/08/1087049908.db2.gz OTJNEINSFYWJMD-UHFFFAOYSA-N -1 1 357.479 4.051 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(-c4ccoc4)[nH]n3)n2)cc(Cl)c1[O-] ZINC000583973787 1087073028 /nfs/dbraw/zinc/07/30/28/1087073028.db2.gz GRUKCEVBQVGCEJ-UHFFFAOYSA-N -1 1 372.768 4.144 20 0 FIADMM CCS[C@H](C)c1noc(CN(C)C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000151504295 1087115432 /nfs/dbraw/zinc/11/54/32/1087115432.db2.gz WAYVAFUPJQEHMR-GFCCVEGCSA-N -1 1 371.462 4.015 20 0 FIADMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(F)cc1[O-] ZINC000536213048 1087169691 /nfs/dbraw/zinc/16/96/91/1087169691.db2.gz HEMONNNNUYEYED-UHFFFAOYSA-N -1 1 370.243 4.166 20 0 FIADMM CC[C@H](C)Oc1cccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000085576662 1087364058 /nfs/dbraw/zinc/36/40/58/1087364058.db2.gz MXVRXOLHGHUHQW-LBPRGKRZSA-N -1 1 363.487 4.021 20 0 FIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000584451291 1087435556 /nfs/dbraw/zinc/43/55/56/1087435556.db2.gz VLMGVZXQIIZMCI-UHFFFAOYSA-N -1 1 372.490 4.217 20 0 FIADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1c(F)cccc1Cl ZINC000685440725 1087568263 /nfs/dbraw/zinc/56/82/63/1087568263.db2.gz AEQMYMXQHBEXTG-UHFFFAOYSA-N -1 1 357.759 4.171 20 0 FIADMM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1c(F)ccc([O-])c1F ZINC000685445140 1087570316 /nfs/dbraw/zinc/57/03/16/1087570316.db2.gz HJTGEBOJKIREOY-QGZVFWFLSA-N -1 1 367.395 4.427 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000033933510 1087640879 /nfs/dbraw/zinc/64/08/79/1087640879.db2.gz DGJZZBFWUAXXQL-UHFFFAOYSA-N -1 1 369.442 4.172 20 0 FIADMM CSc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)o1 ZINC000569679214 1087673607 /nfs/dbraw/zinc/67/36/07/1087673607.db2.gz CKZKEWMXJIYAQZ-UHFFFAOYSA-N -1 1 362.632 4.375 20 0 FIADMM COc1c2ccccc2oc1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001269587260 1087734083 /nfs/dbraw/zinc/73/40/83/1087734083.db2.gz DBGKHCQXCVIQQI-UHFFFAOYSA-N -1 1 367.298 4.128 20 0 FIADMM O=C([O-])CC[C@H]1CCCCN1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000424257300 1087877157 /nfs/dbraw/zinc/87/71/57/1087877157.db2.gz KJGAYTAMVVNREK-GFCCVEGCSA-N -1 1 366.433 4.308 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000102900106 1087902535 /nfs/dbraw/zinc/90/25/35/1087902535.db2.gz GXWXVODEZLNIQG-QGZVFWFLSA-N -1 1 370.522 4.097 20 0 FIADMM CCOc1cc(-c2nc([C@@H](C)c3nccs3)no2)cc(Cl)c1[O-] ZINC000424350907 1087936921 /nfs/dbraw/zinc/93/69/21/1087936921.db2.gz CETPSAHSNRRLOP-MRVPVSSYSA-N -1 1 351.815 4.103 20 0 FIADMM CCOc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc(Cl)c1[O-] ZINC000186716784 1087973073 /nfs/dbraw/zinc/97/30/73/1087973073.db2.gz LCNQCKQJZBQSPS-UHFFFAOYSA-N -1 1 373.836 4.079 20 0 FIADMM CCOc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc(Cl)c1[O-] ZINC000186772727 1087983908 /nfs/dbraw/zinc/98/39/08/1087983908.db2.gz QUYKOIKDPYQCSR-UHFFFAOYSA-N -1 1 363.826 4.148 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)c2c(F)cccc2OC)cc(Cl)c1[O-] ZINC000186835719 1088004241 /nfs/dbraw/zinc/00/42/41/1088004241.db2.gz HUYHQBSCGZTHHN-SNVBAGLBSA-N -1 1 367.804 4.083 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCC[C@@H](SCC)C2)cc(Cl)c1[O-] ZINC000186850371 1088011470 /nfs/dbraw/zinc/01/14/70/1088011470.db2.gz DNZYSBARVABAGL-QWHCGFSZSA-N -1 1 357.903 4.238 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)c2cccc(F)c2F)cc(Cl)c1[O-] ZINC000186981848 1088065072 /nfs/dbraw/zinc/06/50/72/1088065072.db2.gz FPGDLQANZOZPQE-SECBINFHSA-N -1 1 355.768 4.214 20 0 FIADMM CC(C)(C)c1ncc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])s1 ZINC000424629960 1088109220 /nfs/dbraw/zinc/10/92/20/1088109220.db2.gz YKFKCPVAPDZQFJ-SFHVURJKSA-N -1 1 368.502 4.379 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](c2ccccc2)O1 ZINC000180435594 1088775532 /nfs/dbraw/zinc/77/55/32/1088775532.db2.gz GOOZADCNDCKHLI-SJCJKPOMSA-N -1 1 365.351 4.013 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](c2ccccc2)O1 ZINC000180435548 1088775609 /nfs/dbraw/zinc/77/56/09/1088775609.db2.gz GOOZADCNDCKHLI-SJKOYZFVSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181959410 1088876956 /nfs/dbraw/zinc/87/69/56/1088876956.db2.gz QSICQWAXWSVYKW-ZDUSSCGKSA-N -1 1 354.381 4.078 20 0 FIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182043696 1088892760 /nfs/dbraw/zinc/89/27/60/1088892760.db2.gz ALQPSVSBKRDZSB-OAHLLOKOSA-N -1 1 352.356 4.419 20 0 FIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182043678 1088892803 /nfs/dbraw/zinc/89/28/03/1088892803.db2.gz ALQPSVSBKRDZSB-HNNXBMFYSA-N -1 1 352.356 4.419 20 0 FIADMM CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000188147001 1088905817 /nfs/dbraw/zinc/90/58/17/1088905817.db2.gz BQDXXSPKPGIODI-GFCCVEGCSA-N -1 1 357.479 4.302 20 0 FIADMM O=C([O-])c1ccc(CN2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000414634925 1088912902 /nfs/dbraw/zinc/91/29/02/1088912902.db2.gz FCCSIWSDYLDVJK-SFHVURJKSA-N -1 1 367.342 4.474 20 0 FIADMM CC(C)COC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000236629191 1088968251 /nfs/dbraw/zinc/96/82/51/1088968251.db2.gz LQLSTNPFMICQHR-AWEZNQCLSA-N -1 1 368.817 4.050 20 0 FIADMM O=C(C[C@H]1C=CCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188995263 1089030263 /nfs/dbraw/zinc/03/02/63/1089030263.db2.gz KAOFQMBBTOIEPN-INIZCTEOSA-N -1 1 370.474 4.172 20 0 FIADMM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613665237 1089248650 /nfs/dbraw/zinc/24/86/50/1089248650.db2.gz RVOOXEQDKYXLKD-UHFFFAOYSA-N -1 1 351.337 4.228 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000032098455 1089431870 /nfs/dbraw/zinc/43/18/70/1089431870.db2.gz VCFCBCPSMSRKFZ-UHFFFAOYSA-N -1 1 363.479 4.237 20 0 FIADMM CC[C@@]1(C)CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000515068536 1089767352 /nfs/dbraw/zinc/76/73/52/1089767352.db2.gz UDGKBOIBEZSERE-HOCLYGCPSA-N -1 1 358.251 4.226 20 0 FIADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000314539977 1089949271 /nfs/dbraw/zinc/94/92/71/1089949271.db2.gz CSKPTDOLOOTHDE-LBPRGKRZSA-N -1 1 366.255 4.394 20 0 FIADMM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182159185 1090057313 /nfs/dbraw/zinc/05/73/13/1090057313.db2.gz OPTZTNUTIPCWMO-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cc(-c3ccccc3)cs2)[n-]c1=O ZINC000188022326 1090137234 /nfs/dbraw/zinc/13/72/34/1090137234.db2.gz MCLJNKMQRIIZAA-UKTHLTGXSA-N -1 1 366.442 4.236 20 0 FIADMM COCc1ccc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000417577671 1090930095 /nfs/dbraw/zinc/93/00/95/1090930095.db2.gz XHTTYQNOPYGXCC-MRXNPFEDSA-N -1 1 372.248 4.429 20 0 FIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2ncc(C(C)(C)C)s2)cc1 ZINC000417578983 1090930869 /nfs/dbraw/zinc/93/08/69/1090930869.db2.gz OPPVTWVLNZLVFJ-HNNXBMFYSA-N -1 1 362.495 4.145 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc(Cl)n1 ZINC000781919364 1091198280 /nfs/dbraw/zinc/19/82/80/1091198280.db2.gz DSEFETKBVJUEAD-UHFFFAOYSA-N -1 1 357.247 4.221 20 0 FIADMM Cc1nc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122055 1091269244 /nfs/dbraw/zinc/26/92/44/1091269244.db2.gz XJNXASAGQSSVQB-RBOXIYTFSA-N -1 1 362.857 4.407 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000500324617 1091288960 /nfs/dbraw/zinc/28/89/60/1091288960.db2.gz FUCQOHFSRUALCX-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM CC(C)Oc1ccc(-c2nc(-c3ccc([O-])c(C(N)=O)c3)cs2)cc1 ZINC000500385960 1091396769 /nfs/dbraw/zinc/39/67/69/1091396769.db2.gz BHRONGMQRWTXGR-UHFFFAOYSA-N -1 1 354.431 4.069 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000498033928 1091505282 /nfs/dbraw/zinc/50/52/82/1091505282.db2.gz XDYAQFJMCAFIHO-UHFFFAOYSA-N -1 1 356.850 4.409 20 0 FIADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000511710853 1091556093 /nfs/dbraw/zinc/55/60/93/1091556093.db2.gz ZBZSDXHLFSGGBX-NSHDSACASA-N -1 1 357.834 4.457 20 0 FIADMM CC(C)(c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)C(F)(F)F ZINC000432051323 1091567065 /nfs/dbraw/zinc/56/70/65/1091567065.db2.gz DKVLFLDVFYYWOC-UHFFFAOYSA-N -1 1 361.360 4.466 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c2ccccc12 ZINC000182258512 1091603853 /nfs/dbraw/zinc/60/38/53/1091603853.db2.gz BHANZVUDAYTRCI-UHFFFAOYSA-N -1 1 368.458 4.216 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(Cl)ccc1Br)c1cccs1 ZINC000097498566 1091965475 /nfs/dbraw/zinc/96/54/75/1091965475.db2.gz ALOVSMDVERHLBX-GFCCVEGCSA-N -1 1 374.687 4.470 20 0 FIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432639799 1092017664 /nfs/dbraw/zinc/01/76/64/1092017664.db2.gz ANUZHCXSTTZIPC-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM COC(=O)c1c[n-]c(SCC/C=C/c2ccc(Br)cc2)n1 ZINC000432664278 1092040657 /nfs/dbraw/zinc/04/06/57/1092040657.db2.gz FKWIYPJPEUBTSQ-DUXPYHPUSA-N -1 1 367.268 4.154 20 0 FIADMM CC(C)(C)c1csc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000154289145 1092401932 /nfs/dbraw/zinc/40/19/32/1092401932.db2.gz VDBABQOEBDHBOK-UHFFFAOYSA-N -1 1 358.507 4.241 20 0 FIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)ccc1C ZINC000442220426 1092512350 /nfs/dbraw/zinc/51/23/50/1092512350.db2.gz PRLPICUWMFNZSD-UHFFFAOYSA-N -1 1 366.870 4.024 20 0 FIADMM CC(C)CC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000442288232 1092549253 /nfs/dbraw/zinc/54/92/53/1092549253.db2.gz COJVOJQUYZGLKX-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM CN(C)Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1Cl ZINC000500780722 1092563104 /nfs/dbraw/zinc/56/31/04/1092563104.db2.gz POLOZQTWIKERGQ-UHFFFAOYSA-N -1 1 374.893 4.356 20 0 FIADMM Cc1cccc(C2(C(=O)NCc3n[n-]c(=S)n3C3CC3)CCCCC2)c1 ZINC000067070359 1092706447 /nfs/dbraw/zinc/70/64/47/1092706447.db2.gz NSWHXMOZCUKHFJ-UHFFFAOYSA-N -1 1 370.522 4.102 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cnccc1C(F)(F)F ZINC000442843834 1092790627 /nfs/dbraw/zinc/79/06/27/1092790627.db2.gz FCROROZZQZOXGL-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM COc1cc(C(=O)NCCc2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000442861594 1092806556 /nfs/dbraw/zinc/80/65/56/1092806556.db2.gz UMNXHKQPLMSNOW-UHFFFAOYSA-N -1 1 355.821 4.180 20 0 FIADMM COc1cc(C(=O)NCc2ccccc2C(F)(F)F)cc(Cl)c1[O-] ZINC000442874137 1092821601 /nfs/dbraw/zinc/82/16/01/1092821601.db2.gz QDNFYTRQHILMDJ-UHFFFAOYSA-N -1 1 359.731 4.003 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc(Cl)c1[O-] ZINC000442855390 1092828435 /nfs/dbraw/zinc/82/84/35/1092828435.db2.gz PQRXQXDMWKQQRJ-VIFPVBQESA-N -1 1 371.767 4.147 20 0 FIADMM COc1cccc2c1C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001143548635 1092847115 /nfs/dbraw/zinc/84/71/15/1092847115.db2.gz KFXXLESTEHWICQ-LBPRGKRZSA-N -1 1 365.351 4.163 20 0 FIADMM COc1cc(C(=O)Nc2c(F)cccc2N2CCCC2)cc(Cl)c1[O-] ZINC000442951180 1092870100 /nfs/dbraw/zinc/87/01/00/1092870100.db2.gz AKYNZVVCYSRAEI-UHFFFAOYSA-N -1 1 364.804 4.046 20 0 FIADMM COc1cc(C(=O)Nc2ccc(CCSC)cc2)cc(Cl)c1[O-] ZINC000442956676 1092872662 /nfs/dbraw/zinc/87/26/62/1092872662.db2.gz PVFCYPZWEYHPLM-UHFFFAOYSA-N -1 1 351.855 4.212 20 0 FIADMM COc1cc(C(=O)Nc2cccc(-c3nccc(C)n3)c2)cc(Cl)c1[O-] ZINC000442962578 1092889943 /nfs/dbraw/zinc/88/99/43/1092889943.db2.gz CLZYFJRCAIAEPI-UHFFFAOYSA-N -1 1 369.808 4.072 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2ccccc2SC)cc(Cl)c1[O-] ZINC000442972121 1092898530 /nfs/dbraw/zinc/89/85/30/1092898530.db2.gz WYOPNOMQFATMIP-JTQLQIEISA-N -1 1 351.855 4.267 20 0 FIADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(C2CCCCC2)cc1 ZINC000067079596 1092927667 /nfs/dbraw/zinc/92/76/67/1092927667.db2.gz ZJNCXNWGPCCMCM-UHFFFAOYSA-N -1 1 370.522 4.296 20 0 FIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(OC)cc4)nc(=O)c3s2)cc1 ZINC000614113147 1092946261 /nfs/dbraw/zinc/94/62/61/1092946261.db2.gz GXCISMUTLYUDEW-UHFFFAOYSA-N -1 1 364.426 4.336 20 0 FIADMM COc1ccc2c(c1)CCCCN2C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443118364 1092951826 /nfs/dbraw/zinc/95/18/26/1092951826.db2.gz VJCUAMMPGSRTNU-UHFFFAOYSA-N -1 1 361.825 4.046 20 0 FIADMM COc1cc(C(=O)NCc2cc(Cl)sc2Cl)cc(Cl)c1[O-] ZINC000443121322 1092953680 /nfs/dbraw/zinc/95/36/80/1092953680.db2.gz CJLIQZGOCGZMIT-UHFFFAOYSA-N -1 1 366.653 4.353 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1F ZINC000512572353 1092956921 /nfs/dbraw/zinc/95/69/21/1092956921.db2.gz KGKULRANXATYBW-UHFFFAOYSA-N -1 1 369.417 4.206 20 0 FIADMM COc1cc(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc(Cl)c1[O-] ZINC000443190181 1092982432 /nfs/dbraw/zinc/98/24/32/1092982432.db2.gz DRRLKQWOTGDDHW-UHFFFAOYSA-N -1 1 368.723 4.373 20 0 FIADMM COc1cc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc(Cl)c1[O-] ZINC000443211811 1092985610 /nfs/dbraw/zinc/98/56/10/1092985610.db2.gz ZMDUGHUJAHGYRA-GFCCVEGCSA-N -1 1 373.758 4.130 20 0 FIADMM COc1cc(C(=O)Nc2cc(C)cc(Br)c2)cc(Cl)c1[O-] ZINC000443206144 1092991768 /nfs/dbraw/zinc/99/17/68/1092991768.db2.gz VVOHKVCSWGFZPY-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc(Br)cc1[O-] ZINC000443382648 1093094177 /nfs/dbraw/zinc/09/41/77/1093094177.db2.gz LHGRTNGNFYPHMU-UHFFFAOYSA-N -1 1 373.250 4.298 20 0 FIADMM CC[C@H](C)c1ccccc1OC=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000614689191 1093099291 /nfs/dbraw/zinc/09/92/91/1093099291.db2.gz CBJYRWQUUPKEDT-AWEZNQCLSA-N -1 1 367.474 4.158 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1F ZINC000473467828 1093104663 /nfs/dbraw/zinc/10/46/63/1093104663.db2.gz BDMLBTVHUJVYNY-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000443412391 1093113209 /nfs/dbraw/zinc/11/32/09/1093113209.db2.gz IQBCMQXWFJEHOL-UHFFFAOYSA-N -1 1 358.488 4.482 20 0 FIADMM CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)cc2O1 ZINC000443556592 1093264144 /nfs/dbraw/zinc/26/41/44/1093264144.db2.gz FZSIIEHHYNRMAE-SFHVURJKSA-N -1 1 363.797 4.204 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000509623938 1093304643 /nfs/dbraw/zinc/30/46/43/1093304643.db2.gz WEHCFNWKGBBUHZ-UHFFFAOYSA-N -1 1 351.427 4.027 20 0 FIADMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000522400347 1093491983 /nfs/dbraw/zinc/49/19/83/1093491983.db2.gz URIUFOBBJMCISQ-UHFFFAOYSA-N -1 1 364.470 4.347 20 0 FIADMM O=C(c1cc(Nc2cc(F)c([O-])cc2F)ccc1F)N1CCCCC1 ZINC001211881941 1093515338 /nfs/dbraw/zinc/51/53/38/1093515338.db2.gz MDFSEQWHVORENA-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM O=C(c1cc(Nc2ccc(F)c(F)c2[O-])ccc1F)N1CCCCC1 ZINC001211881905 1093521350 /nfs/dbraw/zinc/52/13/50/1093521350.db2.gz JXZYQTDLTADEMI-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM O=S(=O)([N-]Cc1ccc(OC2CCCC2)cc1)c1sccc1Cl ZINC001211815287 1093565614 /nfs/dbraw/zinc/56/56/14/1093565614.db2.gz GOTZTKCIKBIBCR-UHFFFAOYSA-N -1 1 371.911 4.201 20 0 FIADMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2C1 ZINC000512944267 1093584580 /nfs/dbraw/zinc/58/45/80/1093584580.db2.gz AAHPJUCAWWNGDW-UHFFFAOYSA-N -1 1 364.898 4.112 20 0 FIADMM COC(=O)c1[n-]c(=N[C@H](C)c2ccc(-c3csc(C)n3)cc2)sc1C ZINC000433601979 1094010935 /nfs/dbraw/zinc/01/09/35/1094010935.db2.gz BFAPQPUFAMFDLE-SNVBAGLBSA-N -1 1 373.503 4.265 20 0 FIADMM Cc1cc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)ccc1F ZINC000433648694 1094040522 /nfs/dbraw/zinc/04/05/22/1094040522.db2.gz KFTRLEAUENOUBT-CQSZACIVSA-N -1 1 352.413 4.482 20 0 FIADMM COC(=O)c1[n-]c(=N[C@H]2CCc3c2ccc(Cl)c3Cl)sc1C ZINC000434102898 1094377525 /nfs/dbraw/zinc/37/75/25/1094377525.db2.gz VMFPNZMARATYQW-NSHDSACASA-N -1 1 357.262 4.066 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000501630672 1094827659 /nfs/dbraw/zinc/82/76/59/1094827659.db2.gz SRLGETIVXQRODH-UHFFFAOYSA-N -1 1 373.501 4.016 20 0 FIADMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccoc1Cl ZINC000192255943 1095042721 /nfs/dbraw/zinc/04/27/21/1095042721.db2.gz ZDYUTGQBYDQTKZ-UHFFFAOYSA-N -1 1 351.840 4.329 20 0 FIADMM CC(C)[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000522830621 1095749428 /nfs/dbraw/zinc/74/94/28/1095749428.db2.gz JPRBEOMPSTVSDT-AWEZNQCLSA-N -1 1 356.369 4.201 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421958448 1096014890 /nfs/dbraw/zinc/01/48/90/1096014890.db2.gz JIUHOGQZUPPJDY-JTQLQIEISA-N -1 1 372.774 4.398 20 0 FIADMM Cc1csc2nc(-c3csc(I)c3)[n-]c(=O)c12 ZINC000504508212 1096793056 /nfs/dbraw/zinc/79/30/56/1096793056.db2.gz SMZIDENVDZSKRV-UHFFFAOYSA-N -1 1 374.228 4.038 20 0 FIADMM Cn1ncc2c1ncnc2[N-]c1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000533106910 1098774385 /nfs/dbraw/zinc/77/43/85/1098774385.db2.gz FVPYLHYOLJTBJV-UHFFFAOYSA-N -1 1 364.390 4.083 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000515652801 1098791341 /nfs/dbraw/zinc/79/13/41/1098791341.db2.gz WDTUETNXSCFHDD-HNNXBMFYSA-N -1 1 374.506 4.139 20 0 FIADMM Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000515737932 1098880311 /nfs/dbraw/zinc/88/03/11/1098880311.db2.gz YJKAOYVZTXWVHL-UHFFFAOYSA-N -1 1 368.669 4.069 20 0 FIADMM COc1ccc(Cl)cc1C(C)(C)NCc1nc(=O)c2sccc2[n-]1 ZINC000425507217 1098900062 /nfs/dbraw/zinc/90/00/62/1098900062.db2.gz DZGOMRAUNLNYMO-UHFFFAOYSA-N -1 1 363.870 4.084 20 0 FIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c2C)o1 ZINC000533229111 1098902111 /nfs/dbraw/zinc/90/21/11/1098902111.db2.gz WOWPHFKKTJTSCO-UHFFFAOYSA-N -1 1 359.451 4.211 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3noc4c3CCCCC4)n2)s1 ZINC000436350161 1098954176 /nfs/dbraw/zinc/95/41/76/1098954176.db2.gz UCIPIGNHUVKPLB-UHFFFAOYSA-N -1 1 360.464 4.084 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000436482712 1099043196 /nfs/dbraw/zinc/04/31/96/1099043196.db2.gz AVXBHGQQQLHJHA-UHFFFAOYSA-N -1 1 371.440 4.442 20 0 FIADMM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc([O-])cc1F ZINC000436486641 1099062153 /nfs/dbraw/zinc/06/21/53/1099062153.db2.gz JADVPMWVXKTRBK-UHFFFAOYSA-N -1 1 363.694 4.378 20 0 FIADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436486032 1099063396 /nfs/dbraw/zinc/06/33/96/1099063396.db2.gz ITDPFNALFQHPFL-KNQAVFIVSA-N -1 1 361.441 4.443 20 0 FIADMM COc1ccc(-c2nc(C3(c4ccccc4F)CCCC3)no2)c([O-])c1 ZINC000436523444 1099080561 /nfs/dbraw/zinc/08/05/61/1099080561.db2.gz SPKQSHUMKBTIRX-UHFFFAOYSA-N -1 1 354.381 4.450 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2cc(Br)ccc2F)no1 ZINC000436532515 1099087800 /nfs/dbraw/zinc/08/78/00/1099087800.db2.gz KBZIMYAHHPBTPR-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436547523 1099094782 /nfs/dbraw/zinc/09/47/82/1099094782.db2.gz QVLNYACCMKKNHW-LDYMZIIASA-N -1 1 355.278 4.214 20 0 FIADMM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436540242 1099106066 /nfs/dbraw/zinc/10/60/66/1099106066.db2.gz RDHBYKDISFFUNB-LJQANCHMSA-N -1 1 361.441 4.401 20 0 FIADMM Cc1nc(-c2ccc(C)c(NC(=O)c3cc4ccccc4cc3[O-])c2)n[nH]1 ZINC000436575484 1099111454 /nfs/dbraw/zinc/11/14/54/1099111454.db2.gz NGPXYLKIGPSKGI-UHFFFAOYSA-N -1 1 358.401 4.200 20 0 FIADMM COCCSc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436561656 1099115589 /nfs/dbraw/zinc/11/55/89/1099115589.db2.gz ILLPCQCGUOHCRI-GFCCVEGCSA-N -1 1 365.882 4.275 20 0 FIADMM Cc1csc2[nH]c(C=Cc3ccc([O-])c(Br)c3)nc(=O)c12 ZINC000436563558 1099117316 /nfs/dbraw/zinc/11/73/16/1099117316.db2.gz HRTNKOKIPCYUHM-HYXAFXHYSA-N -1 1 363.236 4.344 20 0 FIADMM CC(C)c1c(NC(=O)c2ccc(O)cc2[O-])cnn1-c1ccccc1Cl ZINC000436594756 1099125154 /nfs/dbraw/zinc/12/51/54/1099125154.db2.gz JUVMVMADISBXTQ-UHFFFAOYSA-N -1 1 371.824 4.313 20 0 FIADMM COc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000436593100 1099125474 /nfs/dbraw/zinc/12/54/74/1099125474.db2.gz AANYVVNAONTXGZ-NRFANRHFSA-N -1 1 365.404 4.254 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000436599730 1099128424 /nfs/dbraw/zinc/12/84/24/1099128424.db2.gz YUTVCDRDQSVWAR-UHFFFAOYSA-N -1 1 365.326 4.480 20 0 FIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436581450 1099130408 /nfs/dbraw/zinc/13/04/08/1099130408.db2.gz FFTOAPDDWFWHBX-SFHVURJKSA-N -1 1 359.425 4.423 20 0 FIADMM Cc1ccccc1[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)CO1 ZINC000436581850 1099130748 /nfs/dbraw/zinc/13/07/48/1099130748.db2.gz GFCDEVJODVCZDB-KSFYIVLOSA-N -1 1 361.441 4.456 20 0 FIADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436583642 1099132511 /nfs/dbraw/zinc/13/25/11/1099132511.db2.gz DXLAZTZBFNBRMA-IUODEOHRSA-N -1 1 360.251 4.173 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N(Cc1csc(Br)c1)C1CC1 ZINC000436610462 1099144308 /nfs/dbraw/zinc/14/43/08/1099144308.db2.gz YCZLGOHSJJPAHU-UHFFFAOYSA-N -1 1 370.243 4.160 20 0 FIADMM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436632881 1099162248 /nfs/dbraw/zinc/16/22/48/1099162248.db2.gz DYTBHJDDSCDSOZ-UHFFFAOYSA-N -1 1 357.837 4.223 20 0 FIADMM O=C(NC1(c2c(Cl)cccc2Cl)CCC1)C(=O)c1ccc([O-])cc1 ZINC000436634753 1099163754 /nfs/dbraw/zinc/16/37/54/1099163754.db2.gz LEVRLWDVEKPJKU-UHFFFAOYSA-N -1 1 364.228 4.077 20 0 FIADMM CCc1nc2ccc(Cl)cn2c1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436654108 1099175900 /nfs/dbraw/zinc/17/59/00/1099175900.db2.gz DMXPQAIQUFSMCS-UHFFFAOYSA-N -1 1 358.760 4.112 20 0 FIADMM C[C@@H](Nc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1)c1ccccc1 ZINC000436667818 1099196993 /nfs/dbraw/zinc/19/69/93/1099196993.db2.gz VXQULDQTVXTOFU-OAHLLOKOSA-N -1 1 360.413 4.387 20 0 FIADMM COc1ccccc1Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436669591 1099201270 /nfs/dbraw/zinc/20/12/70/1099201270.db2.gz AQJSPRYJJRTEGD-UHFFFAOYSA-N -1 1 351.358 4.151 20 0 FIADMM CC1=C(c2ccco2)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436678581 1099212987 /nfs/dbraw/zinc/21/29/87/1099212987.db2.gz CSGTYWKSUHAWRM-UHFFFAOYSA-N -1 1 351.324 4.324 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000436685142 1099217507 /nfs/dbraw/zinc/21/75/07/1099217507.db2.gz AMBDSDZUGFMTEP-IBGZPJMESA-N -1 1 367.832 4.413 20 0 FIADMM Cc1cnc(-c2cccc(NC(=O)c3cc(Br)ccc3[O-])c2)o1 ZINC000436698551 1099231912 /nfs/dbraw/zinc/23/19/12/1099231912.db2.gz QBYGHJNFYGGLQL-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000436716463 1099248645 /nfs/dbraw/zinc/24/86/45/1099248645.db2.gz BFUCXVSIQROSIL-MRXNPFEDSA-N -1 1 363.816 4.006 20 0 FIADMM CC(=O)N(c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1)C1CC1 ZINC000436734383 1099256265 /nfs/dbraw/zinc/25/62/65/1099256265.db2.gz CYGDVWHLIYVYCB-UHFFFAOYSA-N -1 1 360.413 4.313 20 0 FIADMM COCCCOc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763103 1099277193 /nfs/dbraw/zinc/27/71/93/1099277193.db2.gz IWDKKPOQKRJFCS-UHFFFAOYSA-N -1 1 369.339 4.079 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000436752761 1099288463 /nfs/dbraw/zinc/28/84/63/1099288463.db2.gz BVFVRAIBKSSILU-UHFFFAOYSA-N -1 1 369.424 4.351 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCc2sccc2[C@H]1c1cccs1 ZINC000436754541 1099290263 /nfs/dbraw/zinc/29/02/63/1099290263.db2.gz ZIDADQSAJZTRKN-KRWDZBQOSA-N -1 1 359.447 4.442 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1cccc(F)c1)C1CC1 ZINC000436756792 1099291308 /nfs/dbraw/zinc/29/13/08/1099291308.db2.gz FIYZFZGBDANFMC-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000436766075 1099306997 /nfs/dbraw/zinc/30/69/97/1099306997.db2.gz ZQDVYIYIUODPOT-UHFFFAOYSA-N -1 1 365.351 4.136 20 0 FIADMM O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccc([O-])cc1F ZINC000436818494 1099330035 /nfs/dbraw/zinc/33/00/35/1099330035.db2.gz VIQQZNMMVBFOLI-UHFFFAOYSA-N -1 1 360.291 4.249 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000436818530 1099330550 /nfs/dbraw/zinc/33/05/50/1099330550.db2.gz VQEXSJIMHPPBEB-IBGZPJMESA-N -1 1 367.832 4.413 20 0 FIADMM O=C(Nc1cccc(COCCc2ccccc2)c1)c1ccc(O)cc1[O-] ZINC000436818069 1099330679 /nfs/dbraw/zinc/33/06/79/1099330679.db2.gz ZUPZYDCFWZLXET-UHFFFAOYSA-N -1 1 363.413 4.109 20 0 FIADMM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3[O-])c12 ZINC000436811813 1099337662 /nfs/dbraw/zinc/33/76/62/1099337662.db2.gz KHMQTWMLPFLOPR-UHFFFAOYSA-N -1 1 363.348 4.295 20 0 FIADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436831950 1099342540 /nfs/dbraw/zinc/34/25/40/1099342540.db2.gz HZGNDIYTRVTJFC-SNVBAGLBSA-N -1 1 352.217 4.101 20 0 FIADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)c1 ZINC000436831015 1099342802 /nfs/dbraw/zinc/34/28/02/1099342802.db2.gz FCMJSHTXPDPCLH-CQSZACIVSA-N -1 1 360.251 4.093 20 0 FIADMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([O-])c(Cl)c1 ZINC000436846776 1099365973 /nfs/dbraw/zinc/36/59/73/1099365973.db2.gz NVKBRYUGDSFFMO-UHFFFAOYSA-N -1 1 353.765 4.434 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000436850950 1099366694 /nfs/dbraw/zinc/36/66/94/1099366694.db2.gz JROLGAWVNCEKJF-AWEZNQCLSA-N -1 1 360.251 4.175 20 0 FIADMM Cc1cccc([C@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)c1 ZINC000436850441 1099368320 /nfs/dbraw/zinc/36/83/20/1099368320.db2.gz HZBQFVXUOAMGHF-AWEZNQCLSA-N -1 1 360.251 4.093 20 0 FIADMM CC(C)Oc1ccc(CNC(=O)c2ccc([O-])cc2F)c(C(F)(F)F)c1 ZINC000436868217 1099377703 /nfs/dbraw/zinc/37/77/03/1099377703.db2.gz HBVJZHYRWGEJNH-UHFFFAOYSA-N -1 1 371.330 4.267 20 0 FIADMM COc1cc(-c2noc([C@@H]3C[C@@]3(C)C(C)C)n2)cc(Br)c1[O-] ZINC000436874435 1099387519 /nfs/dbraw/zinc/38/75/19/1099387519.db2.gz QJQHOIGNNZVVHN-QFYYESIMSA-N -1 1 367.243 4.363 20 0 FIADMM Cc1cn(-c2c(F)cccc2F)nc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436874841 1099388719 /nfs/dbraw/zinc/38/87/19/1099388719.db2.gz SBKIOAWVFIYDRE-UHFFFAOYSA-N -1 1 372.306 4.021 20 0 FIADMM CC[C@H](C)CCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436877278 1099390122 /nfs/dbraw/zinc/39/01/22/1099390122.db2.gz FQSPIAMEFKXMEO-VIFPVBQESA-N -1 1 355.232 4.192 20 0 FIADMM CC[C@@H](C)c1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])on1 ZINC000436894704 1099392392 /nfs/dbraw/zinc/39/23/92/1099392392.db2.gz RQFJUVARQPCJGJ-SECBINFHSA-N -1 1 353.216 4.217 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cn4cc(Cl)cc(Cl)c4n3)n2)cc1F ZINC000436880859 1099397297 /nfs/dbraw/zinc/39/72/97/1099397297.db2.gz TXPFXHJBVCNSNC-UHFFFAOYSA-N -1 1 365.151 4.203 20 0 FIADMM COc1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cn1 ZINC000436890196 1099407151 /nfs/dbraw/zinc/40/71/51/1099407151.db2.gz DWYNQDWLEISMOY-UHFFFAOYSA-N -1 1 361.357 4.305 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCc2c(Cl)cccc2C1 ZINC000436890450 1099409088 /nfs/dbraw/zinc/40/90/88/1099409088.db2.gz UDZAEHKAYTZSML-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM [O-]c1c(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)ccc2ccccc21 ZINC000436890800 1099409137 /nfs/dbraw/zinc/40/91/37/1099409137.db2.gz CTGRLFPMZDDQNG-UHFFFAOYSA-N -1 1 368.396 4.372 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2c(Br)cccc2C1 ZINC000436903863 1099412919 /nfs/dbraw/zinc/41/29/19/1099412919.db2.gz JKMGFMOVBXTTFI-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1csc2c1CCCC2 ZINC000436912711 1099419450 /nfs/dbraw/zinc/41/94/50/1099419450.db2.gz HUXAIDPCEMGECP-UHFFFAOYSA-N -1 1 374.853 4.023 20 0 FIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1csc2c1CCCC2 ZINC000436912711 1099419459 /nfs/dbraw/zinc/41/94/59/1099419459.db2.gz HUXAIDPCEMGECP-UHFFFAOYSA-N -1 1 374.853 4.023 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)cc1 ZINC000614881162 1099422244 /nfs/dbraw/zinc/42/22/44/1099422244.db2.gz SBAYHWWPYIWYOT-NSHDSACASA-N -1 1 355.406 4.288 20 0 FIADMM CC[C@@H](C)n1nc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1C ZINC000436896518 1099423082 /nfs/dbraw/zinc/42/30/82/1099423082.db2.gz ZCNVKWZZYHVVCN-SNVBAGLBSA-N -1 1 366.259 4.191 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]1/C=C\c1ccccc1 ZINC000436899352 1099424951 /nfs/dbraw/zinc/42/49/51/1099424951.db2.gz CPBUICRCMSPDJK-YHWKNFMLSA-N -1 1 372.262 4.473 20 0 FIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc2ccccc2s1 ZINC000436916326 1099430885 /nfs/dbraw/zinc/43/08/85/1099430885.db2.gz SNKGUEJFNGYSIL-UHFFFAOYSA-N -1 1 370.821 4.298 20 0 FIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc2ccccc2s1 ZINC000436916326 1099430890 /nfs/dbraw/zinc/43/08/90/1099430890.db2.gz SNKGUEJFNGYSIL-UHFFFAOYSA-N -1 1 370.821 4.298 20 0 FIADMM CN(C)c1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cn1 ZINC000436914543 1099430996 /nfs/dbraw/zinc/43/09/96/1099430996.db2.gz JWHFYNVFOGOANT-UHFFFAOYSA-N -1 1 374.400 4.363 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1C ZINC000032589075 1099447042 /nfs/dbraw/zinc/44/70/42/1099447042.db2.gz XPNBXPHWCCQYJW-UHFFFAOYSA-N -1 1 374.487 4.236 20 0 FIADMM O=C(NCc1ccccc1COCc1ccccc1)c1c([O-])cccc1F ZINC000436953169 1099469717 /nfs/dbraw/zinc/46/97/17/1099469717.db2.gz MOMNWZZTOQNUSW-UHFFFAOYSA-N -1 1 365.404 4.178 20 0 FIADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1Oc1ccccc1 ZINC000436959521 1099475794 /nfs/dbraw/zinc/47/57/94/1099475794.db2.gz AGHGVYJLJUPAED-HNNXBMFYSA-N -1 1 361.397 4.245 20 0 FIADMM COC[C@H](C)n1c2ccccc2nc1-c1ccc([O-])c(Br)c1 ZINC000436981147 1099486785 /nfs/dbraw/zinc/48/67/85/1099486785.db2.gz PVXVLHCBLGHZHB-NSHDSACASA-N -1 1 361.239 4.379 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000029997806 1099502716 /nfs/dbraw/zinc/50/27/16/1099502716.db2.gz FZMWVTBCHHTUFB-NVXWUHKLSA-N -1 1 372.538 4.343 20 0 FIADMM C[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1(C)C ZINC000516481599 1099527504 /nfs/dbraw/zinc/52/75/04/1099527504.db2.gz HFNRFQIMUUCZTO-IINYFYTJSA-N -1 1 358.251 4.082 20 0 FIADMM C[C@@H](CC(C)(C)C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000475997955 1099594264 /nfs/dbraw/zinc/59/42/64/1099594264.db2.gz LTNLUPZWEOEWPJ-HNNXBMFYSA-N -1 1 374.506 4.498 20 0 FIADMM CCOc1cc(-c2noc(CC3CCSCC3)n2)cc(Cl)c1[O-] ZINC000516619378 1099659951 /nfs/dbraw/zinc/65/99/51/1099659951.db2.gz ZVHBJHBQZGWIMA-UHFFFAOYSA-N -1 1 354.859 4.180 20 0 FIADMM Cc1cnc(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)c([O-])c1 ZINC000428646595 1099949786 /nfs/dbraw/zinc/94/97/86/1099949786.db2.gz WZCGVTUQNMBIJR-UHFFFAOYSA-N -1 1 365.260 4.422 20 0 FIADMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000517241966 1100214892 /nfs/dbraw/zinc/21/48/92/1100214892.db2.gz YKVPHIJBMVUWKO-PSGMQZRDSA-N -1 1 363.885 4.208 20 0 FIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1 ZINC000517924737 1100797425 /nfs/dbraw/zinc/79/74/25/1100797425.db2.gz HPDSOUBGOKQPFG-UHFFFAOYSA-N -1 1 373.478 4.241 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc(C)c1F ZINC000438717762 1100870579 /nfs/dbraw/zinc/87/05/79/1100870579.db2.gz OJJVOYBJHUZVLD-UHFFFAOYSA-N -1 1 372.421 4.431 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1 ZINC000438755347 1100898012 /nfs/dbraw/zinc/89/80/12/1100898012.db2.gz FTYKHYVGOGBGMP-UHFFFAOYSA-N -1 1 373.478 4.207 20 0 FIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000509567781 1100966491 /nfs/dbraw/zinc/96/64/91/1100966491.db2.gz KLRFPVIFSWEVDY-UHFFFAOYSA-N -1 1 373.455 4.003 20 0 FIADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000439044909 1101104278 /nfs/dbraw/zinc/10/42/78/1101104278.db2.gz VREVPPDZSXUULW-UHFFFAOYSA-N -1 1 359.472 4.436 20 0 FIADMM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([O-])c(F)c1 ZINC000666044931 1101326846 /nfs/dbraw/zinc/32/68/46/1101326846.db2.gz YXWVMXXSABCUQD-CQSZACIVSA-N -1 1 372.440 4.028 20 0 FIADMM CC1(C)CCC(C)(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC001142304943 1101347203 /nfs/dbraw/zinc/34/72/03/1101347203.db2.gz BOPLKXQFBLDCKT-UHFFFAOYSA-N -1 1 354.288 4.491 20 0 FIADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)[nH]n1 ZINC000780395459 1101569342 /nfs/dbraw/zinc/56/93/42/1101569342.db2.gz IMPZZOYWIYVTCK-UHFFFAOYSA-N -1 1 363.389 4.124 20 0 FIADMM COCCCOc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439579069 1101582097 /nfs/dbraw/zinc/58/20/97/1101582097.db2.gz YLKBQJGDAUEKNO-UHFFFAOYSA-N -1 1 371.458 4.056 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)c(Cl)nc2Cl)c(F)c1 ZINC000760189120 1101602331 /nfs/dbraw/zinc/60/23/31/1101602331.db2.gz LMXLUFGYQCTWGP-UHFFFAOYSA-N -1 1 363.122 4.261 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2C)cn1 ZINC000506661090 1101711811 /nfs/dbraw/zinc/71/18/11/1101711811.db2.gz FYQGYDREQPTJQC-UHFFFAOYSA-N -1 1 368.458 4.078 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000519041555 1101872404 /nfs/dbraw/zinc/87/24/04/1101872404.db2.gz XNXZJXPBWNUTKE-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263117502 1101897016 /nfs/dbraw/zinc/89/70/16/1101897016.db2.gz LRMZTBMLBAGAMC-STQMWFEESA-N -1 1 363.845 4.028 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)[nH]nc1C1CC1 ZINC000760320528 1101908745 /nfs/dbraw/zinc/90/87/45/1101908745.db2.gz BQQLPLUAQSVIIN-UHFFFAOYSA-N -1 1 361.854 4.203 20 0 FIADMM O=C([O-])CC[C@H]1CCCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000263174875 1101986949 /nfs/dbraw/zinc/98/69/49/1101986949.db2.gz SNQSSLMQDPINIQ-QGZVFWFLSA-N -1 1 358.507 4.005 20 0 FIADMM Cc1cc(CCCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)s1 ZINC000440061713 1102003758 /nfs/dbraw/zinc/00/37/58/1102003758.db2.gz MDDUVMPYPRLTSY-UHFFFAOYSA-N -1 1 355.463 4.422 20 0 FIADMM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1cccc([O-])c1F ZINC001625990362 1102011719 /nfs/dbraw/zinc/01/17/19/1102011719.db2.gz WFPIEYRLHIZTRT-UHFFFAOYSA-N -1 1 363.388 4.063 20 0 FIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2O1 ZINC000327969210 1102033627 /nfs/dbraw/zinc/03/36/27/1102033627.db2.gz GELFSDDIOIPEJL-UHFFFAOYSA-N -1 1 355.415 4.148 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475834500 1102133440 /nfs/dbraw/zinc/13/34/40/1102133440.db2.gz PJNOUVUVTQMWKG-UHFFFAOYSA-N -1 1 366.442 4.060 20 0 FIADMM COc1cc(CN(C)C(=O)c2cc(Cl)ccc2[O-])ccc1SC ZINC000058771843 1102267356 /nfs/dbraw/zinc/26/73/56/1102267356.db2.gz FXZOVQALVLPFDY-UHFFFAOYSA-N -1 1 351.855 4.048 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]C2(C(C)(C)c3ccccc3)CC2)c(F)c1 ZINC001211849018 1102292306 /nfs/dbraw/zinc/29/23/06/1102292306.db2.gz JCXNZWLICDVNBS-UHFFFAOYSA-N -1 1 365.445 4.062 20 0 FIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])cc1OC ZINC000121305090 1102368883 /nfs/dbraw/zinc/36/88/83/1102368883.db2.gz JZYUXOYQELHPLL-OAHLLOKOSA-N -1 1 361.825 4.040 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000121348573 1102385813 /nfs/dbraw/zinc/38/58/13/1102385813.db2.gz LCOUJEHARDWUQY-UHFFFAOYSA-N -1 1 358.397 4.376 20 0 FIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccccc2)ccc1Cl ZINC000110657367 1102385966 /nfs/dbraw/zinc/38/59/66/1102385966.db2.gz SCKKITFOHPRLON-UHFFFAOYSA-N -1 1 366.730 4.396 20 0 FIADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897438070 1102430325 /nfs/dbraw/zinc/43/03/25/1102430325.db2.gz VZILODDBCVYLBF-MEBBXXQBSA-N -1 1 353.340 4.054 20 0 FIADMM Cc1c(=O)[n-]c(SCC(=O)[C@H]2Cc3ccccc32)nc1-c1ccccc1 ZINC000475862162 1102523816 /nfs/dbraw/zinc/52/38/16/1102523816.db2.gz AJWXWVYBXMMGRA-KRWDZBQOSA-N -1 1 362.454 4.159 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2ccccc12 ZINC000476605896 1102546253 /nfs/dbraw/zinc/54/62/53/1102546253.db2.gz ZXRPJNIOKMYHRE-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000122665259 1102610100 /nfs/dbraw/zinc/61/01/00/1102610100.db2.gz LASPEDFEIKNMAW-UHFFFAOYSA-N -1 1 370.833 4.019 20 0 FIADMM O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc([O-])c(Cl)c1 ZINC000111666181 1102696768 /nfs/dbraw/zinc/69/67/68/1102696768.db2.gz IVCMQIDBUYMCFC-UHFFFAOYSA-N -1 1 363.826 4.119 20 0 FIADMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000101850783 1102739581 /nfs/dbraw/zinc/73/95/81/1102739581.db2.gz QTNPRDORZVWPGE-UHFFFAOYSA-N -1 1 360.385 4.136 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000614829599 1102741326 /nfs/dbraw/zinc/74/13/26/1102741326.db2.gz TYCKQGDDKAPCCQ-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccc(Cl)cc1Br)c1ccsc1 ZINC000426670960 1102782531 /nfs/dbraw/zinc/78/25/31/1102782531.db2.gz JKUYBNSXYWDNDU-CYBMUJFWSA-N -1 1 374.687 4.470 20 0 FIADMM CCc1c(Cl)cc(Nc2cnc(N3CCCC3)nc2)c([O-])c1Cl ZINC001211936280 1102827940 /nfs/dbraw/zinc/82/79/40/1102827940.db2.gz JIEISCHPVLVQQD-UHFFFAOYSA-N -1 1 353.253 4.395 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(F)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000551055603 1102870624 /nfs/dbraw/zinc/87/06/24/1102870624.db2.gz PMGYSPDRTJWYIK-OAHLLOKOSA-N -1 1 359.294 4.289 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000551100997 1102901381 /nfs/dbraw/zinc/90/13/81/1102901381.db2.gz MRXSQHIYJJYCAZ-VIFPVBQESA-N -1 1 350.394 4.343 20 0 FIADMM O=S(=O)([N-]c1ccccc1Br)c1cc(Cl)ccc1F ZINC000551107652 1102916857 /nfs/dbraw/zinc/91/68/57/1102916857.db2.gz XASQJJAJQBNSHU-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)ccc2o1 ZINC000551115218 1102921967 /nfs/dbraw/zinc/92/19/67/1102921967.db2.gz IMBLOXRRFOMSPS-UHFFFAOYSA-N -1 1 374.462 4.362 20 0 FIADMM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc([O-])cc1 ZINC000133153835 1102931110 /nfs/dbraw/zinc/93/11/10/1102931110.db2.gz WBKBGUFVJZISIY-LLVKDONJSA-N -1 1 363.822 4.236 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1cc(Br)c(Cl)s1 ZINC000426691418 1102935045 /nfs/dbraw/zinc/93/50/45/1102935045.db2.gz HTGNHAYHZMJQPT-UHFFFAOYSA-N -1 1 374.687 4.081 20 0 FIADMM COCC1(CC[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCC1 ZINC001211950982 1102938521 /nfs/dbraw/zinc/93/85/21/1102938521.db2.gz SIGLPICFUYJRHM-UHFFFAOYSA-N -1 1 373.927 4.040 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000476944395 1102959656 /nfs/dbraw/zinc/95/96/56/1102959656.db2.gz XKEYOIDYFLERKC-UHFFFAOYSA-N -1 1 355.463 4.175 20 0 FIADMM COc1cc(C)nc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000426753585 1102969151 /nfs/dbraw/zinc/96/91/51/1102969151.db2.gz JJHKXUOSSORLBQ-MRXNPFEDSA-N -1 1 369.248 4.011 20 0 FIADMM Cc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Br)c1 ZINC000426753579 1102969450 /nfs/dbraw/zinc/96/94/50/1102969450.db2.gz JHTYFXQBUFMEHD-SUMWQHHRSA-N -1 1 362.267 4.309 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)ccc1Br)c1ccccc1 ZINC000426757203 1102971078 /nfs/dbraw/zinc/97/10/78/1102971078.db2.gz CDXDRWBNHAEUJM-BZNIZROVSA-N -1 1 366.230 4.140 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000426758345 1102973262 /nfs/dbraw/zinc/97/32/62/1102973262.db2.gz RYMQAXOMDFETQE-KSSFIOAISA-N -1 1 352.459 4.362 20 0 FIADMM COc1cccc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000426769743 1102976430 /nfs/dbraw/zinc/97/64/30/1102976430.db2.gz LOZJLKYZZLMKKZ-HNNXBMFYSA-N -1 1 369.248 4.093 20 0 FIADMM CCOc1ccc(OC)cc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000729665980 1102987888 /nfs/dbraw/zinc/98/78/88/1102987888.db2.gz OYSWYNXIAVKVIC-KHPPLWFESA-N -1 1 367.854 4.160 20 0 FIADMM CC1(C)Cc2cccc(CN[C@@H](CC(=O)[O-])c3cccc(Cl)c3)c2O1 ZINC000426796372 1102996202 /nfs/dbraw/zinc/99/62/02/1102996202.db2.gz BTQGFRSMAMFDMV-KRWDZBQOSA-N -1 1 359.853 4.359 20 0 FIADMM CCCCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000426810290 1103007282 /nfs/dbraw/zinc/00/72/82/1103007282.db2.gz YONXVAISHSUBFD-IBGZPJMESA-N -1 1 363.404 4.449 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(CC(C)C)cc2)c1OC ZINC000426824328 1103020572 /nfs/dbraw/zinc/02/05/72/1103020572.db2.gz HNEPCEWHRNWJAQ-IBGZPJMESA-N -1 1 371.477 4.208 20 0 FIADMM COc1ccc([C@@H](NCc2cccc(Cl)c2Cl)C(=O)[O-])cc1F ZINC000426826607 1103024615 /nfs/dbraw/zinc/02/46/15/1103024615.db2.gz TYFFMFSJNKSUOB-OAHLLOKOSA-N -1 1 358.196 4.057 20 0 FIADMM COc1ccc([C@H](NCc2ccc(Cl)cc2Cl)C(=O)[O-])cc1F ZINC000426827408 1103027572 /nfs/dbraw/zinc/02/75/72/1103027572.db2.gz IHQXJYOARXLZDE-HNNXBMFYSA-N -1 1 358.196 4.057 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC001211973775 1103124883 /nfs/dbraw/zinc/12/48/83/1103124883.db2.gz OHGXCWOFKISTGC-HZPDHXFCSA-N -1 1 365.445 4.135 20 0 FIADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000427111632 1103269017 /nfs/dbraw/zinc/26/90/17/1103269017.db2.gz UARSQIKYXCHJPU-UHFFFAOYSA-N -1 1 361.470 4.009 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000507334807 1103294490 /nfs/dbraw/zinc/29/44/90/1103294490.db2.gz XVWYTWZOBKLDJZ-UHFFFAOYSA-N -1 1 350.321 4.185 20 0 FIADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427296598 1103419469 /nfs/dbraw/zinc/41/94/69/1103419469.db2.gz VFRGBWJLWZQENW-UHFFFAOYSA-N -1 1 364.517 4.269 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c(C)c1 ZINC000515699262 1103440998 /nfs/dbraw/zinc/44/09/98/1103440998.db2.gz JSPSFLDPFLDKKY-UHFFFAOYSA-N -1 1 374.437 4.272 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)ccc1Br ZINC000005126831 1103725284 /nfs/dbraw/zinc/72/52/84/1103725284.db2.gz UHBPHIDVVRWGJK-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM COc1ccc(-c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)n[nH]2)cc1 ZINC000445452083 1103884209 /nfs/dbraw/zinc/88/42/09/1103884209.db2.gz OGMIQACQMFXHQD-UHFFFAOYSA-N -1 1 368.780 4.161 20 0 FIADMM CC[C@H](C)n1ncc2c1nc(C)cc2-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454055 1103898299 /nfs/dbraw/zinc/89/82/99/1103898299.db2.gz DWZPEOVYRYLBSF-NSHDSACASA-N -1 1 367.384 4.272 20 0 FIADMM COc1ccc(-c2nc(-c3nc(-c4ccc([O-])cc4F)no3)cs2)cc1 ZINC000445457287 1103930964 /nfs/dbraw/zinc/93/09/64/1103930964.db2.gz MNDKCIORHQACJT-UHFFFAOYSA-N -1 1 369.377 4.380 20 0 FIADMM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1ccc([O-])c(Cl)c1 ZINC000520060468 1104056561 /nfs/dbraw/zinc/05/65/61/1104056561.db2.gz SHNBIMKNDYAEPW-IBGZPJMESA-N -1 1 368.820 4.430 20 0 FIADMM CCC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000520131597 1104097053 /nfs/dbraw/zinc/09/70/53/1104097053.db2.gz HRMPFDGVJLTGJS-KRWDZBQOSA-N -1 1 374.506 4.104 20 0 FIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000538298423 1104119616 /nfs/dbraw/zinc/11/96/16/1104119616.db2.gz IRGDQNYONDUEMK-UHFFFAOYSA-N -1 1 363.504 4.356 20 0 FIADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC[C@H]1C(F)(F)F ZINC000190749229 1105135402 /nfs/dbraw/zinc/13/54/02/1105135402.db2.gz SFYUBRWHEYJDPS-GFCCVEGCSA-N -1 1 369.305 4.462 20 0 FIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507910201 1105263467 /nfs/dbraw/zinc/26/34/67/1105263467.db2.gz VTWUVBSFPVGTOU-UHFFFAOYSA-N -1 1 357.406 4.302 20 0 FIADMM CN1Cc2cccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)c2C1 ZINC000427775682 1105279236 /nfs/dbraw/zinc/27/92/36/1105279236.db2.gz VDSMLMUAAMOZIZ-UHFFFAOYSA-N -1 1 364.470 4.100 20 0 FIADMM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000427783830 1105280709 /nfs/dbraw/zinc/28/07/09/1105280709.db2.gz ZXEOZZNUKVWHIC-IIBYNOLFSA-N -1 1 358.441 4.006 20 0 FIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1 ZINC000427785046 1105281521 /nfs/dbraw/zinc/28/15/21/1105281521.db2.gz PWCBNFFNNGCGMT-UHFFFAOYSA-N -1 1 374.506 4.002 20 0 FIADMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]C1(C(F)F)CCCCC1 ZINC000508068602 1105312950 /nfs/dbraw/zinc/31/29/50/1105312950.db2.gz NOTNWXPPOXNKSU-UHFFFAOYSA-N -1 1 371.371 4.093 20 0 FIADMM CCc1cc(CC)c(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c(CC)c1 ZINC000450986936 1106857572 /nfs/dbraw/zinc/85/75/72/1106857572.db2.gz SVUPAONLVHOZIQ-UHFFFAOYSA-N -1 1 371.453 4.144 20 0 FIADMM Cc1cc(Br)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC000530161549 1106892125 /nfs/dbraw/zinc/89/21/25/1106892125.db2.gz CEINLRQFKLMLIT-LBPRGKRZSA-N -1 1 372.690 4.098 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c2ccccc12 ZINC000614737362 1106907599 /nfs/dbraw/zinc/90/75/99/1106907599.db2.gz ZHKSBPKHSVJEIL-UHFFFAOYSA-N -1 1 365.813 4.442 20 0 FIADMM Cc1c(NC(=O)c2cc(Br)ccc2[O-])cnn1C1CCCC1 ZINC000192987320 1106915286 /nfs/dbraw/zinc/91/52/86/1106915286.db2.gz PFCIOYJTEJDYFF-UHFFFAOYSA-N -1 1 364.243 4.027 20 0 FIADMM CSc1nc(C)c(CCC(=O)N[C@H](CC(C)C)c2ccccc2)c(=O)[n-]1 ZINC000029107185 1106917571 /nfs/dbraw/zinc/91/75/71/1106917571.db2.gz RHZYANITLXVBMM-QGZVFWFLSA-N -1 1 373.522 4.049 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NCC(F)(F)F)c2)c1 ZINC000451093532 1106924773 /nfs/dbraw/zinc/92/47/73/1106924773.db2.gz WDRZXUUBRXMQQP-UHFFFAOYSA-N -1 1 358.385 4.078 20 0 FIADMM Cc1nc(-c2ccc(NCCOc3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000301174081 1106953180 /nfs/dbraw/zinc/95/31/80/1106953180.db2.gz LAVIRLHRUXARFB-UHFFFAOYSA-N -1 1 370.840 4.005 20 0 FIADMM Cc1nc(-c2ccc(N3CCC(Cc4ccccc4)CC3)nc2)[n-]c(=O)c1C ZINC000301192713 1106959051 /nfs/dbraw/zinc/95/90/51/1106959051.db2.gz XJWBZMICTZQBCH-UHFFFAOYSA-N -1 1 374.488 4.320 20 0 FIADMM Cc1nc(-c2ccc(N(C)Cc3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000301346698 1106999844 /nfs/dbraw/zinc/99/98/44/1106999844.db2.gz IEGBSYKKQNRVHR-UHFFFAOYSA-N -1 1 354.841 4.151 20 0 FIADMM Cc1nc(-c2ccc(NC[C@H]3CCCO[C@H]3C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000301410828 1107021325 /nfs/dbraw/zinc/02/13/25/1107021325.db2.gz YCJTVSIKOZWUNU-CRAIPNDOSA-N -1 1 370.497 4.114 20 0 FIADMM Cc1ccc(O[C@@H](C)CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301434443 1107029886 /nfs/dbraw/zinc/02/98/86/1107029886.db2.gz HBAXKERMWARIGO-AWEZNQCLSA-N -1 1 364.449 4.049 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2nc3ccccc3o2)c1)c1ccccc1 ZINC000301457995 1107035628 /nfs/dbraw/zinc/03/56/28/1107035628.db2.gz ZENSEYPUYLAJOO-UHFFFAOYSA-N -1 1 366.398 4.421 20 0 FIADMM Cc1nc(-c2ccc(NC[C@H](c3cccnc3)C(C)C)nc2)[n-]c(=O)c1C ZINC000301538744 1107064112 /nfs/dbraw/zinc/06/41/12/1107064112.db2.gz BJJFVJBBQMZPAF-SFHVURJKSA-N -1 1 363.465 4.108 20 0 FIADMM Cc1nc(-c2ccc(N(C)[C@H](C)c3ccc(F)c(F)c3)nc2)[n-]c(=O)c1C ZINC000301998779 1107245388 /nfs/dbraw/zinc/24/53/88/1107245388.db2.gz UWPSRHSBOWUXAZ-CYBMUJFWSA-N -1 1 370.403 4.337 20 0 FIADMM CC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302201829 1107338273 /nfs/dbraw/zinc/33/82/73/1107338273.db2.gz HVGNCKWHHKTANQ-LJQANCHMSA-N -1 1 360.461 4.202 20 0 FIADMM O=C(CCCC(F)(F)F)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444374435 1107394220 /nfs/dbraw/zinc/39/42/20/1107394220.db2.gz MYVMBPHIYVUPKM-UHFFFAOYSA-N -1 1 372.387 4.126 20 0 FIADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000452639170 1107852473 /nfs/dbraw/zinc/85/24/73/1107852473.db2.gz BOYWRRRTIVEMPT-PSASIEDQSA-N -1 1 355.278 4.214 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000063879485 1107895442 /nfs/dbraw/zinc/89/54/42/1107895442.db2.gz JQESXLILIFNNEN-UHFFFAOYSA-N -1 1 372.471 4.177 20 0 FIADMM CC(C)(C)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000523122058 1107908536 /nfs/dbraw/zinc/90/85/36/1107908536.db2.gz FWMPDSNHOLZTBB-UHFFFAOYSA-N -1 1 360.479 4.252 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCCCC1 ZINC000523186914 1107972545 /nfs/dbraw/zinc/97/25/45/1107972545.db2.gz CPVICLLIKSXAHU-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)cc(Cl)c1[O-] ZINC000444561067 1107989888 /nfs/dbraw/zinc/98/98/88/1107989888.db2.gz YVOUVCADVFBXFQ-SDBXPKJASA-N -1 1 353.768 4.151 20 0 FIADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1NC(=O)c1ccccc1 ZINC000531756310 1108122773 /nfs/dbraw/zinc/12/27/73/1108122773.db2.gz KMUCTQJLXNGRCO-UHFFFAOYSA-N -1 1 364.376 4.344 20 0 FIADMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000523415808 1108204671 /nfs/dbraw/zinc/20/46/71/1108204671.db2.gz OFRGIBHENOITNB-ZETCQYMHSA-N -1 1 370.348 4.334 20 0 FIADMM CCOc1cc(-c2nc([C@H](Cc3ccccc3)OC)no2)cc(Cl)c1[O-] ZINC000453212059 1108282548 /nfs/dbraw/zinc/28/25/48/1108282548.db2.gz BQXCWIXQWJKXBY-INIZCTEOSA-N -1 1 374.824 4.425 20 0 FIADMM CCCCc1ccc(NC(=O)Cc2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000445324271 1108670439 /nfs/dbraw/zinc/67/04/39/1108670439.db2.gz QDUPDYVHKZEYNZ-UHFFFAOYSA-N -1 1 369.396 4.105 20 0 FIADMM COc1cc(-c2noc(/C=C\C(C)(C)C)n2)cc(Br)c1[O-] ZINC000445392606 1108708196 /nfs/dbraw/zinc/70/81/96/1108708196.db2.gz MYPTYEKTCUTBRI-WAYWQWQTSA-N -1 1 353.216 4.273 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3cncc(F)c3)n2)cc(Cl)c1[O-] ZINC000445411595 1108720610 /nfs/dbraw/zinc/72/06/10/1108720610.db2.gz LFHYIYRKQZCABF-ARJAWSKDSA-N -1 1 361.760 4.199 20 0 FIADMM CCC1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CCC1 ZINC000445397983 1108726216 /nfs/dbraw/zinc/72/62/16/1108726216.db2.gz OJSZXNQNRLGNRD-UHFFFAOYSA-N -1 1 353.216 4.045 20 0 FIADMM COc1cc(-c2noc([C@H]3CCCCS3)n2)cc(Br)c1[O-] ZINC000445397440 1108726411 /nfs/dbraw/zinc/72/64/11/1108726411.db2.gz HXUWRILOXOJKFD-LLVKDONJSA-N -1 1 371.256 4.172 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(-c4nnco4)cc3)no2)ccc2ccccc21 ZINC000445404898 1108730964 /nfs/dbraw/zinc/73/09/64/1108730964.db2.gz RUHCEOSXBDBOMH-UHFFFAOYSA-N -1 1 356.341 4.312 20 0 FIADMM CCOc1cc(-c2noc(CCc3ccsc3)n2)cc(Cl)c1[O-] ZINC000445429236 1108740722 /nfs/dbraw/zinc/74/07/22/1108740722.db2.gz ZCNUNLYBZIJQGI-UHFFFAOYSA-N -1 1 350.827 4.341 20 0 FIADMM CCOc1cc(-c2noc(-c3sc(C)nc3C)n2)cc(Cl)c1[O-] ZINC000445414134 1108744225 /nfs/dbraw/zinc/74/42/25/1108744225.db2.gz WGMLIBXIZXHNBJ-UHFFFAOYSA-N -1 1 351.815 4.235 20 0 FIADMM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445449115 1108751398 /nfs/dbraw/zinc/75/13/98/1108751398.db2.gz XXXKUOPGTCTXAD-YWEYNIOJSA-N -1 1 358.781 4.283 20 0 FIADMM O=C(CCc1nc(-c2ccc([O-])cc2Cl)no1)c1ccc(F)c(F)c1 ZINC000445451470 1108754913 /nfs/dbraw/zinc/75/49/13/1108754913.db2.gz GDTGZDLTXMKYBT-UHFFFAOYSA-N -1 1 364.735 4.189 20 0 FIADMM CCOc1c(Cl)cc(-c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445464757 1108775505 /nfs/dbraw/zinc/77/55/05/1108775505.db2.gz WAYPGDUXJJCVLH-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM Cc1cc(C)n(Cc2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)n1 ZINC000445467885 1108778374 /nfs/dbraw/zinc/77/83/74/1108778374.db2.gz BPPUWWPFELUZLK-UHFFFAOYSA-N -1 1 364.380 4.110 20 0 FIADMM CCOc1cc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)ccc1OC ZINC000445453259 1108786148 /nfs/dbraw/zinc/78/61/48/1108786148.db2.gz BDXQOFYLDXRACY-WEVVVXLNSA-N -1 1 356.353 4.159 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc4c(cccc4OC(F)F)[nH]3)n2)c(F)c1 ZINC000445456588 1108789661 /nfs/dbraw/zinc/78/96/61/1108789661.db2.gz JVBUMJJPFLSOGG-UHFFFAOYSA-N -1 1 361.279 4.331 20 0 FIADMM COc1ccc(-c2ncc(-c3nc(-c4ccc([O-])cc4F)no3)s2)cc1 ZINC000445457101 1108792049 /nfs/dbraw/zinc/79/20/49/1108792049.db2.gz RMTQPCKYXGRZMD-UHFFFAOYSA-N -1 1 369.377 4.380 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cc(Br)ccc3F)n2)c(F)c1 ZINC000445458608 1108792313 /nfs/dbraw/zinc/79/23/13/1108792313.db2.gz UBNLVNPGGIKUPZ-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM COc1ccc2c(c1)CCC[C@@H]2Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477945 1108798796 /nfs/dbraw/zinc/79/87/96/1108798796.db2.gz BGOOQQFOGMLWNT-CYBMUJFWSA-N -1 1 354.381 4.253 20 0 FIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1)c1ccco1 ZINC000445485619 1108805181 /nfs/dbraw/zinc/80/51/81/1108805181.db2.gz BAZZPJICSUNOKP-UHFFFAOYSA-N -1 1 365.320 4.094 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4ccccc4)n3)n2)cc1F ZINC000445485375 1108805410 /nfs/dbraw/zinc/80/54/10/1108805410.db2.gz ZYJVRUACVGUOIH-UHFFFAOYSA-N -1 1 353.378 4.296 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cc(Br)ccc3F)n2)cc1F ZINC000445476472 1108815936 /nfs/dbraw/zinc/81/59/36/1108815936.db2.gz CYAFEIPSWZMWGN-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000524319906 1108964975 /nfs/dbraw/zinc/96/49/75/1108964975.db2.gz CVUYWZDGRRAJGL-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000525403395 1109373035 /nfs/dbraw/zinc/37/30/35/1109373035.db2.gz LZZVYHNXVGXBOV-OLZOCXBDSA-N -1 1 371.799 4.317 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000525403397 1109373781 /nfs/dbraw/zinc/37/37/81/1109373781.db2.gz LZZVYHNXVGXBOV-STQMWFEESA-N -1 1 371.799 4.317 20 0 FIADMM O=C(CC1=CCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525584787 1109433814 /nfs/dbraw/zinc/43/38/14/1109433814.db2.gz ZFOBKPBYQWSJBD-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1ccc(F)c(F)c1F ZINC000447274632 1109486547 /nfs/dbraw/zinc/48/65/47/1109486547.db2.gz OCXJQBRSCUAULB-UHFFFAOYSA-N -1 1 371.311 4.304 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1 ZINC000525773774 1109514413 /nfs/dbraw/zinc/51/44/13/1109514413.db2.gz GSZKYEOSMXLSRS-UHFFFAOYSA-N -1 1 372.396 4.063 20 0 FIADMM CCOc1cc(C(=O)NCCc2c[nH]c3cc(C)ccc23)cc(Cl)c1[O-] ZINC000527136881 1109704951 /nfs/dbraw/zinc/70/49/51/1109704951.db2.gz GESNQXXEOCZQJO-UHFFFAOYSA-N -1 1 372.852 4.207 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2ccccc2OC(C)C)cc(Cl)c1[O-] ZINC000527489511 1109768394 /nfs/dbraw/zinc/76/83/94/1109768394.db2.gz CHJTYDZXPFNYNK-GFCCVEGCSA-N -1 1 363.841 4.332 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)c2ccccc2n1 ZINC000448550207 1109826790 /nfs/dbraw/zinc/82/67/90/1109826790.db2.gz RUDMZYWRKUOUDW-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM CC1(C)[C@H](c2ccc(F)cc2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000528746858 1110099824 /nfs/dbraw/zinc/09/98/24/1110099824.db2.gz ZSXKOLLDHBDMIJ-AWEZNQCLSA-N -1 1 357.454 4.304 20 0 FIADMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(Br)c(F)c1F ZINC000529008146 1110175900 /nfs/dbraw/zinc/17/59/00/1110175900.db2.gz FKNIZXCKTKMJHP-UHFFFAOYSA-N -1 1 357.154 4.153 20 0 FIADMM CC(C)(C)c1noc(CCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)n1 ZINC000529539136 1110284305 /nfs/dbraw/zinc/28/43/05/1110284305.db2.gz QBHJYBHZWLOIKY-UHFFFAOYSA-N -1 1 373.840 4.451 20 0 FIADMM C[C@@H]1CCn2ncc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)c2C1 ZINC000529539325 1110284339 /nfs/dbraw/zinc/28/43/39/1110284339.db2.gz QRXJLPCHTRPPOF-LLVKDONJSA-N -1 1 355.825 4.230 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(F)cc1F ZINC000552198595 1111611806 /nfs/dbraw/zinc/61/18/06/1111611806.db2.gz QFEDWNUKBAOAPT-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM Cc1ccc(CC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1O ZINC000552209816 1111626865 /nfs/dbraw/zinc/62/68/65/1111626865.db2.gz YDDANBHRQVIPRJ-UHFFFAOYSA-N -1 1 370.630 4.003 20 0 FIADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000478067966 1111676261 /nfs/dbraw/zinc/67/62/61/1111676261.db2.gz NISZXBVBAMDBOB-UYAOXDASSA-N -1 1 372.490 4.108 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)cc1C ZINC000478689710 1111851244 /nfs/dbraw/zinc/85/12/44/1111851244.db2.gz FYNPJMOFYXVYFP-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(C)cc1C ZINC000478704213 1111858020 /nfs/dbraw/zinc/85/80/20/1111858020.db2.gz MNPIDUXCWNZVQD-UHFFFAOYSA-N -1 1 373.396 4.218 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000552960601 1111868915 /nfs/dbraw/zinc/86/89/15/1111868915.db2.gz WGXBRGFSBSVXRS-NUJGCVRESA-N -1 1 371.864 4.463 20 0 FIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc4ncsc4c3)c2)n1 ZINC000479493779 1112045626 /nfs/dbraw/zinc/04/56/26/1112045626.db2.gz BLBUKQFIMXKRHQ-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc2ncsc2c1 ZINC000479495548 1112046706 /nfs/dbraw/zinc/04/67/06/1112046706.db2.gz GULUQBDHFFNESN-UHFFFAOYSA-N -1 1 355.444 4.092 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc2)o1 ZINC000479508929 1112051122 /nfs/dbraw/zinc/05/11/22/1112051122.db2.gz AZPXZVTVAFPKOC-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F ZINC000479555955 1112069938 /nfs/dbraw/zinc/06/99/38/1112069938.db2.gz PSNPRMOEICPOAY-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM CCC[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000479741418 1112126887 /nfs/dbraw/zinc/12/68/87/1112126887.db2.gz GQSCWVNHQUBYGT-LJQANCHMSA-N -1 1 374.506 4.498 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480193796 1112321657 /nfs/dbraw/zinc/32/16/57/1112321657.db2.gz FHRDBQBZKKOBSV-UHFFFAOYSA-N -1 1 368.380 4.382 20 0 FIADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc21 ZINC000480202219 1112329962 /nfs/dbraw/zinc/32/99/62/1112329962.db2.gz UIYUWMUBICGTAS-UHFFFAOYSA-N -1 1 368.380 4.084 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc(N3CCSCC3)cc2C)c1 ZINC000667643748 1112342787 /nfs/dbraw/zinc/34/27/87/1112342787.db2.gz OBNUJBIUOAIUMB-UHFFFAOYSA-N -1 1 374.531 4.228 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cc2ccccn2c1 ZINC000554685086 1112441627 /nfs/dbraw/zinc/44/16/27/1112441627.db2.gz PEHFAXHQOTYZHF-UHFFFAOYSA-N -1 1 365.614 4.313 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000554732943 1112470569 /nfs/dbraw/zinc/47/05/69/1112470569.db2.gz CWSQFRWVWJDYSU-UHFFFAOYSA-N -1 1 363.291 4.052 20 0 FIADMM O=c1nc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)[n-]c2ccsc21 ZINC000481479398 1112956464 /nfs/dbraw/zinc/95/64/64/1112956464.db2.gz DOIJOYWCYYUTRW-CYBMUJFWSA-N -1 1 357.454 4.306 20 0 FIADMM CCN(C(=O)c1cncc([O-])c1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000555867379 1113034934 /nfs/dbraw/zinc/03/49/34/1113034934.db2.gz WWUXWYMUUOVCLT-LJQANCHMSA-N -1 1 367.836 4.087 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc(Cl)c1[O-] ZINC000481855902 1113106824 /nfs/dbraw/zinc/10/68/24/1113106824.db2.gz FKIRBGMXUPWLMZ-AWEZNQCLSA-N -1 1 367.873 4.056 20 0 FIADMM CCOc1cc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc(Cl)c1[O-] ZINC000481855903 1113106997 /nfs/dbraw/zinc/10/69/97/1113106997.db2.gz FKIRBGMXUPWLMZ-CQSZACIVSA-N -1 1 367.873 4.056 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccc2ncccc2c1 ZINC000481967303 1113142418 /nfs/dbraw/zinc/14/24/18/1113142418.db2.gz RJEVBIAFQLIULZ-UHFFFAOYSA-N -1 1 372.421 4.106 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1cccc(Cl)c1 ZINC000481969893 1113142908 /nfs/dbraw/zinc/14/29/08/1113142908.db2.gz XZBOOUCYXZEQRP-UHFFFAOYSA-N -1 1 355.818 4.211 20 0 FIADMM CCCCCC[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000042351026 1113209385 /nfs/dbraw/zinc/20/93/85/1113209385.db2.gz VXIOBKFFXBJNMX-JTQLQIEISA-N -1 1 354.335 4.148 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000482540077 1113288173 /nfs/dbraw/zinc/28/81/73/1113288173.db2.gz WWMRORVPULFVCP-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000482546693 1113293763 /nfs/dbraw/zinc/29/37/63/1113293763.db2.gz BNJXIUYYORVQMM-NSHDSACASA-N -1 1 364.264 4.291 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1 ZINC000482547550 1113294417 /nfs/dbraw/zinc/29/44/17/1113294417.db2.gz DMIGUACPWAHQKF-SNVBAGLBSA-N -1 1 368.202 4.008 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc3ncccc32)c1 ZINC000482563028 1113296778 /nfs/dbraw/zinc/29/67/78/1113296778.db2.gz ZHYRGFBKLXEPKA-UHFFFAOYSA-N -1 1 357.207 4.264 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cn(C)c3ccccc23)c1 ZINC000482579194 1113301854 /nfs/dbraw/zinc/30/18/54/1113301854.db2.gz QIBHOBBSRBSKMH-UHFFFAOYSA-N -1 1 359.223 4.207 20 0 FIADMM COc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1Cl ZINC000482643886 1113318571 /nfs/dbraw/zinc/31/85/71/1113318571.db2.gz WYKKMMKEADMBII-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM O=C(Nc1nc(CN2CCCCC2)cs1)Nc1ccc([O-])c(Cl)c1 ZINC000486181775 1113522756 /nfs/dbraw/zinc/52/27/56/1113522756.db2.gz YYDYSBYSJCAWDP-UHFFFAOYSA-N -1 1 366.874 4.132 20 0 FIADMM CC[C@@H](C)Oc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000486326061 1113544950 /nfs/dbraw/zinc/54/49/50/1113544950.db2.gz XYNHJIYAIUXFRW-CQSZACIVSA-N -1 1 363.417 4.070 20 0 FIADMM COc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000460190843 1113563872 /nfs/dbraw/zinc/56/38/72/1113563872.db2.gz FTSXOGWAEIHVBQ-UHFFFAOYSA-N -1 1 366.244 4.169 20 0 FIADMM O=C(NCCCc1cccc(Cl)c1)c1ccc(Br)c([O-])c1 ZINC000486716830 1113628547 /nfs/dbraw/zinc/62/85/47/1113628547.db2.gz VHNXFQBXOKRLPD-UHFFFAOYSA-N -1 1 368.658 4.171 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000908711248 1113687518 /nfs/dbraw/zinc/68/75/18/1113687518.db2.gz RXMKPJPLVPIBKP-RKDXNWHRSA-N -1 1 366.177 4.462 20 0 FIADMM CC(C)O[C@H](CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccccc1 ZINC000488237627 1113885837 /nfs/dbraw/zinc/88/58/37/1113885837.db2.gz ZOPIBMSEXNWGGD-QGZVFWFLSA-N -1 1 374.506 4.322 20 0 FIADMM O=C(C[C@@H]1C=CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000489393879 1114100628 /nfs/dbraw/zinc/10/06/28/1114100628.db2.gz CTJNDSIAVHMTMD-MRXNPFEDSA-N -1 1 370.474 4.172 20 0 FIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc4ncsc4c3)ccc21 ZINC000489743204 1114167536 /nfs/dbraw/zinc/16/75/36/1114167536.db2.gz SRWXYYGENXVDDN-UHFFFAOYSA-N -1 1 372.475 4.028 20 0 FIADMM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000490830195 1114336244 /nfs/dbraw/zinc/33/62/44/1114336244.db2.gz UMGVFGPZRODCFG-LLVKDONJSA-N -1 1 359.294 4.136 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(CSC)c2)c1 ZINC000571012837 1114428109 /nfs/dbraw/zinc/42/81/09/1114428109.db2.gz UZINQSDMICIEMD-UHFFFAOYSA-N -1 1 371.911 4.150 20 0 FIADMM C[C@@H]1CCC[C@H](CNC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000055481501 1114475730 /nfs/dbraw/zinc/47/57/30/1114475730.db2.gz DWWUBQKUCNRQPN-OLZOCXBDSA-N -1 1 364.540 4.002 20 0 FIADMM CCc1c([N-]C(=O)c2cc(-c3cccc(F)c3)no2)onc1C(F)(F)F ZINC000571712006 1114493514 /nfs/dbraw/zinc/49/35/14/1114493514.db2.gz WPWIZRIDFDGNJH-UHFFFAOYSA-N -1 1 369.274 4.302 20 0 FIADMM Cc1nc(C(C)C)oc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000572290331 1114626610 /nfs/dbraw/zinc/62/66/10/1114626610.db2.gz ODDMGLJKNRIDEE-UHFFFAOYSA-N -1 1 373.634 4.480 20 0 FIADMM O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc2ccccc2cc1[O-] ZINC000760710626 1114653625 /nfs/dbraw/zinc/65/36/25/1114653625.db2.gz VPDVSOVDIWUQFB-UHFFFAOYSA-N -1 1 361.441 4.106 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2NC(C)=O)cc1 ZINC000589938894 1114870458 /nfs/dbraw/zinc/87/04/58/1114870458.db2.gz MZRPJRLIOYABAE-AWEZNQCLSA-N -1 1 360.479 4.268 20 0 FIADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000590262987 1114918090 /nfs/dbraw/zinc/91/80/90/1114918090.db2.gz DJEOUOHLKFKCBY-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590610497 1114952782 /nfs/dbraw/zinc/95/27/82/1114952782.db2.gz VELUSXPEOGMRLW-PWSUYJOCSA-N -1 1 366.346 4.148 20 0 FIADMM CCCCN(Cn1c(Cc2cccs2)n[n-]c1=S)CC(F)(F)F ZINC000058205800 1115139760 /nfs/dbraw/zinc/13/97/60/1115139760.db2.gz VEPIWBJXFQTFCS-UHFFFAOYSA-N -1 1 364.462 4.215 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000591796750 1115139789 /nfs/dbraw/zinc/13/97/89/1115139789.db2.gz PKEYHUNNXWVNGF-UHFFFAOYSA-N -1 1 369.286 4.281 20 0 FIADMM CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000592880635 1115269578 /nfs/dbraw/zinc/26/95/78/1115269578.db2.gz AUSFFKFKOZIRBG-UHFFFAOYSA-N -1 1 369.461 4.129 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2csc(Cl)c2Cl)cc1 ZINC000669470492 1115284521 /nfs/dbraw/zinc/28/45/21/1115284521.db2.gz KQEUZADDVPRTSA-LBPRGKRZSA-N -1 1 360.262 4.369 20 0 FIADMM COCc1ccc([C@H]2CCCN2c2c(C(=O)[O-])cnc3ccccc32)o1 ZINC000574813969 1115497160 /nfs/dbraw/zinc/49/71/60/1115497160.db2.gz SJKYCDPBIOSYBK-QGZVFWFLSA-N -1 1 352.390 4.014 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)c1 ZINC000669646974 1115714888 /nfs/dbraw/zinc/71/48/88/1115714888.db2.gz XDNDRRSMNFLDFQ-UHFFFAOYSA-N -1 1 363.479 4.201 20 0 FIADMM O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cncc([O-])c1 ZINC000599296741 1115806569 /nfs/dbraw/zinc/80/65/69/1115806569.db2.gz LNZOTSYLTNWCMG-UHFFFAOYSA-N -1 1 351.431 4.042 20 0 FIADMM Cc1nc(COc2cccc(C(=O)Nc3c([O-])cccc3F)c2)cs1 ZINC000605439580 1115895742 /nfs/dbraw/zinc/89/57/42/1115895742.db2.gz IVOGVDYOECLYBI-UHFFFAOYSA-N -1 1 358.394 4.128 20 0 FIADMM CC[C@@]1(C)CCCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000173502033 1116072436 /nfs/dbraw/zinc/07/24/36/1116072436.db2.gz HSGBUSXYUGJGOM-FQEVSTJZSA-N -1 1 372.538 4.345 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)cs1)c1noc(-c2cccc(F)c2)n1 ZINC000607996136 1116077706 /nfs/dbraw/zinc/07/77/06/1116077706.db2.gz WLVLZTSGFTXPLL-UHFFFAOYSA-N -1 1 372.406 4.313 20 0 FIADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)[nH]n1 ZINC000608258203 1116091877 /nfs/dbraw/zinc/09/18/77/1116091877.db2.gz QCEPJMLNOZTSJY-UHFFFAOYSA-N -1 1 367.474 4.079 20 0 FIADMM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1c([O-])cccc1F ZINC000608366003 1116102671 /nfs/dbraw/zinc/10/26/71/1116102671.db2.gz YTDKQKQHZOPATK-UHFFFAOYSA-N -1 1 355.365 4.174 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000609016117 1116140541 /nfs/dbraw/zinc/14/05/41/1116140541.db2.gz YPJRWUKFSDDFBQ-UHFFFAOYSA-N -1 1 355.912 4.355 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000609015599 1116140613 /nfs/dbraw/zinc/14/06/13/1116140613.db2.gz BJLNERGHIHOPAV-UHFFFAOYSA-N -1 1 355.912 4.355 20 0 FIADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000534271674 1116177305 /nfs/dbraw/zinc/17/73/05/1116177305.db2.gz SJBAPUKNAHSINR-ZDUSSCGKSA-N -1 1 374.156 4.188 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc3ccccc32)c1-c1ccccc1 ZINC000535393393 1116303856 /nfs/dbraw/zinc/30/38/56/1116303856.db2.gz DEMNCDDMUIHVQV-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM Cc1ccc(C(F)(F)F)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000539957774 1117775545 /nfs/dbraw/zinc/77/55/45/1117775545.db2.gz FOCFLCHAMRFPIQ-UHFFFAOYSA-N -1 1 351.250 4.140 20 0 FIADMM Cc1ccccc1[C@@H]1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000462818129 1117794175 /nfs/dbraw/zinc/79/41/75/1117794175.db2.gz QBRXRMVBMDOADJ-GOSISDBHSA-N -1 1 360.461 4.163 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)sc1C ZINC000540217554 1117942209 /nfs/dbraw/zinc/94/22/09/1117942209.db2.gz OTJSLLXALSDHIU-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1 ZINC000540294177 1117979068 /nfs/dbraw/zinc/97/90/68/1117979068.db2.gz GTACDZLSJIMLQS-UHFFFAOYSA-N -1 1 368.458 4.377 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1c(F)cccc1Cl ZINC000463688274 1118283437 /nfs/dbraw/zinc/28/34/37/1118283437.db2.gz SMPGMHMEVISFBE-MRXNPFEDSA-N -1 1 365.813 4.140 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1Cl ZINC000464421089 1118558690 /nfs/dbraw/zinc/55/86/90/1118558690.db2.gz POSACGDNUHHTBZ-UHFFFAOYSA-N -1 1 364.879 4.411 20 0 FIADMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000541807664 1118657007 /nfs/dbraw/zinc/65/70/07/1118657007.db2.gz SIVDMERAPXZNIY-UHFFFAOYSA-N -1 1 369.433 4.471 20 0 FIADMM COc1ccc(Cl)cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000261369905 1118789485 /nfs/dbraw/zinc/78/94/85/1118789485.db2.gz LGSKXSWDMPDNDB-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM O=C(CC1CCC(C(F)(F)F)CC1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000542172442 1118825768 /nfs/dbraw/zinc/82/57/68/1118825768.db2.gz ZRHKYEZOYYWHNJ-UHFFFAOYSA-N -1 1 357.401 4.257 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccc(Cl)cc1 ZINC000303431744 1118937314 /nfs/dbraw/zinc/93/73/14/1118937314.db2.gz DWGXAQSMQXQXKA-UHFFFAOYSA-N -1 1 360.822 4.328 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000303509301 1118952730 /nfs/dbraw/zinc/95/27/30/1118952730.db2.gz BALBFJLIIGNGKR-QGZVFWFLSA-N -1 1 350.256 4.117 20 0 FIADMM COc1cc(-c2nc(Cc3ccc(OC(C)C)cc3)no2)cc(Cl)c1[O-] ZINC000443205246 1119493809 /nfs/dbraw/zinc/49/38/09/1119493809.db2.gz RYKDCHTVEXOHJP-UHFFFAOYSA-N -1 1 374.824 4.482 20 0 FIADMM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000152828645 1119515885 /nfs/dbraw/zinc/51/58/85/1119515885.db2.gz KWUADTSKHUEBRT-GOSISDBHSA-N -1 1 372.469 4.058 20 0 FIADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000494083897 1119538928 /nfs/dbraw/zinc/53/89/28/1119538928.db2.gz UAJGVKWWOGLJAG-UHFFFAOYSA-N -1 1 354.431 4.124 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(=O)c2cccs2)c1 ZINC000182933593 1119563141 /nfs/dbraw/zinc/56/31/41/1119563141.db2.gz NBXHOCVYVXUDDO-UHFFFAOYSA-N -1 1 368.252 4.126 20 0 FIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000185052349 1119638258 /nfs/dbraw/zinc/63/82/58/1119638258.db2.gz PZOCUGBMSORONX-ZDUSSCGKSA-N -1 1 368.433 4.248 20 0 FIADMM CC[C@H](CN(CC)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000187416709 1119782742 /nfs/dbraw/zinc/78/27/42/1119782742.db2.gz DIUVTPRASXEYFF-MRXNPFEDSA-N -1 1 369.509 4.032 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189224638 1119866625 /nfs/dbraw/zinc/86/66/25/1119866625.db2.gz NLKMSDTVIRAFPR-UHFFFAOYSA-N -1 1 357.397 4.463 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCC2CCCC2)cc1 ZINC000031931740 1119901540 /nfs/dbraw/zinc/90/15/40/1119901540.db2.gz MMKYPJMWGRUKNS-UHFFFAOYSA-N -1 1 358.511 4.003 20 0 FIADMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(OC)cc1Cl ZINC000190923131 1119954154 /nfs/dbraw/zinc/95/41/54/1119954154.db2.gz YATFAHMZOJAICB-UHFFFAOYSA-N -1 1 357.193 4.360 20 0 FIADMM COC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1Cl ZINC000190963612 1119956354 /nfs/dbraw/zinc/95/63/54/1119956354.db2.gz PIZXSBWESCDOGC-UHFFFAOYSA-N -1 1 355.177 4.130 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)c1 ZINC000224430246 1119980748 /nfs/dbraw/zinc/98/07/48/1119980748.db2.gz JXTBVHBDXKNHRN-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)n(Cc2ccccc2)n1 ZINC000192189840 1120038235 /nfs/dbraw/zinc/03/82/35/1120038235.db2.gz ZGLHYLACECNMIB-UHFFFAOYSA-N -1 1 356.813 4.243 20 0 FIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000195640266 1120201393 /nfs/dbraw/zinc/20/13/93/1120201393.db2.gz OJWMXZBSNZLLLQ-OAHLLOKOSA-N -1 1 374.506 4.139 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2ccnc(OCc3ccccc3)c2)no1 ZINC000761694209 1120238419 /nfs/dbraw/zinc/23/84/19/1120238419.db2.gz WPXOUVQSEQTDEO-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc2ccccc2cc1[O-] ZINC000031264465 1121080273 /nfs/dbraw/zinc/08/02/73/1121080273.db2.gz DKWUXMUGTLPVDZ-LJQANCHMSA-N -1 1 363.413 4.356 20 0 FIADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000032585325 1121110920 /nfs/dbraw/zinc/11/09/20/1121110920.db2.gz BVMNNHKGWZKHNP-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C(F)(F)F)c1 ZINC000054293486 1121187682 /nfs/dbraw/zinc/18/76/82/1121187682.db2.gz VGOPYRPRBSHNII-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM CCCc1ccccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000044079685 1121216225 /nfs/dbraw/zinc/21/62/25/1121216225.db2.gz WGLMVKTWBWGBSP-UHFFFAOYSA-N -1 1 366.461 4.472 20 0 FIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(-c2cccs2)n1 ZINC000046758642 1121297232 /nfs/dbraw/zinc/29/72/32/1121297232.db2.gz LJYSSFCKBCVKBF-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM [O-]c1cccc(CNc2ccc3nccnc3c2Br)c1Cl ZINC000328207359 1121431823 /nfs/dbraw/zinc/43/18/23/1121431823.db2.gz HRIVQXPWTBDERX-UHFFFAOYSA-N -1 1 364.630 4.363 20 0 FIADMM Cc1nc(NC(=O)C[C@H]2CCC[C@H](C)C2)sc1-c1n[n-]c(=S)n1C ZINC000153888648 1121439859 /nfs/dbraw/zinc/43/98/59/1121439859.db2.gz OTZAQRCNMUGNBG-ONGXEEELSA-N -1 1 365.528 4.065 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938245 1121644934 /nfs/dbraw/zinc/64/49/34/1121644934.db2.gz HYQMXQVZJAASJV-UHFFFAOYSA-N -1 1 365.882 4.376 20 0 FIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1cccc(Cl)c1 ZINC000064938384 1121645125 /nfs/dbraw/zinc/64/51/25/1121645125.db2.gz KIVVSTBEJPPOQI-UHFFFAOYSA-N -1 1 351.855 4.067 20 0 FIADMM CC(=O)N(Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1)C1CC1 ZINC000124888427 1121728798 /nfs/dbraw/zinc/72/87/98/1121728798.db2.gz GFJPYDZSPDTKLY-UHFFFAOYSA-N -1 1 374.440 4.309 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032098368 1121775012 /nfs/dbraw/zinc/77/50/12/1121775012.db2.gz VVNFLJJMCUJEFG-UHFFFAOYSA-N -1 1 354.815 4.002 20 0 FIADMM CCS[C@@H](C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)C(C)C ZINC000068435413 1121826711 /nfs/dbraw/zinc/82/67/11/1121826711.db2.gz PXEXHFPYOYXGPD-CQSZACIVSA-N -1 1 370.588 4.005 20 0 FIADMM Cc1cc(C)cc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1 ZINC000068447333 1121828556 /nfs/dbraw/zinc/82/85/56/1121828556.db2.gz ALUOSUOBPFTVMX-UHFFFAOYSA-N -1 1 358.511 4.158 20 0 FIADMM O=C([N-][C@@H](c1nccs1)c1ccccc1)C(F)(F)c1ccccc1F ZINC000765779968 1121982580 /nfs/dbraw/zinc/98/25/80/1121982580.db2.gz ZHBRABRLEYOUAJ-OAHLLOKOSA-N -1 1 362.376 4.280 20 0 FIADMM C=C(C)C[C@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000186317269 1122028725 /nfs/dbraw/zinc/02/87/25/1122028725.db2.gz WHEDFAPYJTZKFC-ZDUSSCGKSA-N -1 1 368.458 4.297 20 0 FIADMM CCCCOc1ccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])cc1OC ZINC001626022441 1122117578 /nfs/dbraw/zinc/11/75/78/1122117578.db2.gz NRHMNRPZVOESDU-ZDUSSCGKSA-N -1 1 361.413 4.210 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1 ZINC000055595495 1122256528 /nfs/dbraw/zinc/25/65/28/1122256528.db2.gz NNDVQZIWURWSQA-UHFFFAOYSA-N -1 1 372.490 4.097 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000055619884 1122257890 /nfs/dbraw/zinc/25/78/90/1122257890.db2.gz ZTNHLNWLOHXBQK-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000055638824 1122259238 /nfs/dbraw/zinc/25/92/38/1122259238.db2.gz YIAMQOLOAHCOLW-UHFFFAOYSA-N -1 1 368.458 4.379 20 0 FIADMM COc1cccc(Cl)c1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001128090594 1122293098 /nfs/dbraw/zinc/29/30/98/1122293098.db2.gz MNPSDYJVMBBXAX-UHFFFAOYSA-N -1 1 361.722 4.035 20 0 FIADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000917734484 1122421214 /nfs/dbraw/zinc/42/12/14/1122421214.db2.gz UAKOFTJYFFIHOI-ZHACJKMWSA-N -1 1 357.353 4.306 20 0 FIADMM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc2ccccc2cc1[O-] ZINC000917797320 1122444657 /nfs/dbraw/zinc/44/46/57/1122444657.db2.gz JJTWMDBSGGOYQN-UHFFFAOYSA-N -1 1 364.376 4.064 20 0 FIADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670420425 1122485840 /nfs/dbraw/zinc/48/58/40/1122485840.db2.gz SZBPWTGKADRLKM-NSHDSACASA-N -1 1 355.278 4.214 20 0 FIADMM CCc1cc2c(CNc3ccc4ncsc4c3)cc(=O)oc2cc1[O-] ZINC000917932068 1122490953 /nfs/dbraw/zinc/49/09/53/1122490953.db2.gz UJDGPVCFMHBQTD-UHFFFAOYSA-N -1 1 352.415 4.283 20 0 FIADMM CCC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000498028345 1122525727 /nfs/dbraw/zinc/52/57/27/1122525727.db2.gz MFVMQRJRYSUUKM-INIZCTEOSA-N -1 1 374.506 4.479 20 0 FIADMM Cc1ccc(NC(=O)[C@H](C)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000498200902 1122624241 /nfs/dbraw/zinc/62/42/41/1122624241.db2.gz JHBRVPIRJHWVDD-OAHLLOKOSA-N -1 1 360.479 4.026 20 0 FIADMM O=C([O-])C[C@@H](NCc1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000556322229 1122802248 /nfs/dbraw/zinc/80/22/48/1122802248.db2.gz IXGVBCFXTNGPEY-CQSZACIVSA-N -1 1 359.294 4.289 20 0 FIADMM COc1ccccc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000556322475 1122809024 /nfs/dbraw/zinc/80/90/24/1122809024.db2.gz ZCHOOZCYBOEVEY-HNNXBMFYSA-N -1 1 353.340 4.020 20 0 FIADMM CC(C)Sc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000919501159 1123022233 /nfs/dbraw/zinc/02/22/33/1123022233.db2.gz DFIPDQVDTNSCJX-UHFFFAOYSA-N -1 1 370.426 4.356 20 0 FIADMM O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000649207796 1123054890 /nfs/dbraw/zinc/05/48/90/1123054890.db2.gz HSQGBUNSEPOJLY-GXSJLCMTSA-N -1 1 355.278 4.262 20 0 FIADMM [O-]c1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c(F)c1 ZINC000131958831 1123204492 /nfs/dbraw/zinc/20/44/92/1123204492.db2.gz XXLJZHKYTOSKKI-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC000073853669 1123251652 /nfs/dbraw/zinc/25/16/52/1123251652.db2.gz CSUORJSSXMYCAT-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cccc2ccccc21 ZINC000132728040 1123352667 /nfs/dbraw/zinc/35/26/67/1123352667.db2.gz PTACMKUDGKIEIA-UHFFFAOYSA-N -1 1 350.399 4.296 20 0 FIADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000132896976 1123377879 /nfs/dbraw/zinc/37/78/79/1123377879.db2.gz DZBSPFAKKQZVOX-QGZVFWFLSA-N -1 1 372.218 4.267 20 0 FIADMM COc1cc([C@H](C)NC(=O)c2c([O-])cccc2Cl)ccc1OC(C)C ZINC000920445781 1123458229 /nfs/dbraw/zinc/45/82/29/1123458229.db2.gz FMULSDAEFRZWMQ-LBPRGKRZSA-N -1 1 363.841 4.332 20 0 FIADMM O=C(NCc1cccnc1Oc1cccc(F)c1)c1c([O-])cccc1Cl ZINC000920448554 1123458690 /nfs/dbraw/zinc/45/86/90/1123458690.db2.gz NBSQHSDKWDANHP-UHFFFAOYSA-N -1 1 372.783 4.302 20 0 FIADMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920457431 1123459615 /nfs/dbraw/zinc/45/96/15/1123459615.db2.gz HTYPERSDDRKHRD-UHFFFAOYSA-N -1 1 354.233 4.240 20 0 FIADMM Cc1nc(-c2ccc(CCNC(=O)c3c([O-])cccc3Cl)cc2)cs1 ZINC000920431450 1123461290 /nfs/dbraw/zinc/46/12/90/1123461290.db2.gz CCJIDTBEPSIGEC-UHFFFAOYSA-N -1 1 372.877 4.450 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000133765866 1123529614 /nfs/dbraw/zinc/52/96/14/1123529614.db2.gz DDBGVHOQCWWMRJ-LBPRGKRZSA-N -1 1 353.315 4.180 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CC34CC(OCC)C4)n2)cc(Cl)c1[O-] ZINC000866972555 1123657374 /nfs/dbraw/zinc/65/73/74/1123657374.db2.gz STDNEWLETWWLNA-BJCXPLBRSA-N -1 1 364.829 4.167 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCCC2(C)C)c1 ZINC000174940886 1123672962 /nfs/dbraw/zinc/67/29/62/1123672962.db2.gz NEISFFOCKNEGCN-HNNXBMFYSA-N -1 1 358.511 4.001 20 0 FIADMM CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000135076304 1123714661 /nfs/dbraw/zinc/71/46/61/1123714661.db2.gz GHYXHYYVXABNIZ-CQSZACIVSA-N -1 1 367.630 4.004 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC000135356160 1123742398 /nfs/dbraw/zinc/74/23/98/1123742398.db2.gz JSWGLVDZBAOZRE-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)cc3Cl)c2C)o1 ZINC000135408533 1123751247 /nfs/dbraw/zinc/75/12/47/1123751247.db2.gz BAUDYMCYYDLFDG-UHFFFAOYSA-N -1 1 365.842 4.049 20 0 FIADMM CCCCCC[C@@H](C)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000175245179 1123787883 /nfs/dbraw/zinc/78/78/83/1123787883.db2.gz RYQVRYLIZDZLGS-LLVKDONJSA-N -1 1 367.544 4.070 20 0 FIADMM O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc([O-])c(Cl)c1 ZINC000135905642 1123813763 /nfs/dbraw/zinc/81/37/63/1123813763.db2.gz JVNOQBMLHJRBLK-UHFFFAOYSA-N -1 1 363.200 4.265 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1c1ccsc1 ZINC000136049202 1123829139 /nfs/dbraw/zinc/82/91/39/1123829139.db2.gz PIFYNDPBQMVAAZ-ZDUSSCGKSA-N -1 1 352.253 4.194 20 0 FIADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000079042550 1123837697 /nfs/dbraw/zinc/83/76/97/1123837697.db2.gz NZNXIZSLEJBDID-UHFFFAOYSA-N -1 1 372.780 4.224 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC2CCC(C)(C)CC2)c1 ZINC000175647859 1123938365 /nfs/dbraw/zinc/93/83/65/1123938365.db2.gz OZTGCUDVXGECPF-UHFFFAOYSA-N -1 1 372.538 4.391 20 0 FIADMM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cc(Cl)sc1Cl ZINC000615237695 1123958452 /nfs/dbraw/zinc/95/84/52/1123958452.db2.gz JWNFYSCSXNBWDH-UHFFFAOYSA-N -1 1 362.259 4.280 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000179767970 1124063964 /nfs/dbraw/zinc/06/39/64/1124063964.db2.gz ZTIMSOCXBMHWLP-GOSISDBHSA-N -1 1 371.820 4.015 20 0 FIADMM Cc1ccccc1NC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCC1 ZINC000615876900 1124152436 /nfs/dbraw/zinc/15/24/36/1124152436.db2.gz GJOGOOKCNIDRBN-UHFFFAOYSA-N -1 1 360.404 4.134 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1 ZINC000615943005 1124171136 /nfs/dbraw/zinc/17/11/36/1124171136.db2.gz RURHZYFHEDBCLY-UHFFFAOYSA-N -1 1 373.396 4.381 20 0 FIADMM COc1ccc(-c2ccc(-c3noc(-c4cc(C(C)=O)[n-]n4)n3)cc2)cc1 ZINC001212429561 1124214605 /nfs/dbraw/zinc/21/46/05/1124214605.db2.gz JIDBCPXUIQHNKY-UHFFFAOYSA-N -1 1 360.373 4.005 20 0 FIADMM COc1ccc(-c2ccc(-c3noc(-c4cc(C(C)=O)n[n-]4)n3)cc2)cc1 ZINC001212429561 1124214612 /nfs/dbraw/zinc/21/46/12/1124214612.db2.gz JIDBCPXUIQHNKY-UHFFFAOYSA-N -1 1 360.373 4.005 20 0 FIADMM CC(=CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)c1ccccc1 ZINC000068435293 1124233860 /nfs/dbraw/zinc/23/38/60/1124233860.db2.gz CAXACPAPULRXBH-SQFISAMPSA-N -1 1 370.522 4.331 20 0 FIADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cccc(Cl)c1Cl ZINC000180290043 1124284008 /nfs/dbraw/zinc/28/40/08/1124284008.db2.gz PJPLOXBCVFNOGA-UHFFFAOYSA-N -1 1 372.060 4.496 20 0 FIADMM O=C(C=Cc1ccc2[nH]ccc2c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000765859758 1124291853 /nfs/dbraw/zinc/29/18/53/1124291853.db2.gz NWZOOOOFZLXQLO-KRXBUXKQSA-N -1 1 374.440 4.008 20 0 FIADMM C[C@H]1CCC[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000303969304 1124523341 /nfs/dbraw/zinc/52/33/41/1124523341.db2.gz ZLWBRPVYKSACJX-HOTGVXAUSA-N -1 1 372.490 4.252 20 0 FIADMM CCCCS(=O)(=O)Nc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000181078107 1124529138 /nfs/dbraw/zinc/52/91/38/1124529138.db2.gz RBQNSZYTDDAJFW-UHFFFAOYSA-N -1 1 368.886 4.200 20 0 FIADMM CC(C)(C)c1ccc(NNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000181119781 1124543304 /nfs/dbraw/zinc/54/33/04/1124543304.db2.gz LANSVNAGRZSJCX-UHFFFAOYSA-N -1 1 363.255 4.209 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cccc(Cl)c1 ZINC000007056725 1124862027 /nfs/dbraw/zinc/86/20/27/1124862027.db2.gz DCTMTZCWFTZFOO-UHFFFAOYSA-N -1 1 350.871 4.131 20 0 FIADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000542935198 1124911488 /nfs/dbraw/zinc/91/14/88/1124911488.db2.gz IAJWMHCQTQIDGM-CQSZACIVSA-N -1 1 372.446 4.320 20 0 FIADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(F)c(OC(F)F)c(F)c1 ZINC001212446729 1124916154 /nfs/dbraw/zinc/91/61/54/1124916154.db2.gz KASVOXWEUWGANJ-UHFFFAOYSA-N -1 1 355.243 4.122 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1csc(-c2ccccc2)n1 ZINC000672333055 1125010622 /nfs/dbraw/zinc/01/06/22/1125010622.db2.gz FUDCAXGVRKOOGM-UHFFFAOYSA-N -1 1 368.462 4.164 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000097373309 209180078 /nfs/dbraw/zinc/18/00/78/209180078.db2.gz CWDBJQRHPDIOGS-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000033286173 208081823 /nfs/dbraw/zinc/08/18/23/208081823.db2.gz OYRIOQSXKAXTAH-GHXNOFRVSA-N -1 1 350.193 4.033 20 0 FIADMM Cc1cc(C)c(-c2csc(NC(=O)c3ccc(O)cc3[O-])n2)c(C)c1 ZINC000040848298 208272396 /nfs/dbraw/zinc/27/23/96/208272396.db2.gz JGSISLAPDGRYON-UHFFFAOYSA-N -1 1 354.431 4.399 20 0 FIADMM CC[C@H](CC1CCCC1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000604004855 568195691 /nfs/dbraw/zinc/19/56/91/568195691.db2.gz JMPQJZIDQOJSAH-QGZVFWFLSA-N -1 1 357.494 4.420 20 0 FIADMM CC[C@@H](CC1CCCC1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000604004854 568195714 /nfs/dbraw/zinc/19/57/14/568195714.db2.gz JMPQJZIDQOJSAH-KRWDZBQOSA-N -1 1 357.494 4.420 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)cc1 ZINC000604305153 568247239 /nfs/dbraw/zinc/24/72/39/568247239.db2.gz DDTWDIAAVIFMCX-UHFFFAOYSA-N -1 1 367.474 4.205 20 0 FIADMM CCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c1 ZINC000028197030 568543491 /nfs/dbraw/zinc/54/34/91/568543491.db2.gz VFERAMAHPXJTQE-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000605118987 568573626 /nfs/dbraw/zinc/57/36/26/568573626.db2.gz SLDPHYMHPASTKT-OAHLLOKOSA-N -1 1 367.474 4.458 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/SCc2ccco2)c1 ZINC000182933237 1125687180 /nfs/dbraw/zinc/68/71/80/1125687180.db2.gz ZAZJPVZRVAUSFO-GQCTYLIASA-N -1 1 368.252 4.442 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(-c3ccccc3)o2)cc1 ZINC000683171042 1079792788 /nfs/dbraw/zinc/79/27/88/1079792788.db2.gz FGTNCKXTUKRRAY-LJQANCHMSA-N -1 1 351.402 4.261 20 0 FIADMM CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000683170628 1079796436 /nfs/dbraw/zinc/79/64/36/1079796436.db2.gz PLLMDGDDKKFFOR-UHFFFAOYSA-N -1 1 363.461 4.158 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1F)c1cccc(Br)c1 ZINC000683173948 1079810902 /nfs/dbraw/zinc/81/09/02/1079810902.db2.gz MSVFGVCQOZOHNZ-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1cccc(Br)c1 ZINC000683173470 1079814587 /nfs/dbraw/zinc/81/45/87/1079814587.db2.gz IXRSETDZNYQDGP-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)co1 ZINC000029433352 1079904141 /nfs/dbraw/zinc/90/41/41/1079904141.db2.gz SMPDGKKOAPKDEI-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000092604533 1079937182 /nfs/dbraw/zinc/93/71/82/1079937182.db2.gz GIRLZWFWOWCUSX-OAQYLSRUSA-N -1 1 365.404 4.023 20 0 FIADMM O=c1nc(CN2CCC3(CCC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000123598152 1079957725 /nfs/dbraw/zinc/95/77/25/1079957725.db2.gz HHQPKNSGZGXSBH-UHFFFAOYSA-N -1 1 369.465 4.167 20 0 FIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000065876356 1079967469 /nfs/dbraw/zinc/96/74/69/1079967469.db2.gz JDHYTRSUUBZLRS-UHFFFAOYSA-N -1 1 374.506 4.022 20 0 FIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3ncoc3C(C)C)n2)cc1 ZINC000075178591 1080375124 /nfs/dbraw/zinc/37/51/24/1080375124.db2.gz UGRYWCZKMJCWFI-UHFFFAOYSA-N -1 1 360.464 4.361 20 0 FIADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccccc1OC ZINC000187708464 1080459811 /nfs/dbraw/zinc/45/98/11/1080459811.db2.gz ZLAXWGBWYJOUEF-UHFFFAOYSA-N -1 1 371.824 4.055 20 0 FIADMM CCOc1ccc2c(c1)CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)CC2 ZINC001625830232 1080497880 /nfs/dbraw/zinc/49/78/80/1080497880.db2.gz DJQLISFOYZPEAU-UHFFFAOYSA-N -1 1 365.351 4.008 20 0 FIADMM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(Cl)ccc1[O-] ZINC001648801279 1080937539 /nfs/dbraw/zinc/93/75/39/1080937539.db2.gz UEWARCDMXOPDDW-ZBFHGGJFSA-N -1 1 370.207 4.098 20 0 FIADMM CCOc1cc(-c2noc(COc3ccccc3C)n2)cc(Cl)c1[O-] ZINC000683589410 1081177825 /nfs/dbraw/zinc/17/78/25/1081177825.db2.gz PYXFAMLHYJPDDI-UHFFFAOYSA-N -1 1 360.797 4.382 20 0 FIADMM Cc1ncc(Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)cc1N ZINC001210287762 1081251766 /nfs/dbraw/zinc/25/17/66/1081251766.db2.gz DIHHTMQDSBPEJX-UHFFFAOYSA-N -1 1 365.277 4.028 20 0 FIADMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(F)c1[O-] ZINC001648846535 1081287819 /nfs/dbraw/zinc/28/78/19/1081287819.db2.gz ASPMAVAUPVTMRJ-UHFFFAOYSA-N -1 1 373.815 4.168 20 0 FIADMM O=C(CSc1ccc(Br)cc1)Nc1cccc(F)c1[O-] ZINC001648848032 1081289057 /nfs/dbraw/zinc/28/90/57/1081289057.db2.gz XKVAPGCWMCTNEA-UHFFFAOYSA-N -1 1 356.216 4.025 20 0 FIADMM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000122650623 1081399733 /nfs/dbraw/zinc/39/97/33/1081399733.db2.gz MPIQRBIUGWYYKM-GFCCVEGCSA-N -1 1 357.435 4.375 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000643640095 1081508958 /nfs/dbraw/zinc/50/89/58/1081508958.db2.gz XMFDALUYIYDABU-UHFFFAOYSA-N -1 1 363.457 4.006 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1nc2ccccc2cc1Br ZINC000580128409 1081622460 /nfs/dbraw/zinc/62/24/60/1081622460.db2.gz FTWJQPIMARTCQX-UHFFFAOYSA-N -1 1 361.170 4.094 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc(F)c(F)c(F)c1F ZINC000255724224 1082111252 /nfs/dbraw/zinc/11/12/52/1082111252.db2.gz TYRKSBKNTGFMME-ARJAWSKDSA-N -1 1 369.299 4.110 20 0 FIADMM Cc1ccc(C)c([C@H]2CN(CCc3ccccc3C(=O)[O-])[C@H](C)CO2)c1 ZINC000580778449 1082136064 /nfs/dbraw/zinc/13/60/64/1082136064.db2.gz KNOOAZXWSNCHQN-DYESRHJHSA-N -1 1 353.462 4.006 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC000588396295 1082247191 /nfs/dbraw/zinc/24/71/91/1082247191.db2.gz BQPAABRGWUKWQN-HYXAFXHYSA-N -1 1 367.630 4.163 20 0 FIADMM CC(=O)N(CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)c1ccccc1 ZINC001167444863 1082299784 /nfs/dbraw/zinc/29/97/84/1082299784.db2.gz OPNMJKYHCIOEBJ-UHFFFAOYSA-N -1 1 368.820 4.190 20 0 FIADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1nc(F)ccc1Br ZINC001266747941 1082613409 /nfs/dbraw/zinc/61/34/09/1082613409.db2.gz QZXLAOTXTUWRGJ-UHFFFAOYSA-N -1 1 365.536 4.167 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC2(CC2)c2ccccc21 ZINC000581551854 1082657638 /nfs/dbraw/zinc/65/76/38/1082657638.db2.gz BNPHQDRFWAQDNX-UHFFFAOYSA-N -1 1 350.805 4.286 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000656769653 1082760759 /nfs/dbraw/zinc/76/07/59/1082760759.db2.gz RYTZVZGRSLHBNK-SJORKVTESA-N -1 1 372.292 4.400 20 0 FIADMM Cc1ccccc1CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077612347 1082790782 /nfs/dbraw/zinc/79/07/82/1082790782.db2.gz RTGDWAUEODIQNP-UHFFFAOYSA-N -1 1 370.449 4.320 20 0 FIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)cc3)s2)o1 ZINC000426773956 1082993573 /nfs/dbraw/zinc/99/35/73/1082993573.db2.gz MBWJCJNUTOVZTK-MRXNPFEDSA-N -1 1 356.447 4.326 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc(F)c(Br)cc1Cl ZINC000684472064 1083034271 /nfs/dbraw/zinc/03/42/71/1083034271.db2.gz ZMMXGJMTBQWBEQ-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000510509615 1083128586 /nfs/dbraw/zinc/12/85/86/1083128586.db2.gz WRDFFQNLSQXKHJ-UHFFFAOYSA-N -1 1 367.776 4.015 20 0 FIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(OCC)c3)c2C1 ZINC000410336122 1083349591 /nfs/dbraw/zinc/34/95/91/1083349591.db2.gz ZYUBKVBYYNLEPN-UHFFFAOYSA-N -1 1 374.506 4.002 20 0 FIADMM O=C(C[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-])c1cccs1 ZINC000092422967 1083403265 /nfs/dbraw/zinc/40/32/65/1083403265.db2.gz SMJWLOWWCBXRPN-INIZCTEOSA-N -1 1 365.454 4.485 20 0 FIADMM Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc([O-])c(Cl)c3)sc21 ZINC000472401858 1083585036 /nfs/dbraw/zinc/58/50/36/1083585036.db2.gz JAKDTFBBHAHWCA-UHFFFAOYSA-N -1 1 357.769 4.184 20 0 FIADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc2[n-]c(=S)oc2c1 ZINC000179837940 1083703518 /nfs/dbraw/zinc/70/35/18/1083703518.db2.gz OHCFNNWVOCIUNA-UHFFFAOYSA-N -1 1 360.345 4.183 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)cc(Cl)c1[O-] ZINC000458262582 1083766081 /nfs/dbraw/zinc/76/60/81/1083766081.db2.gz DOFKIONNGVQMLL-GFCCVEGCSA-N -1 1 365.832 4.287 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(Br)cc3C)no2)c([O-])c1 ZINC000318377823 1083782157 /nfs/dbraw/zinc/78/21/57/1083782157.db2.gz OLLLIPWTKGYCEC-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM CCCC[C@@H](CCC)NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000177282764 1083822926 /nfs/dbraw/zinc/82/29/26/1083822926.db2.gz DGRGUUOCPGXVRO-MRXNPFEDSA-N -1 1 360.527 4.391 20 0 FIADMM O=C(NCCCC1CCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000612717748 1084007274 /nfs/dbraw/zinc/00/72/74/1084007274.db2.gz YVSVFXVXSGQAAP-UHFFFAOYSA-N -1 1 372.509 4.357 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000612796821 1084084191 /nfs/dbraw/zinc/08/41/91/1084084191.db2.gz CWBGHGRGMBHHPN-UHFFFAOYSA-N -1 1 371.289 4.394 20 0 FIADMM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1cc(Cl)ccc1F ZINC000066122936 1084108248 /nfs/dbraw/zinc/10/82/48/1084108248.db2.gz WFNXEQRLFRRCJT-UHFFFAOYSA-N -1 1 365.861 4.234 20 0 FIADMM CC1(C)CCCC[C@@H]1CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124598295 1084213627 /nfs/dbraw/zinc/21/36/27/1084213627.db2.gz QOCAUCLCBCAUGM-GOSISDBHSA-N -1 1 357.494 4.420 20 0 FIADMM CCc1cc2c(CN(CC3CCC3)CC(F)(F)F)cc(=O)oc2cc1[O-] ZINC001167522393 1084439485 /nfs/dbraw/zinc/43/94/85/1084439485.db2.gz ZXKGMVWVTWGIOE-UHFFFAOYSA-N -1 1 369.383 4.225 20 0 FIADMM O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([O-])c(Cl)c1 ZINC000172409425 1084554578 /nfs/dbraw/zinc/55/45/78/1084554578.db2.gz YBMLJIXCBRZMEO-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)c1C ZINC000582084535 1084589447 /nfs/dbraw/zinc/58/94/47/1084589447.db2.gz VCXLOYLBCMGIED-UHFFFAOYSA-N -1 1 357.834 4.214 20 0 FIADMM COc1cc(CN(C)[C@@H](C)c2cc(C(=O)[O-])c(C)o2)ccc1OC(F)F ZINC000563278765 1084748339 /nfs/dbraw/zinc/74/83/39/1084748339.db2.gz VQDJXYIJEDEFGX-JTQLQIEISA-N -1 1 369.364 4.089 20 0 FIADMM Cc1ccccc1OCCCN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000563277089 1084749580 /nfs/dbraw/zinc/74/95/80/1084749580.db2.gz CUWAGRJASWRWTP-GOSISDBHSA-N -1 1 365.832 4.314 20 0 FIADMM Cc1ccc(CS(=O)(=O)[N-]c2cnccc2Oc2ccccc2)cc1 ZINC000582204066 1084766182 /nfs/dbraw/zinc/76/61/82/1084766182.db2.gz DVMHDGXKLSMRCI-UHFFFAOYSA-N -1 1 354.431 4.124 20 0 FIADMM Cc1c(C(=O)NCc2n[n-]c(=S)n2C(C)C)oc2c1c(C)ccc2C ZINC000066640213 1084829380 /nfs/dbraw/zinc/82/93/80/1084829380.db2.gz IFNOOSYGOITWCU-UHFFFAOYSA-N -1 1 358.467 4.123 20 0 FIADMM CCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)s1 ZINC000121783270 1084840106 /nfs/dbraw/zinc/84/01/06/1084840106.db2.gz ZTPJXRURWZBWTE-DOMZBBRYSA-N -1 1 355.463 4.180 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(C)CCCC2)c1 ZINC000066650951 1084864271 /nfs/dbraw/zinc/86/42/71/1084864271.db2.gz HPVCVYNJJULIPA-UHFFFAOYSA-N -1 1 358.511 4.003 20 0 FIADMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cnc(-c2ccco2)s1 ZINC000170893187 1084961699 /nfs/dbraw/zinc/96/16/99/1084961699.db2.gz NETVMMJJFGRPOW-UHFFFAOYSA-N -1 1 371.809 4.094 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000684870346 1084997143 /nfs/dbraw/zinc/99/71/43/1084997143.db2.gz AZYWQOBNFOEJHO-UHFFFAOYSA-N -1 1 363.335 4.046 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c(C)c1 ZINC000511128187 1085022575 /nfs/dbraw/zinc/02/25/75/1085022575.db2.gz ALJXSJGODOUANL-UHFFFAOYSA-N -1 1 372.421 4.431 20 0 FIADMM CCC[C@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431459048 1085207151 /nfs/dbraw/zinc/20/71/51/1085207151.db2.gz SADBJMVIZSVVKB-ZETCQYMHSA-N -1 1 365.065 4.292 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432204305 1085233947 /nfs/dbraw/zinc/23/39/47/1085233947.db2.gz SWJPZIFXSUEMEG-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1Cl ZINC000591797250 1085235365 /nfs/dbraw/zinc/23/53/65/1085235365.db2.gz UITPWRSXEXOLLM-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3nc(C(C)(C)C)cs3)s2)cc1 ZINC001126000440 1085301349 /nfs/dbraw/zinc/30/13/49/1085301349.db2.gz OSDVMAGUTLVNKQ-UHFFFAOYSA-N -1 1 372.519 4.444 20 0 FIADMM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2sccc2Cl)cc1 ZINC001211555432 1085570460 /nfs/dbraw/zinc/57/04/60/1085570460.db2.gz NQVZLYSHBGMCCH-LLVKDONJSA-N -1 1 361.941 4.169 20 0 FIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000078236929 1085654645 /nfs/dbraw/zinc/65/46/45/1085654645.db2.gz RYHGJZIQOQSVTJ-UHFFFAOYSA-N -1 1 360.479 4.052 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](c4ccccc4)[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000078410904 1085749094 /nfs/dbraw/zinc/74/90/94/1085749094.db2.gz HKJPGJAPVOYMTD-FOIQADDNSA-N -1 1 374.488 4.079 20 0 FIADMM O=S(=O)([N-]Cc1cccs1)c1c(Cl)cc(Cl)cc1Cl ZINC000048664758 1085917889 /nfs/dbraw/zinc/91/78/89/1085917889.db2.gz OYMBFATVKDXZKA-UHFFFAOYSA-N -1 1 356.683 4.187 20 0 FIADMM CCc1nc(SCc2ccc(Br)cc2F)[n-]c(=O)c1C ZINC000582975645 1085981335 /nfs/dbraw/zinc/98/13/35/1085981335.db2.gz JQHMRBDNIPUTMR-UHFFFAOYSA-N -1 1 357.248 4.247 20 0 FIADMM COc1cc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)cc(Cl)c1[O-] ZINC000432280732 1086017890 /nfs/dbraw/zinc/01/78/90/1086017890.db2.gz UGIBSUNTKKMBFM-UHFFFAOYSA-N -1 1 358.196 4.119 20 0 FIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(F)c([O-])c(Cl)c3)[nH]c2c1 ZINC000184402275 1086156892 /nfs/dbraw/zinc/15/68/92/1086156892.db2.gz RFSGOCZJMVUUIK-INIZCTEOSA-N -1 1 373.815 4.347 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000549583778 1086286295 /nfs/dbraw/zinc/28/62/95/1086286295.db2.gz BLULBOXYXWOQFM-LSDHHAIUSA-N -1 1 353.809 4.178 20 0 FIADMM CCc1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c(C)o1 ZINC000583220321 1086423743 /nfs/dbraw/zinc/42/37/43/1086423743.db2.gz OXQZFWZGGUHENB-UHFFFAOYSA-N -1 1 354.391 4.062 20 0 FIADMM CC(C)C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)N1CCCCC1=O ZINC000278163719 1086480211 /nfs/dbraw/zinc/48/02/11/1086480211.db2.gz NAXDRWQAIIJTBG-HNNXBMFYSA-N -1 1 363.845 4.195 20 0 FIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176638837 1086532915 /nfs/dbraw/zinc/53/29/15/1086532915.db2.gz XYZNDROAUNKPLS-UHFFFAOYSA-N -1 1 370.430 4.209 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3oc(COC)nc3c2)cc1 ZINC000432359735 1086658332 /nfs/dbraw/zinc/65/83/32/1086658332.db2.gz UJVDNGNSHZXTPM-ZDUSSCGKSA-N -1 1 374.462 4.289 20 0 FIADMM O=S(=O)([N-]c1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000006315947 1086753404 /nfs/dbraw/zinc/75/34/04/1086753404.db2.gz DFTBDIQVBPAYJE-UHFFFAOYSA-N -1 1 362.248 4.403 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(OC(F)(F)F)c1 ZINC000024226619 1086791862 /nfs/dbraw/zinc/79/18/62/1086791862.db2.gz JENGDEGEAKJUBS-UHFFFAOYSA-N -1 1 351.733 4.039 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1csc(-c2ccc(F)cc2)n1 ZINC000600965668 1086855787 /nfs/dbraw/zinc/85/57/87/1086855787.db2.gz SXXHBVRMQSXVQC-UHFFFAOYSA-N -1 1 370.434 4.075 20 0 FIADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000168222769 1086999144 /nfs/dbraw/zinc/99/91/44/1086999144.db2.gz IZGLLTFUTUFOQJ-ZDUSSCGKSA-N -1 1 360.679 4.322 20 0 FIADMM CC(C)(C)OC(=O)Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000545185911 1087095897 /nfs/dbraw/zinc/09/58/97/1087095897.db2.gz HLLCTSLTTGLGBH-UHFFFAOYSA-N -1 1 368.389 4.119 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1-c1ccccc1 ZINC000536190827 1087100920 /nfs/dbraw/zinc/10/09/20/1087100920.db2.gz GVMJYOUNFINSJB-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780380632 1087170504 /nfs/dbraw/zinc/17/05/04/1087170504.db2.gz UFLFQQNRCDMALP-UHFFFAOYSA-N -1 1 355.406 4.350 20 0 FIADMM CC(=O)Nc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1C(F)(F)F ZINC000548827744 1087364638 /nfs/dbraw/zinc/36/46/38/1087364638.db2.gz AIIJTLKWKXAWDD-UHFFFAOYSA-N -1 1 365.286 4.119 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1F ZINC000118076966 1087462394 /nfs/dbraw/zinc/46/23/94/1087462394.db2.gz DJYJPRCNNDDUNK-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM CCc1ccc(C(C)(C)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000431558591 1087523567 /nfs/dbraw/zinc/52/35/67/1087523567.db2.gz SKSYIUZQJUIEOF-UHFFFAOYSA-N -1 1 369.509 4.058 20 0 FIADMM CCc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC000631463200 1087527571 /nfs/dbraw/zinc/52/75/71/1087527571.db2.gz AXIFZSGQASWKIB-NSHDSACASA-N -1 1 352.887 4.135 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000685423109 1087564804 /nfs/dbraw/zinc/56/48/04/1087564804.db2.gz ZFTOYFYJEZXNIA-UHFFFAOYSA-N -1 1 362.763 4.004 20 0 FIADMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000031722685 1087987236 /nfs/dbraw/zinc/98/72/36/1087987236.db2.gz CSMHTKODUDFZIV-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM CCOc1cc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cc(Cl)c1[O-] ZINC000186834204 1088002137 /nfs/dbraw/zinc/00/21/37/1088002137.db2.gz IFGNRVVMGJPTHO-SNVBAGLBSA-N -1 1 365.788 4.011 20 0 FIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)no3)c2)cc1 ZINC000504987101 1088036139 /nfs/dbraw/zinc/03/61/39/1088036139.db2.gz SWQRNAMPKOCQHE-UHFFFAOYSA-N -1 1 371.462 4.188 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000025365530 1088323809 /nfs/dbraw/zinc/32/38/09/1088323809.db2.gz ASUIIAIJBSTUPE-UHFFFAOYSA-N -1 1 365.760 4.348 20 0 FIADMM CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000434235571 1088417444 /nfs/dbraw/zinc/41/74/44/1088417444.db2.gz PCDSKYYDASBKSR-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1ccc([O-])cc1F ZINC000181896670 1088862623 /nfs/dbraw/zinc/86/26/23/1088862623.db2.gz XNDZUAPAPWAWPT-UHFFFAOYSA-N -1 1 374.375 4.236 20 0 FIADMM CCN(Cc1nc(C(=O)[O-])cs1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000659804031 1088895330 /nfs/dbraw/zinc/89/53/30/1088895330.db2.gz SMDUMTDSPCLZSD-LLVKDONJSA-N -1 1 372.412 4.313 20 0 FIADMM O=c1cc(C2CC2)nc(SCc2nnc(-c3ccccc3Cl)o2)[n-]1 ZINC000188143326 1088903183 /nfs/dbraw/zinc/90/31/83/1088903183.db2.gz YOZYBKCGMOFZSM-UHFFFAOYSA-N -1 1 360.826 4.055 20 0 FIADMM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cc(Cl)sc1Cl ZINC000514539931 1089181870 /nfs/dbraw/zinc/18/18/70/1089181870.db2.gz ADQNJNIORWCLLF-UHFFFAOYSA-N -1 1 362.712 4.248 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000613668035 1089271373 /nfs/dbraw/zinc/27/13/73/1089271373.db2.gz PHWRWSAVYLXGPO-UHFFFAOYSA-N -1 1 363.417 4.356 20 0 FIADMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1)C1CC1 ZINC000514711378 1089401538 /nfs/dbraw/zinc/40/15/38/1089401538.db2.gz JIWSPKFKXPXUAT-UHFFFAOYSA-N -1 1 372.490 4.126 20 0 FIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)c2)n1 ZINC000460456468 1089438786 /nfs/dbraw/zinc/43/87/86/1089438786.db2.gz SRRDFHWLAKQHCV-UHFFFAOYSA-N -1 1 369.490 4.413 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@H]3C3CC3)n2)cc(Br)c1[O-] ZINC000514773360 1089456354 /nfs/dbraw/zinc/45/63/54/1089456354.db2.gz VXFHKCBLEBAVOX-WDEREUQCSA-N -1 1 365.227 4.117 20 0 FIADMM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2c(F)cccc2F)n1 ZINC000514800968 1089485862 /nfs/dbraw/zinc/48/58/62/1089485862.db2.gz UNCHCGHHQCVBSX-UHFFFAOYSA-N -1 1 364.402 4.070 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nccs1 ZINC000435440107 1089663534 /nfs/dbraw/zinc/66/35/34/1089663534.db2.gz ZMAJEIBVDOTRDD-SNVBAGLBSA-N -1 1 369.270 4.019 20 0 FIADMM C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069000 1089753378 /nfs/dbraw/zinc/75/33/78/1089753378.db2.gz WKTZOXLVIGLXMR-AUUYWEPGSA-N -1 1 355.434 4.145 20 0 FIADMM C[C@@H]1C[C@H]1c1ccc(CN(CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069000 1089753385 /nfs/dbraw/zinc/75/33/85/1089753385.db2.gz WKTZOXLVIGLXMR-AUUYWEPGSA-N -1 1 355.434 4.145 20 0 FIADMM CC(C)COc1ncc(C(=O)Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001625894035 1089963986 /nfs/dbraw/zinc/96/39/86/1089963986.db2.gz PFQCGDNDAGGNTR-UHFFFAOYSA-N -1 1 356.756 4.006 20 0 FIADMM Cc1noc(C)c1COc1ccccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894017 1089964258 /nfs/dbraw/zinc/96/42/58/1089964258.db2.gz OKYVKTLDHWARAY-UHFFFAOYSA-N -1 1 374.343 4.107 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000460829625 1090006067 /nfs/dbraw/zinc/00/60/67/1090006067.db2.gz JEPJNZQLDDVBLM-UHFFFAOYSA-N -1 1 355.463 4.175 20 0 FIADMM O=C(C/C=C/c1ccc(Br)cc1)Nc1cc([O-])c(F)cc1F ZINC001625896223 1090611418 /nfs/dbraw/zinc/61/14/18/1090611418.db2.gz ISHBCQWXCUAGQO-OWOJBTEDSA-N -1 1 368.177 4.475 20 0 FIADMM CCOc1cc(C(=O)N2CCC(c3ccc(C)nc3)CC2)cc(Cl)c1[O-] ZINC000364004398 1090640159 /nfs/dbraw/zinc/64/01/59/1090640159.db2.gz AVFRQMJEVRXYQJ-UHFFFAOYSA-N -1 1 374.868 4.168 20 0 FIADMM O=C([O-])C[C@@H](NCc1cnc(C(F)(F)F)s1)c1cccc(Cl)c1 ZINC000417556116 1090924391 /nfs/dbraw/zinc/92/43/91/1090924391.db2.gz NLRQKZXYWQMXNT-LLVKDONJSA-N -1 1 364.776 4.121 20 0 FIADMM Cc1nn(C(C)C)cc1CN[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000417571683 1090926182 /nfs/dbraw/zinc/92/61/82/1090926182.db2.gz XQJFBFVJQHJJPT-INIZCTEOSA-N -1 1 370.280 4.385 20 0 FIADMM CC(C)(C)n1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000417565437 1090928815 /nfs/dbraw/zinc/92/88/15/1090928815.db2.gz PMJXNXLDOPAWSM-OAHLLOKOSA-N -1 1 370.280 4.251 20 0 FIADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2cnc(C(F)(F)F)s2)c1C ZINC000417575433 1090933311 /nfs/dbraw/zinc/93/33/11/1090933311.db2.gz SPFIRENSEWVISP-CYBMUJFWSA-N -1 1 358.385 4.084 20 0 FIADMM CC(C)(C)OC[C@H](NCc1ccc(-c2cccc(Cl)c2)s1)C(=O)[O-] ZINC000417589551 1090934589 /nfs/dbraw/zinc/93/45/89/1090934589.db2.gz DQQFMGVEKNIAKE-HNNXBMFYSA-N -1 1 367.898 4.426 20 0 FIADMM Cc1ncsc1CN[C@H](CSCc1cccc2ccccc21)C(=O)[O-] ZINC000417624013 1090942596 /nfs/dbraw/zinc/94/25/96/1090942596.db2.gz ODYSAPHFXFFJEV-QGZVFWFLSA-N -1 1 372.515 4.081 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H](NCc2cc(Cl)ccc2OC(F)F)c2ccccc21 ZINC000417624782 1090947511 /nfs/dbraw/zinc/94/75/11/1090947511.db2.gz LBKUZTHWRMAPOO-HUUCEWRRSA-N -1 1 367.779 4.344 20 0 FIADMM O=S(=O)([N-]CC1CCSCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000500120519 1091051849 /nfs/dbraw/zinc/05/18/49/1091051849.db2.gz HQCSYFHIFHVZNV-UHFFFAOYSA-N -1 1 374.742 4.068 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)sc1Cl ZINC000193826899 1091323475 /nfs/dbraw/zinc/32/34/75/1091323475.db2.gz CDODAORGUUDZMN-UHFFFAOYSA-N -1 1 367.235 4.072 20 0 FIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccc(Cl)c3F)cc21 ZINC000432081684 1091612446 /nfs/dbraw/zinc/61/24/46/1091612446.db2.gz RLAPXVPEWVTQRI-UHFFFAOYSA-N -1 1 374.220 4.062 20 0 FIADMM CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000050808630 1091778324 /nfs/dbraw/zinc/77/83/24/1091778324.db2.gz VETWICJDPZDULY-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM CC[C@@H](Sc1nc(C(=O)OC)c[n-]1)c1ccc(Br)cc1 ZINC000432665720 1092041821 /nfs/dbraw/zinc/04/18/21/1092041821.db2.gz IJVJRWWGNBFYSF-GFCCVEGCSA-N -1 1 355.257 4.202 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cc(F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000432707684 1092163844 /nfs/dbraw/zinc/16/38/44/1092163844.db2.gz NYTIPHVANYJEPJ-WTKPLQERSA-N -1 1 370.302 4.077 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1Cl ZINC000432772459 1092313173 /nfs/dbraw/zinc/31/31/73/1092313173.db2.gz USDYEBQMXQXMGF-UHFFFAOYSA-N -1 1 368.867 4.068 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1OC ZINC000520916403 1092365605 /nfs/dbraw/zinc/36/56/05/1092365605.db2.gz DABYZQFFEYCLDH-UHFFFAOYSA-N -1 1 363.479 4.093 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(Cl)cc1F ZINC000442246766 1092520860 /nfs/dbraw/zinc/52/08/60/1092520860.db2.gz YUYHUSAIMIGDHO-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)Cc3ccc(C(F)(F)F)cc3)[nH][n-]2)s1 ZINC000500855889 1092643924 /nfs/dbraw/zinc/64/39/24/1092643924.db2.gz GHAGRGXQTDUYHY-UHFFFAOYSA-N -1 1 365.380 4.069 20 0 FIADMM COC(=O)c1cc(Br)c([O-])c(Nc2cc(C)cc(OC)c2)c1 ZINC001211730192 1092664250 /nfs/dbraw/zinc/66/42/50/1092664250.db2.gz NSWOJUZBPNXBIO-UHFFFAOYSA-N -1 1 366.211 4.002 20 0 FIADMM COc1cc(C(=O)Nc2ccc(C)c(Br)c2)cc(Cl)c1[O-] ZINC000442829915 1092795283 /nfs/dbraw/zinc/79/52/83/1092795283.db2.gz QOEYVRCQNRFSJQ-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc(Cl)c1[O-] ZINC000442864079 1092808181 /nfs/dbraw/zinc/80/81/81/1092808181.db2.gz BOPGEXLHUJWBDK-LBPRGKRZSA-N -1 1 363.841 4.332 20 0 FIADMM CC(C)n1c(CNC(=O)C=Cc2ccc(C(C)(C)C)cc2)n[n-]c1=S ZINC000067072334 1092809526 /nfs/dbraw/zinc/80/95/26/1092809526.db2.gz GRSZQFTUANVJDC-DHZHZOJOSA-N -1 1 358.511 4.149 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Cl)c(F)c1Cl ZINC000473401274 1092811425 /nfs/dbraw/zinc/81/14/25/1092811425.db2.gz AZXFNHZUOWICRK-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H]2c2ccc(C)s2)cc(Cl)c1[O-] ZINC000442976627 1092883703 /nfs/dbraw/zinc/88/37/03/1092883703.db2.gz MVHRFNQHZCDLIA-ZDUSSCGKSA-N -1 1 351.855 4.401 20 0 FIADMM COc1cc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000442967401 1092894086 /nfs/dbraw/zinc/89/40/86/1092894086.db2.gz NKFRYUIEANGKRA-FQEVSTJZSA-N -1 1 359.853 4.248 20 0 FIADMM COc1cc(C(=O)N(C)CCc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000442980951 1092904922 /nfs/dbraw/zinc/90/49/22/1092904922.db2.gz SPDLRYVEKCEALD-UHFFFAOYSA-N -1 1 354.233 4.022 20 0 FIADMM COc1cc(C(=O)NCC2(c3ccccc3Cl)CC2)cc(Cl)c1[O-] ZINC000443056053 1092929685 /nfs/dbraw/zinc/92/96/85/1092929685.db2.gz XXEWBHXUCTZLGZ-UHFFFAOYSA-N -1 1 366.244 4.169 20 0 FIADMM COc1cc(-c2nc(-c3ccc(Br)o3)no2)cc(Cl)c1[O-] ZINC000443101077 1092941844 /nfs/dbraw/zinc/94/18/44/1092941844.db2.gz HLRULLWTQUASEV-UHFFFAOYSA-N -1 1 371.574 4.127 20 0 FIADMM COc1cc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)cc(Cl)c1[O-] ZINC000443104093 1092943273 /nfs/dbraw/zinc/94/32/73/1092943273.db2.gz DBPDVSNYUJORGD-UHFFFAOYSA-N -1 1 365.861 4.282 20 0 FIADMM Cc1cccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)c1 ZINC000614113308 1092947707 /nfs/dbraw/zinc/94/77/07/1092947707.db2.gz NBTROCZVWAOGMP-UHFFFAOYSA-N -1 1 362.410 4.356 20 0 FIADMM COc1cc(-c2nc(Cc3c[nH]c4cccc(C)c34)no2)cc(Cl)c1[O-] ZINC000443204150 1092989820 /nfs/dbraw/zinc/98/98/20/1092989820.db2.gz OBUGMSWYMNIBJM-UHFFFAOYSA-N -1 1 369.808 4.485 20 0 FIADMM COc1cc(-c2nc(-c3ccc(NC(C)(C)C)cn3)no2)cc(Cl)c1[O-] ZINC000443204841 1092990748 /nfs/dbraw/zinc/99/07/48/1092990748.db2.gz QKIQALLLFMKURL-UHFFFAOYSA-N -1 1 374.828 4.377 20 0 FIADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2coc(C(C)(C)C)n2)s1 ZINC001271107966 1093014784 /nfs/dbraw/zinc/01/47/84/1093014784.db2.gz DMQXWSNGWMWRIW-UHFFFAOYSA-N -1 1 360.414 4.190 20 0 FIADMM COc1cc(C(=O)Nc2c(F)cccc2NC2CC2)cc(Cl)c1[O-] ZINC000443300612 1093034030 /nfs/dbraw/zinc/03/40/30/1093034030.db2.gz ALZRCLRECBLHLD-UHFFFAOYSA-N -1 1 350.777 4.020 20 0 FIADMM COc1cc(C(=O)Nc2ccc(F)cc2OC(F)F)cc(Cl)c1[O-] ZINC000443303262 1093041903 /nfs/dbraw/zinc/04/19/03/1093041903.db2.gz RFHWLGGJILCLJM-UHFFFAOYSA-N -1 1 361.703 4.047 20 0 FIADMM Cc1cccc(Cc2cnc(NC(=O)c3cncc([O-])c3)s2)c1Cl ZINC000522050021 1093055437 /nfs/dbraw/zinc/05/54/37/1093055437.db2.gz ZAVFPUFKTWNJHU-UHFFFAOYSA-N -1 1 359.838 4.049 20 0 FIADMM COc1cc(C(=O)NCc2cccc(OCC(C)C)c2)cc(Cl)c1[O-] ZINC000443338637 1093063217 /nfs/dbraw/zinc/06/32/17/1093063217.db2.gz AZLPCLWRGBJPDT-UHFFFAOYSA-N -1 1 363.841 4.019 20 0 FIADMM CCc1c(C)[n-]n(-c2nc(C)nc3sc(-c4ccccc4)cc32)c1=O ZINC000614185455 1093095547 /nfs/dbraw/zinc/09/55/47/1093095547.db2.gz MLLXWKVKGQFYGZ-CQSZACIVSA-N -1 1 350.447 4.415 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c(C)c1 ZINC000443399837 1093103504 /nfs/dbraw/zinc/10/35/04/1093103504.db2.gz OQNZQMVHFXRUPV-UHFFFAOYSA-N -1 1 374.487 4.236 20 0 FIADMM [O-]c1cccc(CN[C@@H]2COc3cc(F)c(Br)cc32)c1Cl ZINC000645177987 1093370074 /nfs/dbraw/zinc/37/00/74/1093370074.db2.gz VLCZTACEBLNCEI-GFCCVEGCSA-N -1 1 372.621 4.171 20 0 FIADMM [O-]c1cccc(CNc2ccc(F)cc2OC2CCOCC2)c1Cl ZINC000645180896 1093373107 /nfs/dbraw/zinc/37/31/07/1093373107.db2.gz WHKBIEUHGDPFRZ-UHFFFAOYSA-N -1 1 351.805 4.355 20 0 FIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)ccc12 ZINC000473485016 1093491987 /nfs/dbraw/zinc/49/19/87/1093491987.db2.gz VFHMAJZTEBWBMX-UHFFFAOYSA-N -1 1 374.224 4.118 20 0 FIADMM Cc1ccc(-c2csc([N-]C(=O)c3noc(-c4ccccc4)n3)n2)s1 ZINC000433348345 1093612182 /nfs/dbraw/zinc/61/21/82/1093612182.db2.gz USLGQIMVZNIYDP-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000474255053 1093620795 /nfs/dbraw/zinc/62/07/95/1093620795.db2.gz XDEAFEWLDVPZQR-UHFFFAOYSA-N -1 1 360.414 4.488 20 0 FIADMM COc1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)c([O-])c1 ZINC000327323866 1093646019 /nfs/dbraw/zinc/64/60/19/1093646019.db2.gz KVMODGKASAIFNT-UHFFFAOYSA-N -1 1 350.296 4.060 20 0 FIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1cc(Cl)sc1Cl ZINC000433444712 1093704143 /nfs/dbraw/zinc/70/41/43/1093704143.db2.gz VOGKOVZCORHHLD-VHSXEESVSA-N -1 1 366.266 4.028 20 0 FIADMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(Cl)cc1 ZINC000115073863 1093759770 /nfs/dbraw/zinc/75/97/70/1093759770.db2.gz UPRZVSCXPJBQSK-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000327463033 1093767728 /nfs/dbraw/zinc/76/77/28/1093767728.db2.gz RLISAJMAPAOXJX-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1cc(Cl)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c(Cl)c1 ZINC001167935006 1093931930 /nfs/dbraw/zinc/93/19/30/1093931930.db2.gz NFKPLPHKRZXMBN-UHFFFAOYSA-N -1 1 372.188 4.387 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1cc(Br)sc1Cl ZINC000433619327 1094015093 /nfs/dbraw/zinc/01/50/93/1094015093.db2.gz VTIKJONFYKAUSP-UHFFFAOYSA-N -1 1 370.652 4.104 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1 ZINC000513374790 1094090887 /nfs/dbraw/zinc/09/08/87/1094090887.db2.gz ADCSJAVGSAKGIA-UHFFFAOYSA-N -1 1 359.419 4.119 20 0 FIADMM [O-]c1cccc(CN(CCc2ccccn2)Cc2cccnc2)c1Cl ZINC000513421838 1094109807 /nfs/dbraw/zinc/10/98/07/1094109807.db2.gz ZVFBSKVEKQHSOY-UHFFFAOYSA-N -1 1 353.853 4.081 20 0 FIADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccccc1C ZINC000474517006 1094283887 /nfs/dbraw/zinc/28/38/87/1094283887.db2.gz RULMIPLIDGBAOE-UHFFFAOYSA-N -1 1 355.825 4.354 20 0 FIADMM COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c([O-])c1 ZINC001141885295 1094515505 /nfs/dbraw/zinc/51/55/05/1094515505.db2.gz DAYZTFCHFDADCH-UHFFFAOYSA-N -1 1 354.431 4.393 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CC12CCCC2 ZINC000474713746 1094537141 /nfs/dbraw/zinc/53/71/41/1094537141.db2.gz OCXIYMNHFPOQIR-SFHVURJKSA-N -1 1 370.474 4.006 20 0 FIADMM CC1(C)CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000513719316 1094851294 /nfs/dbraw/zinc/85/12/94/1094851294.db2.gz BEXUHDLWYVNXPX-HNNXBMFYSA-N -1 1 372.490 4.252 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c1 ZINC000522528850 1095111053 /nfs/dbraw/zinc/11/10/53/1095111053.db2.gz RWSNBBOCDPSMLP-UHFFFAOYSA-N -1 1 373.474 4.402 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000522598462 1095173815 /nfs/dbraw/zinc/17/38/15/1095173815.db2.gz DTIOAHJRYHZOLD-UHFFFAOYSA-N -1 1 360.262 4.331 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000502686407 1095715281 /nfs/dbraw/zinc/71/52/81/1095715281.db2.gz JXPGUPLZOPYBNP-IPOQPSJVSA-N -1 1 363.417 4.241 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000444244534 1095900521 /nfs/dbraw/zinc/90/05/21/1095900521.db2.gz IKPIFJMVKPZHGB-UHFFFAOYSA-N -1 1 353.765 4.434 20 0 FIADMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000444242610 1095902668 /nfs/dbraw/zinc/90/26/68/1095902668.db2.gz GFQUOZAKABFSMW-UHFFFAOYSA-N -1 1 367.788 4.235 20 0 FIADMM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1sccc1Br ZINC000042351115 1095954020 /nfs/dbraw/zinc/95/40/20/1095954020.db2.gz PJOQHUHTKKLMHH-SNVBAGLBSA-N -1 1 354.335 4.005 20 0 FIADMM COC(=O)c1ccccc1-c1ccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC000414647398 1096331262 /nfs/dbraw/zinc/33/12/62/1096331262.db2.gz CBVIYNIYPNRYGC-KRWDZBQOSA-N -1 1 373.449 4.102 20 0 FIADMM COC(=O)c1ccc(-c2ccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])o2)cc1 ZINC000414670842 1096410098 /nfs/dbraw/zinc/41/00/98/1096410098.db2.gz ZWFAKYDYMWTWPU-KRWDZBQOSA-N -1 1 373.449 4.102 20 0 FIADMM CCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000032064864 1096505904 /nfs/dbraw/zinc/50/59/04/1096505904.db2.gz ZIXFIARCWSRBFB-INIZCTEOSA-N -1 1 374.506 4.056 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2OC2CC2)c1 ZINC000503867924 1096572396 /nfs/dbraw/zinc/57/23/96/1096572396.db2.gz DIDRSSLCOWHRBQ-UHFFFAOYSA-N -1 1 362.223 4.257 20 0 FIADMM CCOc1cc(C(=O)Nc2cc(OC)cc(OC)c2C)cc(Cl)c1[O-] ZINC000504260150 1096726785 /nfs/dbraw/zinc/72/67/85/1096726785.db2.gz BISQNUWLCHTNAA-UHFFFAOYSA-N -1 1 365.813 4.022 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCC)cc2)c1 ZINC000515633358 1098780702 /nfs/dbraw/zinc/78/07/02/1098780702.db2.gz CNJZDTCFIFZPNY-UHFFFAOYSA-N -1 1 360.479 4.179 20 0 FIADMM Cc1cc(Cl)ccc1NC(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000436254296 1098867609 /nfs/dbraw/zinc/86/76/09/1098867609.db2.gz RWZOGWNFLQRNSJ-JTQLQIEISA-N -1 1 363.870 4.141 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CCC)c2C)cc1 ZINC000436476577 1099051599 /nfs/dbraw/zinc/05/15/99/1099051599.db2.gz JKMWMLDSAQKVSU-UHFFFAOYSA-N -1 1 358.463 4.177 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000436515276 1099074538 /nfs/dbraw/zinc/07/45/38/1099074538.db2.gz RZYGCFLDZIOWDX-UHFFFAOYSA-N -1 1 373.714 4.103 20 0 FIADMM CCOc1ccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1Cl ZINC000436522524 1099078583 /nfs/dbraw/zinc/07/85/83/1099078583.db2.gz MAMCYKUONWNWFL-UHFFFAOYSA-N -1 1 373.796 4.120 20 0 FIADMM Cc1c(NC(=O)c2ccc(C(C)C)cc2[O-])cccc1C(=O)N1CCCC1 ZINC000436537113 1099103045 /nfs/dbraw/zinc/10/30/45/1099103045.db2.gz FTXBJAPNNZNESJ-UHFFFAOYSA-N -1 1 366.461 4.312 20 0 FIADMM COc1cccc(C2=CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)c1 ZINC000436540253 1099105364 /nfs/dbraw/zinc/10/53/64/1099105364.db2.gz OUUOYEAUPJEKEF-UHFFFAOYSA-N -1 1 359.425 4.484 20 0 FIADMM CN1CCCN(C(=O)c2ccc3ccccc3c2[O-])c2cc(F)ccc21 ZINC000436561345 1099114639 /nfs/dbraw/zinc/11/46/39/1099114639.db2.gz GCQGFRLKYCLFML-UHFFFAOYSA-N -1 1 350.393 4.171 20 0 FIADMM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(Br)cc1[O-] ZINC000436571174 1099121180 /nfs/dbraw/zinc/12/11/80/1099121180.db2.gz AJJYCGVSKWIMMU-UHFFFAOYSA-N -1 1 360.207 4.173 20 0 FIADMM O=C(NCc1csc(-c2ccco2)n1)c1ccc2ccccc2c1[O-] ZINC000436596487 1099126645 /nfs/dbraw/zinc/12/66/45/1099126645.db2.gz MKIFLXPVZXOWKJ-UHFFFAOYSA-N -1 1 350.399 4.192 20 0 FIADMM Cc1nc(NC(=O)c2ccc([O-])cc2F)sc1Cc1cccc(F)c1 ZINC000436600393 1099138589 /nfs/dbraw/zinc/13/85/89/1099138589.db2.gz HJAOKYNRXCDRBW-UHFFFAOYSA-N -1 1 360.385 4.278 20 0 FIADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436627455 1099155661 /nfs/dbraw/zinc/15/56/61/1099155661.db2.gz TVDRPBSBOJMPMI-CYBMUJFWSA-N -1 1 360.251 4.093 20 0 FIADMM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436632140 1099162306 /nfs/dbraw/zinc/16/23/06/1099162306.db2.gz YGUGFPZJZCCAQZ-QGZVFWFLSA-N -1 1 369.852 4.393 20 0 FIADMM COc1cc(-c2noc([C@@H]3CC[C@@H](C)C3)n2)cc(Br)c1[O-] ZINC000445394264 1099176372 /nfs/dbraw/zinc/17/63/72/1099176372.db2.gz RVMNKWUXUGIWKG-RKDXNWHRSA-N -1 1 353.216 4.117 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000436654793 1099177770 /nfs/dbraw/zinc/17/77/70/1099177770.db2.gz JGESJEVHPOSFAK-UHFFFAOYSA-N -1 1 360.335 4.022 20 0 FIADMM CCC(=O)c1ccc([O-])c(NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)c1 ZINC000436646897 1099186767 /nfs/dbraw/zinc/18/67/67/1099186767.db2.gz BEWZUKJDPQSZOJ-UHFFFAOYSA-N -1 1 363.417 4.244 20 0 FIADMM O=C(Nc1cccc(-c2ncco2)c1)c1cc(Br)ccc1[O-] ZINC000436663129 1099192612 /nfs/dbraw/zinc/19/26/12/1099192612.db2.gz KXSGKTGUSDEJHW-UHFFFAOYSA-N -1 1 359.179 4.062 20 0 FIADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1cc(F)cc(Br)c1 ZINC000436679735 1099213280 /nfs/dbraw/zinc/21/32/80/1099213280.db2.gz HBRZVNGYHGJVIW-OAHLLOKOSA-N -1 1 370.193 4.314 20 0 FIADMM O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000436689472 1099223126 /nfs/dbraw/zinc/22/31/26/1099223126.db2.gz OCIKFVZIPCYPRH-ICSRJNTNSA-N -1 1 369.367 4.084 20 0 FIADMM CSc1cc2c(cc1[N-]C(=O)c1cc(-c3cccs3)on1)OCCO2 ZINC000505871588 1099253761 /nfs/dbraw/zinc/25/37/61/1099253761.db2.gz LGKFHLZQZGAQDJ-UHFFFAOYSA-N -1 1 374.443 4.149 20 0 FIADMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436736338 1099258115 /nfs/dbraw/zinc/25/81/15/1099258115.db2.gz GKTUAQIPOROYRU-OAHLLOKOSA-N -1 1 363.841 4.286 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc2ccccc2n1C(F)F ZINC000436759554 1099275721 /nfs/dbraw/zinc/27/57/21/1099275721.db2.gz ZYLLMCKQSHGGGL-SECBINFHSA-N -1 1 365.767 4.281 20 0 FIADMM CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762804 1099276944 /nfs/dbraw/zinc/27/69/44/1099276944.db2.gz HNUROLYZYSRLDW-UHFFFAOYSA-N -1 1 371.330 4.091 20 0 FIADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436752108 1099287161 /nfs/dbraw/zinc/28/71/61/1099287161.db2.gz PQWCFHQBNXBHRJ-ZDUSSCGKSA-N -1 1 351.368 4.423 20 0 FIADMM CCN(Cc1c(F)cccc1F)C(=O)c1cc(Br)ccc1[O-] ZINC000436774410 1099294997 /nfs/dbraw/zinc/29/49/97/1099294997.db2.gz BAVZGXNWVUQRTC-UHFFFAOYSA-N -1 1 370.193 4.095 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccc(F)cc1)C1CC1 ZINC000436764867 1099303838 /nfs/dbraw/zinc/30/38/38/1099303838.db2.gz UOARHZMOFPYZPO-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM CCOc1cc(-c2noc(-c3ncccc3Cl)n2)cc(Cl)c1[O-] ZINC000436784919 1099316319 /nfs/dbraw/zinc/31/63/19/1099316319.db2.gz SGMHEVRAOIHIGV-UHFFFAOYSA-N -1 1 352.177 4.210 20 0 FIADMM CCCN(CCc1cccs1)C(=O)c1ccc(Br)cc1[O-] ZINC000436805951 1099332648 /nfs/dbraw/zinc/33/26/48/1099332648.db2.gz UGNSFFWIKKJEJR-UHFFFAOYSA-N -1 1 368.296 4.311 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000436821948 1099348696 /nfs/dbraw/zinc/34/86/96/1099348696.db2.gz NBAMJERFVGSEKN-JTQLQIEISA-N -1 1 371.305 4.319 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1OCCc2sccc21 ZINC000436824621 1099350857 /nfs/dbraw/zinc/35/08/57/1099350857.db2.gz HXRDEZAFFNMCKF-BLVKFPJESA-N -1 1 353.443 4.039 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000436854361 1099356754 /nfs/dbraw/zinc/35/67/54/1099356754.db2.gz RYBADLQLRLSESC-CQSZACIVSA-N -1 1 360.251 4.175 20 0 FIADMM COc1ccc2cc(CN(C)C(=O)c3ccc(Cl)cc3[O-])ccc2c1 ZINC000436838967 1099358444 /nfs/dbraw/zinc/35/84/44/1099358444.db2.gz KMBLSUZSRSUMQH-UHFFFAOYSA-N -1 1 355.821 4.480 20 0 FIADMM CCc1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cnn1-c1ccccc1 ZINC000436838638 1099359359 /nfs/dbraw/zinc/35/93/59/1099359359.db2.gz KBUSAOMYAYATCV-UHFFFAOYSA-N -1 1 371.824 4.055 20 0 FIADMM CCOc1cc(-c2noc(C3(OCC)CCCC3)n2)cc(Cl)c1[O-] ZINC000436871867 1099382920 /nfs/dbraw/zinc/38/29/20/1099382920.db2.gz LMJMHGDLTXDGJG-UHFFFAOYSA-N -1 1 352.818 4.300 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000436873181 1099385359 /nfs/dbraw/zinc/38/53/59/1099385359.db2.gz VKYALIYIQPHAKI-INIZCTEOSA-N -1 1 367.470 4.428 20 0 FIADMM C[C@H](Cn1ncc2ccccc21)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436874339 1099385463 /nfs/dbraw/zinc/38/54/63/1099385463.db2.gz TUIDXWOBLQCCBW-LLVKDONJSA-N -1 1 354.797 4.249 20 0 FIADMM CCOc1cc(-c2noc(COc3ccsc3)n2)cc(Cl)c1[O-] ZINC000436875175 1099386848 /nfs/dbraw/zinc/38/68/48/1099386848.db2.gz XCUZRAVOCKEEHB-UHFFFAOYSA-N -1 1 352.799 4.135 20 0 FIADMM CC[C@@H](C)CCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436877277 1099389061 /nfs/dbraw/zinc/38/90/61/1099389061.db2.gz FQSPIAMEFKXMEO-SECBINFHSA-N -1 1 355.232 4.192 20 0 FIADMM CCOc1cc(-c2noc(CCCC3CCOCC3)n2)cc(Cl)c1[O-] ZINC000436879221 1099393945 /nfs/dbraw/zinc/39/39/45/1099393945.db2.gz WKLIWDLMFQPHAN-UHFFFAOYSA-N -1 1 366.845 4.244 20 0 FIADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)c2ccccc21 ZINC000436908030 1099416962 /nfs/dbraw/zinc/41/69/62/1099416962.db2.gz LSHZRPJREKEDLW-GFCCVEGCSA-N -1 1 353.805 4.259 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2Br)[C@@H]2CCC[C@H]21 ZINC000629374936 1099421009 /nfs/dbraw/zinc/42/10/09/1099421009.db2.gz XENIMPMUJYRCIK-GZBFAFLISA-N -1 1 372.690 4.178 20 0 FIADMM Cc1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)ccc1Cl ZINC000436918530 1099435232 /nfs/dbraw/zinc/43/52/32/1099435232.db2.gz IWVQRSOLMCSECM-UHFFFAOYSA-N -1 1 363.204 4.045 20 0 FIADMM Cc1cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)ccc1Cl ZINC000436918530 1099435244 /nfs/dbraw/zinc/43/52/44/1099435244.db2.gz IWVQRSOLMCSECM-UHFFFAOYSA-N -1 1 363.204 4.045 20 0 FIADMM CSCc1ccccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000436920812 1099436098 /nfs/dbraw/zinc/43/60/98/1099436098.db2.gz AQZGPKHCIVNMRZ-UHFFFAOYSA-N -1 1 352.253 4.270 20 0 FIADMM CO[C@H](c1noc(-c2ccc3ccccc3c2[O-])n1)c1ccc(F)cc1 ZINC000436950252 1099444578 /nfs/dbraw/zinc/44/45/78/1099444578.db2.gz BFSGDKPLXLEJAC-SFHVURJKSA-N -1 1 350.349 4.470 20 0 FIADMM COc1ccc(-c2nc(Cc3cc(Cl)ccc3Cl)no2)c([O-])c1 ZINC000436934309 1099446505 /nfs/dbraw/zinc/44/65/05/1099446505.db2.gz XFPNSPGXPFJGDD-UHFFFAOYSA-N -1 1 351.189 4.348 20 0 FIADMM Cc1cc(-c2noc(-c3ccc4ccccc4c3[O-])n2)ccc1-n1cncn1 ZINC000436936292 1099447666 /nfs/dbraw/zinc/44/76/66/1099447666.db2.gz ARLXBRJGHIHAKS-UHFFFAOYSA-N -1 1 369.384 4.152 20 0 FIADMM CC(C)c1ccc(C(=O)N2CCc3ccc(Br)cc32)c([O-])c1 ZINC000436944769 1099457130 /nfs/dbraw/zinc/45/71/30/1099457130.db2.gz RIMMFIAFIBRRDT-UHFFFAOYSA-N -1 1 360.251 4.481 20 0 FIADMM O=C(Nc1ccc(Cl)c(F)c1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436953578 1099471301 /nfs/dbraw/zinc/47/13/01/1099471301.db2.gz AAMDEQZFBCZGDX-UHFFFAOYSA-N -1 1 368.151 4.140 20 0 FIADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc(Cl)ccc1[O-] ZINC000436990775 1099494898 /nfs/dbraw/zinc/49/48/98/1099494898.db2.gz PVIPDKHWJDOEOU-UHFFFAOYSA-N -1 1 354.793 4.163 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 ZINC000029997812 1099502576 /nfs/dbraw/zinc/50/25/76/1099502576.db2.gz FZMWVTBCHHTUFB-RDJZCZTQSA-N -1 1 372.538 4.343 20 0 FIADMM O=C(NC1CC1)c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000437002493 1099508515 /nfs/dbraw/zinc/50/85/15/1099508515.db2.gz YDSWBAWBJWNNTC-UHFFFAOYSA-N -1 1 371.396 4.155 20 0 FIADMM [O-]c1c(F)cc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1F ZINC000093760402 1099613640 /nfs/dbraw/zinc/61/36/40/1099613640.db2.gz QRCPQFTYCCILTE-INIZCTEOSA-N -1 1 373.321 4.263 20 0 FIADMM Cc1nc(-c2ccc(N(C)C[C@@H]3CCc4ccccc43)nc2)[n-]c(=O)c1C ZINC000664614894 1099706731 /nfs/dbraw/zinc/70/67/31/1099706731.db2.gz DITZHFPZQWMWEN-SFHVURJKSA-N -1 1 360.461 4.027 20 0 FIADMM O=C([O-])[C@H]1CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000262929626 1099751232 /nfs/dbraw/zinc/75/12/32/1099751232.db2.gz ACVNRBVCJOUEKN-JTQLQIEISA-N -1 1 371.289 4.414 20 0 FIADMM Cc1noc(-c2ccc(C)c(NC(=O)c3cc4ccccc4cc3[O-])c2)n1 ZINC000536686932 1100180514 /nfs/dbraw/zinc/18/05/14/1100180514.db2.gz LSDCXGVMNWQNKY-UHFFFAOYSA-N -1 1 359.385 4.465 20 0 FIADMM Cc1cnc(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c([O-])c1 ZINC000425915242 1100241584 /nfs/dbraw/zinc/24/15/84/1100241584.db2.gz JMDZKOSJBXDMGM-UHFFFAOYSA-N -1 1 365.260 4.422 20 0 FIADMM CC(=O)Nc1ccc(S[C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445477227 1100324473 /nfs/dbraw/zinc/32/44/73/1100324473.db2.gz MXXXGPWBNIURIU-SNVBAGLBSA-N -1 1 373.409 4.393 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000438767214 1100905084 /nfs/dbraw/zinc/90/50/84/1100905084.db2.gz PUKSOKSMROYRFI-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000438801690 1100920153 /nfs/dbraw/zinc/92/01/53/1100920153.db2.gz NVMABSZVXDYEIQ-UHFFFAOYSA-N -1 1 371.380 4.345 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1Cl ZINC000438795078 1100923707 /nfs/dbraw/zinc/92/37/07/1100923707.db2.gz JFSWRFGJRPJKHC-UHFFFAOYSA-N -1 1 351.855 4.288 20 0 FIADMM CC(C)c1cnc(-c2ccc(NC(=O)c3csc(=NC4CC4)[n-]3)cc2)o1 ZINC000426351939 1101340580 /nfs/dbraw/zinc/34/05/80/1101340580.db2.gz KEQKWZACTCPXCV-UHFFFAOYSA-N -1 1 368.462 4.170 20 0 FIADMM O=S(=O)([N-]Cc1ccccc1F)c1c(Cl)cc(Cl)cc1Cl ZINC000615135607 1101370503 /nfs/dbraw/zinc/37/05/03/1101370503.db2.gz UMZYMDOIVSOFOQ-UHFFFAOYSA-N -1 1 368.644 4.264 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000537037042 1101411658 /nfs/dbraw/zinc/41/16/58/1101411658.db2.gz KNQZWFKPAVIFHR-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(Cl)ccc1C(F)(F)F ZINC000506592389 1101485123 /nfs/dbraw/zinc/48/51/23/1101485123.db2.gz HDZPFCQDYVVWPI-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1F ZINC000475735704 1101536592 /nfs/dbraw/zinc/53/65/92/1101536592.db2.gz DGZPVTBZBLUVCR-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000509597322 1101561765 /nfs/dbraw/zinc/56/17/65/1101561765.db2.gz ZRGMIWVTMYBBID-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM O=C([O-])c1ccc2c(c1)CN(CCc1cc(Cl)ccc1Cl)CC2 ZINC000518783048 1101583960 /nfs/dbraw/zinc/58/39/60/1101583960.db2.gz XECSFTCQKLAWHN-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM COc1cc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)cc(Cl)c1[O-] ZINC000460123697 1101616775 /nfs/dbraw/zinc/61/67/75/1101616775.db2.gz GJUFRYZZHVTSNA-DYZYQPBXSA-N -1 1 363.816 4.247 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000081689088 1101690553 /nfs/dbraw/zinc/69/05/53/1101690553.db2.gz PMUYVRDRPHZJDB-UHFFFAOYSA-N -1 1 369.494 4.023 20 0 FIADMM COc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc(Cl)c1[O-] ZINC000460196986 1101698686 /nfs/dbraw/zinc/69/86/86/1101698686.db2.gz XWSRUYJJMJEVCC-KRWDZBQOSA-N -1 1 363.816 4.465 20 0 FIADMM COc1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000460211983 1101744281 /nfs/dbraw/zinc/74/42/81/1101744281.db2.gz ORFXHPOUADNTKV-YOEHRIQHSA-N -1 1 359.853 4.195 20 0 FIADMM CCOc1cc(-c2noc(CCc3ccccc3OC)n2)cc(Cl)c1[O-] ZINC000445430941 1101766431 /nfs/dbraw/zinc/76/64/31/1101766431.db2.gz LTAFBEOOXKDRRF-UHFFFAOYSA-N -1 1 374.824 4.288 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1 ZINC000188090532 1101821369 /nfs/dbraw/zinc/82/13/69/1101821369.db2.gz LQWDPSIMMZNTOO-UHFFFAOYSA-N -1 1 361.854 4.241 20 0 FIADMM CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000032064846 1101879263 /nfs/dbraw/zinc/87/92/63/1101879263.db2.gz NKJTVGIMIXUSSF-INIZCTEOSA-N -1 1 374.506 4.056 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000032098085 1101897176 /nfs/dbraw/zinc/89/71/76/1101897176.db2.gz WHJQQYSDBKNRIK-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)[nH]nc1C1CC1 ZINC000760319287 1101908061 /nfs/dbraw/zinc/90/80/61/1101908061.db2.gz HYDQOKKLZFEWLQ-UHFFFAOYSA-N -1 1 367.430 4.296 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2sc(CC3CC3)nc2C)c(F)c1F ZINC000475809676 1101927502 /nfs/dbraw/zinc/92/75/02/1101927502.db2.gz NCPASVXHOMBEDG-UHFFFAOYSA-N -1 1 368.380 4.276 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1F)c1cc(C(F)(F)F)ccc1Cl ZINC000519201956 1102004152 /nfs/dbraw/zinc/00/41/52/1102004152.db2.gz NENLCZHSQMPGLS-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000263371076 1102098806 /nfs/dbraw/zinc/09/88/06/1102098806.db2.gz VJNLXPDIQFSIMD-DGCLKSJQSA-N -1 1 350.871 4.006 20 0 FIADMM CCc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000476560420 1102347656 /nfs/dbraw/zinc/34/76/56/1102347656.db2.gz FVLVYGGNIJTHCH-UHFFFAOYSA-N -1 1 368.458 4.161 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 ZINC000110592067 1102394261 /nfs/dbraw/zinc/39/42/61/1102394261.db2.gz PPPWDMJSABXSSO-UHFFFAOYSA-N -1 1 374.506 4.397 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccc(Cl)c1Cl ZINC000473657356 1102403735 /nfs/dbraw/zinc/40/37/35/1102403735.db2.gz JQSJMFNNFJKWLE-UHFFFAOYSA-N -1 1 368.170 4.336 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1 ZINC000048655334 1102409411 /nfs/dbraw/zinc/40/94/11/1102409411.db2.gz PAJVJTDAVAAAPJ-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM CC(C)(CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC000476591989 1102510925 /nfs/dbraw/zinc/51/09/25/1102510925.db2.gz DAJVPIUWWRWJCZ-UHFFFAOYSA-N -1 1 370.490 4.132 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cc2cc(Br)ccc2o1 ZINC000532621078 1102596404 /nfs/dbraw/zinc/59/64/04/1102596404.db2.gz STXNKQVHYQIBGJ-UHFFFAOYSA-N -1 1 350.143 4.292 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000532622296 1102596874 /nfs/dbraw/zinc/59/68/74/1102596874.db2.gz XAQBKSYCIRJCGI-RYUDHWBXSA-N -1 1 355.287 4.172 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1F ZINC000614827300 1102674162 /nfs/dbraw/zinc/67/41/62/1102674162.db2.gz OEKSOMRTGIJVIW-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000536542536 1102692837 /nfs/dbraw/zinc/69/28/37/1102692837.db2.gz ZESGQPKEPUFUOH-SNVBAGLBSA-N -1 1 364.214 4.053 20 0 FIADMM CCc1nc(CNCc2ccc(Cl)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000426668554 1102735913 /nfs/dbraw/zinc/73/59/13/1102735913.db2.gz FVJVFLUNCNLMBM-UHFFFAOYSA-N -1 1 372.774 4.304 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1 ZINC000101850804 1102739041 /nfs/dbraw/zinc/73/90/41/1102739041.db2.gz KEQBFOMSZAATPO-UHFFFAOYSA-N -1 1 366.442 4.060 20 0 FIADMM O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000843761472 1102932771 /nfs/dbraw/zinc/93/27/71/1102932771.db2.gz AHIQEBCBMCIIHM-UHFFFAOYSA-N -1 1 350.340 4.264 20 0 FIADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000476903132 1102945074 /nfs/dbraw/zinc/94/50/74/1102945074.db2.gz NDJKDSAOWOPEQK-IBGZPJMESA-N -1 1 363.486 4.270 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000426748067 1102964888 /nfs/dbraw/zinc/96/48/88/1102964888.db2.gz UOIJLYUEOVMNCY-AUUYWEPGSA-N -1 1 352.459 4.362 20 0 FIADMM COc1ccccc1CN[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000426750921 1102967434 /nfs/dbraw/zinc/96/74/34/1102967434.db2.gz REPVTBHQACTVAG-HNNXBMFYSA-N -1 1 354.233 4.308 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1F ZINC000426795185 1102996351 /nfs/dbraw/zinc/99/63/51/1102996351.db2.gz WYWAMZWNAUOSOG-CQSZACIVSA-N -1 1 361.722 4.413 20 0 FIADMM COc1ccc2oc(CN[C@@H](CCCc3ccccc3)C(=O)[O-])cc2c1 ZINC000426800933 1102998077 /nfs/dbraw/zinc/99/80/77/1102998077.db2.gz RFYXDOZNNYPOBP-IBGZPJMESA-N -1 1 353.418 4.007 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1 ZINC000426812763 1103008457 /nfs/dbraw/zinc/00/84/57/1103008457.db2.gz RZABFPOBCUVLRS-KRWDZBQOSA-N -1 1 355.825 4.036 20 0 FIADMM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1ccc(Br)cc1 ZINC000426813498 1103009606 /nfs/dbraw/zinc/00/96/06/1103009606.db2.gz XSVWHZYEQAPOJM-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000614863573 1103010711 /nfs/dbraw/zinc/01/07/11/1103010711.db2.gz CSZJLUGXVOMKGI-UHFFFAOYSA-N -1 1 374.437 4.270 20 0 FIADMM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000532749772 1103165574 /nfs/dbraw/zinc/16/55/74/1103165574.db2.gz UNVWOXYTEWHUPI-SECBINFHSA-N -1 1 370.630 4.214 20 0 FIADMM O=C([O-])[C@@]1(NCc2cc(Cl)ccc2Cl)CCc2c1cccc2F ZINC000551423228 1103204204 /nfs/dbraw/zinc/20/42/04/1103204204.db2.gz RCABFDRBZCNYQO-QGZVFWFLSA-N -1 1 354.208 4.148 20 0 FIADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000427115434 1103270828 /nfs/dbraw/zinc/27/08/28/1103270828.db2.gz RUPUNZKIEUIVET-CQSZACIVSA-N -1 1 350.340 4.173 20 0 FIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cccc(-c2ccoc2)c1 ZINC000760573290 1103275628 /nfs/dbraw/zinc/27/56/28/1103275628.db2.gz TZEZMDXMYKYGID-UHFFFAOYSA-N -1 1 362.337 4.116 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(OC(F)F)c3)cc2s1 ZINC000427136745 1103290079 /nfs/dbraw/zinc/29/00/79/1103290079.db2.gz PBDICUVDINFOAI-UHFFFAOYSA-N -1 1 370.402 4.007 20 0 FIADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000083063683 1103358183 /nfs/dbraw/zinc/35/81/83/1103358183.db2.gz SQWLHPMQMCOYOB-OLZOCXBDSA-N -1 1 369.852 4.253 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2csc(-c3ccccc3)n2)[n-]c1=O ZINC000427277340 1103401243 /nfs/dbraw/zinc/40/12/43/1103401243.db2.gz ZLCVJFJXLWWENC-FMIVXFBMSA-N -1 1 367.430 4.043 20 0 FIADMM C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC001649000501 1103402046 /nfs/dbraw/zinc/40/20/46/1103402046.db2.gz YVJLPABLUVEYIY-GOSISDBHSA-N -1 1 360.251 4.306 20 0 FIADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000507566847 1103490272 /nfs/dbraw/zinc/49/02/72/1103490272.db2.gz OREJDCHUZAVSHG-UHFFFAOYSA-N -1 1 362.209 4.136 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507582383 1103511767 /nfs/dbraw/zinc/51/17/67/1103511767.db2.gz WWPFMAYUDYOEGS-UHFFFAOYSA-N -1 1 372.393 4.482 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(Cl)cc1F ZINC000507621613 1103555704 /nfs/dbraw/zinc/55/57/04/1103555704.db2.gz OKHROJMEHBEJLN-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)ccc1F ZINC000507642078 1103581505 /nfs/dbraw/zinc/58/15/05/1103581505.db2.gz ALGLMCFZRHDJJL-UHFFFAOYSA-N -1 1 372.393 4.482 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000551897994 1103768246 /nfs/dbraw/zinc/76/82/46/1103768246.db2.gz IVCUHSBQCXYUKV-UHFFFAOYSA-N -1 1 363.816 4.163 20 0 FIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2csc3ccccc23)no1 ZINC000551946437 1103800544 /nfs/dbraw/zinc/80/05/44/1103800544.db2.gz GAWNGZTUIDGZPV-UHFFFAOYSA-N -1 1 350.465 4.129 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(-n2cccn2)cc1 ZINC000440814444 1103963603 /nfs/dbraw/zinc/96/36/03/1103963603.db2.gz YWJMYSQMJWIWAX-HNNXBMFYSA-N -1 1 357.413 4.222 20 0 FIADMM Cc1cccc(C2=CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)c1 ZINC000537831730 1103971879 /nfs/dbraw/zinc/97/18/79/1103971879.db2.gz ONNGYKALTKZVPP-UHFFFAOYSA-N -1 1 372.262 4.393 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1F ZINC000440827854 1103975052 /nfs/dbraw/zinc/97/50/52/1103975052.db2.gz RGUUVGBMMXROFW-UHFFFAOYSA-N -1 1 372.421 4.379 20 0 FIADMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2s1 ZINC000520018346 1104026286 /nfs/dbraw/zinc/02/62/86/1104026286.db2.gz SMWWHLKHPWIGHR-UHFFFAOYSA-N -1 1 350.440 4.360 20 0 FIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000538298166 1104116748 /nfs/dbraw/zinc/11/67/48/1104116748.db2.gz IXRHFWWGTUNMES-UHFFFAOYSA-N -1 1 374.487 4.481 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C ZINC000188289959 1104145937 /nfs/dbraw/zinc/14/59/37/1104145937.db2.gz FZSPIIIKHFFERG-UHFFFAOYSA-N -1 1 362.520 4.118 20 0 FIADMM CCc1cccc2c(CC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c[nH]c21 ZINC000520280682 1104220085 /nfs/dbraw/zinc/22/00/85/1104220085.db2.gz USDRJQUIRKBUTB-UHFFFAOYSA-N -1 1 360.417 4.007 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2C2CC2)c1 ZINC000655602783 1104833493 /nfs/dbraw/zinc/83/34/93/1104833493.db2.gz LRGRJGIUXXRWKJ-UHFFFAOYSA-N -1 1 367.854 4.035 20 0 FIADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000520594949 1105027058 /nfs/dbraw/zinc/02/70/58/1105027058.db2.gz ZAJBXFMLTPVIBC-QZTJIDSGSA-N -1 1 372.465 4.065 20 0 FIADMM CCCc1ccc([C@H](C)N(CC(N)=O)Cc2cccc([O-])c2Cl)cc1 ZINC000507786640 1105039595 /nfs/dbraw/zinc/03/95/95/1105039595.db2.gz ZAECOWYNRXYCNS-AWEZNQCLSA-N -1 1 360.885 4.047 20 0 FIADMM CCOc1cc(-c2noc(CSC(C)C)n2)cc(Br)c1[O-] ZINC000520636369 1105070659 /nfs/dbraw/zinc/07/06/59/1105070659.db2.gz HQGVMEVBAKSYDI-UHFFFAOYSA-N -1 1 373.272 4.245 20 0 FIADMM CCCn1nc(C)c(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000665193521 1105197886 /nfs/dbraw/zinc/19/78/86/1105197886.db2.gz ANJBEWJUMXMCMS-UHFFFAOYSA-N -1 1 369.490 4.378 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1-c1ccncc1 ZINC000427655465 1105233802 /nfs/dbraw/zinc/23/38/02/1105233802.db2.gz HDFACFDVMNBXGA-UHFFFAOYSA-N -1 1 364.470 4.347 20 0 FIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000508191961 1105346961 /nfs/dbraw/zinc/34/69/61/1105346961.db2.gz PVOIDLPLLDGURZ-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)c2C1 ZINC000450993562 1106860700 /nfs/dbraw/zinc/86/07/00/1106860700.db2.gz WBHALVWTVKQGGZ-UHFFFAOYSA-N -1 1 356.491 4.090 20 0 FIADMM C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1 ZINC000444358140 1106908349 /nfs/dbraw/zinc/90/83/49/1106908349.db2.gz AKJAFIMBURUGOA-OAHLLOKOSA-N -1 1 366.461 4.197 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)c(C)c1F ZINC000451088103 1106922325 /nfs/dbraw/zinc/92/23/25/1106922325.db2.gz PULPPDWJRGDTFY-UHFFFAOYSA-N -1 1 359.369 4.055 20 0 FIADMM Cc1nc(-c2ccc(NCCc3csc(C(C)C)n3)nc2)[n-]c(=O)c1C ZINC000301408458 1107021153 /nfs/dbraw/zinc/02/11/53/1107021153.db2.gz NJFLIIVHPCAPSY-UHFFFAOYSA-N -1 1 369.494 4.096 20 0 FIADMM CCS[C@@H]1CCC[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301490014 1107046122 /nfs/dbraw/zinc/04/61/22/1107046122.db2.gz AIVUCUGSTIYRMQ-HZPDHXFCSA-N -1 1 358.511 4.337 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@H]3Cc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301499486 1107050153 /nfs/dbraw/zinc/05/01/53/1107050153.db2.gz DAESNXUGIZTELY-LJQANCHMSA-N -1 1 360.461 4.073 20 0 FIADMM Cc1ccc([C@@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000302089588 1107299516 /nfs/dbraw/zinc/29/95/16/1107299516.db2.gz ARCGUHWQVPISLN-LJQANCHMSA-N -1 1 360.461 4.163 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000530770818 1107310083 /nfs/dbraw/zinc/31/00/83/1107310083.db2.gz IXAZSQNDDQCTBI-YPMHNXCESA-N -1 1 361.385 4.080 20 0 FIADMM OCC[C@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)c1ccco1 ZINC000302225338 1107343717 /nfs/dbraw/zinc/34/37/17/1107343717.db2.gz RFNMVDGLZVAGNQ-LBPRGKRZSA-N -1 1 354.193 4.172 20 0 FIADMM Cc1nc(-c2ccc(N3CCC(c4ccsc4)CC3)nc2)[n-]c(=O)c1C ZINC000302500710 1107377785 /nfs/dbraw/zinc/37/77/85/1107377785.db2.gz VISLDMXXCCREKT-UHFFFAOYSA-N -1 1 366.490 4.307 20 0 FIADMM CC(C)CNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000614747839 1107621022 /nfs/dbraw/zinc/62/10/22/1107621022.db2.gz SEFGENLAIZSEMG-UHFFFAOYSA-N -1 1 362.429 4.184 20 0 FIADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000531194264 1107658112 /nfs/dbraw/zinc/65/81/12/1107658112.db2.gz YOXHQUOBORGMQB-UHFFFAOYSA-N -1 1 374.245 4.055 20 0 FIADMM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc([O-])cc1F ZINC000444756407 1108137094 /nfs/dbraw/zinc/13/70/94/1108137094.db2.gz BERYFXBTDQKPAT-ZDUSSCGKSA-N -1 1 365.685 4.357 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000531780767 1108173062 /nfs/dbraw/zinc/17/30/62/1108173062.db2.gz LJRFXXCWSOGYAM-UHFFFAOYSA-N -1 1 356.447 4.070 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016101215 1108677642 /nfs/dbraw/zinc/67/76/42/1108677642.db2.gz FNOZBQITEISPLX-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CCC(=Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1)CC ZINC000445394321 1108724592 /nfs/dbraw/zinc/72/45/92/1108724592.db2.gz SEFLFTQSAJXQEE-UHFFFAOYSA-N -1 1 353.216 4.417 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(C(C)C)n(C)n3)n2)cc(Cl)c1[O-] ZINC000445408089 1108733078 /nfs/dbraw/zinc/73/30/78/1108733078.db2.gz ZCKXHXKBGLZDRG-UHFFFAOYSA-N -1 1 362.817 4.018 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000532267447 1108737753 /nfs/dbraw/zinc/73/77/53/1108737753.db2.gz XDCBQWXUTSZXNT-CHWSQXEVSA-N -1 1 350.187 4.036 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3cncc(OC)c3)n2)cc(Cl)c1[O-] ZINC000445429279 1108740757 /nfs/dbraw/zinc/74/07/57/1108740757.db2.gz ZNMXWBHTCUJEJD-PLNGDYQASA-N -1 1 373.796 4.068 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(C)c(C)c3O)n2)cc(Cl)c1[O-] ZINC000445429823 1108741319 /nfs/dbraw/zinc/74/13/19/1108741319.db2.gz GFRARZFWCZOUEL-UHFFFAOYSA-N -1 1 360.797 4.484 20 0 FIADMM C[C@H]1CCN(c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)ccn2)C1 ZINC000445451170 1108756281 /nfs/dbraw/zinc/75/62/81/1108756281.db2.gz BLBJXTUYTXWXRY-NSHDSACASA-N -1 1 356.813 4.004 20 0 FIADMM CC1=NN(c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2)CC1 ZINC000445445196 1108771397 /nfs/dbraw/zinc/77/13/97/1108771397.db2.gz IFZJEMQBFCDYPI-UHFFFAOYSA-N -1 1 354.797 4.349 20 0 FIADMM Cc1nn(-c2ccccc2)cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446781 1108772669 /nfs/dbraw/zinc/77/26/69/1108772669.db2.gz MZNVNXVPHCQHJI-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM COC(=O)c1cnc(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000193538304 1108777730 /nfs/dbraw/zinc/77/77/30/1108777730.db2.gz SIZNALPBMUUOIT-VIFPVBQESA-N -1 1 363.826 4.358 20 0 FIADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000193538304 1108777739 /nfs/dbraw/zinc/77/77/39/1108777739.db2.gz SIZNALPBMUUOIT-VIFPVBQESA-N -1 1 363.826 4.358 20 0 FIADMM CC(C)CC(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1F ZINC000445453267 1108785564 /nfs/dbraw/zinc/78/55/64/1108785564.db2.gz HHYZBFRWAHTOFO-UHFFFAOYSA-N -1 1 373.359 4.372 20 0 FIADMM Cc1cc(C)n(-c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)n1 ZINC000445455171 1108788911 /nfs/dbraw/zinc/78/89/11/1108788911.db2.gz CFVPXYCDDWCEAY-UHFFFAOYSA-N -1 1 350.353 4.051 20 0 FIADMM Cc1nc(CCc2nc(-c3ccc([O-])cc3F)no2)oc1-c1ccccc1 ZINC000445455660 1108789211 /nfs/dbraw/zinc/78/92/11/1108789211.db2.gz LJQSGDZXSCUMAA-UHFFFAOYSA-N -1 1 365.364 4.330 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3coc(-c4ccc(Cl)cc4)n3)n2)c(F)c1 ZINC000445459760 1108793493 /nfs/dbraw/zinc/79/34/93/1108793493.db2.gz HADVMUMJVADYIO-UHFFFAOYSA-N -1 1 371.755 4.481 20 0 FIADMM [O-]c1ccc(-c2noc(COc3cc(Cl)ccc3Cl)n2)cc1F ZINC000445478933 1108798760 /nfs/dbraw/zinc/79/87/60/1108798760.db2.gz DXLILKZWUALGQS-UHFFFAOYSA-N -1 1 355.152 4.467 20 0 FIADMM O=C(CCc1nc(-c2ccc([O-])c(F)c2)no1)c1ccc2c(c1)CCCC2 ZINC000445482282 1108802777 /nfs/dbraw/zinc/80/27/77/1108802777.db2.gz SCYKHOMVDFJNCR-UHFFFAOYSA-N -1 1 366.392 4.276 20 0 FIADMM CC(C)Cn1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1C(F)F ZINC000445483715 1108804562 /nfs/dbraw/zinc/80/45/62/1108804562.db2.gz UVRDKZJEQOQFNX-UHFFFAOYSA-N -1 1 352.316 4.038 20 0 FIADMM CCOc1cc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)cc(Cl)c1[O-] ZINC000445645524 1108925748 /nfs/dbraw/zinc/92/57/48/1108925748.db2.gz SSBXCLRVRZAUKB-UHFFFAOYSA-N -1 1 362.817 4.113 20 0 FIADMM CCN(C(=O)Cc1noc(-c2ccc3ccccc3c2[O-])n1)c1ccccc1 ZINC000445672389 1108950863 /nfs/dbraw/zinc/95/08/63/1108950863.db2.gz LJJANHSUHGUACU-UHFFFAOYSA-N -1 1 373.412 4.191 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000016147632 1108978284 /nfs/dbraw/zinc/97/82/84/1108978284.db2.gz LWEMGJPSHSVYLR-UHFFFAOYSA-N -1 1 366.653 4.456 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(C(C)(C)C)no3)cc2)cc1 ZINC000524632929 1109106151 /nfs/dbraw/zinc/10/61/51/1109106151.db2.gz RSCUJDQMKXIDKE-UHFFFAOYSA-N -1 1 371.462 4.143 20 0 FIADMM C[C@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000525064038 1109246065 /nfs/dbraw/zinc/24/60/65/1109246065.db2.gz HKLUCZFUZIRYQK-HOTGVXAUSA-N -1 1 372.490 4.252 20 0 FIADMM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000446762060 1109337786 /nfs/dbraw/zinc/33/77/86/1109337786.db2.gz NDACQVLIRGXQSW-UHFFFAOYSA-N -1 1 357.360 4.022 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc2ncccc2c1 ZINC000525331605 1109339530 /nfs/dbraw/zinc/33/95/30/1109339530.db2.gz HUGDHJTUNGNDLX-UHFFFAOYSA-N -1 1 370.327 4.194 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@](C)(c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000446852509 1109360426 /nfs/dbraw/zinc/36/04/26/1109360426.db2.gz OGTKAFZXBKAFBK-QFIPXVFZSA-N -1 1 360.461 4.029 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1Oc1ccncc1 ZINC000447271613 1109492875 /nfs/dbraw/zinc/49/28/75/1109492875.db2.gz RXCFHKGWOBIWSU-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)n1 ZINC000447278661 1109493685 /nfs/dbraw/zinc/49/36/85/1109493685.db2.gz NZXVFLUAWJHJSR-LLVKDONJSA-N -1 1 374.441 4.101 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cc2sc(N3CCCC3)nc2s1 ZINC000527001913 1109658252 /nfs/dbraw/zinc/65/82/52/1109658252.db2.gz LGLWKBGWJSKTKX-UHFFFAOYSA-N -1 1 363.439 4.055 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3[C@H](C)O[C@H](C)[C@H]3C)n2)cc(Cl)c1[O-] ZINC000528169203 1109930787 /nfs/dbraw/zinc/93/07/87/1109930787.db2.gz SHYLSBAMJUHYAZ-RBQUTUCGSA-N -1 1 352.818 4.021 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@]3(C)Br)n2)cc(Cl)c1[O-] ZINC000528170396 1109930833 /nfs/dbraw/zinc/93/08/33/1109930833.db2.gz ZMAYRTCLBRRBRB-RTHLEPHNSA-N -1 1 373.634 4.135 20 0 FIADMM CC(C)c1nocc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000529082950 1110194621 /nfs/dbraw/zinc/19/46/21/1110194621.db2.gz WKZFVMSGBSYCMD-UHFFFAOYSA-N -1 1 362.842 4.146 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCN(CC(F)(F)F)C1 ZINC000529539301 1110286983 /nfs/dbraw/zinc/28/69/83/1110286983.db2.gz QJRWLBJZJURXMG-JTQLQIEISA-N -1 1 372.774 4.022 20 0 FIADMM COc1cc(C(=O)Nc2cccc(C3CCOCC3)c2)cc(Cl)c1[O-] ZINC000529939901 1110343320 /nfs/dbraw/zinc/34/33/20/1110343320.db2.gz ZCQUWRGSMBRLOW-UHFFFAOYSA-N -1 1 361.825 4.201 20 0 FIADMM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000538743300 1111277689 /nfs/dbraw/zinc/27/76/89/1111277689.db2.gz SBSOLGVZOJLUFR-KRWDZBQOSA-N -1 1 369.852 4.300 20 0 FIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccsc3)cc2)cc1 ZINC000462097426 1111499374 /nfs/dbraw/zinc/49/93/74/1111499374.db2.gz KMKFTLMSMJSODK-UHFFFAOYSA-N -1 1 361.444 4.350 20 0 FIADMM Cc1cccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1Cl ZINC000539400660 1111551175 /nfs/dbraw/zinc/55/11/75/1111551175.db2.gz PTPGNZRQWVPKKN-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478069262 1111676390 /nfs/dbraw/zinc/67/63/90/1111676390.db2.gz VPQVNZNHVXHVMJ-AZUAARDMSA-N -1 1 372.490 4.108 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1 ZINC000667374131 1111845444 /nfs/dbraw/zinc/84/54/44/1111845444.db2.gz KFZNJKODMRJLHD-QGZVFWFLSA-N -1 1 369.446 4.094 20 0 FIADMM Cc1ccc(C(C)(C)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C)c1 ZINC000553301047 1111944177 /nfs/dbraw/zinc/94/41/77/1111944177.db2.gz VXLAPHJAXRYVDX-UHFFFAOYSA-N -1 1 369.509 4.113 20 0 FIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccccc3F)cc2s1 ZINC000479286915 1111982333 /nfs/dbraw/zinc/98/23/33/1111982333.db2.gz RNXABWOUXKLCOW-UHFFFAOYSA-N -1 1 356.831 4.198 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1C ZINC000479316720 1111990042 /nfs/dbraw/zinc/99/00/42/1111990042.db2.gz QZEJHFHZKYRARA-UHFFFAOYSA-N -1 1 368.458 4.175 20 0 FIADMM CCSc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000553667944 1112046576 /nfs/dbraw/zinc/04/65/76/1112046576.db2.gz FLLOAZHRTVECGU-UHFFFAOYSA-N -1 1 366.280 4.197 20 0 FIADMM CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479723507 1112118823 /nfs/dbraw/zinc/11/88/23/1112118823.db2.gz MLKVHUURYMWMRV-UHFFFAOYSA-N -1 1 374.400 4.252 20 0 FIADMM CCC[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000479741417 1112126813 /nfs/dbraw/zinc/12/68/13/1112126813.db2.gz GQSCWVNHQUBYGT-IBGZPJMESA-N -1 1 374.506 4.498 20 0 FIADMM CCOc1cc(C(=O)N2CCc3cc(Cl)ccc3C2)cc(Cl)c1[O-] ZINC000480837792 1112626767 /nfs/dbraw/zinc/62/67/67/1112626767.db2.gz KXRGDOFSMGAPEE-UHFFFAOYSA-N -1 1 366.244 4.296 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1 ZINC000481942620 1113135873 /nfs/dbraw/zinc/13/58/73/1113135873.db2.gz KDRCWIAADIKLQL-UHFFFAOYSA-N -1 1 365.669 4.459 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc(Cl)c1[O-] ZINC000481986570 1113145188 /nfs/dbraw/zinc/14/51/88/1113145188.db2.gz TYQGLRHQQIZOOA-KOLCDFICSA-N -1 1 365.779 4.247 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)s1 ZINC000160038431 1113287465 /nfs/dbraw/zinc/28/74/65/1113287465.db2.gz XCBIJHLHOWWDIM-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482561657 1113295769 /nfs/dbraw/zinc/29/57/69/1113295769.db2.gz WPSPVGLEFFAXGC-CQSZACIVSA-N -1 1 356.260 4.139 20 0 FIADMM COc1c(F)ccc(F)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482608910 1113308135 /nfs/dbraw/zinc/30/81/35/1113308135.db2.gz XAPLNNJAQBEWGK-UHFFFAOYSA-N -1 1 372.165 4.002 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000482645099 1113319088 /nfs/dbraw/zinc/31/90/88/1113319088.db2.gz ZOEQSAOZJDSDBQ-UHFFFAOYSA-N -1 1 352.253 4.266 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2c[nH]c3cccc(C)c23)c1 ZINC000482687004 1113330780 /nfs/dbraw/zinc/33/07/80/1113330780.db2.gz APQNASSWXNESMG-UHFFFAOYSA-N -1 1 373.250 4.434 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000483065059 1113433672 /nfs/dbraw/zinc/43/36/72/1113433672.db2.gz CDWSFQMFKDZQMT-HNNXBMFYSA-N -1 1 364.214 4.271 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1 ZINC000483167050 1113459956 /nfs/dbraw/zinc/45/99/56/1113459956.db2.gz ZOBHGDHVYMIADK-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1C ZINC000486097537 1113505012 /nfs/dbraw/zinc/50/50/12/1113505012.db2.gz GBUJBRJLUKGWKE-UHFFFAOYSA-N -1 1 373.474 4.096 20 0 FIADMM O=c1cc(/C=C\c2ccc(-c3cccc(Cl)c3Cl)o2)nc2nc[n-]n21 ZINC000486193273 1113521215 /nfs/dbraw/zinc/52/12/15/1113521215.db2.gz GWVSFOYGFSUHPS-PLNGDYQASA-N -1 1 373.199 4.155 20 0 FIADMM Cc1cc(Br)ccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486771064 1113639451 /nfs/dbraw/zinc/63/94/51/1113639451.db2.gz KPQGVVHWPSPDMR-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM Cc1ccc(NC(=O)CCC2CCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000486820921 1113656675 /nfs/dbraw/zinc/65/66/75/1113656675.db2.gz LKWWEOIIGPHSSC-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM CC(C)(C)c1ncsc1C(=O)Nc1cccc([O-])c1Br ZINC000908712232 1113688055 /nfs/dbraw/zinc/68/80/55/1113688055.db2.gz GJSXPAJNUKWVDV-UHFFFAOYSA-N -1 1 355.257 4.161 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000908715192 1113688392 /nfs/dbraw/zinc/68/83/92/1113688392.db2.gz QDMWMTUDTGWMGT-IUCAKERBSA-N -1 1 366.177 4.462 20 0 FIADMM CC(C)(C)c1ncc(C(=O)Nc2cccc([O-])c2Br)s1 ZINC000908716779 1113688977 /nfs/dbraw/zinc/68/89/77/1113688977.db2.gz NUGWSADLYVPULM-UHFFFAOYSA-N -1 1 355.257 4.161 20 0 FIADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(Br)c1 ZINC000486984607 1113690662 /nfs/dbraw/zinc/69/06/62/1113690662.db2.gz ZAFVJNDVEWXZSM-UHFFFAOYSA-N -1 1 371.618 4.461 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2CCC[C@H](C)C2)c1 ZINC000055481303 1114475683 /nfs/dbraw/zinc/47/56/83/1114475683.db2.gz VPNRZEIFEXUFQE-HOCLYGCPSA-N -1 1 372.538 4.249 20 0 FIADMM CCc1nc(SCc2ccc(OC)cc2Br)[n-]c(=O)c1C ZINC000571581309 1114479196 /nfs/dbraw/zinc/47/91/96/1114479196.db2.gz CLCAGUMYNYDAGU-UHFFFAOYSA-N -1 1 369.284 4.116 20 0 FIADMM CC1(C)[C@H](C(F)(F)F)CCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000572250471 1114619728 /nfs/dbraw/zinc/61/97/28/1114619728.db2.gz VYUZENYMXMXNPT-CYBMUJFWSA-N -1 1 365.779 4.080 20 0 FIADMM CCCCN(C(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1)C1CC1 ZINC000045369107 1114651348 /nfs/dbraw/zinc/65/13/48/1114651348.db2.gz DXMLEHIBWBFHLZ-UHFFFAOYSA-N -1 1 358.511 4.097 20 0 FIADMM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)COC2 ZINC000589938288 1114861526 /nfs/dbraw/zinc/86/15/26/1114861526.db2.gz PXKZUUMCJMUNJB-UHFFFAOYSA-N -1 1 367.426 4.310 20 0 FIADMM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1Cl ZINC000589939416 1114870475 /nfs/dbraw/zinc/87/04/75/1114870475.db2.gz YHMQILPQWRDIGY-UHFFFAOYSA-N -1 1 358.246 4.133 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)oc1C ZINC000057120389 1114873919 /nfs/dbraw/zinc/87/39/19/1114873919.db2.gz FUVBEBZMEYJUKG-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c1 ZINC000589980867 1114874422 /nfs/dbraw/zinc/87/44/22/1114874422.db2.gz SLWNVVNJNHNPFM-UHFFFAOYSA-N -1 1 371.487 4.045 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000057776973 1114996686 /nfs/dbraw/zinc/99/66/86/1114996686.db2.gz FAVVHYUCDLVIQL-UHFFFAOYSA-N -1 1 363.245 4.364 20 0 FIADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000573018372 1115000492 /nfs/dbraw/zinc/00/04/92/1115000492.db2.gz LZPKFCIDPACGJY-VIFPVBQESA-N -1 1 359.294 4.050 20 0 FIADMM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000590987447 1115006357 /nfs/dbraw/zinc/00/63/57/1115006357.db2.gz GZTFYOGOCMIEOQ-MOPGFXCFSA-N -1 1 372.509 4.211 20 0 FIADMM COc1ccc(CN(C)Cn2c(CCC3CCCC3)n[n-]c2=S)cc1 ZINC000058204865 1115138739 /nfs/dbraw/zinc/13/87/39/1115138739.db2.gz NVGQVIFBNZPHNH-UHFFFAOYSA-N -1 1 360.527 4.162 20 0 FIADMM O=C([O-])c1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1Cl ZINC000573734230 1115179414 /nfs/dbraw/zinc/17/94/14/1115179414.db2.gz SWNOSLJZTLCIIQ-UHFFFAOYSA-N -1 1 373.880 4.262 20 0 FIADMM COc1ccccc1[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000592454462 1115233361 /nfs/dbraw/zinc/23/33/61/1115233361.db2.gz WQYASFYOFAYUTR-AWEZNQCLSA-N -1 1 350.422 4.043 20 0 FIADMM COc1cccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1F ZINC000669474151 1115289356 /nfs/dbraw/zinc/28/93/56/1115289356.db2.gz HGAACAMKNBPOHZ-CQSZACIVSA-N -1 1 371.330 4.159 20 0 FIADMM CCSCC[C@@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000593740347 1115341597 /nfs/dbraw/zinc/34/15/97/1115341597.db2.gz VDQHSRCWRBPFQZ-LLVKDONJSA-N -1 1 360.317 4.111 20 0 FIADMM CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000060132761 1115593226 /nfs/dbraw/zinc/59/32/26/1115593226.db2.gz ZGLGYODTJCCRCO-YCRREMRBSA-N -1 1 358.825 4.472 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC3(C2)CCCCC3)c([O-])c1 ZINC000761186750 1115606391 /nfs/dbraw/zinc/60/63/91/1115606391.db2.gz VTYBXPBSLPJJQX-UHFFFAOYSA-N -1 1 360.454 4.146 20 0 FIADMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000598204357 1115714364 /nfs/dbraw/zinc/71/43/64/1115714364.db2.gz IBWNBXWXUNDXEM-HNNXBMFYSA-N -1 1 371.408 4.007 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1ccc2c(c1)CCC2 ZINC000598380509 1115723892 /nfs/dbraw/zinc/72/38/92/1115723892.db2.gz IGDXBLZSDRBUGL-UHFFFAOYSA-N -1 1 370.518 4.357 20 0 FIADMM CC1(C)Cc2cc([N-]S(=O)(=O)c3cccc(C(F)F)c3)ccc2O1 ZINC000780399103 1115742743 /nfs/dbraw/zinc/74/27/43/1115742743.db2.gz XSIGLTKDPIDGNC-UHFFFAOYSA-N -1 1 353.390 4.139 20 0 FIADMM CC/C=C(/C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000061400256 1115843049 /nfs/dbraw/zinc/84/30/49/1115843049.db2.gz UKLVNPKFHHKEBB-NVNXTCNLSA-N -1 1 358.463 4.091 20 0 FIADMM CCSCc1ccnc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC000761364048 1115855456 /nfs/dbraw/zinc/85/54/56/1115855456.db2.gz BBBBRXULWLYINS-NTMALXAHSA-N -1 1 368.911 4.401 20 0 FIADMM CN(C(=O)c1cccc(C(=O)Nc2c([O-])cccc2F)c1)c1ccccc1 ZINC000605436668 1115895246 /nfs/dbraw/zinc/89/52/46/1115895246.db2.gz LPISLLGQFSNVFM-UHFFFAOYSA-N -1 1 364.376 4.060 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000605440536 1115895619 /nfs/dbraw/zinc/89/56/19/1115895619.db2.gz UKUKHJAVHPIPLO-UHFFFAOYSA-N -1 1 356.397 4.302 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1 ZINC000605496055 1115904376 /nfs/dbraw/zinc/90/43/76/1115904376.db2.gz JKPGMBMHCFETAS-SNVBAGLBSA-N -1 1 369.895 4.186 20 0 FIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)ccc1C ZINC000605496836 1115904667 /nfs/dbraw/zinc/90/46/67/1115904667.db2.gz CMWMLWYTIWPXAV-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccc(Cl)cc1 ZINC000062294166 1115910536 /nfs/dbraw/zinc/91/05/36/1115910536.db2.gz GDAVGCLPVHBLCX-LBPRGKRZSA-N -1 1 367.854 4.020 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(F)(F)F ZINC000607331719 1116019638 /nfs/dbraw/zinc/01/96/38/1116019638.db2.gz VMCFVNBTZQXNNN-UHFFFAOYSA-N -1 1 369.286 4.232 20 0 FIADMM COc1ccc(-c2nsc([N-]C(=O)c3cc4cccc(F)c4o3)n2)cc1 ZINC000607823378 1116068307 /nfs/dbraw/zinc/06/83/07/1116068307.db2.gz POOSNKQYLFRGIO-UHFFFAOYSA-N -1 1 369.377 4.351 20 0 FIADMM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1noc(-c2cccc(F)c2)n1 ZINC000608012731 1116078468 /nfs/dbraw/zinc/07/84/68/1116078468.db2.gz CIIDAXDITPKKNO-UHFFFAOYSA-N -1 1 369.249 4.286 20 0 FIADMM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2c([O-])cccc2F)CC1=O ZINC000608366285 1116102437 /nfs/dbraw/zinc/10/24/37/1116102437.db2.gz HXESHKAIXBPGSD-KGLIPLIRSA-N -1 1 370.424 4.036 20 0 FIADMM O=C(CCCc1ccc(Br)s1)Nc1c([O-])cccc1F ZINC000608366233 1116102560 /nfs/dbraw/zinc/10/25/60/1116102560.db2.gz GVBCHRMIYNRPAW-UHFFFAOYSA-N -1 1 358.232 4.317 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(C(C)C)CC2)cc1 ZINC000174485223 1116137237 /nfs/dbraw/zinc/13/72/37/1116137237.db2.gz HIAVZFVSXPCEAI-UHFFFAOYSA-N -1 1 372.538 4.201 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1Cl ZINC000608955946 1116139742 /nfs/dbraw/zinc/13/97/42/1116139742.db2.gz WWICIZLTDFQCTL-UHFFFAOYSA-N -1 1 357.884 4.012 20 0 FIADMM CCCOc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456796975 1116217135 /nfs/dbraw/zinc/21/71/35/1116217135.db2.gz YABFGNKFKUVRFA-UHFFFAOYSA-N -1 1 363.360 4.061 20 0 FIADMM CC[C@H](C)n1ncc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1C1CC1 ZINC000534815632 1116238603 /nfs/dbraw/zinc/23/86/03/1116238603.db2.gz WIMBESZJAATXNE-NSHDSACASA-N -1 1 369.494 4.166 20 0 FIADMM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1c(F)ccc([O-])c1F ZINC000539448490 1116336984 /nfs/dbraw/zinc/33/69/84/1116336984.db2.gz VRJMEZQYOWTIGA-CYBMUJFWSA-N -1 1 369.314 4.079 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCc4c3cccc4F)nc2)[n-]c(=O)c1C ZINC000462378745 1116341759 /nfs/dbraw/zinc/34/17/59/1116341759.db2.gz TXNRQKOHXSEWDS-QGZVFWFLSA-N -1 1 350.397 4.100 20 0 FIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3C)c2C1 ZINC000539813673 1116384113 /nfs/dbraw/zinc/38/41/13/1116384113.db2.gz DRYPUNVJPHAGNN-UHFFFAOYSA-N -1 1 364.898 4.175 20 0 FIADMM Cc1ccccc1[C@H]1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000462818130 1117794134 /nfs/dbraw/zinc/79/41/34/1117794134.db2.gz QBRXRMVBMDOADJ-SFHVURJKSA-N -1 1 360.461 4.163 20 0 FIADMM CC(C)c1cc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ncn1 ZINC000462854597 1117814041 /nfs/dbraw/zinc/81/40/41/1117814041.db2.gz RIRLOZJOJKLALB-UHFFFAOYSA-N -1 1 369.446 4.193 20 0 FIADMM CC(C)c1cc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)on1 ZINC000463164582 1117990469 /nfs/dbraw/zinc/99/04/69/1117990469.db2.gz OIIFLNQKLXFFRT-UHFFFAOYSA-N -1 1 366.208 4.142 20 0 FIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000540498215 1118094233 /nfs/dbraw/zinc/09/42/33/1118094233.db2.gz RVBPCGJQLDWAAX-UHFFFAOYSA-N -1 1 362.451 4.205 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1-c1ccccc1 ZINC000540563230 1118130555 /nfs/dbraw/zinc/13/05/55/1118130555.db2.gz IBLMHKCIZMIMMN-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3cccs3)[nH]c2c1)c1ccsc1 ZINC000506831487 1118132417 /nfs/dbraw/zinc/13/24/17/1118132417.db2.gz YJPHVWUZYDTYCN-UHFFFAOYSA-N -1 1 361.473 4.154 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000540806687 1118256616 /nfs/dbraw/zinc/25/66/16/1118256616.db2.gz VUKUSNZRJLPHHJ-UHFFFAOYSA-N -1 1 361.401 4.347 20 0 FIADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)cc1 ZINC000542440701 1118930712 /nfs/dbraw/zinc/93/07/12/1118930712.db2.gz VIISKTKYSZXERB-CQSZACIVSA-N -1 1 360.251 4.093 20 0 FIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000172882935 1118986505 /nfs/dbraw/zinc/98/65/05/1118986505.db2.gz VCNFHPZVFCBJSW-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM O=C([N-]c1ccccc1SC(F)F)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151875644 1118995107 /nfs/dbraw/zinc/99/51/07/1118995107.db2.gz RMTLUJKSQKEUOR-UHFFFAOYSA-N -1 1 360.288 4.440 20 0 FIADMM O=C(Nc1ccccc1NC1CCCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000913944922 1119127630 /nfs/dbraw/zinc/12/76/30/1119127630.db2.gz CYKJCDKIKDJZGT-UHFFFAOYSA-N -1 1 352.438 4.057 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000007420203 1119480262 /nfs/dbraw/zinc/48/02/62/1119480262.db2.gz IUKZGQRMJVZEPJ-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccn(C3CCCC3)n2)c1 ZINC000182932058 1119562925 /nfs/dbraw/zinc/56/29/25/1119562925.db2.gz GTKZSKALJZLVSS-UHFFFAOYSA-N -1 1 364.243 4.027 20 0 FIADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000185337362 1119656138 /nfs/dbraw/zinc/65/61/38/1119656138.db2.gz LHGIMNANMYXGCC-UHFFFAOYSA-N -1 1 373.446 4.162 20 0 FIADMM COc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)ccc1F ZINC000190763017 1119947725 /nfs/dbraw/zinc/94/77/25/1119947725.db2.gz OZYCEZLCOISORU-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(CC(F)(F)F)cc1 ZINC000191784507 1119995931 /nfs/dbraw/zinc/99/59/31/1119995931.db2.gz UAWGRZBEQDPZBG-UHFFFAOYSA-N -1 1 366.364 4.140 20 0 FIADMM CCCN1C(=O)CCc2cc(NC(=O)Nc3ccc([O-])c(Cl)c3)ccc21 ZINC000192247980 1120046093 /nfs/dbraw/zinc/04/60/93/1120046093.db2.gz MCKIELCDWLHYAS-UHFFFAOYSA-N -1 1 373.840 4.379 20 0 FIADMM COc1ccc([C@H](NC(=O)Nc2ccc([O-])c(Cl)c2)C(F)(F)F)cc1 ZINC000192273869 1120048557 /nfs/dbraw/zinc/04/85/57/1120048557.db2.gz RGDVYVAWIRGBKC-AWEZNQCLSA-N -1 1 374.746 4.479 20 0 FIADMM CC(C)Oc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000192671606 1120073397 /nfs/dbraw/zinc/07/33/97/1120073397.db2.gz MNNXMDFCHHJYSI-UHFFFAOYSA-N -1 1 360.479 4.144 20 0 FIADMM Cc1cnc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c([O-])c1 ZINC000494916907 1120369436 /nfs/dbraw/zinc/36/94/36/1120369436.db2.gz KMFCPFJSUPLBGM-QGZVFWFLSA-N -1 1 356.472 4.007 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Br)ccc1Cl ZINC000229018681 1120460341 /nfs/dbraw/zinc/46/03/41/1120460341.db2.gz RACAZXOKEVTFHJ-LKTVYLICSA-N -1 1 372.690 4.320 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C ZINC000915187056 1120860452 /nfs/dbraw/zinc/86/04/52/1120860452.db2.gz METVIIXVWUPVOD-UHFFFAOYSA-N -1 1 373.446 4.428 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCC(F)(F)CC2)c([O-])c1 ZINC000762315672 1120867532 /nfs/dbraw/zinc/86/75/32/1120867532.db2.gz BRIMHZGAFZLULX-UHFFFAOYSA-N -1 1 370.396 4.047 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1Cl)c1ccccc1 ZINC000236451800 1120965873 /nfs/dbraw/zinc/96/58/73/1120965873.db2.gz LPERYVRKHPBTDK-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1c(F)ccc([O-])c1F ZINC001626046872 1121097911 /nfs/dbraw/zinc/09/79/11/1121097911.db2.gz QOAHTNHSXVMKKI-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(C)c1 ZINC000032097239 1121100264 /nfs/dbraw/zinc/10/02/64/1121100264.db2.gz LLPKSTLFCNESHM-UHFFFAOYSA-N -1 1 356.447 4.431 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000032585589 1121111437 /nfs/dbraw/zinc/11/14/37/1121111437.db2.gz OOSWAIMIJMWZSB-UHFFFAOYSA-N -1 1 368.188 4.396 20 0 FIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000032600058 1121111562 /nfs/dbraw/zinc/11/15/62/1121111562.db2.gz PTNUSMATNHUNBF-UHFFFAOYSA-N -1 1 365.760 4.082 20 0 FIADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000060059872 1121457323 /nfs/dbraw/zinc/45/73/23/1121457323.db2.gz KWRZDAXXMHFYLF-UHFFFAOYSA-N -1 1 359.476 4.304 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1c(F)cc(F)cc1F ZINC000060436771 1121473654 /nfs/dbraw/zinc/47/36/54/1121473654.db2.gz UTJVTRVWHRVKMM-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1C ZINC000037369306 1121572030 /nfs/dbraw/zinc/57/20/30/1121572030.db2.gz FGBXVKLZJFATHC-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1cccc2ccccc21 ZINC000328537334 1121580897 /nfs/dbraw/zinc/58/08/97/1121580897.db2.gz URGRJKOSKRBUNU-UHFFFAOYSA-N -1 1 367.348 4.381 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)cc1 ZINC000063849782 1121591023 /nfs/dbraw/zinc/59/10/23/1121591023.db2.gz AJDHLZLLNVJOKZ-ZDUSSCGKSA-N -1 1 371.462 4.359 20 0 FIADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000065139201 1121658801 /nfs/dbraw/zinc/65/88/01/1121658801.db2.gz UUNOFVVUPUKZNH-CQSZACIVSA-N -1 1 362.429 4.326 20 0 FIADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 ZINC000615226426 1121844439 /nfs/dbraw/zinc/84/44/39/1121844439.db2.gz KMIXFSITQYAYMA-UHFFFAOYSA-N -1 1 366.421 4.161 20 0 FIADMM O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1[O-] ZINC001649107568 1121844907 /nfs/dbraw/zinc/84/49/07/1121844907.db2.gz XKWRWOYOAHWSLP-UHFFFAOYSA-N -1 1 373.714 4.088 20 0 FIADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccc(F)cc1F ZINC000111668388 1121961533 /nfs/dbraw/zinc/96/15/33/1121961533.db2.gz YBNGTLBKVFNJFC-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cs1 ZINC000671810103 1122013837 /nfs/dbraw/zinc/01/38/37/1122013837.db2.gz VCCBONSRKMMBFY-UHFFFAOYSA-N -1 1 358.463 4.077 20 0 FIADMM CC(=O)Nc1ccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000186380012 1122071822 /nfs/dbraw/zinc/07/18/22/1122071822.db2.gz FNJRAYFGWDRYIG-SECBINFHSA-N -1 1 367.218 4.425 20 0 FIADMM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000917113719 1122162175 /nfs/dbraw/zinc/16/21/75/1122162175.db2.gz HNGFLTNYGZOZAO-UHFFFAOYSA-N -1 1 366.402 4.060 20 0 FIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1cccc(Cl)c1 ZINC000067659713 1122187861 /nfs/dbraw/zinc/18/78/61/1122187861.db2.gz MITADDSIRXXXMN-UHFFFAOYSA-N -1 1 364.776 4.115 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)o1 ZINC000055582449 1122254981 /nfs/dbraw/zinc/25/49/81/1122254981.db2.gz WSJMSHPXQCHELE-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000055632887 1122258332 /nfs/dbraw/zinc/25/83/32/1122258332.db2.gz ZXCOGJKTUDGNSQ-UHFFFAOYSA-N -1 1 374.506 4.058 20 0 FIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccccc1Cl ZINC000107464822 1122285585 /nfs/dbraw/zinc/28/55/85/1122285585.db2.gz WRORRYWRUJQZPK-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCc2ccc(Cl)cc2C1 ZINC000497711952 1122378467 /nfs/dbraw/zinc/37/84/67/1122378467.db2.gz VKAGCOYKZUBKQN-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000498007668 1122520972 /nfs/dbraw/zinc/52/09/72/1122520972.db2.gz CIBBJKQZFHGNCQ-UHFFFAOYSA-N -1 1 368.296 4.484 20 0 FIADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccccc1Cl ZINC000129529038 1122625689 /nfs/dbraw/zinc/62/56/89/1122625689.db2.gz BZYZZYHQTZIRRY-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001127440560 1122725058 /nfs/dbraw/zinc/72/50/58/1122725058.db2.gz IVYDZCRMNTVVBE-HWPZZCPQSA-N -1 1 373.321 4.088 20 0 FIADMM Cc1nc(S[C@@H](C)c2nc3ccccc3n2C(F)F)[n-]c(=O)c1C ZINC000556341287 1122823105 /nfs/dbraw/zinc/82/31/05/1122823105.db2.gz NRESAYAUFZDUGR-JTQLQIEISA-N -1 1 350.394 4.397 20 0 FIADMM CCOc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1C ZINC000556351772 1122834221 /nfs/dbraw/zinc/83/42/21/1122834221.db2.gz GFKFYRVEEQUXMF-UHFFFAOYSA-N -1 1 373.478 4.125 20 0 FIADMM CCC(CC)(C(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000615227353 1122869912 /nfs/dbraw/zinc/86/99/12/1122869912.db2.gz PDRABDQKCFFNGY-UHFFFAOYSA-N -1 1 356.253 4.427 20 0 FIADMM O=C(CCCc1ccc(Cl)cc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000919388883 1122983510 /nfs/dbraw/zinc/98/35/10/1122983510.db2.gz MVIMAHTWLXDABU-UHFFFAOYSA-N -1 1 372.804 4.218 20 0 FIADMM Cc1ccc(CCC(=O)Nc2c([O-])cc(Br)cc2Cl)o1 ZINC000556846928 1123132786 /nfs/dbraw/zinc/13/27/86/1123132786.db2.gz DFHMDQQFIUGFAS-UHFFFAOYSA-N -1 1 358.619 4.281 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000131945122 1123202681 /nfs/dbraw/zinc/20/26/81/1123202681.db2.gz BHBQTSGVMSVCHY-UHFFFAOYSA-N -1 1 371.380 4.185 20 0 FIADMM O=S(=O)([N-]c1ccc2scnc2c1)c1cccc(C(F)(F)F)c1 ZINC000499229305 1123346151 /nfs/dbraw/zinc/34/61/51/1123346151.db2.gz PISYSDVJXPHBJG-UHFFFAOYSA-N -1 1 358.366 4.116 20 0 FIADMM CCC/C(C)=C/C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000920289768 1123439619 /nfs/dbraw/zinc/43/96/19/1123439619.db2.gz BLTLSGCJRGQNCY-FYWRMAATSA-N -1 1 372.490 4.481 20 0 FIADMM CCC/C(C)=C\C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000920289770 1123439689 /nfs/dbraw/zinc/43/96/89/1123439689.db2.gz BLTLSGCJRGQNCY-SQFISAMPSA-N -1 1 372.490 4.481 20 0 FIADMM CCOc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1OCC ZINC000920427168 1123452079 /nfs/dbraw/zinc/45/20/79/1123452079.db2.gz NOPJMIUDSFYYMY-GFCCVEGCSA-N -1 1 363.841 4.334 20 0 FIADMM O=C([N-]Cc1ccc(OC(F)(F)F)cc1)C(F)(F)c1ccc(F)cc1 ZINC000920842000 1123527631 /nfs/dbraw/zinc/52/76/31/1123527631.db2.gz PZDKACQVADJTRY-UHFFFAOYSA-N -1 1 363.257 4.133 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(F)(F)F)nc3c2)cc1C ZINC000920926764 1123536130 /nfs/dbraw/zinc/53/61/30/1123536130.db2.gz KPWIJGMZMZILRX-UHFFFAOYSA-N -1 1 370.352 4.264 20 0 FIADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1csc(-c2ccccn2)n1 ZINC000921005862 1123553023 /nfs/dbraw/zinc/55/30/23/1123553023.db2.gz JHKVBPBHANNIIB-UHFFFAOYSA-N -1 1 371.491 4.357 20 0 FIADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccc(C(F)(F)F)cn1 ZINC000921209800 1123584527 /nfs/dbraw/zinc/58/45/27/1123584527.db2.gz QDWHMMHGRHCGOB-FPLPWBNLSA-N -1 1 362.760 4.166 20 0 FIADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135113074 1123718892 /nfs/dbraw/zinc/71/88/92/1123718892.db2.gz GHIZJSLCJKASGY-SNVBAGLBSA-N -1 1 352.203 4.127 20 0 FIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)c2C)o1 ZINC000135404223 1123750547 /nfs/dbraw/zinc/75/05/47/1123750547.db2.gz LRWJVQSICHCTAX-UHFFFAOYSA-N -1 1 365.842 4.049 20 0 FIADMM CCN(Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1)C(C)=O ZINC000078711461 1123801336 /nfs/dbraw/zinc/80/13/36/1123801336.db2.gz HZHIIQATPSSJKM-UHFFFAOYSA-N -1 1 362.429 4.166 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2sccc2C(C)C)CC1 ZINC000068453776 1124248688 /nfs/dbraw/zinc/24/86/88/1124248688.db2.gz GQUYYTWZZHLDKH-UHFFFAOYSA-N -1 1 364.540 4.165 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(Cl)ccc1Cl ZINC000180278534 1124278250 /nfs/dbraw/zinc/27/82/50/1124278250.db2.gz OEZNQLWLSYLXDQ-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc(Cl)cc(F)c1Br ZINC000670814535 1124290326 /nfs/dbraw/zinc/29/03/26/1124290326.db2.gz HHKREVXCHBSWCT-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000000629291 1124533870 /nfs/dbraw/zinc/53/38/70/1124533870.db2.gz OTLXRZNFCVCCGW-UHFFFAOYSA-N -1 1 369.471 4.172 20 0 FIADMM [O-]c1c(Br)cccc1CNc1nnc(C2CCCCC2)o1 ZINC000181630271 1125087974 /nfs/dbraw/zinc/08/79/74/1125087974.db2.gz ITYBRORGLXACET-UHFFFAOYSA-N -1 1 352.232 4.198 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3nc(C4CC4)oc3C)n2)cc1 ZINC000672947333 1125439754 /nfs/dbraw/zinc/43/97/54/1125439754.db2.gz AELXIVJCVSAXEC-UHFFFAOYSA-N -1 1 372.475 4.353 20 0 FIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2O1 ZINC000107660653 209278717 /nfs/dbraw/zinc/27/87/17/209278717.db2.gz OWQXXCDCNWNEFA-UHFFFAOYSA-N -1 1 373.352 4.014 20 0 FIADMM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000007668397 206696875 /nfs/dbraw/zinc/69/68/75/206696875.db2.gz GGWMCRNOWLPXIG-UHFFFAOYSA-N -1 1 369.870 4.083 20 0 FIADMM CN(Cc1csc(Br)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042307213 208290442 /nfs/dbraw/zinc/29/04/42/208290442.db2.gz PTJKJWCEZXQSEP-UHFFFAOYSA-N -1 1 360.660 4.142 20 0 FIADMM CCSc1nnc([N-]C(=O)c2csc(-c3ccc(C)cc3)n2)s1 ZINC000008061078 567833652 /nfs/dbraw/zinc/83/36/52/567833652.db2.gz PVFGUNBWILJQIA-UHFFFAOYSA-N -1 1 362.505 4.334 20 0 FIADMM C[C@H]1CCC[C@H](CCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000604598621 568322654 /nfs/dbraw/zinc/32/26/54/568322654.db2.gz HUHCCEAYEMHVAV-DLBZAZTESA-N -1 1 372.509 4.213 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c(C)c1C ZINC000604971481 568462746 /nfs/dbraw/zinc/46/27/46/568462746.db2.gz RVYBIKCYBUXIEB-UHFFFAOYSA-N -1 1 374.462 4.377 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000028198019 568559298 /nfs/dbraw/zinc/55/92/98/568559298.db2.gz SZIORFCEWDILEE-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM [O-]c1c(-c2nc(-c3cncc(Br)c3)no2)ccc2ccccc21 ZINC000390910653 568565883 /nfs/dbraw/zinc/56/58/83/568565883.db2.gz QBSFYCZXTUNCOK-UHFFFAOYSA-N -1 1 368.190 4.420 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000605118716 568573516 /nfs/dbraw/zinc/57/35/16/568573516.db2.gz HCRFXMOSJYWILB-UHFFFAOYSA-N -1 1 353.447 4.068 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC([C@@H]2CCCCO2)CC1 ZINC000619162485 1125505560 /nfs/dbraw/zinc/50/55/60/1125505560.db2.gz LWQCFHNBIVDPHB-SFHVURJKSA-N -1 1 374.868 4.015 20 0 FIADMM CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000022623819 1079521653 /nfs/dbraw/zinc/52/16/53/1079521653.db2.gz ACKIVLNCYDHTDU-MRXNPFEDSA-N -1 1 374.506 4.023 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000063181343 1079671845 /nfs/dbraw/zinc/67/18/45/1079671845.db2.gz ICILJNZZFDCXQW-UHFFFAOYSA-N -1 1 360.479 4.151 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(-c3ccccc3F)o2)cc1 ZINC000683171812 1079798585 /nfs/dbraw/zinc/79/85/85/1079798585.db2.gz PWIKIFOOAUXSBW-LJQANCHMSA-N -1 1 369.392 4.400 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1F)c1cccc(Br)c1 ZINC000683172645 1079808555 /nfs/dbraw/zinc/80/85/55/1079808555.db2.gz CFDAUKAHYHSWMA-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM COc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc(Cl)c1[O-] ZINC000153582707 1079810983 /nfs/dbraw/zinc/81/09/83/1079810983.db2.gz RJQVXQCUSOPCGA-INIZCTEOSA-N -1 1 360.841 4.207 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCC(F)(F)CC1 ZINC000655340505 1080169395 /nfs/dbraw/zinc/16/93/95/1080169395.db2.gz FYHKWVNTFFIZRK-SECBINFHSA-N -1 1 362.214 4.099 20 0 FIADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1Cc1ccccc1 ZINC000182865927 1080241985 /nfs/dbraw/zinc/24/19/85/1080241985.db2.gz UVMGZBJJDBRARJ-UHFFFAOYSA-N -1 1 355.825 4.105 20 0 FIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000007419374 1080454203 /nfs/dbraw/zinc/45/42/03/1080454203.db2.gz VBBTTWRYJJGKJS-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)c2ccccc12 ZINC000180192609 1080471100 /nfs/dbraw/zinc/47/11/00/1080471100.db2.gz RQHPIUDMUSTLIQ-UHFFFAOYSA-N -1 1 362.838 4.088 20 0 FIADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1coc(C2CCCC2)n1 ZINC000547784273 1080617084 /nfs/dbraw/zinc/61/70/84/1080617084.db2.gz FVVNAEXUXJKQCO-UHFFFAOYSA-N -1 1 372.425 4.166 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(c2ccc3cccnc3n2)CC1 ZINC000655266011 1081178576 /nfs/dbraw/zinc/17/85/76/1081178576.db2.gz UNKKXGGMRNNESU-UHFFFAOYSA-N -1 1 367.836 4.009 20 0 FIADMM O=C1CCCN1c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1Cl ZINC000683592810 1081186796 /nfs/dbraw/zinc/18/67/96/1081186796.db2.gz RHYKSZPGYTUECJ-UHFFFAOYSA-N -1 1 373.771 4.029 20 0 FIADMM Cc1cnc(C(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)c([O-])c1 ZINC001648884956 1081343736 /nfs/dbraw/zinc/34/37/36/1081343736.db2.gz RQYCSEICYZRMNP-IBGZPJMESA-N -1 1 362.832 4.126 20 0 FIADMM Cc1ccc(NC(=O)CCC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000047120055 1081399359 /nfs/dbraw/zinc/39/93/59/1081399359.db2.gz VHZUQXWWYSJAQN-UHFFFAOYSA-N -1 1 360.479 4.171 20 0 FIADMM Cc1ccc(NC(=O)c2ccsc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000047119274 1081399518 /nfs/dbraw/zinc/39/95/18/1081399518.db2.gz QXEBMGMYBJWVGR-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035013 1081503833 /nfs/dbraw/zinc/50/38/33/1081503833.db2.gz DTXWWBQSVABKRS-DGCLKSJQSA-N -1 1 368.264 4.012 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000027402860 1081570516 /nfs/dbraw/zinc/57/05/16/1081570516.db2.gz GJYVLVZOHXIRFI-UHFFFAOYSA-N -1 1 359.495 4.081 20 0 FIADMM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1c(F)ccc([O-])c1F ZINC000580378253 1081912274 /nfs/dbraw/zinc/91/22/74/1081912274.db2.gz BQLSLBCOORDWRU-NSHDSACASA-N -1 1 355.793 4.291 20 0 FIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(C2CC2)on1 ZINC000580394274 1081920564 /nfs/dbraw/zinc/92/05/64/1081920564.db2.gz JWKFVCVVXLDCHH-CQSZACIVSA-N -1 1 366.446 4.124 20 0 FIADMM COC(=O)c1cc(Br)c([O-])c(Nc2ccccc2SC)c1 ZINC001211066128 1081944985 /nfs/dbraw/zinc/94/49/85/1081944985.db2.gz RZKUSRBHESUXJK-UHFFFAOYSA-N -1 1 368.252 4.407 20 0 FIADMM CCc1oc(C(=O)[O-])cc1CN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000580440610 1081948325 /nfs/dbraw/zinc/94/83/25/1081948325.db2.gz JZHNDGDSBAXQNL-UHFFFAOYSA-N -1 1 371.355 4.070 20 0 FIADMM CC(=O)Nc1ccccc1CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167445373 1082308800 /nfs/dbraw/zinc/30/88/00/1082308800.db2.gz XACNBWUDKQXLIO-UHFFFAOYSA-N -1 1 368.820 4.338 20 0 FIADMM Oc1cccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1Br ZINC000656431925 1082388388 /nfs/dbraw/zinc/38/83/88/1082388388.db2.gz JLZHKTNICRQWNH-KRWDZBQOSA-N -1 1 362.267 4.118 20 0 FIADMM Oc1cccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1Br ZINC000656431926 1082388673 /nfs/dbraw/zinc/38/86/73/1082388673.db2.gz JLZHKTNICRQWNH-QGZVFWFLSA-N -1 1 362.267 4.118 20 0 FIADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000467078122 1082450974 /nfs/dbraw/zinc/45/09/74/1082450974.db2.gz GDFPWBGOBPXNCB-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM COC(=O)c1scc(-c2ccc(C)cc2)c1[N-]C(=O)c1cc(C)no1 ZINC000581494979 1082619745 /nfs/dbraw/zinc/61/97/45/1082619745.db2.gz MPZGQGMIMIRUIU-UHFFFAOYSA-N -1 1 356.403 4.059 20 0 FIADMM COc1cc(-c2noc(C=C3CCCC3)n2)cc(Br)c1[O-] ZINC000581527654 1082642470 /nfs/dbraw/zinc/64/24/70/1082642470.db2.gz SNUKGIRDXBFCSB-UHFFFAOYSA-N -1 1 351.200 4.171 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(cc[nH]c3=O)c2)cc1 ZINC000656634054 1082647516 /nfs/dbraw/zinc/64/75/16/1082647516.db2.gz NJNUVTVZOGWUGS-UHFFFAOYSA-N -1 1 370.474 4.017 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000656756538 1082751445 /nfs/dbraw/zinc/75/14/45/1082751445.db2.gz DWRACXWVSNWPBD-MNOVXSKESA-N -1 1 367.820 4.017 20 0 FIADMM O=C([O-])c1ccc(CN2CCC(c3ccco3)CC2)c(Br)c1 ZINC000656757172 1082751575 /nfs/dbraw/zinc/75/15/75/1082751575.db2.gz KZQSLXCWHDPFIP-UHFFFAOYSA-N -1 1 364.239 4.120 20 0 FIADMM Nc1c(F)c(F)c(F)cc1Nc1ccc(F)c(Br)c1[O-] ZINC001216011699 1082909261 /nfs/dbraw/zinc/90/92/61/1082909261.db2.gz SEHZTSQVBFKORC-UHFFFAOYSA-N -1 1 351.097 4.037 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)s1 ZINC000431139631 1083349632 /nfs/dbraw/zinc/34/96/32/1083349632.db2.gz PWSPPKMTDSUXPB-UHFFFAOYSA-N -1 1 353.362 4.324 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(Cl)c1 ZINC000016125000 1083358363 /nfs/dbraw/zinc/35/83/63/1083358363.db2.gz ITEQSWUPYNVQQG-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000535722729 1083602804 /nfs/dbraw/zinc/60/28/04/1083602804.db2.gz CPQLMWCJMDCOLI-OSAQELSMSA-N -1 1 352.272 4.196 20 0 FIADMM O=S(=O)([N-]c1cccc(O)c1F)c1c(Cl)ccc2ccccc21 ZINC000535765952 1083640225 /nfs/dbraw/zinc/64/02/25/1083640225.db2.gz CBVGCMKPURERLQ-UHFFFAOYSA-N -1 1 351.786 4.139 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427123233 1083697784 /nfs/dbraw/zinc/69/77/84/1083697784.db2.gz HVMRCHUPFRZHMA-UHFFFAOYSA-N -1 1 350.490 4.127 20 0 FIADMM CCCC[C@@H](CCC)NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000177289632 1083825538 /nfs/dbraw/zinc/82/55/38/1083825538.db2.gz MXLDXNQDIFYFFA-GFCCVEGCSA-N -1 1 352.529 4.144 20 0 FIADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)no1 ZINC000607806425 1083905101 /nfs/dbraw/zinc/90/51/01/1083905101.db2.gz VBMGVSSFPCWWSP-UHFFFAOYSA-N -1 1 362.842 4.396 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccccc1F)C1CC1 ZINC000215703287 1083931998 /nfs/dbraw/zinc/93/19/98/1083931998.db2.gz QYNBYIJDDNHBDL-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM CCOc1cc(C(=O)NCCSc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000215840574 1084005962 /nfs/dbraw/zinc/00/59/62/1084005962.db2.gz DAULXWKYRKJFBW-UHFFFAOYSA-N -1 1 365.882 4.275 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C(C2CCC2)C2CCC2)CC1 ZINC000376061747 1084043059 /nfs/dbraw/zinc/04/30/59/1084043059.db2.gz KZPYXZNDIWNXKE-UHFFFAOYSA-N -1 1 355.478 4.030 20 0 FIADMM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000235823205 1084050378 /nfs/dbraw/zinc/05/03/78/1084050378.db2.gz YGKUUVYILDSADD-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000548531797 1084063747 /nfs/dbraw/zinc/06/37/47/1084063747.db2.gz WFYDSVCJQSILJR-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000472016043 1084064570 /nfs/dbraw/zinc/06/45/70/1084064570.db2.gz IBTUKILVORLSSG-UHFFFAOYSA-N -1 1 369.808 4.297 20 0 FIADMM Cc1c(=O)[n-]c(SCc2cnn(C(C)(C)C)c2)nc1-c1ccccc1 ZINC000657257285 1084101325 /nfs/dbraw/zinc/10/13/25/1084101325.db2.gz ONTGPNKJDYGGHW-UHFFFAOYSA-N -1 1 354.479 4.401 20 0 FIADMM CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000613028526 1084282235 /nfs/dbraw/zinc/28/22/35/1084282235.db2.gz QJKQVKIOCZNHPR-UHFFFAOYSA-N -1 1 372.650 4.012 20 0 FIADMM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc21 ZINC000613177795 1084426037 /nfs/dbraw/zinc/42/60/37/1084426037.db2.gz NGZWNUOZTQCPHE-UHFFFAOYSA-N -1 1 354.406 4.271 20 0 FIADMM CCCCO[C@@H](C)C(=O)NC1=C(C(=O)OCC)C(C)=Nc2ccccc2[N-]1 ZINC000065530826 1084524069 /nfs/dbraw/zinc/52/40/69/1084524069.db2.gz HZRGFHAJLZVORC-AWEZNQCLSA-N -1 1 373.453 4.141 20 0 FIADMM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccco2)n[nH]1 ZINC000613341216 1084618308 /nfs/dbraw/zinc/61/83/08/1084618308.db2.gz FQIHMRKWRHYSRK-UHFFFAOYSA-N -1 1 365.220 4.333 20 0 FIADMM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000173380199 1084619494 /nfs/dbraw/zinc/61/94/94/1084619494.db2.gz UXZAPKJFBBSUOI-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000236423480 1084627524 /nfs/dbraw/zinc/62/75/24/1084627524.db2.gz CMMXKFZRSONOSL-LBPRGKRZSA-N -1 1 360.679 4.322 20 0 FIADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Br)c(Cl)c1 ZINC000236423480 1084627529 /nfs/dbraw/zinc/62/75/29/1084627529.db2.gz CMMXKFZRSONOSL-LBPRGKRZSA-N -1 1 360.679 4.322 20 0 FIADMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc2ccccc2c1[O-] ZINC000174051613 1084724271 /nfs/dbraw/zinc/72/42/71/1084724271.db2.gz AJHNZZPXQRZZPH-UHFFFAOYSA-N -1 1 366.364 4.293 20 0 FIADMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000174549035 1084787163 /nfs/dbraw/zinc/78/71/63/1084787163.db2.gz LZDLMJHROFBPFH-ZDUSSCGKSA-N -1 1 370.474 4.372 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000684855358 1084956924 /nfs/dbraw/zinc/95/69/24/1084956924.db2.gz ATTKXIQYDLUWEE-SXLOBPIMSA-N -1 1 353.462 4.091 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(OCC2CCCC2)CC1 ZINC000175624949 1084971983 /nfs/dbraw/zinc/97/19/83/1084971983.db2.gz ZYMXMNJULXGHQB-UHFFFAOYSA-N -1 1 353.462 4.357 20 0 FIADMM Cc1cccnc1[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC000684874329 1085008682 /nfs/dbraw/zinc/00/86/82/1085008682.db2.gz PKKVZLSWGAZHJK-HNNXBMFYSA-N -1 1 352.356 4.242 20 0 FIADMM Cc1csc(C2(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)CCCC2)n1 ZINC000684874584 1085010045 /nfs/dbraw/zinc/01/00/45/1085010045.db2.gz STFLYNLRDZOUNJ-UHFFFAOYSA-N -1 1 370.396 4.375 20 0 FIADMM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875312 1085014838 /nfs/dbraw/zinc/01/48/38/1085014838.db2.gz GEOYUKUMZIDBAC-SECBINFHSA-N -1 1 357.303 4.050 20 0 FIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000175969954 1085048239 /nfs/dbraw/zinc/04/82/39/1085048239.db2.gz ZCSIJSMJDZJDQH-UHFFFAOYSA-N -1 1 371.462 4.025 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000152700061 1085113872 /nfs/dbraw/zinc/11/38/72/1085113872.db2.gz MENFZMNGILZVFN-DLBZAZTESA-N -1 1 370.522 4.001 20 0 FIADMM CCc1nnc([N-]C(=O)c2cnc(-c3ccccc3Cl)s2)s1 ZINC000050257480 1085123522 /nfs/dbraw/zinc/12/35/22/1085123522.db2.gz TXSFUYPKWJWTBN-UHFFFAOYSA-N -1 1 350.856 4.130 20 0 FIADMM O=C(Nc1cc([O-])c(Br)cc1Br)C1CCCC1 ZINC000431455569 1085171120 /nfs/dbraw/zinc/17/11/20/1085171120.db2.gz CAAAZBHSISQAEL-UHFFFAOYSA-N -1 1 363.049 4.046 20 0 FIADMM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cc(Cl)c(Cl)cn1 ZINC000743048153 1085721802 /nfs/dbraw/zinc/72/18/02/1085721802.db2.gz JJLAGZLJJDBTOK-AATRIKPKSA-N -1 1 363.653 4.454 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000040446593 1085910829 /nfs/dbraw/zinc/91/08/29/1085910829.db2.gz XGHKTYHHXZECKK-UHFFFAOYSA-N -1 1 372.259 4.342 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(Cl)c2ncccc12 ZINC000582952332 1085955879 /nfs/dbraw/zinc/95/58/79/1085955879.db2.gz SSQPRZNDEXDMQL-UHFFFAOYSA-N -1 1 354.822 4.014 20 0 FIADMM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000652398876 1085993621 /nfs/dbraw/zinc/99/36/21/1085993621.db2.gz DHHCDBOZHBGEFD-UHFFFAOYSA-N -1 1 357.475 4.158 20 0 FIADMM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCCc2sccc2C1 ZINC000652410967 1086018832 /nfs/dbraw/zinc/01/88/32/1086018832.db2.gz NRRGDWGDZLGIDP-UHFFFAOYSA-N -1 1 354.431 4.050 20 0 FIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(Cl)c3)cc2)co1 ZINC000150749712 1086181047 /nfs/dbraw/zinc/18/10/47/1086181047.db2.gz ZPLSYHNFBVEFJX-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC000662213019 1086337232 /nfs/dbraw/zinc/33/72/32/1086337232.db2.gz ZNCVCSQIYMAHSG-GFCCVEGCSA-N -1 1 374.706 4.488 20 0 FIADMM CSc1ccc([O-])c(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c1 ZINC000663302940 1086388929 /nfs/dbraw/zinc/38/89/29/1086388929.db2.gz HPCBJCQWKNVSIW-UHFFFAOYSA-N -1 1 368.462 4.216 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(Br)cc1Cl)c1cccs1 ZINC000126481644 1086491915 /nfs/dbraw/zinc/49/19/15/1086491915.db2.gz DTUINSKRQXJFOP-LBPRGKRZSA-N -1 1 374.687 4.470 20 0 FIADMM COc1ccc(NC(=O)c2ccccc2[O-])cc1NC(=O)OC(C)(C)C ZINC000106150051 1086582695 /nfs/dbraw/zinc/58/26/95/1086582695.db2.gz XHHWRTBLFKAHJM-UHFFFAOYSA-N -1 1 358.394 4.000 20 0 FIADMM CC(C)c1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)on1 ZINC000583396859 1086646491 /nfs/dbraw/zinc/64/64/91/1086646491.db2.gz KWDAAEZRZRIGSL-UHFFFAOYSA-N -1 1 359.607 4.172 20 0 FIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccccc3C(C)(C)C)ccc2o1 ZINC000432375204 1086686249 /nfs/dbraw/zinc/68/62/49/1086686249.db2.gz DNBACWVFFLICDS-UHFFFAOYSA-N -1 1 374.462 4.073 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000583467667 1086713831 /nfs/dbraw/zinc/71/38/31/1086713831.db2.gz MGCYDICSNJGXCE-OAQYLSRUSA-N -1 1 357.400 4.181 20 0 FIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(C2CCC2)cc1 ZINC000279245627 1086890342 /nfs/dbraw/zinc/89/03/42/1086890342.db2.gz ULJLSGZTSLTRCO-UHFFFAOYSA-N -1 1 374.444 4.001 20 0 FIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1nc(-c2ccccc2)cs1 ZINC000536101680 1086912778 /nfs/dbraw/zinc/91/27/78/1086912778.db2.gz AICVVYYRMLLOLT-JTQLQIEISA-N -1 1 360.385 4.285 20 0 FIADMM Cc1nc(-c2ccc(N3CCC(C)(c4ccccc4)CC3)nc2)[n-]c(=O)c1C ZINC000157583212 1086949595 /nfs/dbraw/zinc/94/95/95/1086949595.db2.gz PDIGUFPZUUHJKN-UHFFFAOYSA-N -1 1 374.488 4.007 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000130964515 1086989777 /nfs/dbraw/zinc/98/97/77/1086989777.db2.gz KPQBHHUFLJVOSV-UHFFFAOYSA-N -1 1 350.374 4.323 20 0 FIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000583904105 1087023338 /nfs/dbraw/zinc/02/33/38/1087023338.db2.gz BUVIOPHMIOAEKF-AWEZNQCLSA-N -1 1 356.447 4.213 20 0 FIADMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000151504222 1087115623 /nfs/dbraw/zinc/11/56/23/1087115623.db2.gz WAYVAFUPJQEHMR-LBPRGKRZSA-N -1 1 371.462 4.015 20 0 FIADMM CC(C)(C)SCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000159084082 1087202484 /nfs/dbraw/zinc/20/24/84/1087202484.db2.gz IZRHIAQBCBQIOR-UHFFFAOYSA-N -1 1 363.523 4.125 20 0 FIADMM CC(C)C1(C)CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000565108205 1087206827 /nfs/dbraw/zinc/20/68/27/1087206827.db2.gz WJJDSRAVWCWRIE-OAHLLOKOSA-N -1 1 372.278 4.472 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000171207543 1087518101 /nfs/dbraw/zinc/51/81/01/1087518101.db2.gz DSUOKKWOPUWQTG-INIZCTEOSA-N -1 1 370.207 4.052 20 0 FIADMM Cc1nc(NC(=O)c2c(F)ccc([O-])c2F)sc1Cc1ccccc1 ZINC000685423277 1087564793 /nfs/dbraw/zinc/56/47/93/1087564793.db2.gz XDQUZBXDAAYZDG-UHFFFAOYSA-N -1 1 360.385 4.278 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccccc1OC(F)(F)F ZINC000142082114 1087602250 /nfs/dbraw/zinc/60/22/50/1087602250.db2.gz WMJXJHFBHKENOV-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM CSc1cc2c(cc1[N-]C(=O)c1cnc(-c3ccco3)s1)OCCO2 ZINC000504680145 1087775649 /nfs/dbraw/zinc/77/56/49/1087775649.db2.gz IOVLNABNBGVYKE-UHFFFAOYSA-N -1 1 374.443 4.149 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024692755 1087950528 /nfs/dbraw/zinc/95/05/28/1087950528.db2.gz ONYMNPPJSVTBMH-GFCCVEGCSA-N -1 1 356.809 4.207 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc3cnn(CC)c3c2)cc(Cl)c1[O-] ZINC000186716482 1087972686 /nfs/dbraw/zinc/97/26/86/1087972686.db2.gz YTWGHIGFQVPPEI-UHFFFAOYSA-N -1 1 359.813 4.066 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc(Cl)c1[O-] ZINC000186778249 1087989433 /nfs/dbraw/zinc/98/94/33/1087989433.db2.gz BUXMKLCOXXUWRV-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM CCOc1cc(C(=O)N[C@H](c2ncccc2C)C(C)C)cc(Cl)c1[O-] ZINC000186814031 1087995360 /nfs/dbraw/zinc/99/53/60/1087995360.db2.gz GADFMVMYLLSQRT-INIZCTEOSA-N -1 1 362.857 4.275 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc(Cl)c1[O-] ZINC000186880508 1088023528 /nfs/dbraw/zinc/02/35/28/1088023528.db2.gz IBJPPDUYJISMDW-MRXNPFEDSA-N -1 1 374.868 4.161 20 0 FIADMM O=C([N-]CCCSCc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000180783763 1088079551 /nfs/dbraw/zinc/07/95/51/1088079551.db2.gz IYIUMKFXOFEEPR-UHFFFAOYSA-N -1 1 366.455 4.173 20 0 FIADMM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc(Cl)sc1Cl ZINC000605590173 1088195477 /nfs/dbraw/zinc/19/54/77/1088195477.db2.gz WTBGZIUBXLLHKJ-UHFFFAOYSA-N -1 1 366.266 4.162 20 0 FIADMM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1cncc([O-])c1 ZINC000178853790 1088706277 /nfs/dbraw/zinc/70/62/77/1088706277.db2.gz CIUIWAHWSAIQOS-UHFFFAOYSA-N -1 1 359.307 4.120 20 0 FIADMM COc1ccc([C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)cc1 ZINC000180475720 1088774550 /nfs/dbraw/zinc/77/45/50/1088774550.db2.gz SMTAIKAOEYPOOD-ZDUSSCGKSA-N -1 1 365.351 4.049 20 0 FIADMM Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc([O-])cc3F)cc2)n1 ZINC000181857746 1088854433 /nfs/dbraw/zinc/85/44/33/1088854433.db2.gz YABGMKSCRQALKK-UHFFFAOYSA-N -1 1 369.421 4.342 20 0 FIADMM CCc1cc(=O)c2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc2[nH]1 ZINC000183308143 1088982103 /nfs/dbraw/zinc/98/21/03/1088982103.db2.gz YLXRTJNGCAGORA-UHFFFAOYSA-N -1 1 358.397 4.202 20 0 FIADMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000613667102 1089258705 /nfs/dbraw/zinc/25/87/05/1089258705.db2.gz IJBFYZIMLYXBOT-CYBMUJFWSA-N -1 1 353.447 4.210 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000613666807 1089261814 /nfs/dbraw/zinc/26/18/14/1089261814.db2.gz GVPYTOKUMZZZHJ-WBMJQRKESA-N -1 1 351.406 4.070 20 0 FIADMM CCCC[C@H](CC)CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000514791342 1089473844 /nfs/dbraw/zinc/47/38/44/1089473844.db2.gz NVQCTJMWGFWLSE-YJBOKZPZSA-N -1 1 363.498 4.294 20 0 FIADMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000515118508 1089795193 /nfs/dbraw/zinc/79/51/93/1089795193.db2.gz PKTYHTAQAXFWNJ-QMMMGPOBSA-N -1 1 368.282 4.104 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C ZINC000460834577 1090018552 /nfs/dbraw/zinc/01/85/52/1090018552.db2.gz HQCXFMIPZQKNAS-UHFFFAOYSA-N -1 1 373.396 4.218 20 0 FIADMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cc2c(s1)SCC(=O)N2 ZINC000180384413 1090197872 /nfs/dbraw/zinc/19/78/72/1090197872.db2.gz JLRSPKRIBOVTRV-DUXPYHPUSA-N -1 1 351.836 4.047 20 0 FIADMM COc1ccc(N[C@@H](C)c2oc3ccccc3c2C)cc1[N-]S(C)(=O)=O ZINC000182732035 1090370923 /nfs/dbraw/zinc/37/09/23/1090370923.db2.gz LUCSAEASRIESNH-ZDUSSCGKSA-N -1 1 374.462 4.294 20 0 FIADMM Cc1ccccc1C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185054248 1090500343 /nfs/dbraw/zinc/50/03/43/1090500343.db2.gz OMQVRVFTSSBOKW-UHFFFAOYSA-N -1 1 350.443 4.029 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)o1)c1ccc(Br)cc1 ZINC000417641245 1090952680 /nfs/dbraw/zinc/95/26/80/1090952680.db2.gz PERLHXSXUQSIPV-LKFCYVNXSA-N -1 1 372.646 4.247 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000018707138 1090968657 /nfs/dbraw/zinc/96/86/57/1090968657.db2.gz PKTMPPDBRRZVTO-UHFFFAOYSA-N -1 1 368.296 4.429 20 0 FIADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1Br ZINC001141219454 1090976095 /nfs/dbraw/zinc/97/60/95/1090976095.db2.gz ZSLDZSYBXYWFBJ-SECBINFHSA-N -1 1 370.630 4.214 20 0 FIADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1Br ZINC001141219455 1090976423 /nfs/dbraw/zinc/97/64/23/1090976423.db2.gz ZSLDZSYBXYWFBJ-VIFPVBQESA-N -1 1 370.630 4.214 20 0 FIADMM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000759779789 1091080363 /nfs/dbraw/zinc/08/03/63/1091080363.db2.gz QEQWDJMZSWZUTI-GFCCVEGCSA-N -1 1 368.861 4.021 20 0 FIADMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC(C)(C)C1 ZINC001211705681 1091961858 /nfs/dbraw/zinc/96/18/58/1091961858.db2.gz VIEMEYMWGQFYEC-NWDGAFQWSA-N -1 1 363.445 4.235 20 0 FIADMM C[C@@H](N=c1ccc(N2C[C@H](C)C[C@H]2c2cccnc2)n[n-]1)c1ccccc1 ZINC000644873210 1091967112 /nfs/dbraw/zinc/96/71/12/1091967112.db2.gz LLMHBIXJNSQQKP-HLIPFELVSA-N -1 1 359.477 4.054 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cc(C(F)(F)F)ccc2F)[n-]c1=O ZINC000432704004 1092156407 /nfs/dbraw/zinc/15/64/07/1092156407.db2.gz FJHSWLMJDRDOLZ-TWGQIWQCSA-N -1 1 370.302 4.077 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ncc(-c3ccccc3)s2)[n-]c1=O ZINC000432708813 1092158290 /nfs/dbraw/zinc/15/82/90/1092158290.db2.gz NYSBLGNYBNDWLF-XFXZXTDPSA-N -1 1 367.430 4.043 20 0 FIADMM O=S(=O)([N-]CCCc1cccc(Cl)c1)c1cc(Cl)ccc1F ZINC001211716293 1092171490 /nfs/dbraw/zinc/17/14/90/1092171490.db2.gz LHWZGCLVPZMFAD-UHFFFAOYSA-N -1 1 362.253 4.044 20 0 FIADMM CCOc1cc(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)cc(Cl)c1[O-] ZINC000432716712 1092184399 /nfs/dbraw/zinc/18/43/99/1092184399.db2.gz JENAJVZLAGBKJY-UHFFFAOYSA-N -1 1 371.824 4.395 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000028241373 1092502998 /nfs/dbraw/zinc/50/29/98/1092502998.db2.gz LYVUUIGRILKSBQ-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N(C)CCc3cccc4ccccc43)cnc2n1 ZINC000512478584 1092527765 /nfs/dbraw/zinc/52/77/65/1092527765.db2.gz HOUKNXACZWVRKI-UHFFFAOYSA-N -1 1 371.440 4.112 20 0 FIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CCc1cccc3ccccc31)c2=O ZINC000512478584 1092527775 /nfs/dbraw/zinc/52/77/75/1092527775.db2.gz HOUKNXACZWVRKI-UHFFFAOYSA-N -1 1 371.440 4.112 20 0 FIADMM Cc1nc2ccccc2nc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000028191024 1092540042 /nfs/dbraw/zinc/54/00/42/1092540042.db2.gz PCRJRPZSEHNSJR-UHFFFAOYSA-N -1 1 350.399 4.043 20 0 FIADMM Cc1cccc(Oc2ccccc2C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000442300610 1092560866 /nfs/dbraw/zinc/56/08/66/1092560866.db2.gz SLWXENSGDREPHL-UHFFFAOYSA-N -1 1 362.311 4.177 20 0 FIADMM CCOc1cc(C(=O)NCc2c(C)c3ccccc3n2C)cc(Cl)c1[O-] ZINC000473256469 1092678862 /nfs/dbraw/zinc/67/88/62/1092678862.db2.gz FRGGDUIESFQGAH-UHFFFAOYSA-N -1 1 372.852 4.174 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)CCc3nc4ccccc4s3)[nH][n-]2)s1 ZINC000500861890 1092721808 /nfs/dbraw/zinc/72/18/08/1092721808.db2.gz PGUJPTVBBYQRRI-UHFFFAOYSA-N -1 1 368.487 4.050 20 0 FIADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000534271673 1092827081 /nfs/dbraw/zinc/82/70/81/1092827081.db2.gz SJBAPUKNAHSINR-CYBMUJFWSA-N -1 1 374.156 4.188 20 0 FIADMM CCOc1ccccc1[C@H](CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442951566 1092870880 /nfs/dbraw/zinc/87/08/80/1092870880.db2.gz HQXZIHBEXLEQMH-HNNXBMFYSA-N -1 1 363.841 4.334 20 0 FIADMM COc1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)cc(Cl)c1[O-] ZINC000442939913 1092875411 /nfs/dbraw/zinc/87/54/11/1092875411.db2.gz DTNGYJMISASSNF-UHFFFAOYSA-N -1 1 363.816 4.045 20 0 FIADMM COc1cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000442945009 1092878731 /nfs/dbraw/zinc/87/87/31/1092878731.db2.gz PFUWIGVHIRTUIF-ZBFHGGJFSA-N -1 1 359.853 4.195 20 0 FIADMM COc1cc(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc(Cl)c1[O-] ZINC000442975915 1092882839 /nfs/dbraw/zinc/88/28/39/1092882839.db2.gz SBPRBOUHHQZDCN-UHFFFAOYSA-N -1 1 370.792 4.494 20 0 FIADMM CSc1ccccc1[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000442960162 1092886005 /nfs/dbraw/zinc/88/60/05/1092886005.db2.gz BTAVZQIDZUHVHU-JTQLQIEISA-N -1 1 366.280 4.368 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000442967364 1092894204 /nfs/dbraw/zinc/89/42/04/1092894204.db2.gz PYRZMSFCEWSCPQ-SMDDNHRTSA-N -1 1 363.816 4.212 20 0 FIADMM CCCN(CCc1cccc(F)c1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442983049 1092905485 /nfs/dbraw/zinc/90/54/85/1092905485.db2.gz ZUNJQQLNKZFXCB-UHFFFAOYSA-N -1 1 365.832 4.288 20 0 FIADMM COc1cc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)ccc1O ZINC000614111767 1092938229 /nfs/dbraw/zinc/93/82/29/1092938229.db2.gz ISPJKCGIUHDFLR-UHFFFAOYSA-N -1 1 368.389 4.172 20 0 FIADMM Cc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)cc1 ZINC000614112404 1092939758 /nfs/dbraw/zinc/93/97/58/1092939758.db2.gz IFPVXPONRIJCNL-UHFFFAOYSA-N -1 1 362.410 4.356 20 0 FIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CCCc2cccnc21 ZINC000443122496 1092954027 /nfs/dbraw/zinc/95/40/27/1092954027.db2.gz HDZVUKODUORZQU-INIZCTEOSA-N -1 1 374.868 4.379 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)ccc1OC(C)C ZINC000521900950 1092963015 /nfs/dbraw/zinc/96/30/15/1092963015.db2.gz HTTZAKIOVPVRPX-UHFFFAOYSA-N -1 1 374.506 4.183 20 0 FIADMM Cc1ccc(Cc2cnc(NC(=O)c3cncc([O-])c3)s2)cc1Cl ZINC000521914788 1092976589 /nfs/dbraw/zinc/97/65/89/1092976589.db2.gz SJOSPNVUXXEMBD-UHFFFAOYSA-N -1 1 359.838 4.049 20 0 FIADMM COc1cc(-c2nc(-c3ccccc3OC(F)F)no2)cc(Cl)c1[O-] ZINC000443214922 1092993418 /nfs/dbraw/zinc/99/34/18/1092993418.db2.gz PAQOHIDXDLZDLL-UHFFFAOYSA-N -1 1 368.723 4.373 20 0 FIADMM COc1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)cc(Cl)c1[O-] ZINC000443269560 1093022915 /nfs/dbraw/zinc/02/29/15/1093022915.db2.gz HDLQRAIKXSCHFZ-UHFFFAOYSA-N -1 1 371.824 4.015 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cc(Cl)c1[O-] ZINC000443281851 1093032415 /nfs/dbraw/zinc/03/24/15/1093032415.db2.gz HGZHDYHCPSHMTQ-UKRRQHHQSA-N -1 1 359.853 4.148 20 0 FIADMM COc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cc(Cl)c1[O-] ZINC000443299640 1093034460 /nfs/dbraw/zinc/03/44/60/1093034460.db2.gz WMICPNAHWCMODN-BDJLRTHQSA-N -1 1 363.816 4.417 20 0 FIADMM COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443289792 1093035939 /nfs/dbraw/zinc/03/59/39/1093035939.db2.gz NWLNOOOWXSGJSI-MWLCHTKSSA-N -1 1 365.779 4.153 20 0 FIADMM COC(=O)[C@H](NCc1cccc([O-])c1Cl)c1ccc2ccccc2c1 ZINC000512697118 1093150259 /nfs/dbraw/zinc/15/02/59/1093150259.db2.gz MXBJJUCAGXUBII-LJQANCHMSA-N -1 1 355.821 4.203 20 0 FIADMM O=S(=O)([N-]C1CCC2(CC2)CC1)c1ccc(Cl)c(F)c1Cl ZINC001211769137 1093267421 /nfs/dbraw/zinc/26/74/21/1093267421.db2.gz GJUGFKBJSQUVJW-UHFFFAOYSA-N -1 1 352.258 4.134 20 0 FIADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cccc1C(=O)Nc1ccccc1 ZINC000094073497 1093290104 /nfs/dbraw/zinc/29/01/04/1093290104.db2.gz YIUIKAUSMAJECV-UHFFFAOYSA-N -1 1 364.376 4.344 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1C ZINC000509622660 1093304202 /nfs/dbraw/zinc/30/42/02/1093304202.db2.gz SRYUGBNDGOFOFQ-UHFFFAOYSA-N -1 1 365.454 4.335 20 0 FIADMM CC(=O)c1c(C)[nH]c(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1C(C)C ZINC000512800276 1093365885 /nfs/dbraw/zinc/36/58/85/1093365885.db2.gz ZIVLZQYZXVZOTB-UHFFFAOYSA-N -1 1 370.478 4.083 20 0 FIADMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429887664 1093426310 /nfs/dbraw/zinc/42/63/10/1093426310.db2.gz DWEADPIMUUOLRY-QMMMGPOBSA-N -1 1 350.189 4.003 20 0 FIADMM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1cc(Cl)sc1Cl ZINC000033635381 1093501201 /nfs/dbraw/zinc/50/12/01/1093501201.db2.gz LJSDHELXGCDEMI-UHFFFAOYSA-N -1 1 374.673 4.326 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(-c2ccc(F)cc2)on1 ZINC000474255019 1093620995 /nfs/dbraw/zinc/62/09/95/1093620995.db2.gz AEYRWOKUPXRIIV-UHFFFAOYSA-N -1 1 366.377 4.252 20 0 FIADMM N#CC(=C([O-])C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000190933746 1093822250 /nfs/dbraw/zinc/82/22/50/1093822250.db2.gz WHWLTZGQCZLBCO-FVNWOWOISA-N -1 1 350.381 4.068 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1OC(F)F ZINC000513384037 1094097417 /nfs/dbraw/zinc/09/74/17/1094097417.db2.gz MJXIAPZHPZOZKB-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1[O-] ZINC000116101292 1094396913 /nfs/dbraw/zinc/39/69/13/1094396913.db2.gz VURRNVUXEBXUJC-AREMUKBSSA-N -1 1 365.454 4.093 20 0 FIADMM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1cncc([O-])c1 ZINC000501405720 1094697466 /nfs/dbraw/zinc/69/74/66/1094697466.db2.gz JVYHVIIAQGVWTB-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000017823750 1094731646 /nfs/dbraw/zinc/73/16/46/1094731646.db2.gz QMSRUOJKDZSFIX-QGZVFWFLSA-N -1 1 374.440 4.036 20 0 FIADMM CCOc1cc(-c2nc([C@H](C)OCC(F)(F)F)no2)cc(Cl)c1[O-] ZINC000896610745 1094807160 /nfs/dbraw/zinc/80/71/60/1094807160.db2.gz JGQAMBMKTYPCJH-ZETCQYMHSA-N -1 1 366.723 4.134 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000502007935 1095049802 /nfs/dbraw/zinc/04/98/02/1095049802.db2.gz HFTHICHNPCLJKQ-UHFFFAOYSA-N -1 1 354.431 4.328 20 0 FIADMM C[C@@]1(Cc2ccc(F)cc2)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000420933499 1095175739 /nfs/dbraw/zinc/17/57/39/1095175739.db2.gz WBWFXTJJIWXKLG-IBGZPJMESA-N -1 1 357.454 4.133 20 0 FIADMM Cc1ccc(Nc2nnc(SCC(=O)c3ccc([O-])cc3)s2)cc1 ZINC000015813324 1095471435 /nfs/dbraw/zinc/47/14/35/1095471435.db2.gz IHMYSVSWMSLKOX-UHFFFAOYSA-N -1 1 357.460 4.271 20 0 FIADMM CSc1cccnc1[N-]C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000652875980 1095520279 /nfs/dbraw/zinc/52/02/79/1095520279.db2.gz DXKXHAJDMLQKRO-UHFFFAOYSA-N -1 1 367.478 4.068 20 0 FIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000281696009 1095677357 /nfs/dbraw/zinc/67/73/57/1095677357.db2.gz GNZPGCRJVDAKKZ-HNNXBMFYSA-N -1 1 371.506 4.046 20 0 FIADMM COc1ccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[n-]c(=O)c2c1 ZINC000503454635 1096408643 /nfs/dbraw/zinc/40/86/43/1096408643.db2.gz OXMSXDZXDOSGRB-UHFFFAOYSA-N -1 1 368.396 4.142 20 0 FIADMM CCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000032064863 1096504705 /nfs/dbraw/zinc/50/47/05/1096504705.db2.gz ZIXFIARCWSRBFB-MRXNPFEDSA-N -1 1 374.506 4.056 20 0 FIADMM Cc1oc(CN2CCC(c3nc4ccccc4s3)CC2)cc1C(=O)[O-] ZINC000515489309 1098641104 /nfs/dbraw/zinc/64/11/04/1098641104.db2.gz BFOGGTYQCVPOHP-UHFFFAOYSA-N -1 1 356.447 4.276 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2SC)c(C)c1 ZINC000436017444 1098659925 /nfs/dbraw/zinc/65/99/25/1098659925.db2.gz YIXOFUPASKJJLX-UHFFFAOYSA-N -1 1 351.493 4.307 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)cs1 ZINC000515625823 1098773278 /nfs/dbraw/zinc/77/32/78/1098773278.db2.gz HDMJZCWIEASKFK-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1F ZINC000515631992 1098779031 /nfs/dbraw/zinc/77/90/31/1098779031.db2.gz LEWJNLPQYLSEDV-UHFFFAOYSA-N -1 1 357.406 4.302 20 0 FIADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)c(Br)c2)C1 ZINC000137274973 1098780412 /nfs/dbraw/zinc/78/04/12/1098780412.db2.gz WJVXCZVWMMBJSX-HNNXBMFYSA-N -1 1 360.679 4.179 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000436171580 1098788894 /nfs/dbraw/zinc/78/88/94/1098788894.db2.gz LXOTZSQWVRWFHA-UHFFFAOYSA-N -1 1 356.447 4.116 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)n1 ZINC000436206277 1098814480 /nfs/dbraw/zinc/81/44/80/1098814480.db2.gz QBETUKWLKQFXDE-ZDUSSCGKSA-N -1 1 373.261 4.058 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000436513331 1099072634 /nfs/dbraw/zinc/07/26/34/1099072634.db2.gz MNHHYTPRUFRTPA-OAHLLOKOSA-N -1 1 367.832 4.492 20 0 FIADMM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc2ccccc2cc1[O-] ZINC000436521056 1099078624 /nfs/dbraw/zinc/07/86/24/1099078624.db2.gz KMIJJNYMRWCYEA-IBGZPJMESA-N -1 1 363.413 4.356 20 0 FIADMM Cc1ccc(-n2ncc(NC(=O)c3ccc([O-])cc3F)c2C(C)C)cc1 ZINC000436532844 1099086910 /nfs/dbraw/zinc/08/69/10/1099086910.db2.gz IAUJQDVHMJMXKO-UHFFFAOYSA-N -1 1 353.397 4.401 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)c([O-])c1 ZINC000436546812 1099093863 /nfs/dbraw/zinc/09/38/63/1099093863.db2.gz QWHHOJKRMCIKFW-UHFFFAOYSA-N -1 1 373.424 4.465 20 0 FIADMM Cc1noc(COc2ccc(NC(=O)c3ccc(C(C)C)cc3[O-])cc2)n1 ZINC000436548956 1099095348 /nfs/dbraw/zinc/09/53/48/1099095348.db2.gz DKHZNPWGZXTSAS-UHFFFAOYSA-N -1 1 367.405 4.038 20 0 FIADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549231 1099096536 /nfs/dbraw/zinc/09/65/36/1099096536.db2.gz UJDVQVBVRFWYAP-JSGCOSHPSA-N -1 1 360.251 4.173 20 0 FIADMM COCCOc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000436550241 1099097265 /nfs/dbraw/zinc/09/72/65/1099097265.db2.gz RROSMQDGZDCNBT-UHFFFAOYSA-N -1 1 351.402 4.131 20 0 FIADMM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436551500 1099098916 /nfs/dbraw/zinc/09/89/16/1099098916.db2.gz ZVEQWFKFLKOCSG-DIFFPNOSSA-N -1 1 366.244 4.301 20 0 FIADMM CC(=O)N1CCCc2cc(NC(=O)c3ccc(C(C)C)cc3[O-])ccc21 ZINC000436543249 1099110420 /nfs/dbraw/zinc/11/04/20/1099110420.db2.gz KVGNFYNOIFLTKI-UHFFFAOYSA-N -1 1 352.434 4.067 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436596116 1099128580 /nfs/dbraw/zinc/12/85/80/1099128580.db2.gz KZZIKHUQPWZDCI-HXUWFJFHSA-N -1 1 374.440 4.097 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436580281 1099130943 /nfs/dbraw/zinc/13/09/43/1099130943.db2.gz BRDJHKGDNJDHNW-HNNXBMFYSA-N -1 1 359.788 4.038 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000436582626 1099132520 /nfs/dbraw/zinc/13/25/20/1099132520.db2.gz IRZSGRFQLVNETA-HXUWFJFHSA-N -1 1 361.441 4.019 20 0 FIADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000436588870 1099135462 /nfs/dbraw/zinc/13/54/62/1099135462.db2.gz IXGYTMWGIKYOFV-SPLOXXLWSA-N -1 1 365.404 4.287 20 0 FIADMM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436608253 1099142646 /nfs/dbraw/zinc/14/26/46/1099142646.db2.gz PTECZBNCKZRIHX-SFHVURJKSA-N -1 1 367.342 4.354 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000436612811 1099146354 /nfs/dbraw/zinc/14/63/54/1099146354.db2.gz YWUFKTUBNKLGGB-KRWDZBQOSA-N -1 1 371.440 4.200 20 0 FIADMM COc1cc(F)c([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])cc1OC ZINC000436646421 1099188544 /nfs/dbraw/zinc/18/85/44/1099188544.db2.gz GAJXJRQWUPVAIP-LBPRGKRZSA-N -1 1 369.392 4.193 20 0 FIADMM CC(C)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000436666964 1099196350 /nfs/dbraw/zinc/19/63/50/1099196350.db2.gz SDJRLXNXTCFEIZ-MRXNPFEDSA-N -1 1 365.351 4.107 20 0 FIADMM Cc1cccc(C2=CCN(C(=O)c3ccc(Br)cc3[O-])CC2)c1 ZINC000436706977 1099238806 /nfs/dbraw/zinc/23/88/06/1099238806.db2.gz QYPARZYTCRMMTG-UHFFFAOYSA-N -1 1 372.262 4.393 20 0 FIADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000436714786 1099245053 /nfs/dbraw/zinc/24/50/53/1099245053.db2.gz VDUAZDYXOOVNIY-JSGCOSHPSA-N -1 1 360.251 4.173 20 0 FIADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436746079 1099265655 /nfs/dbraw/zinc/26/56/55/1099265655.db2.gz CYVCILHYSUNYSA-UHFFFAOYSA-N -1 1 357.356 4.419 20 0 FIADMM CCOc1cccc(-c2cccc(NC(=O)c3ccc([O-])cc3F)n2)c1 ZINC000436729343 1099267384 /nfs/dbraw/zinc/26/73/84/1099267384.db2.gz ARJDAIDVKLODSV-UHFFFAOYSA-N -1 1 352.365 4.244 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)c([O-])c1 ZINC000436758371 1099273361 /nfs/dbraw/zinc/27/33/61/1099273361.db2.gz XCGPQFMRQCXGRQ-UHFFFAOYSA-N -1 1 368.462 4.048 20 0 FIADMM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc2ccccc2c1[O-] ZINC000436759011 1099273653 /nfs/dbraw/zinc/27/36/53/1099273653.db2.gz QEAIZSRDHQFRGP-UHFFFAOYSA-N -1 1 355.777 4.222 20 0 FIADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436761246 1099276901 /nfs/dbraw/zinc/27/69/01/1099276901.db2.gz XFWZPSRQXDCPTM-SECBINFHSA-N -1 1 370.193 4.266 20 0 FIADMM Cc1cnc([C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C2CC2)s1 ZINC000436750579 1099284177 /nfs/dbraw/zinc/28/41/77/1099284177.db2.gz GWQOICDJMYABNT-CYBMUJFWSA-N -1 1 356.369 4.057 20 0 FIADMM COc1ccccc1Oc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436766123 1099307172 /nfs/dbraw/zinc/30/71/72/1099307172.db2.gz QVXUEMBHUVSAGQ-UHFFFAOYSA-N -1 1 363.369 4.015 20 0 FIADMM Cc1ccc(C)n1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436768301 1099309546 /nfs/dbraw/zinc/30/95/46/1099309546.db2.gz ISLVTHLTWUDJSJ-UHFFFAOYSA-N -1 1 366.383 4.307 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(C)o3)n2)cc(Br)c1[O-] ZINC000436768983 1099310286 /nfs/dbraw/zinc/31/02/86/1099310286.db2.gz KCVKWIKLRKLNIZ-UHFFFAOYSA-N -1 1 365.183 4.172 20 0 FIADMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000436784831 1099316493 /nfs/dbraw/zinc/31/64/93/1099316493.db2.gz YSZQOKKCKRPKGW-NSHDSACASA-N -1 1 368.296 4.310 20 0 FIADMM O=C(Nc1nc(CC(F)(F)F)cs1)c1cc2ccccc2cc1[O-] ZINC000436793480 1099325779 /nfs/dbraw/zinc/32/57/79/1099325779.db2.gz RLZVHDDDMXYBHX-UHFFFAOYSA-N -1 1 352.337 4.359 20 0 FIADMM CO[C@H](C)c1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436795055 1099326306 /nfs/dbraw/zinc/32/63/06/1099326306.db2.gz XHQPYKHFVMLCIS-SNVBAGLBSA-N -1 1 350.212 4.114 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000068435212 1099327402 /nfs/dbraw/zinc/32/74/02/1099327402.db2.gz HDJKEKSNRAMREN-UHFFFAOYSA-N -1 1 369.494 4.023 20 0 FIADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436817211 1099329357 /nfs/dbraw/zinc/32/93/57/1099329357.db2.gz GUZOVUPYBNKHPE-RAXLEYEMSA-N -1 1 360.251 4.330 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCSC[C@H]1c1ccccc1 ZINC000436808507 1099335616 /nfs/dbraw/zinc/33/56/16/1099335616.db2.gz PIDSVQPCRVMMKN-HNNXBMFYSA-N -1 1 367.392 4.341 20 0 FIADMM CCc1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cnn1CCC(C)C ZINC000436812841 1099337975 /nfs/dbraw/zinc/33/79/75/1099337975.db2.gz NVBLZTPPVCQUJZ-UHFFFAOYSA-N -1 1 365.861 4.112 20 0 FIADMM CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)no1 ZINC000436815807 1099341011 /nfs/dbraw/zinc/34/10/11/1099341011.db2.gz YKISOWZYIFRHDY-UHFFFAOYSA-N -1 1 369.396 4.422 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](OCc2ccccc2F)C1 ZINC000436829922 1099341103 /nfs/dbraw/zinc/34/11/03/1099341103.db2.gz BRFDLHNSAMTOKL-HNNXBMFYSA-N -1 1 363.816 4.006 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436831426 1099342393 /nfs/dbraw/zinc/34/23/93/1099342393.db2.gz GDKJARLJRTVLGK-LBPRGKRZSA-N -1 1 353.315 4.180 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436831425 1099342785 /nfs/dbraw/zinc/34/27/85/1099342785.db2.gz GDKJARLJRTVLGK-GFCCVEGCSA-N -1 1 353.315 4.180 20 0 FIADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(Br)cc1[O-] ZINC000436819615 1099347467 /nfs/dbraw/zinc/34/74/67/1099347467.db2.gz DONUYIINVVLUBK-QMMMGPOBSA-N -1 1 354.166 4.006 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](OCc2ccccc2F)C1 ZINC000436825623 1099352006 /nfs/dbraw/zinc/35/20/06/1099352006.db2.gz DWTNKNRETIPWPX-HNNXBMFYSA-N -1 1 363.816 4.006 20 0 FIADMM CC1(c2nc3ccccc3s2)CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000436841834 1099359874 /nfs/dbraw/zinc/35/98/74/1099359874.db2.gz BDVYZRGIODFONM-UHFFFAOYSA-N -1 1 370.449 4.335 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436859788 1099371004 /nfs/dbraw/zinc/37/10/04/1099371004.db2.gz LRGDSYLLCLTYQL-IBGZPJMESA-N -1 1 365.816 4.134 20 0 FIADMM O=S(=O)([N-][C@H]1CCCCC12CCCC2)c1cc2cc(F)ccc2o1 ZINC001212014880 1099377407 /nfs/dbraw/zinc/37/74/07/1099377407.db2.gz KRWUFEGEMJNVLV-INIZCTEOSA-N -1 1 351.443 4.353 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccn(Cc4ccccc4)n3)n2)c(Cl)c1 ZINC000436867923 1099377853 /nfs/dbraw/zinc/37/78/53/1099377853.db2.gz GBAZUIIEOPMDTR-UHFFFAOYSA-N -1 1 352.781 4.007 20 0 FIADMM CCOc1cc(-c2noc([C@@H](c3ccccc3)N(C)C)n2)cc(Cl)c1[O-] ZINC000436869335 1099379613 /nfs/dbraw/zinc/37/96/13/1099379613.db2.gz CTPMZUQBVUCFSJ-MRXNPFEDSA-N -1 1 373.840 4.145 20 0 FIADMM CC(C)(C)c1nnc2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cn21 ZINC000436872195 1099383529 /nfs/dbraw/zinc/38/35/29/1099383529.db2.gz LQFGYXCXAHFANW-UHFFFAOYSA-N -1 1 369.812 4.103 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CC(=O)c4ccccc43)n2)cc(Cl)c1[O-] ZINC000436873573 1099386425 /nfs/dbraw/zinc/38/64/25/1099386425.db2.gz QGMBIHTWBYQVJC-ZDUSSCGKSA-N -1 1 370.792 4.213 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000436895098 1099390556 /nfs/dbraw/zinc/39/05/56/1099390556.db2.gz VOSJYULBTXREQW-UHFFFAOYSA-N -1 1 363.295 4.086 20 0 FIADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436895106 1099390581 /nfs/dbraw/zinc/39/05/81/1099390581.db2.gz VOSSJXMASGUKAF-IUODEOHRSA-N -1 1 360.251 4.173 20 0 FIADMM CCOc1cc(-c2noc(Cc3cccc(COC)c3)n2)cc(Cl)c1[O-] ZINC000436878934 1099394699 /nfs/dbraw/zinc/39/46/99/1099394699.db2.gz VVTDOSZUBOQBSC-UHFFFAOYSA-N -1 1 374.824 4.232 20 0 FIADMM CCc1occc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436878561 1099395513 /nfs/dbraw/zinc/39/55/13/1099395513.db2.gz JXRXHOJWHGDKFG-UHFFFAOYSA-N -1 1 365.183 4.036 20 0 FIADMM Cc1cc(C)c(-c2csc(NC(=O)C(=O)c3ccc([O-])cc3)n2)cc1C ZINC000436880767 1099396624 /nfs/dbraw/zinc/39/66/24/1099396624.db2.gz LHUJBXNTUWFVPN-UHFFFAOYSA-N -1 1 366.442 4.262 20 0 FIADMM CCN(C(=O)c1cc(Br)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000436886308 1099402446 /nfs/dbraw/zinc/40/24/46/1099402446.db2.gz MIICYRKYIQCVEY-UHFFFAOYSA-N -1 1 359.223 4.303 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(OC(F)(F)F)cc2)no1 ZINC000436891352 1099407919 /nfs/dbraw/zinc/40/79/19/1099407919.db2.gz XHFLGJZFWRJOLL-UHFFFAOYSA-N -1 1 354.259 4.071 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Br)ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000629374455 1099417546 /nfs/dbraw/zinc/41/75/46/1099417546.db2.gz SIOJFAOFNDSZDM-NFAWXSAZSA-N -1 1 372.690 4.178 20 0 FIADMM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436909501 1099418648 /nfs/dbraw/zinc/41/86/48/1099418648.db2.gz YYADLIWVFLUNHK-SFHVURJKSA-N -1 1 365.454 4.045 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CC2(CCC2)c2ccccc21 ZINC000436895895 1099421941 /nfs/dbraw/zinc/42/19/41/1099421941.db2.gz WAHOBVXBZKRLMH-UHFFFAOYSA-N -1 1 358.235 4.237 20 0 FIADMM C[C@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1 ZINC000436917283 1099431260 /nfs/dbraw/zinc/43/12/60/1099431260.db2.gz XBMRTGMPKUOZSI-SNVBAGLBSA-N -1 1 374.803 4.102 20 0 FIADMM C[C@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(F)cc1 ZINC000436917283 1099431267 /nfs/dbraw/zinc/43/12/67/1099431267.db2.gz XBMRTGMPKUOZSI-SNVBAGLBSA-N -1 1 374.803 4.102 20 0 FIADMM O=C(CC/C=C\c1ccccc1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436914577 1099431593 /nfs/dbraw/zinc/43/15/93/1099431593.db2.gz KBORUPFDEWXWMZ-YWEYNIOJSA-N -1 1 368.824 4.263 20 0 FIADMM O=C(CC/C=C\c1ccccc1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436914577 1099431597 /nfs/dbraw/zinc/43/15/97/1099431597.db2.gz KBORUPFDEWXWMZ-YWEYNIOJSA-N -1 1 368.824 4.263 20 0 FIADMM O=C(N[C@H](CCc1ccccc1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436951396 1099444861 /nfs/dbraw/zinc/44/48/61/1099444861.db2.gz RQJWJVNGBRHKIE-OAQYLSRUSA-N -1 1 359.425 4.065 20 0 FIADMM CC[C@H](C)Oc1ccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1 ZINC000436943466 1099456150 /nfs/dbraw/zinc/45/61/50/1099456150.db2.gz ZGWUOLVFNFVKPB-LBPRGKRZSA-N -1 1 367.405 4.245 20 0 FIADMM CC[C@@H](C)Oc1ccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1 ZINC000436943465 1099456566 /nfs/dbraw/zinc/45/65/66/1099456566.db2.gz ZGWUOLVFNFVKPB-GFCCVEGCSA-N -1 1 367.405 4.245 20 0 FIADMM CC(C)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000436968097 1099465651 /nfs/dbraw/zinc/46/56/51/1099465651.db2.gz UWMNHUOKPNPSSS-MRXNPFEDSA-N -1 1 365.351 4.107 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3CCN(c4ccccc4Cl)C3)n2)c(F)c1 ZINC000436957374 1099473633 /nfs/dbraw/zinc/47/36/33/1099473633.db2.gz XFQUBZPRGIQIJH-LLVKDONJSA-N -1 1 359.788 4.229 20 0 FIADMM CO[C@@H](C)c1nc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)cs1 ZINC000436957005 1099474156 /nfs/dbraw/zinc/47/41/56/1099474156.db2.gz VFNIZUVUOHFYGH-NSHDSACASA-N -1 1 367.430 4.350 20 0 FIADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436980719 1099488507 /nfs/dbraw/zinc/48/85/07/1099488507.db2.gz ORQYUQYBNBMBCE-KBPBESRZSA-N -1 1 374.278 4.481 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000436992611 1099497267 /nfs/dbraw/zinc/49/72/67/1099497267.db2.gz XJKKIPPOYIKHLJ-SFHVURJKSA-N -1 1 365.408 4.289 20 0 FIADMM O=C(c1ccccc1[O-])N1CC2(CCC2)c2cc(Br)ccc21 ZINC000437007075 1099510910 /nfs/dbraw/zinc/51/09/10/1099510910.db2.gz YZDWGHXGTSXUMJ-UHFFFAOYSA-N -1 1 358.235 4.237 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000516716628 1099750283 /nfs/dbraw/zinc/75/02/83/1099750283.db2.gz FKBBHDRVIJWWLY-IRXDYDNUSA-N -1 1 367.493 4.102 20 0 FIADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000263371075 1099784476 /nfs/dbraw/zinc/78/44/76/1099784476.db2.gz VJNLXPDIQFSIMD-AAEUAGOBSA-N -1 1 350.871 4.006 20 0 FIADMM C[C@H](CN(C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1)C(=O)[O-] ZINC000263523401 1099800120 /nfs/dbraw/zinc/80/01/20/1099800120.db2.gz SCASJSKQHQBJRD-SECBINFHSA-N -1 1 359.278 4.269 20 0 FIADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc(Cl)c1[O-] ZINC000437327952 1099808824 /nfs/dbraw/zinc/80/88/24/1099808824.db2.gz BAQXNYWWOAIOML-NOZJJQNGSA-N -1 1 370.207 4.133 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c2cccnc2c1C ZINC000437336017 1099816732 /nfs/dbraw/zinc/81/67/32/1099816732.db2.gz XOCNELDTEVNXLT-UHFFFAOYSA-N -1 1 352.459 4.141 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3ncoc3C3CC3)n2)cc1 ZINC000516951144 1099954211 /nfs/dbraw/zinc/95/42/11/1099954211.db2.gz ZMKZTOUDBOMPMM-UHFFFAOYSA-N -1 1 358.448 4.045 20 0 FIADMM COc1cc(C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc(Cl)c1[O-] ZINC000437505498 1099969019 /nfs/dbraw/zinc/96/90/19/1099969019.db2.gz YDDXBDBHXXWTIA-YPFXGUDJSA-N -1 1 367.779 4.008 20 0 FIADMM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000438156259 1100460623 /nfs/dbraw/zinc/46/06/23/1100460623.db2.gz ORCYVKUWSPSMOV-SECBINFHSA-N -1 1 359.731 4.470 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1Cl ZINC000517593720 1100507986 /nfs/dbraw/zinc/50/79/86/1100507986.db2.gz AXQHWWYXHJGLCC-UHFFFAOYSA-N -1 1 357.884 4.012 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)c1 ZINC000517615176 1100546578 /nfs/dbraw/zinc/54/65/78/1100546578.db2.gz UDHMJKZROYMURO-UHFFFAOYSA-N -1 1 372.490 4.070 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000517614300 1100547555 /nfs/dbraw/zinc/54/75/55/1100547555.db2.gz FGNMYGROQVXKSC-UHFFFAOYSA-N -1 1 372.412 4.135 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cccnc1C(F)(F)F ZINC000517775352 1100654958 /nfs/dbraw/zinc/65/49/58/1100654958.db2.gz WGTYZOGZPGMRIA-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CCOc1cc(C(=O)N[C@H](CC(F)(F)F)C(C)C)cc(Cl)c1[O-] ZINC000438623448 1100808632 /nfs/dbraw/zinc/80/86/32/1100808632.db2.gz XDGNRUZNZRQSMK-LLVKDONJSA-N -1 1 353.768 4.151 20 0 FIADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438767924 1100905642 /nfs/dbraw/zinc/90/56/42/1100905642.db2.gz BYYGVQHCRGJYGD-CQSZACIVSA-N -1 1 361.463 4.034 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1 ZINC000438796969 1100924373 /nfs/dbraw/zinc/92/43/73/1100924373.db2.gz SEPLCUQVKGPQEM-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438809455 1100932524 /nfs/dbraw/zinc/93/25/24/1100932524.db2.gz HVXLIUYBQSMNPE-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(OCC2CC2)c(F)c1 ZINC000438879841 1101007461 /nfs/dbraw/zinc/00/74/61/1101007461.db2.gz HCZGDJSMJHQUHA-SNVBAGLBSA-N -1 1 365.351 4.089 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2ccc(Cl)cc2n1 ZINC000438988802 1101067576 /nfs/dbraw/zinc/06/75/76/1101067576.db2.gz DKGNHJJWPDOTDZ-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000439066347 1101131596 /nfs/dbraw/zinc/13/15/96/1101131596.db2.gz DRYZBFQMPQVZKW-CYBMUJFWSA-N -1 1 353.397 4.129 20 0 FIADMM CCN(CC)C(=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000023464938 1101595438 /nfs/dbraw/zinc/59/54/38/1101595438.db2.gz HHWXGSHBEAJWEK-UHFFFAOYSA-N -1 1 362.429 4.280 20 0 FIADMM COc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc(Cl)c1[O-] ZINC000460126056 1101619355 /nfs/dbraw/zinc/61/93/55/1101619355.db2.gz UKANSXYPGGSELT-INIZCTEOSA-N -1 1 365.832 4.190 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000460131587 1101626186 /nfs/dbraw/zinc/62/61/86/1101626186.db2.gz PIQZEBAMXJTXOF-APPDUMDISA-N -1 1 363.816 4.417 20 0 FIADMM Cc1ccc(-c2csc3[n-]c(COCC(F)(F)F)nc(=O)c23)s1 ZINC000055491003 1101678400 /nfs/dbraw/zinc/67/84/00/1101678400.db2.gz KCRJEVBFJVSZQO-UHFFFAOYSA-N -1 1 360.382 4.100 20 0 FIADMM CC(C)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC001625957999 1101709051 /nfs/dbraw/zinc/70/90/51/1101709051.db2.gz MXARHTIGFAACOG-LJQANCHMSA-N -1 1 353.462 4.386 20 0 FIADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000532385754 1101716447 /nfs/dbraw/zinc/71/64/47/1101716447.db2.gz AMWUZOKSGYNMOL-HNNXBMFYSA-N -1 1 369.461 4.129 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)[nH]nc1C1CC1 ZINC000760321194 1101910071 /nfs/dbraw/zinc/91/00/71/1101910071.db2.gz RYJOZDTXKBUFHF-UHFFFAOYSA-N -1 1 361.511 4.311 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000475825680 1101990439 /nfs/dbraw/zinc/99/04/39/1101990439.db2.gz BNLJXEDTQIPBJI-UHFFFAOYSA-N -1 1 352.459 4.420 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)c(C)c1 ZINC000475826472 1101991576 /nfs/dbraw/zinc/99/15/76/1101991576.db2.gz CLJUDOVYMTYNIR-UHFFFAOYSA-N -1 1 374.487 4.236 20 0 FIADMM CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000035903087 1101998045 /nfs/dbraw/zinc/99/80/45/1101998045.db2.gz FWCOZDAHAILXLM-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3c(C)onc3-c3ccccc3)[nH][n-]2)s1 ZINC000519265299 1102061117 /nfs/dbraw/zinc/06/11/17/1102061117.db2.gz NCSIXIPZSKUTSC-UHFFFAOYSA-N -1 1 364.430 4.084 20 0 FIADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000475830944 1102118645 /nfs/dbraw/zinc/11/86/45/1102118645.db2.gz NXQQHCDWDHXWGG-UHFFFAOYSA-N -1 1 368.458 4.004 20 0 FIADMM CC1=Nc2ccccc2C12CCN(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC000898248613 1102190114 /nfs/dbraw/zinc/19/01/14/1102190114.db2.gz PNMUOOXSGZZWOG-UHFFFAOYSA-N -1 1 368.864 4.255 20 0 FIADMM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ccccc1C(F)(F)F ZINC000506818596 1102190758 /nfs/dbraw/zinc/19/07/58/1102190758.db2.gz FQWDQAAYGYIIRQ-UHFFFAOYSA-N -1 1 363.788 4.343 20 0 FIADMM CCc1nc(CNCc2ccc(OCCC(C)C)cc2)ccc1C(=O)[O-] ZINC000426640083 1102225843 /nfs/dbraw/zinc/22/58/43/1102225843.db2.gz ZSHBPWVOKKEGKD-UHFFFAOYSA-N -1 1 356.466 4.057 20 0 FIADMM Cc1nc(CNCc2ccc(-c3ccccc3F)s2)ccc1C(=O)[O-] ZINC000426650609 1102249879 /nfs/dbraw/zinc/24/98/79/1102249879.db2.gz FCADRPHPTPKLHH-UHFFFAOYSA-N -1 1 356.422 4.246 20 0 FIADMM COC(=O)c1sccc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000121875152 1102466615 /nfs/dbraw/zinc/46/66/15/1102466615.db2.gz SPBOFHIPHODAHT-UHFFFAOYSA-N -1 1 362.794 4.095 20 0 FIADMM CSc1nc(=O)c2sc(-c3ccc(Br)cc3)cc2[n-]1 ZINC000049068562 1102481388 /nfs/dbraw/zinc/48/13/88/1102481388.db2.gz FUJZVEQRBPVGBB-UHFFFAOYSA-N -1 1 353.266 4.136 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)ccc1-c1ccoc1 ZINC000473677331 1102490145 /nfs/dbraw/zinc/49/01/45/1102490145.db2.gz QGUVBBTZZLKSKG-UHFFFAOYSA-N -1 1 363.348 4.434 20 0 FIADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc3ccccc3cc2[O-])s1 ZINC000121975774 1102504070 /nfs/dbraw/zinc/50/40/70/1102504070.db2.gz BHKXIAKTFYDBJY-UHFFFAOYSA-N -1 1 365.458 4.144 20 0 FIADMM O=C(Cc1csc(-c2cccs2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000111666001 1102696540 /nfs/dbraw/zinc/69/65/40/1102696540.db2.gz GCWCGCRGROJEOF-UHFFFAOYSA-N -1 1 350.852 4.412 20 0 FIADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668660 1102698855 /nfs/dbraw/zinc/69/88/55/1102698855.db2.gz SILWQXSOFQUBFO-NSHDSACASA-N -1 1 358.829 4.322 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)s1 ZINC000121884383 1102779527 /nfs/dbraw/zinc/77/95/27/1102779527.db2.gz SYFBVDHFCYRNND-NSHDSACASA-N -1 1 352.485 4.002 20 0 FIADMM COc1cc(Cl)c(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1Cl ZINC000426711582 1102946962 /nfs/dbraw/zinc/94/69/62/1102946962.db2.gz PJUAOUSXJMCLIJ-INIZCTEOSA-N -1 1 354.233 4.226 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000426741664 1102957875 /nfs/dbraw/zinc/95/78/75/1102957875.db2.gz GSIGCBCNRBWEMC-MEDUHNTESA-N -1 1 355.331 4.396 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000426741662 1102958139 /nfs/dbraw/zinc/95/81/39/1102958139.db2.gz GSIGCBCNRBWEMC-BDJLRTHQSA-N -1 1 355.331 4.396 20 0 FIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000614840333 1102964313 /nfs/dbraw/zinc/96/43/13/1102964313.db2.gz AVYPFFBFEXMCPD-UHFFFAOYSA-N -1 1 373.437 4.002 20 0 FIADMM Cc1cc(C)cc([C@@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000426747325 1102965886 /nfs/dbraw/zinc/96/58/86/1102965886.db2.gz OLFNRRUJFQBBFT-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000614843806 1102968530 /nfs/dbraw/zinc/96/85/30/1102968530.db2.gz BMGYEFUOAHTBBX-UHFFFAOYSA-N -1 1 374.506 4.460 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000614843854 1102969825 /nfs/dbraw/zinc/96/98/25/1102969825.db2.gz CNMINSJPRUTIQR-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cccc3c2OCCCO3)cc1 ZINC000426769222 1102987220 /nfs/dbraw/zinc/98/72/20/1102987220.db2.gz HBZJVLHNUOXNME-IBGZPJMESA-N -1 1 369.461 4.277 20 0 FIADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1ccc(Br)cc1 ZINC000426813755 1103008619 /nfs/dbraw/zinc/00/86/19/1103008619.db2.gz ZGNQPIWOQYGUBY-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM COc1cc(Cl)c(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000426820040 1103014551 /nfs/dbraw/zinc/01/45/51/1103014551.db2.gz XNSUVWXCORVDRV-HNNXBMFYSA-N -1 1 358.196 4.057 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000426820395 1103017194 /nfs/dbraw/zinc/01/71/94/1103017194.db2.gz YZZYGMYQQGQPHY-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccc(Br)o1)c1cccc(Cl)c1 ZINC000426827668 1103027487 /nfs/dbraw/zinc/02/74/87/1103027487.db2.gz IYIKNDAGGZDDCH-GFCCVEGCSA-N -1 1 358.619 4.001 20 0 FIADMM [O-]c1cccc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)c1Cl ZINC000507152226 1103172326 /nfs/dbraw/zinc/17/23/26/1103172326.db2.gz QNBWFZPJYRUGNO-UHFFFAOYSA-N -1 1 372.683 4.070 20 0 FIADMM CCSc1ccc(CN(C[C@@H](C)C(=O)[O-])C2CC2)c(Br)c1 ZINC000629363703 1103221980 /nfs/dbraw/zinc/22/19/80/1103221980.db2.gz GQWHSMOPWDFMQZ-LLVKDONJSA-N -1 1 372.328 4.246 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cc(Cl)ccc1F ZINC000551444915 1103227911 /nfs/dbraw/zinc/22/79/11/1103227911.db2.gz DQSJBVLNHDHQNB-QGZVFWFLSA-N -1 1 365.813 4.140 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4ncsc4c3)cc2s1 ZINC000427128932 1103283192 /nfs/dbraw/zinc/28/31/92/1103283192.db2.gz RMKMNWBGFWPLAN-UHFFFAOYSA-N -1 1 361.473 4.015 20 0 FIADMM O=C([O-])c1ccoc1CN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000519600916 1103322130 /nfs/dbraw/zinc/32/21/30/1103322130.db2.gz HGDNLGJYVFOEEK-GFCCVEGCSA-N -1 1 370.232 4.328 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(F)(F)F)cc1 ZINC000551538849 1103339952 /nfs/dbraw/zinc/33/99/52/1103339952.db2.gz SFEOMPVDAGSYAT-UHFFFAOYSA-N -1 1 359.369 4.077 20 0 FIADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000083063679 1103357993 /nfs/dbraw/zinc/35/79/93/1103357993.db2.gz SQWLHPMQMCOYOB-CHWSQXEVSA-N -1 1 369.852 4.253 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)sc2c1)c1ccc(F)cc1 ZINC000507613978 1103549815 /nfs/dbraw/zinc/54/98/15/1103549815.db2.gz ULVJVGSWRXFKID-UHFFFAOYSA-N -1 1 358.366 4.174 20 0 FIADMM COc1ccc(C(=O)CCCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445454082 1103897474 /nfs/dbraw/zinc/89/74/74/1103897474.db2.gz JXTFVNWNDJZEPN-UHFFFAOYSA-N -1 1 372.808 4.310 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1Cl ZINC000538295946 1104113764 /nfs/dbraw/zinc/11/37/64/1104113764.db2.gz HPRBTYIUICUIBG-UHFFFAOYSA-N -1 1 356.850 4.409 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1ccc(Cl)nc1Cl ZINC000729485746 1104145750 /nfs/dbraw/zinc/14/57/50/1104145750.db2.gz SXJGEBJWMMODAP-HNNXBMFYSA-N -1 1 371.289 4.208 20 0 FIADMM Cc1ccc(NC(=O)C2(C)CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000520233405 1104192643 /nfs/dbraw/zinc/19/26/43/1104192643.db2.gz SYDJOOYDOHEBJZ-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000520398530 1104323506 /nfs/dbraw/zinc/32/35/06/1104323506.db2.gz BFBDAERAGUHADE-JOCHJYFZSA-N -1 1 354.409 4.460 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)c(C)c1 ZINC000536302504 1104639410 /nfs/dbraw/zinc/63/94/10/1104639410.db2.gz PJDUGQYRBXSUED-UHFFFAOYSA-N -1 1 368.458 4.175 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2occc2COc2ccccc2)s1 ZINC000022240889 1105000251 /nfs/dbraw/zinc/00/02/51/1105000251.db2.gz FGAJIXPLSHTEAH-UHFFFAOYSA-N -1 1 357.435 4.305 20 0 FIADMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC000520700765 1105124140 /nfs/dbraw/zinc/12/41/40/1105124140.db2.gz LJRJWCVXFQAVIR-UHFFFAOYSA-N -1 1 368.430 4.499 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427654932 1105230298 /nfs/dbraw/zinc/23/02/98/1105230298.db2.gz PNNROTZIDBEXIF-UHFFFAOYSA-N -1 1 368.458 4.257 20 0 FIADMM CC(C)c1cc(C(=O)Nc2cccc(F)c2[O-])c2cnn(C(C)C)c2n1 ZINC000530004567 1106759992 /nfs/dbraw/zinc/75/99/92/1106759992.db2.gz BVPIYKDWUZFJJM-UHFFFAOYSA-N -1 1 356.401 4.233 20 0 FIADMM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]C1(C(F)F)CCCCC1 ZINC000451023753 1106875548 /nfs/dbraw/zinc/87/55/48/1106875548.db2.gz GOAOAHXBMYHOCY-UHFFFAOYSA-N -1 1 353.381 4.012 20 0 FIADMM O=c1[n-]c(Oc2ccc(F)c(Cl)c2)nc2c1cnn2-c1ccccc1 ZINC000301351350 1107001185 /nfs/dbraw/zinc/00/11/85/1107001185.db2.gz MVEQJUJBNGKKHX-UHFFFAOYSA-N -1 1 356.744 4.106 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc3c2OC(C)(C)C3)cc(Cl)c1[O-] ZINC000530406608 1107010718 /nfs/dbraw/zinc/01/07/18/1107010718.db2.gz HMISXWAAUHVFBC-UHFFFAOYSA-N -1 1 361.825 4.410 20 0 FIADMM Cc1cccc2c(CCNc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)c[nH]c21 ZINC000301400699 1107018664 /nfs/dbraw/zinc/01/86/64/1107018664.db2.gz BTHQGBQCNQLSPM-UHFFFAOYSA-N -1 1 373.460 4.305 20 0 FIADMM Cc1ccccc1C1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301404503 1107021007 /nfs/dbraw/zinc/02/10/07/1107021007.db2.gz KWRCGMNPUBOYCD-UHFFFAOYSA-N -1 1 360.461 4.313 20 0 FIADMM Cc1nc(-c2ccc(N3CCC4(CCCCC4)CC3)nc2)[n-]c(=O)c1C ZINC000301414927 1107023259 /nfs/dbraw/zinc/02/32/59/1107023259.db2.gz QPQRDRAABCRREH-UHFFFAOYSA-N -1 1 352.482 4.412 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CC2CCCCC2)cc1 ZINC000029366771 1107063563 /nfs/dbraw/zinc/06/35/63/1107063563.db2.gz CBFAXUOSOHUDCO-UHFFFAOYSA-N -1 1 372.538 4.345 20 0 FIADMM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451604529 1107197477 /nfs/dbraw/zinc/19/74/77/1107197477.db2.gz BCVNQIGXDJQFTK-UHFFFAOYSA-N -1 1 365.751 4.073 20 0 FIADMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000444402439 1107545892 /nfs/dbraw/zinc/54/58/92/1107545892.db2.gz AZKPMMCIHNPECH-GTNSWQLSSA-N -1 1 366.244 4.301 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1OCC ZINC000614751725 1107612877 /nfs/dbraw/zinc/61/28/77/1107612877.db2.gz OHRSICRUWLFDFY-UHFFFAOYSA-N -1 1 369.870 4.247 20 0 FIADMM COCc1cc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)no1 ZINC000487500788 1107772020 /nfs/dbraw/zinc/77/20/20/1107772020.db2.gz KGMIPHFQZNIMHV-UHFFFAOYSA-N -1 1 357.366 4.004 20 0 FIADMM CN(C(=O)c1cc(F)ccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000444467219 1107920982 /nfs/dbraw/zinc/92/09/82/1107920982.db2.gz QBZJPJLVOMHGRQ-UHFFFAOYSA-N -1 1 351.377 4.387 20 0 FIADMM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000531487379 1107935974 /nfs/dbraw/zinc/93/59/74/1107935974.db2.gz QDONZZJIDMMVDC-UHFFFAOYSA-N -1 1 359.472 4.036 20 0 FIADMM CC(=C([O-])Nc1nc(-c2ccccc2Cl)ns1)c1cccc(C)c1 ZINC000523503443 1108286012 /nfs/dbraw/zinc/28/60/12/1108286012.db2.gz WAJWWJXAICCYFE-GFCCVEGCSA-N -1 1 357.866 4.331 20 0 FIADMM CCOc1cc(-c2nc(C3(OC)CCCCC3)no2)cc(Cl)c1[O-] ZINC000453249680 1108322739 /nfs/dbraw/zinc/32/27/39/1108322739.db2.gz YNDJYMJZSLKLJI-UHFFFAOYSA-N -1 1 352.818 4.300 20 0 FIADMM COc1cc(-c2nc(Cc3ccc4c(c3)CCC4)no2)cc(Cl)c1[O-] ZINC000445384738 1108716183 /nfs/dbraw/zinc/71/61/83/1108716183.db2.gz KFQAATJULXYCBP-UHFFFAOYSA-N -1 1 356.809 4.184 20 0 FIADMM COc1cc(-c2noc(-c3ccccc3C)n2)cc(Br)c1[O-] ZINC000445398077 1108725883 /nfs/dbraw/zinc/72/58/83/1108725883.db2.gz PRXASYSGDZXTHE-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCO[C@@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445409653 1108732985 /nfs/dbraw/zinc/73/29/85/1108732985.db2.gz BMRBJBWNTXBCHH-PWSUYJOCSA-N -1 1 352.818 4.167 20 0 FIADMM CCOc1cc(-c2noc(COc3ccccc3F)n2)cc(Cl)c1[O-] ZINC000445421060 1108734395 /nfs/dbraw/zinc/73/43/95/1108734395.db2.gz XDZCVSOULJBCFJ-UHFFFAOYSA-N -1 1 364.760 4.212 20 0 FIADMM CCOc1cc(-c2noc(Cc3cc(F)ccc3F)n2)cc(Cl)c1[O-] ZINC000445420948 1108734474 /nfs/dbraw/zinc/73/44/74/1108734474.db2.gz FAVBBQKHTQWXMV-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc4n[nH]cc43)n2)cc(Cl)c1[O-] ZINC000445429082 1108740898 /nfs/dbraw/zinc/74/08/98/1108740898.db2.gz ZHPRIUFFZIQVHN-UHFFFAOYSA-N -1 1 356.769 4.038 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C\c3ccc(-n4ccnc4)cc3)n2)c(Cl)c1 ZINC000445450693 1108753266 /nfs/dbraw/zinc/75/32/66/1108753266.db2.gz VEDRTQUGPAONNE-BAQGIRSFSA-N -1 1 364.792 4.452 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OC[C@@H]4CCCO4)cc3)n2)c(Cl)c1 ZINC000445445992 1108772456 /nfs/dbraw/zinc/77/24/56/1108772456.db2.gz KMROHEZUCUQNDY-HNNXBMFYSA-N -1 1 372.808 4.320 20 0 FIADMM CCc1nc(-c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2)n[nH]1 ZINC000445447743 1108774236 /nfs/dbraw/zinc/77/42/36/1108774236.db2.gz POYVFCOTLXJYFX-UHFFFAOYSA-N -1 1 367.796 4.110 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)cnn1-c1ccccc1 ZINC000445446035 1108774332 /nfs/dbraw/zinc/77/43/32/1108774332.db2.gz CAXBDVHZIHRTBK-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM [O-]c1ccc(-c2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)c(F)c1 ZINC000445452444 1108784755 /nfs/dbraw/zinc/78/47/55/1108784755.db2.gz CUYJOXLHJAIVGF-UHFFFAOYSA-N -1 1 374.799 4.331 20 0 FIADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(=O)c1ccc(Cl)cc1 ZINC000445461525 1108794676 /nfs/dbraw/zinc/79/46/76/1108794676.db2.gz XUHLQXHKAYDKIS-JTQLQIEISA-N -1 1 360.772 4.296 20 0 FIADMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)sc1Br ZINC000445478914 1108798153 /nfs/dbraw/zinc/79/81/53/1108798153.db2.gz TZRLBLDLYUQHEZ-UHFFFAOYSA-N -1 1 371.187 4.081 20 0 FIADMM Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477096 1108798175 /nfs/dbraw/zinc/79/81/75/1108798175.db2.gz AUNGNVRMKOGDGI-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM COc1ccc(Br)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445479159 1108799780 /nfs/dbraw/zinc/79/97/80/1108799780.db2.gz IZWCNMKZRYYREC-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CC[C@@H](C)n1ncc2c1nc(C)cc2-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484234 1108803977 /nfs/dbraw/zinc/80/39/77/1108803977.db2.gz YFLSMLYNYFMTCJ-LLVKDONJSA-N -1 1 367.384 4.272 20 0 FIADMM CCCOc1ccc(C(=O)CCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445485687 1108805327 /nfs/dbraw/zinc/80/53/27/1108805327.db2.gz BWHAOTADNOXFKU-UHFFFAOYSA-N -1 1 370.380 4.186 20 0 FIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000016121962 1108825688 /nfs/dbraw/zinc/82/56/88/1108825688.db2.gz PPATZGIGAKCVSP-UHFFFAOYSA-N -1 1 368.458 4.235 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2ncccn2)cc1C ZINC000524300872 1108957841 /nfs/dbraw/zinc/95/78/41/1108957841.db2.gz REEVKOBDMLYMBB-UHFFFAOYSA-N -1 1 371.487 4.045 20 0 FIADMM CC[C@H](c1nnc(SCC(=O)c2ccc([O-])cc2)o1)c1ccccc1 ZINC000524316692 1108963774 /nfs/dbraw/zinc/96/37/74/1108963774.db2.gz UEYQUAODIDZYJY-INIZCTEOSA-N -1 1 354.431 4.292 20 0 FIADMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)COC4)ccc21 ZINC000524320423 1108965294 /nfs/dbraw/zinc/96/52/94/1108965294.db2.gz NLGLGSSQUCTGAA-UHFFFAOYSA-N -1 1 370.474 4.128 20 0 FIADMM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000446110464 1109110009 /nfs/dbraw/zinc/11/00/09/1109110009.db2.gz YDEPMHMQRZOKPY-UHFFFAOYSA-N -1 1 354.357 4.216 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc2ncccc2c1 ZINC000525019167 1109233487 /nfs/dbraw/zinc/23/34/87/1109233487.db2.gz LPRRLSMOQXKTGR-UHFFFAOYSA-N -1 1 353.230 4.342 20 0 FIADMM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000525070370 1109257880 /nfs/dbraw/zinc/25/78/80/1109257880.db2.gz VKRGFMKYHXBHOA-HZPDHXFCSA-N -1 1 372.490 4.252 20 0 FIADMM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)on1 ZINC000525243624 1109317556 /nfs/dbraw/zinc/31/75/56/1109317556.db2.gz BARVRAHGSUHEPB-UHFFFAOYSA-N -1 1 359.817 4.269 20 0 FIADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000446790762 1109338321 /nfs/dbraw/zinc/33/83/21/1109338321.db2.gz CFOUUIBPMMPYCU-UHFFFAOYSA-N -1 1 359.278 4.454 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000525403396 1109373409 /nfs/dbraw/zinc/37/34/09/1109373409.db2.gz LZZVYHNXVGXBOV-QWHCGFSZSA-N -1 1 371.799 4.317 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C ZINC000447260704 1109488944 /nfs/dbraw/zinc/48/89/44/1109488944.db2.gz MYGNUPBEKGDJFK-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc(Cl)c1[O-] ZINC000525953337 1109562781 /nfs/dbraw/zinc/56/27/81/1109562781.db2.gz INHZGKBSXDPSCN-UHFFFAOYSA-N -1 1 360.841 4.215 20 0 FIADMM CCOc1cc(-c2noc([C@H]3C[C@@]3(C)Br)n2)cc(Cl)c1[O-] ZINC000528170398 1109930899 /nfs/dbraw/zinc/93/08/99/1109930899.db2.gz ZMAYRTCLBRRBRB-XLKFXECMSA-N -1 1 373.634 4.135 20 0 FIADMM COc1cc(-c2noc([C@@H]3CCCC34CC4)n2)cc(Br)c1[O-] ZINC000528171017 1109931028 /nfs/dbraw/zinc/93/10/28/1109931028.db2.gz QUTOGJFTTDZNGJ-JTQLQIEISA-N -1 1 365.227 4.261 20 0 FIADMM CC(C)c1noc(CCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)n1 ZINC000529540290 1110284757 /nfs/dbraw/zinc/28/47/57/1110284757.db2.gz XHZMQHXSCRJNPC-UHFFFAOYSA-N -1 1 359.813 4.277 20 0 FIADMM C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538581 1110286629 /nfs/dbraw/zinc/28/66/29/1110286629.db2.gz FXGYCRBRZRLKFQ-CHWSQXEVSA-N -1 1 363.841 4.112 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2scnc2C(C)C)c1 ZINC000450468258 1110301917 /nfs/dbraw/zinc/30/19/17/1110301917.db2.gz NSCHSAKUAXQUJY-UHFFFAOYSA-N -1 1 355.257 4.295 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCCc4c(F)cccc43)nc2)[n-]c(=O)c1C ZINC000450556875 1110313770 /nfs/dbraw/zinc/31/37/70/1110313770.db2.gz NAOHVNGHBZYMMU-GOSISDBHSA-N -1 1 364.424 4.490 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cnc(C)c2C)cc1 ZINC000461186653 1111109049 /nfs/dbraw/zinc/10/90/49/1111109049.db2.gz OMAHDHUBAFTPKA-UHFFFAOYSA-N -1 1 373.503 4.012 20 0 FIADMM CSc1ccc([O-])c(C(=O)N2CCCc3cc(OC(F)F)ccc32)c1 ZINC000667069444 1111119128 /nfs/dbraw/zinc/11/91/28/1111119128.db2.gz AVMMBIJRRBLANI-UHFFFAOYSA-N -1 1 365.401 4.309 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C)ccc2Br)sc1C ZINC000539115561 1111437756 /nfs/dbraw/zinc/43/77/56/1111437756.db2.gz QPYHYAQTWBVCMJ-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cc(F)ccc1F ZINC000552197773 1111611008 /nfs/dbraw/zinc/61/10/08/1111611008.db2.gz CEGVYCDPMCZQSM-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(Oc3ccccc3)o2)c1F ZINC000478082819 1111673422 /nfs/dbraw/zinc/67/34/22/1111673422.db2.gz JXVAPFYLXXFLCG-UHFFFAOYSA-N -1 1 373.311 4.389 20 0 FIADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478069265 1111676534 /nfs/dbraw/zinc/67/65/34/1111676534.db2.gz VPQVNZNHVXHVMJ-UYAOXDASSA-N -1 1 372.490 4.108 20 0 FIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000478974401 1111924872 /nfs/dbraw/zinc/92/48/72/1111924872.db2.gz BTRMXDPCFNUWTQ-UHFFFAOYSA-N -1 1 372.446 4.064 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc2ncsc2c1 ZINC000479514007 1112056194 /nfs/dbraw/zinc/05/61/94/1112056194.db2.gz FSGQYXSNTCEGCB-UHFFFAOYSA-N -1 1 373.503 4.087 20 0 FIADMM Cc1onc(-c2ccccc2C)c1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000479793910 1112137501 /nfs/dbraw/zinc/13/75/01/1112137501.db2.gz CIXJFGWVNPOSAN-UHFFFAOYSA-N -1 1 364.430 4.084 20 0 FIADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(CC(F)(F)F)cc1 ZINC000480195216 1112321868 /nfs/dbraw/zinc/32/18/68/1112321868.db2.gz BORUNLJSQKNJDD-UHFFFAOYSA-N -1 1 355.337 4.338 20 0 FIADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000554725747 1112456882 /nfs/dbraw/zinc/45/68/82/1112456882.db2.gz KFIRKYTVVMDUPB-UHFFFAOYSA-N -1 1 353.875 4.053 20 0 FIADMM CCOc1cc(C(=O)NCc2c(Cl)cccc2OC)cc(Cl)c1[O-] ZINC000480921612 1112674073 /nfs/dbraw/zinc/67/40/73/1112674073.db2.gz RPNZMWMBVQKYAU-UHFFFAOYSA-N -1 1 370.232 4.036 20 0 FIADMM CCOC(=O)COc1cccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1 ZINC000481549142 1112974841 /nfs/dbraw/zinc/97/48/41/1112974841.db2.gz QZQPTDWRUHEJQN-UHFFFAOYSA-N -1 1 366.417 4.068 20 0 FIADMM CC(C)CCN1Cc2cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c2C1 ZINC000899765303 1112985695 /nfs/dbraw/zinc/98/56/95/1112985695.db2.gz DCMKGKDNASHFDL-QGZVFWFLSA-N -1 1 360.498 4.124 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc(Cl)c1[O-] ZINC000481986573 1113145116 /nfs/dbraw/zinc/14/51/16/1113145116.db2.gz TYQGLRHQQIZOOA-ONGXEEELSA-N -1 1 365.779 4.247 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc(Cl)c1[O-] ZINC000482047154 1113156835 /nfs/dbraw/zinc/15/68/35/1113156835.db2.gz NAPFKYKUCSJYJK-GFCCVEGCSA-N -1 1 365.779 4.105 20 0 FIADMM COc1cc(C(=O)NCCCc2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000482217435 1113201002 /nfs/dbraw/zinc/20/10/02/1113201002.db2.gz PTKPNTUFOKXBLV-UHFFFAOYSA-N -1 1 354.233 4.070 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cc(F)c(F)cc2F)c1 ZINC000482733806 1113344745 /nfs/dbraw/zinc/34/47/45/1113344745.db2.gz FYNAMUMUQNBWIA-UHFFFAOYSA-N -1 1 374.156 4.062 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCOCc2ccccc2)c1 ZINC000482737986 1113345887 /nfs/dbraw/zinc/34/58/87/1113345887.db2.gz UEZAHQILSRUHAS-UHFFFAOYSA-N -1 1 364.239 4.009 20 0 FIADMM CCOc1cc(C(=O)Nc2cnn([C@@H](C)CC)c2C)cc(Cl)c1[O-] ZINC000482762989 1113354371 /nfs/dbraw/zinc/35/43/71/1113354371.db2.gz VWDXFHDHZNKHAK-JTQLQIEISA-N -1 1 351.834 4.173 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(Cc2cccc(F)c2)CCC1 ZINC000482951168 1113403301 /nfs/dbraw/zinc/40/33/01/1113403301.db2.gz TUJHNMSMIPVEDU-UHFFFAOYSA-N -1 1 365.408 4.273 20 0 FIADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486840597 1113660947 /nfs/dbraw/zinc/66/09/47/1113660947.db2.gz BYEGZSXQZRXECO-GHMZBOCLSA-N -1 1 363.255 4.106 20 0 FIADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000487951180 1113829641 /nfs/dbraw/zinc/82/96/41/1113829641.db2.gz USDIVPWEEWXQGT-OAHLLOKOSA-N -1 1 362.267 4.248 20 0 FIADMM CC[C@H](C)n1ncc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1C1CC1 ZINC000760631419 1113988702 /nfs/dbraw/zinc/98/87/02/1113988702.db2.gz KXRSFHSUJBMKCO-ZDUSSCGKSA-N -1 1 370.449 4.039 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC000912835826 1114229616 /nfs/dbraw/zinc/22/96/16/1114229616.db2.gz MSPRHSNWDGOQDM-UHFFFAOYSA-N -1 1 357.307 4.024 20 0 FIADMM Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000054730482 1114385134 /nfs/dbraw/zinc/38/51/34/1114385134.db2.gz ZPQBFIHXPQXWOU-CQSZACIVSA-N -1 1 372.490 4.128 20 0 FIADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(OCC2CC2)CC1 ZINC000571096379 1114433503 /nfs/dbraw/zinc/43/35/03/1114433503.db2.gz AIJSOAYWWWDVBE-INIZCTEOSA-N -1 1 358.265 4.010 20 0 FIADMM Cc1noc(C2CC2)c1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000164177110 1114443456 /nfs/dbraw/zinc/44/34/56/1114443456.db2.gz BSZIUPVGWIWDPE-UHFFFAOYSA-N -1 1 372.475 4.424 20 0 FIADMM C[C@@H]1CCC[C@@H](CNC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000055481505 1114475712 /nfs/dbraw/zinc/47/57/12/1114475712.db2.gz DWWUBQKUCNRQPN-CHWSQXEVSA-N -1 1 364.540 4.002 20 0 FIADMM CC(C)[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(C)C1CCCCC1 ZINC000571963251 1114561908 /nfs/dbraw/zinc/56/19/08/1114561908.db2.gz YWQVRGLIJDKSFB-CQSZACIVSA-N -1 1 373.469 4.028 20 0 FIADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000055976937 1114575552 /nfs/dbraw/zinc/57/55/52/1114575552.db2.gz BHHNPBZBNDQJHF-UHFFFAOYSA-N -1 1 360.414 4.190 20 0 FIADMM Cc1ccccc1OCCCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000572048056 1114595534 /nfs/dbraw/zinc/59/55/34/1114595534.db2.gz GBQVFPXQNWNNDJ-UHFFFAOYSA-N -1 1 363.404 4.019 20 0 FIADMM CC(C)C[C@H](C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000589876682 1114851546 /nfs/dbraw/zinc/85/15/46/1114851546.db2.gz GQERWNFVLPFUKJ-INIZCTEOSA-N -1 1 374.506 4.498 20 0 FIADMM CCCN(Cn1c(CCC2CCCC2)n[n-]c1=S)CC(F)(F)F ZINC000058205652 1115138764 /nfs/dbraw/zinc/13/87/64/1115138764.db2.gz WVJDFFZLCALMEI-UHFFFAOYSA-N -1 1 350.454 4.295 20 0 FIADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000574213154 1115295127 /nfs/dbraw/zinc/29/51/27/1115295127.db2.gz JUYYJUZAVQIUFV-LJQANCHMSA-N -1 1 373.880 4.262 20 0 FIADMM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000598204358 1115714167 /nfs/dbraw/zinc/71/41/67/1115714167.db2.gz IBWNBXWXUNDXEM-OAHLLOKOSA-N -1 1 371.408 4.007 20 0 FIADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000598380567 1115723868 /nfs/dbraw/zinc/72/38/68/1115723868.db2.gz NVKALIBMIIEUPQ-UHFFFAOYSA-N -1 1 364.470 4.125 20 0 FIADMM COc1cccc(C(C)=C([O-])Nc2nc(-c3ccccc3Cl)ns2)c1 ZINC000599727055 1115839721 /nfs/dbraw/zinc/83/97/21/1115839721.db2.gz MSQVUTSYJSTIRG-NSHDSACASA-N -1 1 373.865 4.031 20 0 FIADMM O=C(Nc1cccc(C(=O)Nc2c([O-])cccc2F)c1)c1ccc(F)cc1 ZINC000605439248 1115895388 /nfs/dbraw/zinc/89/53/88/1115895388.db2.gz GNQSYOBRBVVQBZ-UHFFFAOYSA-N -1 1 368.339 4.175 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ncc(C(C)C)s2)c1 ZINC000172741004 1115981282 /nfs/dbraw/zinc/98/12/82/1115981282.db2.gz FTJOELYHHNADSD-UHFFFAOYSA-N -1 1 373.507 4.135 20 0 FIADMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606903457 1115981664 /nfs/dbraw/zinc/98/16/64/1115981664.db2.gz SWDXOVWURWBHHN-JOYOIKCWSA-N -1 1 355.809 4.216 20 0 FIADMM O=S(=O)([N-]c1ccc(COCc2ccccc2)cc1)c1cccc(F)c1 ZINC000607616018 1116049209 /nfs/dbraw/zinc/04/92/09/1116049209.db2.gz NYHHKENMUDIHJU-UHFFFAOYSA-N -1 1 371.433 4.343 20 0 FIADMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000607613596 1116049354 /nfs/dbraw/zinc/04/93/54/1116049354.db2.gz GGKPMKLKTHMKRM-UHFFFAOYSA-N -1 1 356.447 4.070 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc2)co1 ZINC000607880744 1116069013 /nfs/dbraw/zinc/06/90/13/1116069013.db2.gz DNRMPNKJBVOMMQ-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc([C@H]4C[C@H]4C)o3)nc2)[n-]c(=O)c1C ZINC000608080240 1116080976 /nfs/dbraw/zinc/08/09/76/1116080976.db2.gz YUZHYRGDFUWPFW-BZNIZROVSA-N -1 1 350.422 4.190 20 0 FIADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)[nH]n1 ZINC000608258161 1116091949 /nfs/dbraw/zinc/09/19/49/1116091949.db2.gz HBTWRZAFEOHESP-UHFFFAOYSA-N -1 1 369.446 4.407 20 0 FIADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000608365762 1116102334 /nfs/dbraw/zinc/10/23/34/1116102334.db2.gz JEDHRJAONLBPGQ-MNOVXSKESA-N -1 1 355.287 4.172 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000534669527 1116221913 /nfs/dbraw/zinc/22/19/13/1116221913.db2.gz GXRQIIHHUVOLDU-UHFFFAOYSA-N -1 1 365.405 4.425 20 0 FIADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(F)c(C(F)(F)F)c1 ZINC000534942217 1116254792 /nfs/dbraw/zinc/25/47/92/1116254792.db2.gz QYNJNGHIGRIJCP-UHFFFAOYSA-N -1 1 370.327 4.194 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c1 ZINC000669822298 1116333354 /nfs/dbraw/zinc/33/33/54/1116333354.db2.gz PNIJORPHZWNPSD-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM O=C(c1ncccc1[O-])N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000462766521 1117756269 /nfs/dbraw/zinc/75/62/69/1117756269.db2.gz UUCDBBNAGOMRLG-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1F ZINC000540499025 1118094807 /nfs/dbraw/zinc/09/48/07/1118094807.db2.gz VTYMCFCTVFUZKR-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM O=C(NCC1(c2cccc(F)c2)CCCCC1)c1c(F)ccc([O-])c1F ZINC000540560898 1118130338 /nfs/dbraw/zinc/13/03/38/1118130338.db2.gz FEHIVWNRDORQAS-UHFFFAOYSA-N -1 1 363.379 4.441 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCC3)ccc2C)c1 ZINC000463450909 1118160835 /nfs/dbraw/zinc/16/08/35/1118160835.db2.gz MSTFOAJWLQGNIJ-UHFFFAOYSA-N -1 1 372.490 4.233 20 0 FIADMM COc1ccc(-c2nc(CSc3nc(C)c(C)c(=O)[n-]3)cs2)cc1 ZINC000540716426 1118203775 /nfs/dbraw/zinc/20/37/75/1118203775.db2.gz QANPXXVOCHIUJP-UHFFFAOYSA-N -1 1 359.476 4.223 20 0 FIADMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)[n-]c(=O)c1C ZINC000540714756 1118210645 /nfs/dbraw/zinc/21/06/45/1118210645.db2.gz GIKAIMUBMSSAQA-VIFPVBQESA-N -1 1 372.277 4.225 20 0 FIADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000463919366 1118371435 /nfs/dbraw/zinc/37/14/35/1118371435.db2.gz HJODNBWTZQDEAH-HOTGVXAUSA-N -1 1 374.506 4.042 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000464215183 1118484278 /nfs/dbraw/zinc/48/42/78/1118484278.db2.gz AFDNTQUGWGMPNA-ZJUUUORDSA-N -1 1 373.799 4.126 20 0 FIADMM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)c1 ZINC000541526792 1118544397 /nfs/dbraw/zinc/54/43/97/1118544397.db2.gz MIPSBICEKFNPPE-HNNXBMFYSA-N -1 1 374.278 4.401 20 0 FIADMM CC1(C)CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000542199972 1118839423 /nfs/dbraw/zinc/83/94/23/1118839423.db2.gz YRBAYEUKQZOWKG-GOSISDBHSA-N -1 1 372.490 4.252 20 0 FIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1csc2ccccc12 ZINC000029938335 1118949593 /nfs/dbraw/zinc/94/95/93/1118949593.db2.gz IRTMZQVCFXUEIA-UHFFFAOYSA-N -1 1 352.367 4.070 20 0 FIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000172882858 1118986638 /nfs/dbraw/zinc/98/66/38/1118986638.db2.gz ARWIWHXNSPNBHY-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2cccnc2)CC1 ZINC000669958609 1119153236 /nfs/dbraw/zinc/15/32/36/1119153236.db2.gz KVUGIHCLFMUKLV-UHFFFAOYSA-N -1 1 367.836 4.009 20 0 FIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(Oc2ccccc2)o1 ZINC000176150803 1119260235 /nfs/dbraw/zinc/26/02/35/1119260235.db2.gz LCODUAHTTXROLY-UHFFFAOYSA-N -1 1 355.297 4.195 20 0 FIADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000007052216 1119468604 /nfs/dbraw/zinc/46/86/04/1119468604.db2.gz XICQWYVKDYPYOZ-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)c(F)cc2F)c1 ZINC000182916432 1119563104 /nfs/dbraw/zinc/56/31/04/1119563104.db2.gz HPRUJDHUJJAQLC-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM O=C(Cc1nc(-c2ccc(F)cc2)cs1)Nc1ccc([O-])c(Cl)c1 ZINC000185403247 1119660893 /nfs/dbraw/zinc/66/08/93/1119660893.db2.gz PTMOFEKZNYVDQF-UHFFFAOYSA-N -1 1 362.813 4.489 20 0 FIADMM Cc1nnc([N-]C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000189223451 1119863991 /nfs/dbraw/zinc/86/39/91/1119863991.db2.gz JVURFNAMZXBGJH-UHFFFAOYSA-N -1 1 368.340 4.081 20 0 FIADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(CC(F)(F)F)cc1 ZINC000189252657 1119876090 /nfs/dbraw/zinc/87/60/90/1119876090.db2.gz GGJFYDMMPQFTOS-UHFFFAOYSA-N -1 1 372.393 4.202 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189314411 1119885973 /nfs/dbraw/zinc/88/59/73/1119885973.db2.gz YQAYYAMQBPGOSE-UHFFFAOYSA-N -1 1 371.380 4.185 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1C ZINC000189317009 1119887048 /nfs/dbraw/zinc/88/70/48/1119887048.db2.gz VRVLAOFJQKTAKE-UHFFFAOYSA-N -1 1 371.380 4.103 20 0 FIADMM COc1ccc(Br)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190956846 1119955739 /nfs/dbraw/zinc/95/57/39/1119955739.db2.gz BJWCCRXBFRCSCV-UHFFFAOYSA-N -1 1 371.618 4.461 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)sc1Cl ZINC000191554941 1119983922 /nfs/dbraw/zinc/98/39/22/1119983922.db2.gz CVQQYERMHKCKKX-UHFFFAOYSA-N -1 1 357.671 4.213 20 0 FIADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(CC(F)(F)F)cc1 ZINC000191784890 1119996096 /nfs/dbraw/zinc/99/60/96/1119996096.db2.gz CEYSONRHIJYHAA-UHFFFAOYSA-N -1 1 366.364 4.140 20 0 FIADMM FC(F)(F)[C@H]([N-]c1nc(Cl)cc(-c2ccccn2)n1)c1ccccn1 ZINC001168479177 1120514355 /nfs/dbraw/zinc/51/43/55/1120514355.db2.gz FTLKGWAXFXAUOH-CQSZACIVSA-N -1 1 365.746 4.303 20 0 FIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1Cl ZINC000303257801 1120742941 /nfs/dbraw/zinc/74/29/41/1120742941.db2.gz HGGJSJKKYOZQSQ-UHFFFAOYSA-N -1 1 360.262 4.420 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C)ccc1F ZINC000303296846 1120746479 /nfs/dbraw/zinc/74/64/79/1120746479.db2.gz PHISGFBKZZYBCR-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1 ZINC000303401905 1120756566 /nfs/dbraw/zinc/75/65/66/1120756566.db2.gz REXVSYGXYKKQEU-OAHLLOKOSA-N -1 1 369.490 4.401 20 0 FIADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ccnc(Cl)c1F ZINC000153523647 1120883407 /nfs/dbraw/zinc/88/34/07/1120883407.db2.gz YQLWLXOYOYMYMU-UHFFFAOYSA-N -1 1 366.830 4.129 20 0 FIADMM O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccc([O-])c(Cl)c1 ZINC001649014811 1120902294 /nfs/dbraw/zinc/90/22/94/1120902294.db2.gz IINOKJMSVHVTRR-OAHLLOKOSA-N -1 1 360.866 4.205 20 0 FIADMM O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccc([O-])c(Cl)c1 ZINC001649014809 1120902460 /nfs/dbraw/zinc/90/24/60/1120902460.db2.gz IINOKJMSVHVTRR-HNNXBMFYSA-N -1 1 360.866 4.205 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1O ZINC000762455833 1120910503 /nfs/dbraw/zinc/91/05/03/1120910503.db2.gz KURBMGCNVWGKPV-UHFFFAOYSA-N -1 1 361.463 4.039 20 0 FIADMM CC[C@H](C)CN(CC)C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000176612493 1120926755 /nfs/dbraw/zinc/92/67/55/1120926755.db2.gz MBTLIQDDRLPDMI-LBPRGKRZSA-N -1 1 366.918 4.156 20 0 FIADMM CCOc1cc(C(=O)NCc2cccc(OC(C)C)c2)cc(Cl)c1[O-] ZINC000762583295 1120933439 /nfs/dbraw/zinc/93/34/39/1120933439.db2.gz UKMOWTUIULQNOC-UHFFFAOYSA-N -1 1 363.841 4.162 20 0 FIADMM CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000213904296 1121345166 /nfs/dbraw/zinc/34/51/66/1121345166.db2.gz FBPZEVWVOXQXLP-ZSOIEALJSA-N -1 1 356.809 4.162 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2COC)c2ccccc12 ZINC000057118353 1121353560 /nfs/dbraw/zinc/35/35/60/1121353560.db2.gz HGXVPLYZEVAUHX-UHFFFAOYSA-N -1 1 371.458 4.186 20 0 FIADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1sc2ncccc2c1Cl ZINC001127991598 1121577527 /nfs/dbraw/zinc/57/75/27/1121577527.db2.gz FGSSWMWIUSXQNH-UHFFFAOYSA-N -1 1 359.741 4.100 20 0 FIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2ccccc2F)n1 ZINC000063724481 1121581709 /nfs/dbraw/zinc/58/17/09/1121581709.db2.gz QTIURSPDXWLYDH-UHFFFAOYSA-N -1 1 374.344 4.072 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1 ZINC000064476337 1121615901 /nfs/dbraw/zinc/61/59/01/1121615901.db2.gz WTBXJJPSMOGHTR-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM O=S(=O)([N-]c1cccc(COCCc2ccccc2)c1)c1ccccc1 ZINC000064938622 1121645498 /nfs/dbraw/zinc/64/54/98/1121645498.db2.gz IEWNOSYAODUIEU-UHFFFAOYSA-N -1 1 367.470 4.247 20 0 FIADMM CC(C)Oc1ccc(Cl)c(-c2nc3ccc(Cl)cc3c(=O)[n-]2)n1 ZINC000065278991 1121665430 /nfs/dbraw/zinc/66/54/30/1121665430.db2.gz UORDLNIBMSVSAA-UHFFFAOYSA-N -1 1 350.205 4.491 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2ccccc2)CC1 ZINC000066045878 1121734397 /nfs/dbraw/zinc/73/43/97/1121734397.db2.gz JAXKRXOXAMSJKH-UHFFFAOYSA-N -1 1 360.251 4.175 20 0 FIADMM Cc1ccc(C=CC(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)cc1 ZINC000068424066 1121826985 /nfs/dbraw/zinc/82/69/85/1121826985.db2.gz NUUXNOZVRZKJGT-RMKNXTFCSA-N -1 1 368.506 4.003 20 0 FIADMM Cc1ccc(C)c(CC(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1 ZINC000068447193 1121829229 /nfs/dbraw/zinc/82/92/29/1121829229.db2.gz ICGDFEGGSSKZQN-UHFFFAOYSA-N -1 1 372.538 4.087 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000068447321 1121829686 /nfs/dbraw/zinc/82/96/86/1121829686.db2.gz MCWGOURNFBBPNR-UHFFFAOYSA-N -1 1 364.902 4.195 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000068453518 1121829868 /nfs/dbraw/zinc/82/98/68/1121829868.db2.gz VGTDIODCMAUUHS-UHFFFAOYSA-N -1 1 370.478 4.035 20 0 FIADMM CC(=O)Nc1cccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])c1 ZINC000186245751 1121983149 /nfs/dbraw/zinc/98/31/49/1121983149.db2.gz OZQXXMDMBLSCCQ-VIFPVBQESA-N -1 1 367.218 4.425 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cnc1Cl ZINC001128079496 1122231167 /nfs/dbraw/zinc/23/11/67/1122231167.db2.gz JPTVSXKEMKYFQL-JTQLQIEISA-N -1 1 358.738 4.228 20 0 FIADMM CCOc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1OC ZINC000055631859 1122258937 /nfs/dbraw/zinc/25/89/37/1122258937.db2.gz LQMHMYQZRALCHU-UHFFFAOYSA-N -1 1 357.431 4.048 20 0 FIADMM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1ccc(Cl)s1 ZINC000056128106 1122293948 /nfs/dbraw/zinc/29/39/48/1122293948.db2.gz UERCJXMMDPURML-JTQLQIEISA-N -1 1 369.817 4.374 20 0 FIADMM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129545421 1122631405 /nfs/dbraw/zinc/63/14/05/1122631405.db2.gz SXJCZCBJBYPNBR-UHFFFAOYSA-N -1 1 359.788 4.240 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3coc4c3C(=O)CCC4)s2)c(C)c1 ZINC000556135057 1122672225 /nfs/dbraw/zinc/67/22/25/1122672225.db2.gz ADCVKRRKHCGDFZ-UHFFFAOYSA-N -1 1 367.430 4.186 20 0 FIADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000129762704 1122694962 /nfs/dbraw/zinc/69/49/62/1122694962.db2.gz SFVVTQQKQWLKBV-UHFFFAOYSA-N -1 1 360.413 4.455 20 0 FIADMM Cc1ccc(NC(=O)C=C2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000918573463 1122712160 /nfs/dbraw/zinc/71/21/60/1122712160.db2.gz BSQCVYQRYDKASN-UHFFFAOYSA-N -1 1 370.474 4.235 20 0 FIADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001127440563 1122724924 /nfs/dbraw/zinc/72/49/24/1122724924.db2.gz IVYDZCRMNTVVBE-QLJPJBMISA-N -1 1 373.321 4.088 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000556331402 1122815019 /nfs/dbraw/zinc/81/50/19/1122815019.db2.gz IXGVBCFXTNGPEY-AWEZNQCLSA-N -1 1 359.294 4.289 20 0 FIADMM CCOc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1C ZINC000556351557 1122834200 /nfs/dbraw/zinc/83/42/00/1122834200.db2.gz BKRQTWRWSWSDTM-UHFFFAOYSA-N -1 1 373.396 4.299 20 0 FIADMM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000071972459 1122963234 /nfs/dbraw/zinc/96/32/34/1122963234.db2.gz HTEOTEFIOIYGFB-NSHDSACASA-N -1 1 351.374 4.059 20 0 FIADMM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3scnc3Cl)n[nH]2)cc1 ZINC000919746959 1123119367 /nfs/dbraw/zinc/11/93/67/1123119367.db2.gz VBIHTYYVQQZRBW-UHFFFAOYSA-N -1 1 361.858 4.131 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000132825310 1123365708 /nfs/dbraw/zinc/36/57/08/1123365708.db2.gz FARNLNKBASDHRZ-UHFFFAOYSA-N -1 1 350.271 4.459 20 0 FIADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000132978635 1123393496 /nfs/dbraw/zinc/39/34/96/1123393496.db2.gz ZFSWLIJDLORKPW-SECBINFHSA-N -1 1 370.193 4.266 20 0 FIADMM CCC/C(C)=C\C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000920290995 1123439645 /nfs/dbraw/zinc/43/96/45/1123439645.db2.gz RVRIGZFFHJOYHJ-SQFISAMPSA-N -1 1 358.463 4.172 20 0 FIADMM CN(Cc1ccccc1Br)C(=O)c1c([O-])cccc1Cl ZINC000920429713 1123461376 /nfs/dbraw/zinc/46/13/76/1123461376.db2.gz ZKLHQEBBFNULHX-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2nc3ccccc3c(=O)[n-]2)o1 ZINC000075544084 1123498140 /nfs/dbraw/zinc/49/81/40/1123498140.db2.gz AYLWNOUROYIUCQ-GUYCJALGSA-N -1 1 365.433 4.104 20 0 FIADMM C[C@@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)C1CCCCC1 ZINC000175334630 1123826835 /nfs/dbraw/zinc/82/68/35/1123826835.db2.gz CPUHCFVXEKEQFC-GFCCVEGCSA-N -1 1 364.540 4.144 20 0 FIADMM CC1(C)CCC(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000175645841 1123938228 /nfs/dbraw/zinc/93/82/28/1123938228.db2.gz BTQZGXREKOBMJR-UHFFFAOYSA-N -1 1 364.540 4.144 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000080027218 1123944745 /nfs/dbraw/zinc/94/47/45/1123944745.db2.gz SEVYGYPMUPNPTF-UHFFFAOYSA-N -1 1 356.372 4.172 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1Cl ZINC000180273234 1124279246 /nfs/dbraw/zinc/27/92/46/1124279246.db2.gz LKOIBOCQIPWUFU-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM CCOc1cc(-c2noc(-c3ccn(C(C)(C)C)n3)n2)cc(Cl)c1[O-] ZINC000656007204 1124332666 /nfs/dbraw/zinc/33/26/66/1124332666.db2.gz AGLRASAOBTUVRW-UHFFFAOYSA-N -1 1 362.817 4.113 20 0 FIADMM Cc1ccc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CCOCC2)cc1C ZINC000656014450 1124350097 /nfs/dbraw/zinc/35/00/97/1124350097.db2.gz UOTFNWAZBUHPPE-UHFFFAOYSA-N -1 1 368.408 4.295 20 0 FIADMM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2cccc3ccccc32)c1C ZINC000075495797 1124896940 /nfs/dbraw/zinc/89/69/40/1124896940.db2.gz JLNOWJKXKBCOGH-VWLOTQADSA-N -1 1 353.487 4.410 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000063849385 1124957746 /nfs/dbraw/zinc/95/77/46/1124957746.db2.gz JYBRMOBFBQYMSG-UHFFFAOYSA-N -1 1 357.834 4.205 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618109204 1125081292 /nfs/dbraw/zinc/08/12/92/1125081292.db2.gz FPBSCWUBLWXPAU-HXUWFJFHSA-N -1 1 363.413 4.132 20 0 FIADMM CCCCc1ccc2nc(NC(=O)C(=O)c3ccc([O-])cc3)sc2c1 ZINC000672703221 1125237340 /nfs/dbraw/zinc/23/73/40/1125237340.db2.gz OPJLMRLPLLZCIT-UHFFFAOYSA-N -1 1 354.431 4.166 20 0 FIADMM CCc1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1F ZINC000672773422 1125271867 /nfs/dbraw/zinc/27/18/67/1125271867.db2.gz RGRJWTSGPLQMRN-UHFFFAOYSA-N -1 1 370.424 4.221 20 0 FIADMM [O-]c1cccnc1-c1nc(-c2ccc3cc(Br)ccc3c2)no1 ZINC001212480821 1125300400 /nfs/dbraw/zinc/30/04/00/1125300400.db2.gz KSZAQPBQXFFTIR-UHFFFAOYSA-N -1 1 368.190 4.420 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1 ZINC000007726637 207204569 /nfs/dbraw/zinc/20/45/69/207204569.db2.gz BUXAFWBCHJUAPW-HNNXBMFYSA-N -1 1 372.490 4.128 20 0 FIADMM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])c2c(O)cccc21 ZINC000186279162 567897335 /nfs/dbraw/zinc/89/73/35/567897335.db2.gz CVGMNOLCLYFZME-SNVBAGLBSA-N -1 1 362.223 4.014 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000521415168 567959967 /nfs/dbraw/zinc/95/99/67/567959967.db2.gz KCTKSJPCZBBENS-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM COc1ccc2[nH]cc(CCNC(=O)c3ccc4ccccc4c3[O-])c2c1 ZINC000603550500 568118285 /nfs/dbraw/zinc/11/82/85/568118285.db2.gz JZGWVHZFYVUHON-UHFFFAOYSA-N -1 1 360.413 4.008 20 0 FIADMM CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000007258553 568226959 /nfs/dbraw/zinc/22/69/59/568226959.db2.gz JKAKYSCHFGOQQV-UHFFFAOYSA-N -1 1 373.865 4.299 20 0 FIADMM O=C(CSc1nc(C(F)(F)F)nc2ccccc21)c1ccc([O-])cc1 ZINC000008174483 568278788 /nfs/dbraw/zinc/27/87/88/568278788.db2.gz SUGDNICGHHFLHJ-UHFFFAOYSA-N -1 1 364.348 4.329 20 0 FIADMM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cc(Cl)sc1Cl ZINC000605164172 568592688 /nfs/dbraw/zinc/59/26/88/568592688.db2.gz ODPHZIHDFMHPRP-MRVPVSSYSA-N -1 1 366.316 4.180 20 0 FIADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000606143419 568669234 /nfs/dbraw/zinc/66/92/34/568669234.db2.gz RAZUNWOFADSUCT-UHFFFAOYSA-N -1 1 369.490 4.013 20 0 FIADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000606143671 568669685 /nfs/dbraw/zinc/66/96/85/568669685.db2.gz WUOPMPKUGSRZPC-UHFFFAOYSA-N -1 1 358.507 4.212 20 0 FIADMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182874253 1125659304 /nfs/dbraw/zinc/65/93/04/1125659304.db2.gz ZOPAQZXQXKVTNK-UHFFFAOYSA-N -1 1 352.799 4.318 20 0 FIADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000450468177 1110301665 /nfs/dbraw/zinc/30/16/65/1110301665.db2.gz NGINPOYTMLRKAL-QMMMGPOBSA-N -1 1 354.166 4.380 20 0 FIADMM CCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000022623822 1079522020 /nfs/dbraw/zinc/52/20/20/1079522020.db2.gz ACKIVLNCYDHTDU-INIZCTEOSA-N -1 1 374.506 4.023 20 0 FIADMM CCOc1ccc(-c2nc(CN3CCC(CCC(=O)[O-])CC3)cs2)cc1 ZINC000579720909 1079576399 /nfs/dbraw/zinc/57/63/99/1079576399.db2.gz SJLNZWFKFGCCSM-UHFFFAOYSA-N -1 1 374.506 4.286 20 0 FIADMM Cc1ccc(SCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)c1 ZINC000510062341 1079723112 /nfs/dbraw/zinc/72/31/12/1079723112.db2.gz DYYCPHMKILQJCC-UHFFFAOYSA-N -1 1 353.447 4.130 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC(F)(c2ccccc2F)C1 ZINC000646882944 1079754436 /nfs/dbraw/zinc/75/44/36/1079754436.db2.gz HTWLTAFZPMEZJS-UHFFFAOYSA-N -1 1 374.774 4.054 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)cccc1C(F)(F)F ZINC000471135965 1079789053 /nfs/dbraw/zinc/78/90/53/1079789053.db2.gz GQBLKIUCXIOHHH-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000026548209 1079906634 /nfs/dbraw/zinc/90/66/34/1079906634.db2.gz MISFJALKIWQGTG-UHFFFAOYSA-N -1 1 370.430 4.028 20 0 FIADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2)n1 ZINC000109010328 1079916278 /nfs/dbraw/zinc/91/62/78/1079916278.db2.gz VUJMBECEFDEHMR-UHFFFAOYSA-N -1 1 359.476 4.304 20 0 FIADMM Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000430221846 1080017583 /nfs/dbraw/zinc/01/75/83/1080017583.db2.gz UMQYIKYOTMTWQT-SCLBCKFNSA-N -1 1 366.383 4.076 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3=CCCC3)ccc2C)c1 ZINC000471165407 1080058390 /nfs/dbraw/zinc/05/83/90/1080058390.db2.gz NBMJWHMRXGRQIO-UHFFFAOYSA-N -1 1 370.474 4.153 20 0 FIADMM CN(C)c1nc2sc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2s1 ZINC000182873560 1080328706 /nfs/dbraw/zinc/32/87/06/1080328706.db2.gz UJPWJGLJFJSXMB-UHFFFAOYSA-N -1 1 353.856 4.035 20 0 FIADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000232783067 1080357935 /nfs/dbraw/zinc/35/79/35/1080357935.db2.gz NFBJVLUGKBMJKM-OAHLLOKOSA-N -1 1 360.679 4.035 20 0 FIADMM CCCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000471233776 1080463723 /nfs/dbraw/zinc/46/37/23/1080463723.db2.gz LPKNPKVYFBEATN-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(C(F)F)s3)cs2)c(C)c1 ZINC000109415025 1080469855 /nfs/dbraw/zinc/46/98/55/1080469855.db2.gz FDFNQIAOSIFQLI-UHFFFAOYSA-N -1 1 366.418 4.468 20 0 FIADMM CC(C)(C)CC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000021945357 1080686779 /nfs/dbraw/zinc/68/67/79/1080686779.db2.gz SBQAFWCZASSZLQ-UHFFFAOYSA-N -1 1 356.447 4.131 20 0 FIADMM COc1cc([C@@H](C)NC(=O)c2cccc([O-])c2F)ccc1OC1CCCC1 ZINC001625860039 1080715492 /nfs/dbraw/zinc/71/54/92/1080715492.db2.gz WRBLDIJAYNGJJE-CYBMUJFWSA-N -1 1 373.424 4.352 20 0 FIADMM Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000430382963 1080843773 /nfs/dbraw/zinc/84/37/73/1080843773.db2.gz GFJHGBLNTRPCCL-UHFFFAOYSA-N -1 1 369.368 4.057 20 0 FIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000430382963 1080843777 /nfs/dbraw/zinc/84/37/77/1080843777.db2.gz GFJHGBLNTRPCCL-UHFFFAOYSA-N -1 1 369.368 4.057 20 0 FIADMM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1[O-] ZINC000141363074 1080857973 /nfs/dbraw/zinc/85/79/73/1080857973.db2.gz GQFUUFSPSWTMJW-UHFFFAOYSA-N -1 1 350.330 4.345 20 0 FIADMM CCOc1cc(-c2noc([C@H](C)c3c(C)noc3C)n2)cc(Cl)c1[O-] ZINC000683589584 1081180627 /nfs/dbraw/zinc/18/06/27/1081180627.db2.gz VIAHADRBTRLTSH-MRVPVSSYSA-N -1 1 363.801 4.251 20 0 FIADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@@H](C4CCC4)C3)c2)o1 ZINC001167314996 1081328128 /nfs/dbraw/zinc/32/81/28/1081328128.db2.gz QCWBJLJUGVLTJV-MRXNPFEDSA-N -1 1 353.418 4.117 20 0 FIADMM CCOc1cc(-c2noc(C[C@H]3OCc4ccccc43)n2)cc(Cl)c1[O-] ZINC000656007367 1081444027 /nfs/dbraw/zinc/44/40/27/1081444027.db2.gz DHIZZELIJRNCRA-OAHLLOKOSA-N -1 1 372.808 4.308 20 0 FIADMM Cc1nc(NC(=O)/C=C\C(C)(C)C)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000255144311 1081461764 /nfs/dbraw/zinc/46/17/64/1081461764.db2.gz GWXQVJRAAVAHHU-FPLPWBNLSA-N -1 1 363.512 4.248 20 0 FIADMM C[C@H](CN(Cc1coc(-c2ccccc2C(F)(F)F)n1)C1CC1)C(=O)[O-] ZINC000634692729 1081530948 /nfs/dbraw/zinc/53/09/48/1081530948.db2.gz HRUQNNRMISGHIB-LLVKDONJSA-N -1 1 368.355 4.046 20 0 FIADMM O=C(NCc1ccc(OC2CCCCC2)cc1)c1c(F)ccc([O-])c1F ZINC000580179417 1081733859 /nfs/dbraw/zinc/73/38/59/1081733859.db2.gz ORCRNUXUZUJEQF-UHFFFAOYSA-N -1 1 361.388 4.312 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc(C(F)(F)F)c1 ZINC000048230747 1082292439 /nfs/dbraw/zinc/29/24/39/1082292439.db2.gz JRGNPTAFMREWTI-UHFFFAOYSA-N -1 1 368.336 4.161 20 0 FIADMM CN1CCc2cc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)ccc21 ZINC001167444856 1082299633 /nfs/dbraw/zinc/29/96/33/1082299633.db2.gz OMXRBMLQTXSUQS-UHFFFAOYSA-N -1 1 352.821 4.443 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)s1 ZINC000581087485 1082306399 /nfs/dbraw/zinc/30/63/99/1082306399.db2.gz PHJZOZQIPUUJFT-UHFFFAOYSA-N -1 1 353.362 4.269 20 0 FIADMM CCc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)[n-]c(=O)c1C ZINC000581261255 1082413455 /nfs/dbraw/zinc/41/34/55/1082413455.db2.gz PKRSQDAEYDGSNB-NSHDSACASA-N -1 1 365.886 4.134 20 0 FIADMM Cc1ccc(-c2nnc([C@H](C)Sc3nc(C(F)F)cc(=O)[n-]3)o2)cc1 ZINC000581338475 1082475285 /nfs/dbraw/zinc/47/52/85/1082475285.db2.gz DJCGZBXTQBVGFV-VIFPVBQESA-N -1 1 364.377 4.332 20 0 FIADMM Cc1ccc(-c2csc3[n-]c(COC[C@H]4CCCO4)nc(=O)c23)s1 ZINC000656491102 1082478305 /nfs/dbraw/zinc/47/83/05/1082478305.db2.gz RHDISIHLFVDBRG-LLVKDONJSA-N -1 1 362.476 4.129 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1C(F)(F)F ZINC000581402037 1082530446 /nfs/dbraw/zinc/53/04/46/1082530446.db2.gz ORXYFFYXYPXPAC-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC000650349805 1082549168 /nfs/dbraw/zinc/54/91/68/1082549168.db2.gz QDXZVWGQLWCCEX-UHFFFAOYSA-N -1 1 353.315 4.052 20 0 FIADMM CCc1cccc2cc(CN[C@H](Cc3ccc(C)c(C)c3)C(=O)[O-])oc21 ZINC000656567200 1082582819 /nfs/dbraw/zinc/58/28/19/1082582819.db2.gz HCDRGCOTSCNRSS-HXUWFJFHSA-N -1 1 351.446 4.398 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)c1C1CC1 ZINC000656740046 1082740520 /nfs/dbraw/zinc/74/05/20/1082740520.db2.gz XMLJTFAIIMAJKE-UHFFFAOYSA-N -1 1 352.406 4.147 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCc2cc(Cl)ccc2Cl)C1 ZINC000656757836 1082752164 /nfs/dbraw/zinc/75/21/64/1082752164.db2.gz UWCYDHCEXMSEAD-MNOVXSKESA-N -1 1 370.198 4.121 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)[C@@H]2CCCC[C@@H]12 ZINC000656762897 1082754589 /nfs/dbraw/zinc/75/45/89/1082754589.db2.gz DFUBSHQFAALXFH-RRFJBIMHSA-N -1 1 373.827 4.407 20 0 FIADMM Cc1ccc(OC(F)F)c(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000656764354 1082755433 /nfs/dbraw/zinc/75/54/33/1082755433.db2.gz GDRDRQODLARKQT-OWCLPIDISA-N -1 1 353.409 4.062 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000078657999 1082833353 /nfs/dbraw/zinc/83/33/53/1082833353.db2.gz OBIJBOPXBGPEQT-UHFFFAOYSA-N -1 1 368.458 4.204 20 0 FIADMM C[C@@H]1CC[C@@H](C)N(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC001167481917 1082874797 /nfs/dbraw/zinc/87/47/97/1082874797.db2.gz AHMCKDDQEGULEN-CHWSQXEVSA-N -1 1 371.481 4.411 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N(Cc1cccs1)C1CC1 ZINC000133037306 1083451138 /nfs/dbraw/zinc/45/11/38/1083451138.db2.gz KOEFDIRZLXDFII-UHFFFAOYSA-N -1 1 352.253 4.021 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000318346395 1083745995 /nfs/dbraw/zinc/74/59/95/1083745995.db2.gz UHZXURGXADWCNW-UHFFFAOYSA-N -1 1 362.209 4.136 20 0 FIADMM Cc1ccc(NC(=O)/C=C\C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000255866033 1083799707 /nfs/dbraw/zinc/79/97/07/1083799707.db2.gz CQHCOTOZFGUOQF-SEYXRHQNSA-N -1 1 372.490 4.337 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N(CC1CC1)c1ccccc1 ZINC000176204682 1083840135 /nfs/dbraw/zinc/84/01/35/1083840135.db2.gz SILSGLKZYFHXEQ-UHFFFAOYSA-N -1 1 370.503 4.112 20 0 FIADMM COc1cc(CN(C(=O)c2ccc3ccccc3c2[O-])C2CC2)ccc1O ZINC000092763670 1084123841 /nfs/dbraw/zinc/12/38/41/1084123841.db2.gz ZTFMBIRMDRSMEV-UHFFFAOYSA-N -1 1 363.413 4.064 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413963416 1084193568 /nfs/dbraw/zinc/19/35/68/1084193568.db2.gz ZCTBRLSAXGRMNH-SFHVURJKSA-N -1 1 357.837 4.040 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1coc(C2CCCC2)n1 ZINC000549006551 1084471849 /nfs/dbraw/zinc/47/18/49/1084471849.db2.gz LIBPCESQVDGYGH-UHFFFAOYSA-N -1 1 372.425 4.166 20 0 FIADMM Cc1ccccc1-c1noc([C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)n1 ZINC000582031331 1084491364 /nfs/dbraw/zinc/49/13/64/1084491364.db2.gz DOYHNZCTUHJCMD-SECBINFHSA-N -1 1 364.377 4.332 20 0 FIADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000174653517 1084806831 /nfs/dbraw/zinc/80/68/31/1084806831.db2.gz QFJFXLKHDHABMF-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)o1 ZINC000174766865 1084824501 /nfs/dbraw/zinc/82/45/01/1084824501.db2.gz OJJGOOXQOUADLQ-UHFFFAOYSA-N -1 1 371.462 4.025 20 0 FIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)cc2)o1 ZINC000174767715 1084825681 /nfs/dbraw/zinc/82/56/81/1084825681.db2.gz RNNDBJFDQBXXAN-UHFFFAOYSA-N -1 1 371.462 4.223 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000684857703 1084963145 /nfs/dbraw/zinc/96/31/45/1084963145.db2.gz LBDJXMSQNVEXDA-RLLQIKCJSA-N -1 1 353.462 4.091 20 0 FIADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000175551435 1084965276 /nfs/dbraw/zinc/96/52/76/1084965276.db2.gz MTIBRXJKZMSIMQ-RXBISOJRSA-N -1 1 367.470 4.116 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000684862315 1084978388 /nfs/dbraw/zinc/97/83/88/1084978388.db2.gz MDOHLVFPACGJEE-QAJUQPOASA-N -1 1 367.489 4.337 20 0 FIADMM O=c1nc(CN(Cc2ccccc2F)C2CCCCC2)[n-]c2ccsc21 ZINC000170920791 1084983516 /nfs/dbraw/zinc/98/35/16/1084983516.db2.gz PJWWTQOXIDHLJO-UHFFFAOYSA-N -1 1 371.481 4.459 20 0 FIADMM C[C@@H](OCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000684871256 1085001798 /nfs/dbraw/zinc/00/17/98/1085001798.db2.gz ZIWMQVGIFUCECU-CYBMUJFWSA-N -1 1 367.367 4.309 20 0 FIADMM Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871578 1085002977 /nfs/dbraw/zinc/00/29/77/1085002977.db2.gz MUSZMLZQUDYHGD-UHFFFAOYSA-N -1 1 363.295 4.022 20 0 FIADMM Cc1csc([C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C2CC2)n1 ZINC000684875716 1085011898 /nfs/dbraw/zinc/01/18/98/1085011898.db2.gz KBTDUIJKFWEPTD-ZDUSSCGKSA-N -1 1 356.369 4.057 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000111665960 1085024748 /nfs/dbraw/zinc/02/47/48/1085024748.db2.gz YXONPEOVFHDBKK-UHFFFAOYSA-N -1 1 374.805 4.150 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000511134268 1085059177 /nfs/dbraw/zinc/05/91/77/1085059177.db2.gz IRLXUAYHJMMJPD-UHFFFAOYSA-N -1 1 364.225 4.332 20 0 FIADMM COc1ccc(CCCCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000511135480 1085060424 /nfs/dbraw/zinc/06/04/24/1085060424.db2.gz GOUUKHYPNAGOOD-UHFFFAOYSA-N -1 1 365.433 4.142 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000152699857 1085114193 /nfs/dbraw/zinc/11/41/93/1085114193.db2.gz MENFZMNGILZVFN-IAGOWNOFSA-N -1 1 370.522 4.001 20 0 FIADMM CCCCSc1nnc(SCCC(=O)c2ccc([O-])cc2O)s1 ZINC000582555781 1085128969 /nfs/dbraw/zinc/12/89/69/1085128969.db2.gz IKYFHXNDUSKVMV-UHFFFAOYSA-N -1 1 370.521 4.207 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(OC2CCCC2)cc1 ZINC000243428565 1085428881 /nfs/dbraw/zinc/42/88/81/1085428881.db2.gz MXVLDSWYIQVEJI-UHFFFAOYSA-N -1 1 353.390 4.087 20 0 FIADMM COc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000642915209 1085572019 /nfs/dbraw/zinc/57/20/19/1085572019.db2.gz QPSIIVFMUAPAOW-FQEVSTJZSA-N -1 1 365.404 4.254 20 0 FIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cc(F)ccc1F ZINC000014256104 1085608198 /nfs/dbraw/zinc/60/81/98/1085608198.db2.gz GKRRUBZQLYJKJP-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM COc1c(Cl)cccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000104766701 1085902136 /nfs/dbraw/zinc/90/21/36/1085902136.db2.gz OWJFIIUVUSOEGS-MDZDMXLPSA-N -1 1 358.246 4.415 20 0 FIADMM O=C([O-])CCN(Cc1csc(Cc2ccc(Cl)cc2)n1)CC1CC1 ZINC000652467608 1086086048 /nfs/dbraw/zinc/08/60/48/1086086048.db2.gz FFEKZNGYRIEYFS-UHFFFAOYSA-N -1 1 364.898 4.074 20 0 FIADMM O=C([O-])c1cccc2c1CN(CCOc1cc(Cl)ccc1Cl)CC2 ZINC000652488085 1086114862 /nfs/dbraw/zinc/11/48/62/1086114862.db2.gz DXIQSKOZKIHNRO-UHFFFAOYSA-N -1 1 366.244 4.129 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)c(C)c1 ZINC000448040082 1086116383 /nfs/dbraw/zinc/11/63/83/1086116383.db2.gz AWEGZOAVQWMNFL-UHFFFAOYSA-N -1 1 361.463 4.177 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCCCS1 ZINC000583086878 1086171612 /nfs/dbraw/zinc/17/16/12/1086171612.db2.gz YOJJHIJIGGUMDL-SNVBAGLBSA-N -1 1 350.665 4.032 20 0 FIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1cccc(C(F)F)c1 ZINC000780377523 1086255527 /nfs/dbraw/zinc/25/55/27/1086255527.db2.gz WBCJARGXOCBQJE-UHFFFAOYSA-N -1 1 364.373 4.444 20 0 FIADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000094075727 1086446841 /nfs/dbraw/zinc/44/68/41/1086446841.db2.gz DLFJDERGNGIRLO-HNNXBMFYSA-N -1 1 362.470 4.390 20 0 FIADMM CCOC(=O)/C=C\c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000588575320 1086558191 /nfs/dbraw/zinc/55/81/91/1086558191.db2.gz MFJCYPWYXPGWNF-YHYXMXQVSA-N -1 1 360.797 4.266 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3oc(COC)nc3c2)cc1 ZINC000432359734 1086657913 /nfs/dbraw/zinc/65/79/13/1086657913.db2.gz UJVDNGNSHZXTPM-CYBMUJFWSA-N -1 1 374.462 4.289 20 0 FIADMM CCO[C@@H](C)c1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000151039721 1086776113 /nfs/dbraw/zinc/77/61/13/1086776113.db2.gz CCQGRHXZWYTFDC-ZETCQYMHSA-N -1 1 365.402 4.047 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1-c1ccccc1 ZINC000536191743 1087103050 /nfs/dbraw/zinc/10/30/50/1087103050.db2.gz KMQRIVDXNUYGIP-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000650795539 1087172273 /nfs/dbraw/zinc/17/22/73/1087172273.db2.gz YTWSHAQWBHVNEP-PRHODGIISA-N -1 1 355.278 4.162 20 0 FIADMM Cc1cc(CN2CCC(c3nc4c(s3)CCCC4)CC2)oc1C(=O)[O-] ZINC000584177931 1087207386 /nfs/dbraw/zinc/20/73/86/1087207386.db2.gz SOAQOSNPIGTUFS-UHFFFAOYSA-N -1 1 360.479 4.001 20 0 FIADMM C[C@H]1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C(=O)[O-] ZINC000584291626 1087251173 /nfs/dbraw/zinc/25/11/73/1087251173.db2.gz ZEEHAKQMIJNKOU-XHDPSFHLSA-N -1 1 350.871 4.006 20 0 FIADMM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000201136158 1087515189 /nfs/dbraw/zinc/51/51/89/1087515189.db2.gz XJVJZHFBXLWIET-UHFFFAOYSA-N -1 1 367.405 4.170 20 0 FIADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC000631463199 1087527642 /nfs/dbraw/zinc/52/76/42/1087527642.db2.gz AXIFZSGQASWKIB-LLVKDONJSA-N -1 1 352.887 4.135 20 0 FIADMM COc1cc(-c2noc(-c3csc(C)c3)n2)cc(Br)c1[O-] ZINC000685366280 1087545347 /nfs/dbraw/zinc/54/53/47/1087545347.db2.gz CASKBEOBJFMJPS-UHFFFAOYSA-N -1 1 367.224 4.250 20 0 FIADMM CCOc1cc(-c2noc([C@H]3Cc4ccc(F)cc43)n2)cc(Cl)c1[O-] ZINC000685364058 1087546487 /nfs/dbraw/zinc/54/64/87/1087546487.db2.gz JGEMQBDTWBEUJP-ZDUSSCGKSA-N -1 1 360.772 4.321 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000135962767 1087548018 /nfs/dbraw/zinc/54/80/18/1087548018.db2.gz PCSKFYXGJPPCSG-CYBMUJFWSA-N -1 1 357.435 4.051 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000172817481 1087574146 /nfs/dbraw/zinc/57/41/46/1087574146.db2.gz IMQZTSTZAQDKFC-SFHVURJKSA-N -1 1 361.441 4.224 20 0 FIADMM O=C(c1ncccc1[O-])N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000511319193 1087678572 /nfs/dbraw/zinc/67/85/72/1087678572.db2.gz IYYAQIYRNVWBNC-UHFFFAOYSA-N -1 1 373.865 4.070 20 0 FIADMM Cc1cccc(Cl)c1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000132418812 1087687262 /nfs/dbraw/zinc/68/72/62/1087687262.db2.gz WQFCRRIZSDICSH-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2OC)cc(Cl)c1[O-] ZINC000186640288 1087958633 /nfs/dbraw/zinc/95/86/33/1087958633.db2.gz ORPFQMLUPJVDSS-JTQLQIEISA-N -1 1 367.804 4.083 20 0 FIADMM CC[C@@H](C)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000504950759 1088000349 /nfs/dbraw/zinc/00/03/49/1088000349.db2.gz WKUFGIIDWQMTOD-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM CCOc1cc(C(=O)N[C@@](C)(CC)c2nc(C)cs2)cc(Cl)c1[O-] ZINC000186833108 1088001033 /nfs/dbraw/zinc/00/10/33/1088001033.db2.gz QUCUXVZSMULSJJ-KRWDZBQOSA-N -1 1 368.886 4.264 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(F)cc2NC2CC2)cc(Cl)c1[O-] ZINC000186863518 1088012691 /nfs/dbraw/zinc/01/26/91/1088012691.db2.gz XJQJQCBYMTWHHH-UHFFFAOYSA-N -1 1 364.804 4.410 20 0 FIADMM CCOc1cc(C(=O)N(C)c2ccc(OC)c(Cl)c2)cc(Cl)c1[O-] ZINC000186862167 1088021300 /nfs/dbraw/zinc/02/13/00/1088021300.db2.gz YEGKMUQTDJSQIP-UHFFFAOYSA-N -1 1 370.232 4.383 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](c2ccsc2)O1 ZINC000180709075 1088778199 /nfs/dbraw/zinc/77/81/99/1088778199.db2.gz HACBPHNHETUDNL-BMIGLBTASA-N -1 1 371.380 4.075 20 0 FIADMM CC(C)COC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000236621527 1088900993 /nfs/dbraw/zinc/90/09/93/1088900993.db2.gz LQLSTNPFMICQHR-CQSZACIVSA-N -1 1 368.817 4.050 20 0 FIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1c(Cl)cccc1Cl ZINC000188147878 1088905752 /nfs/dbraw/zinc/90/57/52/1088905752.db2.gz ATTGAUSCARXISN-UHFFFAOYSA-N -1 1 370.261 4.097 20 0 FIADMM N#Cc1ccccc1COc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000066746081 1088943094 /nfs/dbraw/zinc/94/30/94/1088943094.db2.gz FHYYLJJWCSQEJE-CXUHLZMHSA-N -1 1 352.440 4.466 20 0 FIADMM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccccc1[O-] ZINC000183408691 1088999772 /nfs/dbraw/zinc/99/97/72/1088999772.db2.gz PIUGEVXALLUSHS-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613663725 1089229462 /nfs/dbraw/zinc/22/94/62/1089229462.db2.gz AVXCQJGQECZVNX-UHFFFAOYSA-N -1 1 360.417 4.225 20 0 FIADMM CSc1ccc(Cl)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613664445 1089233765 /nfs/dbraw/zinc/23/37/65/1089233765.db2.gz OZQFIVPXLJOTOL-UHFFFAOYSA-N -1 1 359.838 4.410 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000613665368 1089248756 /nfs/dbraw/zinc/24/87/56/1089248756.db2.gz UJGBZOAXHUWIFO-UHFFFAOYSA-N -1 1 363.348 4.434 20 0 FIADMM Cc1cc(C(=O)CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)s1 ZINC000613667558 1089255848 /nfs/dbraw/zinc/25/58/48/1089255848.db2.gz YOGAHYAJGJFQRI-UHFFFAOYSA-N -1 1 369.446 4.062 20 0 FIADMM O=S(=O)([N-]c1ccc(Sc2ccncc2)cc1)c1ccc(F)cc1 ZINC000435128064 1089309830 /nfs/dbraw/zinc/30/98/30/1089309830.db2.gz BJNRIZLAOPEYTC-UHFFFAOYSA-N -1 1 360.435 4.173 20 0 FIADMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435421493 1089638201 /nfs/dbraw/zinc/63/82/01/1089638201.db2.gz JNIGHGHBUWFCQF-SECBINFHSA-N -1 1 366.241 4.025 20 0 FIADMM COc1cc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1Cl ZINC000435574169 1089766702 /nfs/dbraw/zinc/76/67/02/1089766702.db2.gz MMDQUJRMRUZZFZ-UHFFFAOYSA-N -1 1 371.824 4.016 20 0 FIADMM Cc1sc(Br)c(C(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC001625894431 1090075145 /nfs/dbraw/zinc/07/51/45/1090075145.db2.gz XLUCZMZMYZLSET-UHFFFAOYSA-N -1 1 362.195 4.364 20 0 FIADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000228315680 1090331961 /nfs/dbraw/zinc/33/19/61/1090331961.db2.gz FQLVBWQOJNCDDP-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM CCOc1cc(-c2noc(CCCC3CC3)n2)cc(Br)c1[O-] ZINC000643136319 1090439106 /nfs/dbraw/zinc/43/91/06/1090439106.db2.gz ILUKAUZOYSZXJU-UHFFFAOYSA-N -1 1 367.243 4.336 20 0 FIADMM O=C(C/C=C\c1ccc(Br)cc1)Nc1cc([O-])c(F)cc1F ZINC001625896224 1090612823 /nfs/dbraw/zinc/61/28/23/1090612823.db2.gz ISHBCQWXCUAGQO-UPHRSURJSA-N -1 1 368.177 4.475 20 0 FIADMM COc1cc(C)ccc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417561708 1090921608 /nfs/dbraw/zinc/92/16/08/1090921608.db2.gz BLCMERMFXMBNDZ-MRXNPFEDSA-N -1 1 367.367 4.328 20 0 FIADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000417562264 1090927457 /nfs/dbraw/zinc/92/74/57/1090927457.db2.gz CFMMSCLQHFQPIF-MSOLQXFVSA-N -1 1 374.506 4.424 20 0 FIADMM CC(C)(C)c1n[nH]cc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417577446 1090930267 /nfs/dbraw/zinc/93/02/67/1090930267.db2.gz JOMWCUXNLJFSGE-AWEZNQCLSA-N -1 1 369.387 4.032 20 0 FIADMM O=C([O-])[C@H]1C[C@H](NCc2c(F)cccc2OC(F)(F)F)c2ccccc21 ZINC000417636019 1090946701 /nfs/dbraw/zinc/94/67/01/1090946701.db2.gz XAHJUZKIQCOSSI-WFASDCNBSA-N -1 1 369.314 4.127 20 0 FIADMM C[C@@H]1CCc2nc(CN[C@H](C(=O)[O-])C(C3CCC3)C3CCC3)sc2C1 ZINC000417644809 1090953188 /nfs/dbraw/zinc/95/31/88/1090953188.db2.gz CGGIPYXCIJCZEK-BLVKFPJESA-N -1 1 362.539 4.027 20 0 FIADMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(Cl)c2)cc1Cl ZINC000191375229 1091067596 /nfs/dbraw/zinc/06/75/96/1091067596.db2.gz INIJOONUWJKTTK-JTQLQIEISA-N -1 1 369.229 4.025 20 0 FIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000511696945 1091536872 /nfs/dbraw/zinc/53/68/72/1091536872.db2.gz FYGSLGSLMXYDHA-UHFFFAOYSA-N -1 1 373.396 4.431 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc2c(c1)CCC2 ZINC000047417311 1091714263 /nfs/dbraw/zinc/71/42/63/1091714263.db2.gz SKSXNAOQUCXPGG-UHFFFAOYSA-N -1 1 356.472 4.100 20 0 FIADMM O=C(CCCc1ccc2c(c1)OCCCO2)Nc1ccc([O-])c(Cl)c1 ZINC000626228079 1091727465 /nfs/dbraw/zinc/72/74/65/1091727465.db2.gz XDWUIYOAEGJPNY-UHFFFAOYSA-N -1 1 361.825 4.168 20 0 FIADMM C[C@@H](N=c1ccc(N2C[C@H](C)C[C@@H]2c2cccnc2)n[n-]1)c1ccccc1 ZINC000644873212 1091967346 /nfs/dbraw/zinc/96/73/46/1091967346.db2.gz LLMHBIXJNSQQKP-MBOZVWFJSA-N -1 1 359.477 4.054 20 0 FIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432648512 1092026851 /nfs/dbraw/zinc/02/68/51/1092026851.db2.gz WTADBGLKODCPNO-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c2ccccc12 ZINC000182409938 1092285966 /nfs/dbraw/zinc/28/59/66/1092285966.db2.gz GIHHBXMUVXGRKL-UHFFFAOYSA-N -1 1 372.421 4.047 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1 ZINC000432773630 1092313556 /nfs/dbraw/zinc/31/35/56/1092313556.db2.gz IFDUMMFASASOFW-UHFFFAOYSA-N -1 1 367.854 4.051 20 0 FIADMM CCC(C)(C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000432800466 1092422209 /nfs/dbraw/zinc/42/22/09/1092422209.db2.gz NOGKHUDIHHBXIA-UHFFFAOYSA-N -1 1 365.065 4.292 20 0 FIADMM CC(C)CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000442413549 1092615740 /nfs/dbraw/zinc/61/57/40/1092615740.db2.gz RJCKHZSCVRLXQD-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3sc4nccc(C)c4c3C)[nH][n-]2)s1 ZINC000500849672 1092645241 /nfs/dbraw/zinc/64/52/41/1092645241.db2.gz XUDXUGSYHGLPTQ-UHFFFAOYSA-N -1 1 368.487 4.347 20 0 FIADMM COc1cc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc(Cl)c1[O-] ZINC000442861908 1092806109 /nfs/dbraw/zinc/80/61/09/1092806109.db2.gz NMNMIGHYZQOLMI-VIFPVBQESA-N -1 1 355.768 4.166 20 0 FIADMM COCCCOc1ccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)cc1 ZINC000473446820 1092874413 /nfs/dbraw/zinc/87/44/13/1092874413.db2.gz DWOQDMIFBOBQFF-UHFFFAOYSA-N -1 1 352.434 4.129 20 0 FIADMM COc1cc(C(=O)Nc2cnccc2Oc2ccccc2)cc(Cl)c1[O-] ZINC000442944369 1092878674 /nfs/dbraw/zinc/87/86/74/1092878674.db2.gz QNBRVBKKCNKZHM-UHFFFAOYSA-N -1 1 370.792 4.494 20 0 FIADMM COc1cc(C(=O)Nc2cccc(Br)c2C)cc(Cl)c1[O-] ZINC000442968407 1092894011 /nfs/dbraw/zinc/89/40/11/1092894011.db2.gz QBONTYZBZCFJGI-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442972991 1092900609 /nfs/dbraw/zinc/90/06/09/1092900609.db2.gz ZVJRMLGRHNUAHA-CQSZACIVSA-N -1 1 368.260 4.459 20 0 FIADMM COc1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)cc(Cl)c1[O-] ZINC000443042395 1092921941 /nfs/dbraw/zinc/92/19/41/1092921941.db2.gz CCFKEBYMCMFTTN-MRXNPFEDSA-N -1 1 369.795 4.460 20 0 FIADMM COc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)cc(Cl)c1[O-] ZINC000443054856 1092929366 /nfs/dbraw/zinc/92/93/66/1092929366.db2.gz AMLUVCBYSYPYNJ-KRWDZBQOSA-N -1 1 363.816 4.383 20 0 FIADMM COc1cc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)cc(Cl)c1[O-] ZINC000443126534 1092955333 /nfs/dbraw/zinc/95/53/33/1092955333.db2.gz BATODDNUDIHMJX-QWRGUYRKSA-N -1 1 363.816 4.341 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc(Cl)c1[O-] ZINC000443129785 1092956830 /nfs/dbraw/zinc/95/68/30/1092956830.db2.gz HHDZUWGMFVFUIH-ZNFPLGDCSA-N -1 1 357.837 4.372 20 0 FIADMM COc1cc(C(=O)NCCCCc2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000443132596 1092960623 /nfs/dbraw/zinc/96/06/23/1092960623.db2.gz SMEJGNPEMZEELY-UHFFFAOYSA-N -1 1 369.795 4.085 20 0 FIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1conc1C1CC1 ZINC000521947096 1092985396 /nfs/dbraw/zinc/98/53/96/1092985396.db2.gz WBGVPDWGHQNDIP-UHFFFAOYSA-N -1 1 364.789 4.115 20 0 FIADMM COc1cc(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc(Cl)c1[O-] ZINC000443211820 1092985486 /nfs/dbraw/zinc/98/54/86/1092985486.db2.gz ZMDUGHUJAHGYRA-LBPRGKRZSA-N -1 1 373.758 4.130 20 0 FIADMM CCOc1cc(-c2nc(-c3cccc(COC)c3)no2)cc(Cl)c1[O-] ZINC000443198006 1092987297 /nfs/dbraw/zinc/98/72/97/1092987297.db2.gz QXTQVRPDPKBKSJ-UHFFFAOYSA-N -1 1 360.797 4.308 20 0 FIADMM COc1cc(-c2nc(-c3cnc4ccsc4c3)no2)cc(Cl)c1[O-] ZINC000443204636 1092990011 /nfs/dbraw/zinc/99/00/11/1092990011.db2.gz PWEZAUGWKTUVMF-UHFFFAOYSA-N -1 1 359.794 4.381 20 0 FIADMM COc1cc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc(Cl)c1[O-] ZINC000443295334 1093038927 /nfs/dbraw/zinc/03/89/27/1093038927.db2.gz AKLPWICADLVIFW-AWEZNQCLSA-N -1 1 365.779 4.295 20 0 FIADMM COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc(Cl)c1[O-] ZINC000443303058 1093041420 /nfs/dbraw/zinc/04/14/20/1093041420.db2.gz QTHKYVIFFLAMNR-ONGXEEELSA-N -1 1 365.779 4.153 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(F)c3C)c2)n1 ZINC000443409815 1093099212 /nfs/dbraw/zinc/09/92/12/1093099212.db2.gz LUXFJBJXRXKNAR-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000443430945 1093126137 /nfs/dbraw/zinc/12/61/37/1093126137.db2.gz UUSFRZKTKDYTKB-UHFFFAOYSA-N -1 1 369.490 4.027 20 0 FIADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)s1 ZINC000443459598 1093157400 /nfs/dbraw/zinc/15/74/00/1093157400.db2.gz FUJMOJIBKJIIBJ-UHFFFAOYSA-N -1 1 351.280 4.176 20 0 FIADMM O=S(=O)(Cc1ccccc1)[N-]c1ccc(-c2ccc(Cl)s2)cn1 ZINC000433122417 1093272756 /nfs/dbraw/zinc/27/27/56/1093272756.db2.gz QKSJOMKRFLDRLY-UHFFFAOYSA-N -1 1 364.879 4.405 20 0 FIADMM C[C@@H](c1ccco1)N(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000094038390 1093279655 /nfs/dbraw/zinc/27/96/55/1093279655.db2.gz IARDQJMXEKXSJF-JTQLQIEISA-N -1 1 350.212 4.114 20 0 FIADMM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000509624190 1093304475 /nfs/dbraw/zinc/30/44/75/1093304475.db2.gz WQEJGCBRHCRSIG-UHFFFAOYSA-N -1 1 371.845 4.372 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000522398778 1093488015 /nfs/dbraw/zinc/48/80/15/1093488015.db2.gz NKSZURJBOGFZHQ-UHFFFAOYSA-N -1 1 352.459 4.475 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Cl)c(F)c1Cl ZINC000473486975 1093555129 /nfs/dbraw/zinc/55/51/29/1093555129.db2.gz IEGAJBRQVHRKKQ-UHFFFAOYSA-N -1 1 374.142 4.351 20 0 FIADMM CC/C(=C/C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000729014168 1093918493 /nfs/dbraw/zinc/91/84/93/1093918493.db2.gz AAEHCWWDFVUFDV-UVTDQMKNSA-N -1 1 350.370 4.035 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(C(C)C)c3)c2C)o1 ZINC000433616493 1094013710 /nfs/dbraw/zinc/01/37/10/1094013710.db2.gz HITIZAZPLANVHT-UHFFFAOYSA-N -1 1 359.451 4.211 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000513297974 1094050470 /nfs/dbraw/zinc/05/04/70/1094050470.db2.gz BSRNMHRQSLGQEQ-UHFFFAOYSA-N -1 1 365.373 4.367 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1F ZINC000433811511 1094110646 /nfs/dbraw/zinc/11/06/46/1094110646.db2.gz JWKCAOURANYQKT-UHFFFAOYSA-N -1 1 359.426 4.079 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H]3CCC4(CCC4)O3)n2)cc(Cl)c1[O-] ZINC000896205623 1094456652 /nfs/dbraw/zinc/45/66/52/1094456652.db2.gz TYPZGGMERFDNFY-LBPRGKRZSA-N -1 1 364.829 4.139 20 0 FIADMM CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)c1C ZINC000501741286 1094912690 /nfs/dbraw/zinc/91/26/90/1094912690.db2.gz XOBDVXKTIYNTSM-UHFFFAOYSA-N -1 1 353.397 4.149 20 0 FIADMM CCCN(CCC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000028492019 1094919318 /nfs/dbraw/zinc/91/93/18/1094919318.db2.gz NFQGRQWBBNVRTQ-UHFFFAOYSA-N -1 1 374.506 4.058 20 0 FIADMM COc1ccc(-c2nc(C3(c4cc(Cl)ccc4OC)CC3)no2)c([O-])c1 ZINC000420515214 1094965110 /nfs/dbraw/zinc/96/51/10/1094965110.db2.gz RIKAYIOKRZJHFK-UHFFFAOYSA-N -1 1 372.808 4.193 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)c(C)cc1Br ZINC000522639295 1095206158 /nfs/dbraw/zinc/20/61/58/1095206158.db2.gz DOXKGNCMBMMVMQ-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000428326628 1095688973 /nfs/dbraw/zinc/68/89/73/1095688973.db2.gz PQZFMQHXTBBJOU-CJNGLKHVSA-N -1 1 374.278 4.481 20 0 FIADMM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[nH]nc1-c1ccsc1 ZINC000444288035 1095928010 /nfs/dbraw/zinc/92/80/10/1095928010.db2.gz KZJOAPIXJZCLBZ-UHFFFAOYSA-N -1 1 354.218 4.403 20 0 FIADMM COc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC000502918109 1095964794 /nfs/dbraw/zinc/96/47/94/1095964794.db2.gz KTMVVXWOXDGUOW-UHFFFAOYSA-N -1 1 368.216 4.309 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CC2(C(F)(F)F)CC2)c1 ZINC000503861199 1096570188 /nfs/dbraw/zinc/57/01/88/1096570188.db2.gz NXHIZJQDLHAENX-UHFFFAOYSA-N -1 1 352.150 4.134 20 0 FIADMM O=C([N-]c1nnc(C(F)F)s1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000504093195 1096662956 /nfs/dbraw/zinc/66/29/56/1096662956.db2.gz ZNYZSJQWQDVEOG-UHFFFAOYSA-N -1 1 374.344 4.130 20 0 FIADMM CCSc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505731475 1098598738 /nfs/dbraw/zinc/59/87/38/1098598738.db2.gz NFDPYAUJBOZKRJ-UHFFFAOYSA-N -1 1 365.838 4.197 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2ccc(Br)cc2Cl)n1 ZINC000436207432 1098815191 /nfs/dbraw/zinc/81/51/91/1098815191.db2.gz HWIAJQIUNGRVOC-UHFFFAOYSA-N -1 1 359.676 4.453 20 0 FIADMM COCc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000515852886 1098988789 /nfs/dbraw/zinc/98/87/89/1098988789.db2.gz NGBFTWUZQTZOIR-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc2ccccc2c1[O-] ZINC000436523617 1099080011 /nfs/dbraw/zinc/08/00/11/1099080011.db2.gz UVXDXEVFLQEPOY-OAQYLSRUSA-N -1 1 354.409 4.460 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc2ccccc2c1[O-] ZINC000436523616 1099080451 /nfs/dbraw/zinc/08/04/51/1099080451.db2.gz UVXDXEVFLQEPOY-NRFANRHFSA-N -1 1 354.409 4.460 20 0 FIADMM CCOc1cccc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000436534729 1099088399 /nfs/dbraw/zinc/08/83/99/1099088399.db2.gz PMOYWAPBRMLLED-LBPRGKRZSA-N -1 1 363.841 4.334 20 0 FIADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436547521 1099095490 /nfs/dbraw/zinc/09/54/90/1099095490.db2.gz QVLNYACCMKKNHW-KCJUWKMLSA-N -1 1 355.278 4.214 20 0 FIADMM CN(C(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1)C1CCCCC1 ZINC000436561492 1099114686 /nfs/dbraw/zinc/11/46/86/1099114686.db2.gz JJWQVYWIJMXWET-UHFFFAOYSA-N -1 1 352.434 4.049 20 0 FIADMM CCn1cnnc1-c1ccccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436567984 1099118610 /nfs/dbraw/zinc/11/86/10/1099118610.db2.gz ZKNAYSASEQWATF-UHFFFAOYSA-N -1 1 350.422 4.046 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000436569434 1099120410 /nfs/dbraw/zinc/12/04/10/1099120410.db2.gz DNAQOPNCGLZUHG-UHFFFAOYSA-N -1 1 355.409 4.051 20 0 FIADMM O=C(C[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436591288 1099123282 /nfs/dbraw/zinc/12/32/82/1099123282.db2.gz VVGHGNLRXWSMRT-IBGZPJMESA-N -1 1 359.425 4.423 20 0 FIADMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436573093 1099123757 /nfs/dbraw/zinc/12/37/57/1099123757.db2.gz GVJMHNHYEWCDMZ-SFHVURJKSA-N -1 1 367.424 4.439 20 0 FIADMM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436593475 1099125680 /nfs/dbraw/zinc/12/56/80/1099125680.db2.gz DWFDLQAPXISXAK-UHFFFAOYSA-N -1 1 355.331 4.087 20 0 FIADMM Cc1nc2ccccc2n1CCc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436583867 1099132231 /nfs/dbraw/zinc/13/22/31/1099132231.db2.gz KQVKBIRMPDOAJE-UHFFFAOYSA-N -1 1 370.412 4.496 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(CCc1ccccc1)[C@H]1CCOC1 ZINC000436582622 1099132321 /nfs/dbraw/zinc/13/23/21/1099132321.db2.gz IRZSGRFQLVNETA-FQEVSTJZSA-N -1 1 361.441 4.019 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1/C=C\c1ccccc1 ZINC000436626447 1099154388 /nfs/dbraw/zinc/15/43/88/1099154388.db2.gz IWQZSVYRPVAMFF-YHWKNFMLSA-N -1 1 372.262 4.473 20 0 FIADMM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccc(O)cc1[O-] ZINC000436623301 1099169450 /nfs/dbraw/zinc/16/94/50/1099169450.db2.gz IACQTCPNKRVQEI-UHFFFAOYSA-N -1 1 372.396 4.008 20 0 FIADMM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1c([O-])cccc1F ZINC000436652219 1099174889 /nfs/dbraw/zinc/17/48/89/1099174889.db2.gz LBBLVZCKPXTMRK-HNNXBMFYSA-N -1 1 352.287 4.046 20 0 FIADMM CCC(=O)c1ccc(O)c(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436646152 1099189074 /nfs/dbraw/zinc/18/90/74/1099189074.db2.gz NPTANECERGPAIB-UHFFFAOYSA-N -1 1 354.189 4.250 20 0 FIADMM C[C@H]1CCCN(c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)ccn2)C1 ZINC000436657632 1099191184 /nfs/dbraw/zinc/19/11/84/1099191184.db2.gz MBSRCMSYWKUHET-LBPRGKRZSA-N -1 1 370.840 4.394 20 0 FIADMM CCOc1cc(-c2nc(-c3ncsc3Cl)no2)cc(Cl)c1[O-] ZINC000436659832 1099206485 /nfs/dbraw/zinc/20/64/85/1099206485.db2.gz AEGQOEBWZBOKEZ-UHFFFAOYSA-N -1 1 358.206 4.271 20 0 FIADMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000436689477 1099222751 /nfs/dbraw/zinc/22/27/51/1099222751.db2.gz OCIKFVZIPCYPRH-UYAOXDASSA-N -1 1 369.367 4.084 20 0 FIADMM O=C(Nc1nc2c(cccc2Br)s1)c1ccc([O-])cc1F ZINC000436714436 1099247188 /nfs/dbraw/zinc/24/71/88/1099247188.db2.gz UFMROSICRZRVBA-UHFFFAOYSA-N -1 1 367.199 4.156 20 0 FIADMM O=C(c1ccccc1[O-])N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000436720253 1099253941 /nfs/dbraw/zinc/25/39/41/1099253941.db2.gz SIUJQIAWENDMEK-UHFFFAOYSA-N -1 1 358.441 4.449 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000436736241 1099256487 /nfs/dbraw/zinc/25/64/87/1099256487.db2.gz FZDMGOPOQGQCQK-UHFFFAOYSA-N -1 1 356.372 4.172 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](c2ccccc2)CO1 ZINC000436750064 1099283578 /nfs/dbraw/zinc/28/35/78/1099283578.db2.gz DXBRRSFQZHECME-MLGOLLRUSA-N -1 1 365.351 4.013 20 0 FIADMM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751973 1099286269 /nfs/dbraw/zinc/28/62/69/1099286269.db2.gz PGGRNQKTYVJDMV-UHFFFAOYSA-N -1 1 357.759 4.379 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000436768700 1099309917 /nfs/dbraw/zinc/30/99/17/1099309917.db2.gz XSAPFMHCMNUUBZ-OAHLLOKOSA-N -1 1 374.278 4.250 20 0 FIADMM CCSc1cccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)c1 ZINC000436787033 1099317706 /nfs/dbraw/zinc/31/77/06/1099317706.db2.gz LXRWFBFBIJHHGT-UHFFFAOYSA-N -1 1 355.419 4.180 20 0 FIADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436796687 1099327663 /nfs/dbraw/zinc/32/76/63/1099327663.db2.gz XDIHQRDNFDIWBZ-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM Cc1cccc(Oc2ncccc2NC(=O)c2ccc(O)cc2[O-])c1C ZINC000436816252 1099341434 /nfs/dbraw/zinc/34/14/34/1099341434.db2.gz NOGBIQPDBBTMGT-UHFFFAOYSA-N -1 1 350.374 4.154 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1OCCc2sccc21 ZINC000436824623 1099350779 /nfs/dbraw/zinc/35/07/79/1099350779.db2.gz HXRDEZAFFNMCKF-CWTRNNRKSA-N -1 1 353.443 4.039 20 0 FIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Cl ZINC000105589523 1099352947 /nfs/dbraw/zinc/35/29/47/1099352947.db2.gz LWRLWCVWHGPMFN-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(OCC(C)C)c1 ZINC000436869885 1099379996 /nfs/dbraw/zinc/37/99/96/1099379996.db2.gz CFURRWHMGNNRIW-UHFFFAOYSA-N -1 1 358.369 4.292 20 0 FIADMM O=C(c1ccccc1)N1CCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872198 1099383567 /nfs/dbraw/zinc/38/35/67/1099383567.db2.gz LQGWCORDGOPYPP-MRXNPFEDSA-N -1 1 369.808 4.073 20 0 FIADMM Cc1ccc(-n2nc(C(=O)Nc3ccc([O-])c(Cl)c3)c3c2CCC3)cc1 ZINC000436857658 1099391635 /nfs/dbraw/zinc/39/16/35/1099391635.db2.gz CYBVCLWTYGLABQ-UHFFFAOYSA-N -1 1 367.836 4.281 20 0 FIADMM CCC(CC)n1nccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000436894680 1099391848 /nfs/dbraw/zinc/39/18/48/1099391848.db2.gz RLKLSLNLTQHGAD-UHFFFAOYSA-N -1 1 366.259 4.273 20 0 FIADMM Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436894750 1099392908 /nfs/dbraw/zinc/39/29/08/1099392908.db2.gz RYRDGHFBCFPHJW-UHFFFAOYSA-N -1 1 369.852 4.181 20 0 FIADMM CC(C)(CC(=O)c1ccccc1)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436879805 1099396380 /nfs/dbraw/zinc/39/63/80/1099396380.db2.gz ORNPLYPLDDFEGA-UHFFFAOYSA-N -1 1 354.381 4.423 20 0 FIADMM Cn1nc(C(F)F)c2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)sc21 ZINC000436881567 1099398573 /nfs/dbraw/zinc/39/85/73/1099398573.db2.gz XHWITXRFMKWXSJ-UHFFFAOYSA-N -1 1 366.324 4.134 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C(C)(C)c3ccc(Cl)cc3)no2)c1 ZINC000436896912 1099423583 /nfs/dbraw/zinc/42/35/83/1099423583.db2.gz UXLMTSBKBCJJBQ-UHFFFAOYSA-N -1 1 371.824 4.380 20 0 FIADMM Cc1ccnc(Oc2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc2C)c1 ZINC000436919741 1099434701 /nfs/dbraw/zinc/43/47/01/1099434701.db2.gz DSUFJPCPMMKDTR-UHFFFAOYSA-N -1 1 362.385 4.018 20 0 FIADMM O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000436927496 1099442997 /nfs/dbraw/zinc/44/29/97/1099442997.db2.gz OENDFWHTVCPYFQ-INIZCTEOSA-N -1 1 364.228 4.149 20 0 FIADMM Cc1cnc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)s1 ZINC000436952376 1099468467 /nfs/dbraw/zinc/46/84/67/1099468467.db2.gz XCUAAPHZABRGQT-UHFFFAOYSA-N -1 1 370.396 4.196 20 0 FIADMM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc([O-])cc1F ZINC000436954058 1099469526 /nfs/dbraw/zinc/46/95/26/1099469526.db2.gz DOHJCKOJXOXPET-AWEZNQCLSA-N -1 1 369.421 4.103 20 0 FIADMM O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccc([O-])cc1F ZINC000436990320 1099493782 /nfs/dbraw/zinc/49/37/82/1099493782.db2.gz OTRGMVKEALIWEI-UHFFFAOYSA-N -1 1 367.764 4.095 20 0 FIADMM Cc1ccccc1COc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000437001963 1099521281 /nfs/dbraw/zinc/52/12/81/1099521281.db2.gz RPYXYFRORRUYCQ-UHFFFAOYSA-N -1 1 361.397 4.101 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000516716629 1099750772 /nfs/dbraw/zinc/75/07/72/1099750772.db2.gz FKBBHDRVIJWWLY-SJORKVTESA-N -1 1 367.493 4.102 20 0 FIADMM COc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1OC1CCCC1 ZINC000263440412 1099791050 /nfs/dbraw/zinc/79/10/50/1099791050.db2.gz WFFRDTSKBVSMBQ-UHFFFAOYSA-N -1 1 355.434 4.005 20 0 FIADMM CN(Cc1cccc([O-])c1Cl)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000508724542 1099943155 /nfs/dbraw/zinc/94/31/55/1099943155.db2.gz AIYUATARYCSAJT-UHFFFAOYSA-N -1 1 371.767 4.008 20 0 FIADMM CCOc1cc(CN(C)Cc2ccsc2C(=O)[O-])ccc1OC(F)F ZINC000517159128 1100133669 /nfs/dbraw/zinc/13/36/69/1100133669.db2.gz MFQRSKQNIVODSP-UHFFFAOYSA-N -1 1 371.405 4.078 20 0 FIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)C(C)(C)C)cc3)ccc2O1 ZINC000425953943 1100479779 /nfs/dbraw/zinc/47/97/79/1100479779.db2.gz MACSLGXJUAQLHW-ZDUSSCGKSA-N -1 1 373.474 4.040 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000438765709 1100904723 /nfs/dbraw/zinc/90/47/23/1100904723.db2.gz PJBKHNCWOPDDBM-UHFFFAOYSA-N -1 1 362.451 4.422 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000438771336 1100908257 /nfs/dbraw/zinc/90/82/57/1100908257.db2.gz KEQXKLVTEVROCS-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc2c(c1)CCC2 ZINC000438779353 1100914185 /nfs/dbraw/zinc/91/41/85/1100914185.db2.gz OGKHWSZKYFQUCH-UHFFFAOYSA-N -1 1 355.381 4.081 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)Nc3nc(-c4cccs4)cs3)cnc2n1 ZINC000438892188 1101005140 /nfs/dbraw/zinc/00/51/40/1101005140.db2.gz FMEXBKJMFDFCCQ-UHFFFAOYSA-N -1 1 368.443 4.081 20 0 FIADMM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([O-])c(F)c1 ZINC000666044928 1101326750 /nfs/dbraw/zinc/32/67/50/1101326750.db2.gz YXWVMXXSABCUQD-AWEZNQCLSA-N -1 1 372.440 4.028 20 0 FIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(Cl)ccc2Cl)no1 ZINC000506552645 1101357573 /nfs/dbraw/zinc/35/75/73/1101357573.db2.gz MCZFAEZRWGSZMS-UHFFFAOYSA-N -1 1 363.266 4.221 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000537037675 1101411206 /nfs/dbraw/zinc/41/12/06/1101411206.db2.gz URMSEJAGNNVSDI-UHFFFAOYSA-N -1 1 359.472 4.362 20 0 FIADMM Cc1ccc(NC(=O)C(C)(C)C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000439417194 1101417407 /nfs/dbraw/zinc/41/74/07/1101417407.db2.gz TUCGSFIQDZBJQJ-UHFFFAOYSA-N -1 1 374.506 4.417 20 0 FIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506583534 1101456434 /nfs/dbraw/zinc/45/64/34/1101456434.db2.gz JBEVVHQHPVIELB-UHFFFAOYSA-N -1 1 366.442 4.113 20 0 FIADMM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([O-])cc1F ZINC000181264525 1101588664 /nfs/dbraw/zinc/58/86/64/1101588664.db2.gz JBHBPUSEXMIKLL-GOSISDBHSA-N -1 1 356.784 4.099 20 0 FIADMM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([O-])cc1F ZINC000181264543 1101589255 /nfs/dbraw/zinc/58/92/55/1101589255.db2.gz JBHBPUSEXMIKLL-SFHVURJKSA-N -1 1 356.784 4.099 20 0 FIADMM O=C([O-])c1ccccc1OCCN1Cc2ccccc2-c2ccccc2C1 ZINC000183920479 1101642472 /nfs/dbraw/zinc/64/24/72/1101642472.db2.gz WKFLRVNLPCMWIC-UHFFFAOYSA-N -1 1 359.425 4.446 20 0 FIADMM CN(Cc1ccccc1Br)C(=O)c1cc(Cl)ccc1[O-] ZINC000023572450 1101643372 /nfs/dbraw/zinc/64/33/72/1101643372.db2.gz CAGQUPKHOWQPGF-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM CC(C)(C)OC(=O)c1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000518841498 1101647058 /nfs/dbraw/zinc/64/70/58/1101647058.db2.gz SHYKMYBIPOOJNQ-UHFFFAOYSA-N -1 1 368.405 4.367 20 0 FIADMM COc1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)cc(Cl)c1[O-] ZINC000460192779 1101693713 /nfs/dbraw/zinc/69/37/13/1101693713.db2.gz LZXWVVPWMTZCMD-UHFFFAOYSA-N -1 1 366.244 4.169 20 0 FIADMM COc1cc(C(=O)N(C)Cc2cccc3ccccc32)cc(Cl)c1[O-] ZINC000460196090 1101697153 /nfs/dbraw/zinc/69/71/53/1101697153.db2.gz UWZIOLUNBUCXBE-UHFFFAOYSA-N -1 1 355.821 4.480 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3nc(C)cs3)c2)c1 ZINC000102481965 1101715761 /nfs/dbraw/zinc/71/57/61/1101715761.db2.gz AFLZUXXNLOGWCL-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000024578636 1101860411 /nfs/dbraw/zinc/86/04/11/1101860411.db2.gz QSNITWFIWVUPTN-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263117496 1101896959 /nfs/dbraw/zinc/89/69/59/1101896959.db2.gz LRMZTBMLBAGAMC-CHWSQXEVSA-N -1 1 363.845 4.028 20 0 FIADMM Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([O-])c(Cl)c3)CCC2=O)cc1C ZINC000760383184 1101944709 /nfs/dbraw/zinc/94/47/09/1101944709.db2.gz VXHKKZLSCOFZOO-AWEZNQCLSA-N -1 1 372.852 4.044 20 0 FIADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000475825286 1101991523 /nfs/dbraw/zinc/99/15/23/1101991523.db2.gz KYBUKWXIAAAJTI-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)c1cncc([O-])c1 ZINC000440124105 1102046115 /nfs/dbraw/zinc/04/61/15/1102046115.db2.gz UKIAGBQYBHPAKU-SFHVURJKSA-N -1 1 374.774 4.238 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1 ZINC000476283387 1102100748 /nfs/dbraw/zinc/10/07/48/1102100748.db2.gz HIMKGAZMPCUHEV-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000666420526 1102194732 /nfs/dbraw/zinc/19/47/32/1102194732.db2.gz DFORVYPZBRFSAM-UHFFFAOYSA-N -1 1 358.463 4.269 20 0 FIADMM O=C([O-])CCc1cccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000263499326 1102198096 /nfs/dbraw/zinc/19/80/96/1102198096.db2.gz KJQQQSOFKHOIOK-UHFFFAOYSA-N -1 1 372.896 4.434 20 0 FIADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000053209289 1102222052 /nfs/dbraw/zinc/22/20/52/1102222052.db2.gz VNYLBMYWAUGEJF-UHFFFAOYSA-N -1 1 352.375 4.014 20 0 FIADMM CSc1ccc([O-])c(-c2nc(-c3ccnc(OC4CCC4)c3)no2)c1 ZINC000664803967 1102291929 /nfs/dbraw/zinc/29/19/29/1102291929.db2.gz CUTCZRNXIBQGQF-UHFFFAOYSA-N -1 1 355.419 4.157 20 0 FIADMM O=C([O-])c1ccccc1C1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000666586425 1102307034 /nfs/dbraw/zinc/30/70/34/1102307034.db2.gz QGHYXJAUNYTMPP-UHFFFAOYSA-N -1 1 361.445 4.155 20 0 FIADMM O=S(=O)([N-]c1ccccc1Br)c1cccc(Cl)c1F ZINC000048652120 1102402190 /nfs/dbraw/zinc/40/21/90/1102402190.db2.gz INECAEFYWWXTRS-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000473659720 1102430104 /nfs/dbraw/zinc/43/01/04/1102430104.db2.gz LSXDXSUCNALECB-UWVGGRQHSA-N -1 1 373.325 4.084 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000121716787 1102442720 /nfs/dbraw/zinc/44/27/20/1102442720.db2.gz RZCPVYIKIICTPU-UHFFFAOYSA-N -1 1 360.413 4.194 20 0 FIADMM Cc1nc(CNCc2ccc(-c3ccc(F)cc3)s2)ccc1C(=O)[O-] ZINC000426663083 1102538505 /nfs/dbraw/zinc/53/85/05/1102538505.db2.gz ZXXJFFXVDBXPNQ-UHFFFAOYSA-N -1 1 356.422 4.246 20 0 FIADMM CCC(CC)(CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000303844388 1102589831 /nfs/dbraw/zinc/58/98/31/1102589831.db2.gz DNTNITNDWLFZRI-UHFFFAOYSA-N -1 1 374.506 4.186 20 0 FIADMM CC[C@H](C)CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188715569 1102689997 /nfs/dbraw/zinc/68/99/97/1102689997.db2.gz SNXXJGALEZBRQO-AWEZNQCLSA-N -1 1 360.479 4.171 20 0 FIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnc(-c2ccsc2)s1 ZINC000112237108 1102833767 /nfs/dbraw/zinc/83/37/67/1102833767.db2.gz CUONIVCSRGTGQY-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1ccc(-c2cccc(F)c2F)o1 ZINC000426677944 1102923227 /nfs/dbraw/zinc/92/32/27/1102923227.db2.gz AUGNFUNDOOOIBW-UHFFFAOYSA-N -1 1 357.356 4.142 20 0 FIADMM CCOc1cc(-c2noc([C@@H](OC)C3CCCC3)n2)cc(Cl)c1[O-] ZINC000664847054 1102936540 /nfs/dbraw/zinc/93/65/40/1102936540.db2.gz VAMCXFKAFCIPTO-HNNXBMFYSA-N -1 1 352.818 4.372 20 0 FIADMM Cc1cc(C)cc([C@@H](NCc2cc(C(F)(F)F)ccc2F)C(=O)[O-])c1 ZINC000426743236 1102960166 /nfs/dbraw/zinc/96/01/66/1102960166.db2.gz NJJQQBLEOQVEIZ-MRXNPFEDSA-N -1 1 355.331 4.377 20 0 FIADMM CC(C)n1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000426753991 1102969410 /nfs/dbraw/zinc/96/94/10/1102969410.db2.gz MSPQGMSJRTXUSD-OAHLLOKOSA-N -1 1 356.253 4.076 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)ccc1Br)c1ccccc1 ZINC000426757202 1102971714 /nfs/dbraw/zinc/97/17/14/1102971714.db2.gz CDXDRWBNHAEUJM-BDJLRTHQSA-N -1 1 366.230 4.140 20 0 FIADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccnc1OCc1ccccc1 ZINC000729664437 1102976749 /nfs/dbraw/zinc/97/67/49/1102976749.db2.gz KDOWBCLZMQJIJB-FYWRMAATSA-N -1 1 366.442 4.073 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1F)c1ccc(Br)cc1 ZINC000426797175 1102996395 /nfs/dbraw/zinc/99/63/95/1102996395.db2.gz FMLXDCGAROMRFO-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)(C)C)cc2)c1OC ZINC000426803086 1103000283 /nfs/dbraw/zinc/00/02/83/1103000283.db2.gz KEWFBGNYLQSSKS-GOSISDBHSA-N -1 1 371.477 4.307 20 0 FIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(OCc3ccccc3)c2)o1 ZINC000426803529 1103000918 /nfs/dbraw/zinc/00/09/18/1103000918.db2.gz NEENZVDLWYCNGU-FQEVSTJZSA-N -1 1 365.429 4.473 20 0 FIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)c(Br)c2)o1 ZINC000426804925 1103002846 /nfs/dbraw/zinc/00/28/46/1103002846.db2.gz XGVLFENMZZOSMN-ZDUSSCGKSA-N -1 1 372.646 4.310 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(F)ccc1F)c1cccc(Br)c1 ZINC000426810810 1103007234 /nfs/dbraw/zinc/00/72/34/1103007234.db2.gz QGHSQGJBOUQANQ-OAHLLOKOSA-N -1 1 370.193 4.033 20 0 FIADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2nc3ccccc3n2C)cc1 ZINC000426822279 1103016843 /nfs/dbraw/zinc/01/68/43/1103016843.db2.gz AWLQQCOJAQUXOT-GOSISDBHSA-N -1 1 351.450 4.002 20 0 FIADMM CCN(C(=O)c1ncccc1[O-])[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000426829198 1103027281 /nfs/dbraw/zinc/02/72/81/1103027281.db2.gz OBFZZYQGXOFEFL-IBGZPJMESA-N -1 1 367.836 4.087 20 0 FIADMM COc1ccc([C@@H](NCc2cc(Cl)ccc2Cl)C(=O)[O-])cc1F ZINC000426837653 1103031657 /nfs/dbraw/zinc/03/16/57/1103031657.db2.gz XYNVDTHBAYVGJU-OAHLLOKOSA-N -1 1 358.196 4.057 20 0 FIADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000532712097 1103040237 /nfs/dbraw/zinc/04/02/37/1103040237.db2.gz QGGFSIWBICKPAK-MRXNPFEDSA-N -1 1 360.498 4.059 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)cc(Cl)c1[O-] ZINC000426952182 1103124097 /nfs/dbraw/zinc/12/40/97/1103124097.db2.gz VLOXJXAPJXCJBL-DVOMOZLQSA-N -1 1 359.853 4.461 20 0 FIADMM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000507277239 1103262691 /nfs/dbraw/zinc/26/26/91/1103262691.db2.gz HOULFYCMDSIHNV-MRVPVSSYSA-N -1 1 368.282 4.104 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)ccc1Cl ZINC000427299885 1103425380 /nfs/dbraw/zinc/42/53/80/1103425380.db2.gz AHJZDCCFDIEMGX-UHFFFAOYSA-N -1 1 368.867 4.068 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1-c1cccc(Cl)c1 ZINC000445459540 1103933266 /nfs/dbraw/zinc/93/32/66/1103933266.db2.gz CNHNURKHRGFBGI-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(C(C)(C)C)n2)c(F)c1F ZINC000461096076 1104092996 /nfs/dbraw/zinc/09/29/96/1104092996.db2.gz SQEKEMYVOIAMFX-UHFFFAOYSA-N -1 1 356.369 4.313 20 0 FIADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000520397646 1104322586 /nfs/dbraw/zinc/32/25/86/1104322586.db2.gz MWPCNPRKWDARDO-ZDUSSCGKSA-N -1 1 352.365 4.210 20 0 FIADMM CCOc1cc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cc(Cl)c1[O-] ZINC000189943916 1104861686 /nfs/dbraw/zinc/86/16/86/1104861686.db2.gz IJUBEOYSOXWOSB-UHFFFAOYSA-N -1 1 367.873 4.008 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1csc(-c2ccoc2)n1 ZINC000152390185 1105070390 /nfs/dbraw/zinc/07/03/90/1105070390.db2.gz PLUWVWYTYLVBFQ-ONEGZZNKSA-N -1 1 370.415 4.270 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3ncccc23)ccc1OC(C)C ZINC000536458119 1105142311 /nfs/dbraw/zinc/14/23/11/1105142311.db2.gz FBFVBLZRGUAIJM-UHFFFAOYSA-N -1 1 356.447 4.131 20 0 FIADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000427658582 1105240060 /nfs/dbraw/zinc/24/00/60/1105240060.db2.gz ZSOJZCMRHABTEQ-MEDUHNTESA-N -1 1 350.340 4.029 20 0 FIADMM Cc1cnc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c([O-])c1 ZINC000427749370 1105266411 /nfs/dbraw/zinc/26/64/11/1105266411.db2.gz PAPRUXSOQAYEJC-UHFFFAOYSA-N -1 1 364.367 4.134 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccsc1 ZINC000507983813 1105288211 /nfs/dbraw/zinc/28/82/11/1105288211.db2.gz CQHQTNWJXSGWGJ-UHFFFAOYSA-N -1 1 355.444 4.092 20 0 FIADMM COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2ncccc2[O-])c1 ZINC000427918237 1105313886 /nfs/dbraw/zinc/31/38/86/1105313886.db2.gz UVEOEOWUKMZVLY-KNQAVFIVSA-N -1 1 374.440 4.167 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)CCCC(F)(F)F)cc(Cl)c1[O-] ZINC000427971337 1105332867 /nfs/dbraw/zinc/33/28/67/1105332867.db2.gz LYGSTDKTBBACRL-VIFPVBQESA-N -1 1 353.768 4.295 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(C)C)c1 ZINC000530146306 1106862407 /nfs/dbraw/zinc/86/24/07/1106862407.db2.gz CXBSIKJOXRGUOK-UHFFFAOYSA-N -1 1 353.871 4.411 20 0 FIADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@@]3(CCc4ccccc4O3)C2)c1 ZINC000530171349 1106902656 /nfs/dbraw/zinc/90/26/56/1106902656.db2.gz BHECHRPARKZLFM-OAQYLSRUSA-N -1 1 371.864 4.398 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(NCC(F)(F)F)c2)c(C)s1 ZINC000451087742 1106922204 /nfs/dbraw/zinc/92/22/04/1106922204.db2.gz JERKASDWGAZHJU-UHFFFAOYSA-N -1 1 364.414 4.140 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000530312512 1106960398 /nfs/dbraw/zinc/96/03/98/1106960398.db2.gz AHEIJSMVBQNIKT-IUODEOHRSA-N -1 1 363.816 4.259 20 0 FIADMM Cc1nc(-c2ccc(NCc3cccc(C(F)(F)F)c3)nc2)[n-]c(=O)c1C ZINC000301197247 1106960643 /nfs/dbraw/zinc/96/06/43/1106960643.db2.gz ZQPVAUBSXGVJST-UHFFFAOYSA-N -1 1 374.366 4.492 20 0 FIADMM CCOc1cccc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301352240 1107001595 /nfs/dbraw/zinc/00/15/95/1107001595.db2.gz JGINPQWVBBZYRR-HNNXBMFYSA-N -1 1 364.449 4.433 20 0 FIADMM Cc1nc(-c2ccc(NCCc3ccccc3Cl)nc2)[n-]c(=O)c1C ZINC000301369331 1107006683 /nfs/dbraw/zinc/00/66/83/1107006683.db2.gz OWKKBHDSIDTPGB-UHFFFAOYSA-N -1 1 354.841 4.169 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCc4cc(F)ccc43)nc2)[n-]c(=O)c1C ZINC000301383713 1107012704 /nfs/dbraw/zinc/01/27/04/1107012704.db2.gz VVMQTDVBCAUIAQ-KRWDZBQOSA-N -1 1 350.397 4.100 20 0 FIADMM Cc1nc(-c2ccc(NC[C@@H]3CCCO[C@@H]3C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000301410831 1107021212 /nfs/dbraw/zinc/02/12/12/1107021212.db2.gz YCJTVSIKOZWUNU-YJBOKZPZSA-N -1 1 370.497 4.114 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](c4ccccc4)[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301436077 1107030213 /nfs/dbraw/zinc/03/02/13/1107030213.db2.gz HKJPGJAPVOYMTD-YWZLYKJASA-N -1 1 374.488 4.491 20 0 FIADMM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(CC)CC ZINC000301608313 1107087313 /nfs/dbraw/zinc/08/73/13/1107087313.db2.gz ZYBKAUGDAZOKEC-IAGOWNOFSA-N -1 1 370.497 4.257 20 0 FIADMM CC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1c(C)noc1C ZINC000301832889 1107173450 /nfs/dbraw/zinc/17/34/50/1107173450.db2.gz RSSPQQGEPVMKLB-OAHLLOKOSA-N -1 1 353.426 4.029 20 0 FIADMM Cc1nc(-c2ccc(N(C)Cc3ccc(Cl)c(F)c3)nc2)[n-]c(=O)c1C ZINC000301895520 1107201528 /nfs/dbraw/zinc/20/15/28/1107201528.db2.gz UATMKWYNCPYZMV-UHFFFAOYSA-N -1 1 372.831 4.290 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1 ZINC000614737968 1107446216 /nfs/dbraw/zinc/44/62/16/1107446216.db2.gz UCGFESGMCVGXBP-UHFFFAOYSA-N -1 1 374.506 4.267 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2ccc(F)c(C)c2)cc(Cl)c1[O-] ZINC000444426145 1107664539 /nfs/dbraw/zinc/66/45/39/1107664539.db2.gz PDICYIMKPQCGKV-UHFFFAOYSA-N -1 1 351.805 4.164 20 0 FIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2n1 ZINC000531247566 1107695145 /nfs/dbraw/zinc/69/51/45/1107695145.db2.gz ZFSNIIOGKUMMMK-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CCCn1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C1CC1 ZINC000452465486 1107730370 /nfs/dbraw/zinc/73/03/70/1107730370.db2.gz LZSBSDZYSOWIFN-UHFFFAOYSA-N -1 1 353.344 4.147 20 0 FIADMM CC(C)c1cccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000261396696 1107742645 /nfs/dbraw/zinc/74/26/45/1107742645.db2.gz JISITMVGWWTUFW-UHFFFAOYSA-N -1 1 371.384 4.055 20 0 FIADMM CCNc1cnc(-c2nc3sc(C)c(C[C@@H](C)CC)c3c(=O)[n-]2)cn1 ZINC000487497670 1107764556 /nfs/dbraw/zinc/76/45/56/1107764556.db2.gz BXNKOMAKCZMXNK-JTQLQIEISA-N -1 1 357.483 4.183 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)co1 ZINC000614782293 1107775469 /nfs/dbraw/zinc/77/54/69/1107775469.db2.gz NAWPXAQXWIDWNP-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CCOc1cc(C(=O)Nc2nc(C3CCC3)cs2)cc(Cl)c1[O-] ZINC000444533234 1107976512 /nfs/dbraw/zinc/97/65/12/1107976512.db2.gz YNIIUDZCUNUQQQ-UHFFFAOYSA-N -1 1 352.843 4.421 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)C1CCC(C(F)(F)F)CC1 ZINC000444826397 1108200209 /nfs/dbraw/zinc/20/02/09/1108200209.db2.gz ZWPVCHICWFBNAM-UHFFFAOYSA-N -1 1 373.325 4.084 20 0 FIADMM CCOc1cc(-c2nc([C@@H](Cc3ccccc3)OC)no2)cc(Cl)c1[O-] ZINC000453212061 1108282463 /nfs/dbraw/zinc/28/24/63/1108282463.db2.gz BQXCWIXQWJKXBY-MRXNPFEDSA-N -1 1 374.824 4.425 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)c1C ZINC000532121945 1108667923 /nfs/dbraw/zinc/66/79/23/1108667923.db2.gz XRQSPKSDZUGTBM-UHFFFAOYSA-N -1 1 355.872 4.004 20 0 FIADMM CCOc1cc(-c2noc(C[C@H]3CCO[C@@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445413327 1108722061 /nfs/dbraw/zinc/72/20/61/1108722061.db2.gz YFMNOLZNBXCPCE-AAEUAGOBSA-N -1 1 366.845 4.242 20 0 FIADMM CC[C@@H](SC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445398444 1108726164 /nfs/dbraw/zinc/72/61/64/1108726164.db2.gz UXUOKGLNJJNZMM-SNVBAGLBSA-N -1 1 359.245 4.027 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3ncccc3C)n2)cc(Cl)c1[O-] ZINC000445409549 1108733129 /nfs/dbraw/zinc/73/31/29/1108733129.db2.gz ARIPCEMYXFJRBE-VOTSOKGWSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc([C@H]3COc4ccccc4O3)n2)cc(Cl)c1[O-] ZINC000445407897 1108733485 /nfs/dbraw/zinc/73/34/85/1108733485.db2.gz VUFVPJGYJCMHCR-OAHLLOKOSA-N -1 1 374.780 4.007 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc4nccnc43)n2)cc(Cl)c1[O-] ZINC000445422879 1108734227 /nfs/dbraw/zinc/73/42/27/1108734227.db2.gz RVDGKALEFQUQPK-UHFFFAOYSA-N -1 1 368.780 4.105 20 0 FIADMM CCOc1cc(-c2noc(-c3cnc4ccccc4n3)n2)cc(Cl)c1[O-] ZINC000445428695 1108739555 /nfs/dbraw/zinc/73/95/55/1108739555.db2.gz WMUUFCFIJADXDT-UHFFFAOYSA-N -1 1 368.780 4.105 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(-c4ccncc4)s3)n2)c(Cl)c1 ZINC000445449216 1108751383 /nfs/dbraw/zinc/75/13/83/1108751383.db2.gz UXFMCPTXMCCAOL-UHFFFAOYSA-N -1 1 356.794 4.281 20 0 FIADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1)C1CC1 ZINC000445452020 1108784605 /nfs/dbraw/zinc/78/46/05/1108784605.db2.gz NPLRFOCNVIEVAU-UHFFFAOYSA-N -1 1 355.781 4.111 20 0 FIADMM CCOc1cc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)ccc1OC ZINC000445453258 1108785758 /nfs/dbraw/zinc/78/57/58/1108785758.db2.gz BDXQOFYLDXRACY-UITAMQMPSA-N -1 1 356.353 4.159 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccccc3OC(F)F)n2)c(F)c1 ZINC000445458210 1108791909 /nfs/dbraw/zinc/79/19/09/1108791909.db2.gz WRMBRKGSWWQSRS-CHWSQXEVSA-N -1 1 362.307 4.454 20 0 FIADMM COc1ccc(-c2nc(-c3nc(-c4ccc([O-])c(F)c4)no3)cs2)cc1 ZINC000445481405 1108800958 /nfs/dbraw/zinc/80/09/58/1108800958.db2.gz OPXORKDLVFXDBW-UHFFFAOYSA-N -1 1 369.377 4.380 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4ccc(F)cc4)n3)n2)cc1F ZINC000445483419 1108803781 /nfs/dbraw/zinc/80/37/81/1108803781.db2.gz VTDDDOBWQXLDCA-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C(C)(C)c3ccccc3Cl)no2)c1 ZINC000445685641 1108946766 /nfs/dbraw/zinc/94/67/66/1108946766.db2.gz SQMKJNJAKURGSF-UHFFFAOYSA-N -1 1 371.824 4.380 20 0 FIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1F ZINC000524380580 1108987664 /nfs/dbraw/zinc/98/76/64/1108987664.db2.gz MODIKQGKWGQDHM-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000447267259 1109491293 /nfs/dbraw/zinc/49/12/93/1109491293.db2.gz MJVKUZJFHOGDCI-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447790706 1109645473 /nfs/dbraw/zinc/64/54/73/1109645473.db2.gz YPOKCJOQPLPXJD-UHFFFAOYSA-N -1 1 359.369 4.099 20 0 FIADMM COc1cc(C(=O)N2CCC(c3ccccc3F)CC2)cc(Cl)c1[O-] ZINC000527196206 1109717137 /nfs/dbraw/zinc/71/71/37/1109717137.db2.gz NRYIKPKYFWDWKT-UHFFFAOYSA-N -1 1 363.816 4.213 20 0 FIADMM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538831 1110284335 /nfs/dbraw/zinc/28/43/35/1110284335.db2.gz KZEYSVRCWOKCOI-GFCCVEGCSA-N -1 1 374.868 4.222 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000529539302 1110286898 /nfs/dbraw/zinc/28/68/98/1110286898.db2.gz QJRWLBJZJURXMG-SNVBAGLBSA-N -1 1 372.774 4.022 20 0 FIADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000461194526 1111110809 /nfs/dbraw/zinc/11/08/09/1111110809.db2.gz JWGGLNPFDSNUJN-UHFFFAOYSA-N -1 1 365.669 4.292 20 0 FIADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538477933 1111150961 /nfs/dbraw/zinc/15/09/61/1111150961.db2.gz AVOFYUMSVQXTCC-IAGOWNOFSA-N -1 1 364.367 4.214 20 0 FIADMM Cc1cc(-c2noc([C@H](C)Sc3nc(C)c(C)c(=O)[n-]3)n2)ccc1F ZINC000538515953 1111176715 /nfs/dbraw/zinc/17/67/15/1111176715.db2.gz YZFYCCXJNKAOMP-NSHDSACASA-N -1 1 360.414 4.150 20 0 FIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000539111698 1111436590 /nfs/dbraw/zinc/43/65/90/1111436590.db2.gz JLTWQRCIQKJFSI-UHFFFAOYSA-N -1 1 372.899 4.168 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1C ZINC000539192291 1111474012 /nfs/dbraw/zinc/47/40/12/1111474012.db2.gz BZVLSIMHDNPVNL-UHFFFAOYSA-N -1 1 363.504 4.356 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1csc(C2CC2)n1 ZINC000552197030 1111611042 /nfs/dbraw/zinc/61/10/42/1111611042.db2.gz KNYUMYCLHPNBRE-UHFFFAOYSA-N -1 1 373.659 4.394 20 0 FIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(-c3ccccc3)ns2)c1F ZINC000478076921 1111670976 /nfs/dbraw/zinc/67/09/76/1111670976.db2.gz KHWZAQNPZDVIRP-UHFFFAOYSA-N -1 1 374.368 4.127 20 0 FIADMM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000552488435 1111721031 /nfs/dbraw/zinc/72/10/31/1111721031.db2.gz BLYCNOYOBILZPC-UHFFFAOYSA-N -1 1 366.402 4.377 20 0 FIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000479135364 1111951824 /nfs/dbraw/zinc/95/18/24/1111951824.db2.gz PTXFNDMFLHKKNA-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc2ncsc2c1 ZINC000479501792 1112048171 /nfs/dbraw/zinc/04/81/71/1112048171.db2.gz KOFXKTHNEQBDBW-UHFFFAOYSA-N -1 1 372.393 4.202 20 0 FIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc2ncsc2c1 ZINC000479506285 1112050687 /nfs/dbraw/zinc/05/06/87/1112050687.db2.gz TUGKHEWPFZFPJJ-UHFFFAOYSA-N -1 1 372.393 4.202 20 0 FIADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000553688438 1112056893 /nfs/dbraw/zinc/05/68/93/1112056893.db2.gz HIMHDDGCQOEIGL-UHFFFAOYSA-N -1 1 359.788 4.444 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480190142 1112327289 /nfs/dbraw/zinc/32/72/89/1112327289.db2.gz DOJKNISFUMQSMA-UHFFFAOYSA-N -1 1 367.751 4.385 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000480491626 1112445453 /nfs/dbraw/zinc/44/54/53/1112445453.db2.gz DOMUEYJRFYKVBM-QWHCGFSZSA-N -1 1 355.287 4.172 20 0 FIADMM CCCO[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000554861127 1112526521 /nfs/dbraw/zinc/52/65/21/1112526521.db2.gz UDKHDVHMQPAYAJ-AWEZNQCLSA-N -1 1 362.857 4.015 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000554880347 1112551041 /nfs/dbraw/zinc/55/10/41/1112551041.db2.gz GLBLPLBCHBGYOK-NSHDSACASA-N -1 1 367.779 4.007 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000899020037 1112559798 /nfs/dbraw/zinc/55/97/98/1112559798.db2.gz BXIATIDWWQWFMM-HXUWFJFHSA-N -1 1 360.413 4.013 20 0 FIADMM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000600135367 1112904890 /nfs/dbraw/zinc/90/48/90/1112904890.db2.gz GOLSNLBIZMDTBK-UHFFFAOYSA-N -1 1 361.825 4.259 20 0 FIADMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000481343625 1112907286 /nfs/dbraw/zinc/90/72/86/1112907286.db2.gz RDMSHOJQFXDTOH-HTQZYQBOSA-N -1 1 360.353 4.007 20 0 FIADMM [O-]C(=Cc1c[nH]c2cccc(Cl)c12)Nc1nc(-c2ccsc2)ns1 ZINC000556008113 1113105412 /nfs/dbraw/zinc/10/54/12/1113105412.db2.gz FPLNBHURQDHXES-UHFFFAOYSA-N -1 1 374.878 4.004 20 0 FIADMM Cc1cc(F)ncc1CN[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000900033347 1113118286 /nfs/dbraw/zinc/11/82/86/1113118286.db2.gz XLHAQGBWBUGFSE-CQSZACIVSA-N -1 1 357.212 4.142 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(Cl)cc1Cl ZINC000481986514 1113145430 /nfs/dbraw/zinc/14/54/30/1113145430.db2.gz UDBWTIFPOHXETO-UHFFFAOYSA-N -1 1 369.632 4.290 20 0 FIADMM CCOc1cc(C(=O)N[C@H](c2ccccc2)C(F)F)cc(Cl)c1[O-] ZINC000482055076 1113159225 /nfs/dbraw/zinc/15/92/25/1113159225.db2.gz XILMNOPVRXSJOC-CQSZACIVSA-N -1 1 355.768 4.181 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Oc2cccc(F)c2)c1 ZINC000482547549 1113294389 /nfs/dbraw/zinc/29/43/89/1113294389.db2.gz DMIGUACPWAHQKF-JTQLQIEISA-N -1 1 368.202 4.008 20 0 FIADMM CC[C@H](OC1CCCC1)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482561651 1113296002 /nfs/dbraw/zinc/29/60/02/1113296002.db2.gz WPSPVGLEFFAXGC-AWEZNQCLSA-N -1 1 356.260 4.139 20 0 FIADMM CCOCCC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCCC1 ZINC000482632913 1113315459 /nfs/dbraw/zinc/31/54/59/1113315459.db2.gz MXRIMMNXSDHTMO-UHFFFAOYSA-N -1 1 370.287 4.389 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000482719351 1113342447 /nfs/dbraw/zinc/34/24/47/1113342447.db2.gz CMHOZUWKSWFRHS-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM CC[C@@H](C)Oc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1 ZINC000486191752 1113521314 /nfs/dbraw/zinc/52/13/14/1113521314.db2.gz DVTQXEUJRAVCPU-CQSZACIVSA-N -1 1 363.417 4.070 20 0 FIADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000486268647 1113537440 /nfs/dbraw/zinc/53/74/40/1113537440.db2.gz GRMAOFFKRAVURM-AWEZNQCLSA-N -1 1 360.251 4.093 20 0 FIADMM C[C@@]1(CC(=O)Nc2cccc([O-])c2Br)CC1(Cl)Cl ZINC000908707892 1113686826 /nfs/dbraw/zinc/68/68/26/1113686826.db2.gz OCTOISLESWCFTD-LLVKDONJSA-N -1 1 353.043 4.067 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000908708550 1113687357 /nfs/dbraw/zinc/68/73/57/1113687357.db2.gz YDYSBIHREQIQGH-SFYZADRCSA-N -1 1 352.150 4.072 20 0 FIADMM CC(C)(C)c1cnc(CCC(=O)Nc2cccc([O-])c2Br)o1 ZINC000908710852 1113687622 /nfs/dbraw/zinc/68/76/22/1113687622.db2.gz UUAMICHZCGBGDU-UHFFFAOYSA-N -1 1 367.243 4.012 20 0 FIADMM CCOC(=O)c1sc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000486961563 1113688295 /nfs/dbraw/zinc/68/82/95/1113688295.db2.gz CQHHUDWPZQIMPQ-UHFFFAOYSA-N -1 1 354.815 4.236 20 0 FIADMM Cc1nc(C(C)C)sc1C(=O)Nc1cccc([O-])c1Br ZINC000908713844 1113688410 /nfs/dbraw/zinc/68/84/10/1113688410.db2.gz DJBKTBNUBHHHHN-UHFFFAOYSA-N -1 1 355.257 4.295 20 0 FIADMM CC1(c2nnc(-c3cccc(F)c3)o2)CN(Cc2cccc([O-])c2Cl)C1 ZINC000668858684 1113935034 /nfs/dbraw/zinc/93/50/34/1113935034.db2.gz MCCIKOBWPHSXIR-UHFFFAOYSA-N -1 1 373.815 4.008 20 0 FIADMM CCOc1cc(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)cc(Cl)c1[O-] ZINC000912042180 1114056694 /nfs/dbraw/zinc/05/66/94/1114056694.db2.gz PSBPDAYTBMRNAS-SFHVURJKSA-N -1 1 372.852 4.207 20 0 FIADMM O=C(C[C@H]1C=CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000489393874 1114100675 /nfs/dbraw/zinc/10/06/75/1114100675.db2.gz CTJNDSIAVHMTMD-INIZCTEOSA-N -1 1 370.474 4.172 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)ccc2[nH]1 ZINC000489729132 1114164100 /nfs/dbraw/zinc/16/41/00/1114164100.db2.gz NRAQVZVMMDDRTO-UHFFFAOYSA-N -1 1 368.462 4.208 20 0 FIADMM Cn1ccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1C1CCC1 ZINC000490549062 1114299321 /nfs/dbraw/zinc/29/93/21/1114299321.db2.gz XJTOBIICFWTOTA-UHFFFAOYSA-N -1 1 360.870 4.072 20 0 FIADMM CCCOC1(CNC(=O)c2ccc(Br)c([O-])c2)CCCCC1 ZINC000490822425 1114335571 /nfs/dbraw/zinc/33/55/71/1114335571.db2.gz QQHPHTVJTIVEFO-UHFFFAOYSA-N -1 1 370.287 4.014 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(C3CCCCC3)s2)[n-]c1=O ZINC000571501595 1114470234 /nfs/dbraw/zinc/47/02/34/1114470234.db2.gz YGEMNINCYIILPN-XFXZXTDPSA-N -1 1 373.478 4.424 20 0 FIADMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000055620933 1114503956 /nfs/dbraw/zinc/50/39/56/1114503956.db2.gz GKRHFECHCWMLLS-UHFFFAOYSA-N -1 1 364.426 4.057 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OCC(F)F ZINC000588634313 1114589530 /nfs/dbraw/zinc/58/95/30/1114589530.db2.gz USPOVLSXDVFDPS-UHFFFAOYSA-N -1 1 361.797 4.093 20 0 FIADMM CCCCN(C(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1)C1CC1 ZINC000045369103 1114651301 /nfs/dbraw/zinc/65/13/01/1114651301.db2.gz IFRBZYPLJIQNJC-UHFFFAOYSA-N -1 1 358.511 4.097 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(Cl)cc2cccnc21 ZINC000589689581 1114828259 /nfs/dbraw/zinc/82/82/59/1114828259.db2.gz LPJDUSCSPZVCMN-UHFFFAOYSA-N -1 1 354.822 4.014 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@H]2COc3ccc(Cl)cc32)cnc1Cl ZINC001127128178 1114883944 /nfs/dbraw/zinc/88/39/44/1114883944.db2.gz ZMEYZBSGFDDLPY-LBPRGKRZSA-N -1 1 373.186 4.039 20 0 FIADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NCc1cccc([O-])c1Cl ZINC000590186741 1114905576 /nfs/dbraw/zinc/90/55/76/1114905576.db2.gz VOHUMDAPIGXZTF-MRXNPFEDSA-N -1 1 361.869 4.088 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)Cc3ccccc3C(F)(F)F)[nH][n-]2)s1 ZINC000591451254 1115081680 /nfs/dbraw/zinc/08/16/80/1115081680.db2.gz JUZAPBJVQOTBQF-UHFFFAOYSA-N -1 1 365.380 4.069 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)cc(Cl)c1[O-] ZINC000573496488 1115132106 /nfs/dbraw/zinc/13/21/06/1115132106.db2.gz NUPXIBSSOPGEHX-OAHLLOKOSA-N -1 1 359.853 4.382 20 0 FIADMM COc1cccc(CN(C)Cn2c(CCC3CCCC3)n[n-]c2=S)c1 ZINC000058204902 1115138823 /nfs/dbraw/zinc/13/88/23/1115138823.db2.gz PGAPERLSVPBSSM-UHFFFAOYSA-N -1 1 360.527 4.162 20 0 FIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2)n1 ZINC000591797217 1115139850 /nfs/dbraw/zinc/13/98/50/1115139850.db2.gz SHXFCIRDYFXQPY-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2nc3c(s2)CCCC3)cc1 ZINC000669471824 1115286451 /nfs/dbraw/zinc/28/64/51/1115286451.db2.gz KZJHXZXVAWCXCD-KRWDZBQOSA-N -1 1 358.507 4.451 20 0 FIADMM CCc1nc(SCc2cn3cc(Cl)cc(Cl)c3n2)[n-]c(=O)c1C ZINC000574652756 1115427225 /nfs/dbraw/zinc/42/72/25/1115427225.db2.gz XHAHDSOWPMGIDM-UHFFFAOYSA-N -1 1 369.277 4.300 20 0 FIADMM CC(C)Oc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000032286839 1115690162 /nfs/dbraw/zinc/69/01/62/1115690162.db2.gz XUQBGACTJXHBLQ-UHFFFAOYSA-N -1 1 374.491 4.095 20 0 FIADMM CCOc1ccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2)cc1 ZINC000599297519 1115806560 /nfs/dbraw/zinc/80/65/60/1115806560.db2.gz URKOJMNBVZDWHL-UHFFFAOYSA-N -1 1 350.374 4.231 20 0 FIADMM [O-]C(Nc1nc(-c2ccccc2Cl)ns1)=C1CCCc2ccccc21 ZINC000599727133 1115839994 /nfs/dbraw/zinc/83/99/94/1115839994.db2.gz PWWPGBGWXRCBRL-AWEZNQCLSA-N -1 1 369.877 4.339 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000062139697 1115893365 /nfs/dbraw/zinc/89/33/65/1115893365.db2.gz AJVXZNUWINFKRI-UHFFFAOYSA-N -1 1 359.447 4.011 20 0 FIADMM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1c([O-])cccc1F ZINC000605437650 1115895212 /nfs/dbraw/zinc/89/52/12/1115895212.db2.gz PQTJOKOOJHQKEG-UHFFFAOYSA-N -1 1 362.813 4.489 20 0 FIADMM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440411 1115895759 /nfs/dbraw/zinc/89/57/59/1115895759.db2.gz RELJACHFVZOXJP-UHFFFAOYSA-N -1 1 365.364 4.428 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000172596422 1115963651 /nfs/dbraw/zinc/96/36/51/1115963651.db2.gz POWZAWWZADFCSU-HUUCEWRRSA-N -1 1 372.538 4.247 20 0 FIADMM CC(C)(C)CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000606876069 1115979975 /nfs/dbraw/zinc/97/99/75/1115979975.db2.gz UFOPFRGGMQUAHL-UHFFFAOYSA-N -1 1 374.506 4.044 20 0 FIADMM O=S(=O)([N-]Cc1ccc(Cl)o1)c1c(Cl)cccc1C(F)(F)F ZINC000606903888 1115981511 /nfs/dbraw/zinc/98/15/11/1115981511.db2.gz LTKNYSAUMQNKJW-UHFFFAOYSA-N -1 1 374.167 4.084 20 0 FIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1C ZINC000607881022 1116073043 /nfs/dbraw/zinc/07/30/43/1116073043.db2.gz HCOZDIWPGJCMPF-UHFFFAOYSA-N -1 1 360.479 4.186 20 0 FIADMM CCC(=O)c1ccc(OCCCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608366637 1116102691 /nfs/dbraw/zinc/10/26/91/1116102691.db2.gz VKDAZMFKZQHZCP-UHFFFAOYSA-N -1 1 359.397 4.312 20 0 FIADMM CC[C@H](C)C[C@@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000174116427 1116114541 /nfs/dbraw/zinc/11/45/41/1116114541.db2.gz MLSIOKBZRNZSTE-DZGCQCFKSA-N -1 1 360.527 4.247 20 0 FIADMM COc1ccc(N(CC2CC2)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000456172738 1116162266 /nfs/dbraw/zinc/16/22/66/1116162266.db2.gz GHPAJRVLZPCIFH-UHFFFAOYSA-N -1 1 361.825 4.120 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)cc2[nH]1 ZINC000535394689 1116302290 /nfs/dbraw/zinc/30/22/90/1116302290.db2.gz NGZKMMRACQGWEJ-UHFFFAOYSA-N -1 1 370.261 4.287 20 0 FIADMM CC[C@H](CC(F)F)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000457748650 1116305186 /nfs/dbraw/zinc/30/51/86/1116305186.db2.gz ZJGRXTFIIWQUCW-GFCCVEGCSA-N -1 1 368.424 4.075 20 0 FIADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000462486825 1116359584 /nfs/dbraw/zinc/35/95/84/1116359584.db2.gz SJAKUMHILKKZRQ-MEBBXXQBSA-N -1 1 356.875 4.011 20 0 FIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)ccc2o1 ZINC000540039644 1117835834 /nfs/dbraw/zinc/83/58/34/1117835834.db2.gz YJZVILNGTCEUFL-UHFFFAOYSA-N -1 1 372.446 4.077 20 0 FIADMM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000464215181 1118484134 /nfs/dbraw/zinc/48/41/34/1118484134.db2.gz AFDNTQUGWGMPNA-UWVGGRQHSA-N -1 1 373.799 4.126 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2sc(-c3ccccc3)nc2C)c1 ZINC000541473775 1118531170 /nfs/dbraw/zinc/53/11/70/1118531170.db2.gz QJYYHLMHXGLLJH-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000542054545 1118774804 /nfs/dbraw/zinc/77/48/04/1118774804.db2.gz LVDCSSBTCPKTNQ-UHFFFAOYSA-N -1 1 359.369 4.082 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1cccc(Cl)c1 ZINC000303450557 1118942369 /nfs/dbraw/zinc/94/23/69/1118942369.db2.gz KINHIECYYAPMTD-UHFFFAOYSA-N -1 1 360.822 4.328 20 0 FIADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc(C2CC2)on1 ZINC000491481616 1118956574 /nfs/dbraw/zinc/95/65/74/1118956574.db2.gz YZEMPTLMDLOTNI-UHFFFAOYSA-N -1 1 370.478 4.124 20 0 FIADMM Cc1cccc([C@H]2CCCCN2Cc2nc(=O)c3sccc3[n-]2)c1C ZINC000173779849 1119070077 /nfs/dbraw/zinc/07/00/77/1119070077.db2.gz OHAOKAQXKRMYKA-QGZVFWFLSA-N -1 1 353.491 4.329 20 0 FIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(Oc2ccccc2)o1 ZINC000176151159 1119260176 /nfs/dbraw/zinc/26/01/76/1119260176.db2.gz OXVCUCOPDNRHLS-UHFFFAOYSA-N -1 1 364.386 4.238 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000176531084 1119280741 /nfs/dbraw/zinc/28/07/41/1119280741.db2.gz PDYFWPHNRJGROX-UHFFFAOYSA-N -1 1 371.481 4.053 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(F)c(F)c2F)c1 ZINC000182904941 1119562464 /nfs/dbraw/zinc/56/24/64/1119562464.db2.gz LASDSUYGQQVYRJ-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM Cc1c(=O)[n-]c(SCCOc2ccccc2F)nc1-c1ccccc1 ZINC000185054273 1119638101 /nfs/dbraw/zinc/63/81/01/1119638101.db2.gz GOECUSLYJVEXIJ-UHFFFAOYSA-N -1 1 356.422 4.056 20 0 FIADMM CCOc1cc(C(=O)NCC2(CCOC)CCCCC2)cc(Cl)c1[O-] ZINC000187471772 1119785210 /nfs/dbraw/zinc/78/52/10/1119785210.db2.gz VLTPLZVCABKTOO-UHFFFAOYSA-N -1 1 369.889 4.161 20 0 FIADMM O=C(Nc1ccc(OCC(F)(F)F)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000190938577 1119954818 /nfs/dbraw/zinc/95/48/18/1119954818.db2.gz AREJAMZXCHOBDX-UHFFFAOYSA-N -1 1 361.707 4.026 20 0 FIADMM CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000192174063 1120036362 /nfs/dbraw/zinc/03/63/62/1120036362.db2.gz IOVSUBCWSNGKQY-UHFFFAOYSA-N -1 1 361.829 4.172 20 0 FIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192206178 1120041006 /nfs/dbraw/zinc/04/10/06/1120041006.db2.gz GTRWGLXTABMQOZ-UHFFFAOYSA-N -1 1 354.193 4.301 20 0 FIADMM Cc1cnc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c([O-])c1 ZINC000494916906 1120369247 /nfs/dbraw/zinc/36/92/47/1120369247.db2.gz KMFCPFJSUPLBGM-KRWDZBQOSA-N -1 1 356.472 4.007 20 0 FIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000227870446 1120407014 /nfs/dbraw/zinc/40/70/14/1120407014.db2.gz PDDJFQVYNQXGEJ-UHFFFAOYSA-N -1 1 360.660 4.212 20 0 FIADMM CCC(CC)c1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000762036743 1120662891 /nfs/dbraw/zinc/66/28/91/1120662891.db2.gz PJCGDUCIRXKQET-UHFFFAOYSA-N -1 1 373.331 4.457 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)Cc2ccccc2Cl)cc(Cl)c1[O-] ZINC000762576535 1120933854 /nfs/dbraw/zinc/93/38/54/1120933854.db2.gz NQBQCJYKHLRBGJ-NSHDSACASA-N -1 1 368.260 4.459 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(F)=C1CCCC1 ZINC000762596881 1120936835 /nfs/dbraw/zinc/93/68/35/1120936835.db2.gz JRWUFWWWVOZUSR-UHFFFAOYSA-N -1 1 374.437 4.224 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)cc(Cl)c1[O-] ZINC000762606461 1120938550 /nfs/dbraw/zinc/93/85/50/1120938550.db2.gz WNTJLSOVUAXDRQ-UHFFFAOYSA-N -1 1 373.796 4.055 20 0 FIADMM Cc1cc(C)c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cc1O ZINC000762690755 1120951902 /nfs/dbraw/zinc/95/19/02/1120951902.db2.gz AMMYEFSJUCJHGQ-UHFFFAOYSA-N -1 1 372.421 4.314 20 0 FIADMM CCCCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000915647059 1121013398 /nfs/dbraw/zinc/01/33/98/1121013398.db2.gz WQECQFOMLLFQMZ-UHFFFAOYSA-N -1 1 360.479 4.396 20 0 FIADMM COc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c([O-])c1 ZINC000029353382 1121037503 /nfs/dbraw/zinc/03/75/03/1121037503.db2.gz UIDMAFAACHMLJF-UHFFFAOYSA-N -1 1 370.430 4.094 20 0 FIADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000031329958 1121081266 /nfs/dbraw/zinc/08/12/66/1121081266.db2.gz UYCJTBXLSQIYTO-UHFFFAOYSA-N -1 1 359.731 4.216 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1cc(Cl)cc(Cl)c1 ZINC000031534769 1121085120 /nfs/dbraw/zinc/08/51/20/1121085120.db2.gz PATIBJSYIUWADP-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000032098346 1121099814 /nfs/dbraw/zinc/09/98/14/1121099814.db2.gz MUKAXWIDZITTDH-UHFFFAOYSA-N -1 1 359.369 4.339 20 0 FIADMM O=S(=O)([N-]Cc1ccccc1Cl)c1cc(Cl)sc1Cl ZINC000032548764 1121111409 /nfs/dbraw/zinc/11/14/09/1121111409.db2.gz LAHZWCYVUDRUKZ-UHFFFAOYSA-N -1 1 356.683 4.187 20 0 FIADMM O=S(=O)([N-]CCc1cccc(Cl)c1)c1cc(Cl)sc1Cl ZINC000032551104 1121111614 /nfs/dbraw/zinc/11/16/14/1121111614.db2.gz HBEGYCANTFEGEU-UHFFFAOYSA-N -1 1 370.710 4.229 20 0 FIADMM O=S(=O)([N-]c1ccccc1COc1ccccc1)c1ccc(F)cc1 ZINC000055688128 1121265273 /nfs/dbraw/zinc/26/52/73/1121265273.db2.gz WCHHSHUAEJAVHD-UHFFFAOYSA-N -1 1 357.406 4.206 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000060624468 1121489283 /nfs/dbraw/zinc/48/92/83/1121489283.db2.gz IKWLFWAAPHRRQT-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000063149015 1121552330 /nfs/dbraw/zinc/55/23/30/1121552330.db2.gz FPUWVJTUUICQKN-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)cc1 ZINC000065080328 1121654380 /nfs/dbraw/zinc/65/43/80/1121654380.db2.gz FYJQKKIHBPFKJC-ZDUSSCGKSA-N -1 1 370.478 4.094 20 0 FIADMM Cc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c(C)c1 ZINC000068435352 1121827953 /nfs/dbraw/zinc/82/79/53/1121827953.db2.gz GLRUDZQMKVUOJZ-UHFFFAOYSA-N -1 1 358.511 4.158 20 0 FIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1F ZINC000126448450 1121955526 /nfs/dbraw/zinc/95/55/26/1121955526.db2.gz PKBGRJBIYHHATB-UHFFFAOYSA-N -1 1 374.217 4.143 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000671773884 1121959953 /nfs/dbraw/zinc/95/99/53/1121959953.db2.gz UGCQNLRMKURCKY-ZLGUVYLKSA-N -1 1 369.505 4.420 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000111667374 1121961553 /nfs/dbraw/zinc/96/15/53/1121961553.db2.gz LAEUFFKICYKWNU-UHFFFAOYSA-N -1 1 352.724 4.381 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)oc1C ZINC000060554367 1121963238 /nfs/dbraw/zinc/96/32/38/1121963238.db2.gz DIBRBXXZDJLUOF-UHFFFAOYSA-N -1 1 364.373 4.037 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)nc2ccccc21 ZINC000917113974 1122162515 /nfs/dbraw/zinc/16/25/15/1122162515.db2.gz QOLLAJFLVGWLGD-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C(C)(C)CC(F)(F)F ZINC001128046018 1122195916 /nfs/dbraw/zinc/19/59/16/1122195916.db2.gz TXLMYXGHTGJTNS-UHFFFAOYSA-N -1 1 359.722 4.288 20 0 FIADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000917734482 1122421460 /nfs/dbraw/zinc/42/14/60/1122421460.db2.gz UAKOFTJYFFIHOI-KHPPLWFESA-N -1 1 357.353 4.306 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(F)cc1Cl ZINC000497959065 1122491205 /nfs/dbraw/zinc/49/12/05/1122491205.db2.gz JTTWUJMVWCDJAP-UHFFFAOYSA-N -1 1 355.818 4.069 20 0 FIADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000497982542 1122501631 /nfs/dbraw/zinc/50/16/31/1122501631.db2.gz SDXHCQHWHKHRSI-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N(C)CCC(=O)[O-] ZINC000262691468 1122508434 /nfs/dbraw/zinc/50/84/34/1122508434.db2.gz ZLCFLRASSPGVSV-CQSZACIVSA-N -1 1 371.868 4.206 20 0 FIADMM O=C(C=C1CCCC1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000918091858 1122546675 /nfs/dbraw/zinc/54/66/75/1122546675.db2.gz SFCIDEPFXPZLKE-UHFFFAOYSA-N -1 1 374.437 4.065 20 0 FIADMM CCC/C=C\C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000918202574 1122589805 /nfs/dbraw/zinc/58/98/05/1122589805.db2.gz MMGQGFLJQIPQIA-POHAHGRESA-N -1 1 372.490 4.399 20 0 FIADMM Cc1ccc(NC(=O)[C@@H](C)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000498200899 1122623485 /nfs/dbraw/zinc/62/34/85/1122623485.db2.gz JHBRVPIRJHWVDD-HNNXBMFYSA-N -1 1 360.479 4.026 20 0 FIADMM CCC[C@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498204544 1122625474 /nfs/dbraw/zinc/62/54/74/1122625474.db2.gz ZMYHSCGCZGUSMW-HNNXBMFYSA-N -1 1 360.479 4.171 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1Br ZINC000070141527 1122711045 /nfs/dbraw/zinc/71/10/45/1122711045.db2.gz ZVDUJVBCVAJDJS-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1ccc(-c2cc(C(=O)[N-]c3csc(-c4ccccn4)n3)on2)cc1 ZINC000498604380 1122902116 /nfs/dbraw/zinc/90/21/16/1122902116.db2.gz QHPCMIFOPGRYRV-UHFFFAOYSA-N -1 1 362.414 4.421 20 0 FIADMM CC[C@@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000154952943 1122962554 /nfs/dbraw/zinc/96/25/54/1122962554.db2.gz DKATVOPTUYFQCS-GDBMZVCRSA-N -1 1 358.511 4.001 20 0 FIADMM CC[C@@H]1CCC[C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000154952732 1122962638 /nfs/dbraw/zinc/96/26/38/1122962638.db2.gz DKATVOPTUYFQCS-ZBFHGGJFSA-N -1 1 358.511 4.001 20 0 FIADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000072034524 1122969915 /nfs/dbraw/zinc/96/99/15/1122969915.db2.gz AWWFVLIAERHDSI-UHFFFAOYSA-N -1 1 363.439 4.135 20 0 FIADMM COC(=O)c1ccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)cc1 ZINC000498760186 1122998138 /nfs/dbraw/zinc/99/81/38/1122998138.db2.gz ATHQPVUUOJYDJF-UHFFFAOYSA-N -1 1 356.381 4.044 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1C ZINC000919959498 1123285957 /nfs/dbraw/zinc/28/59/57/1123285957.db2.gz VTEUYIKSUHQBJX-UHFFFAOYSA-N -1 1 372.446 4.076 20 0 FIADMM Cc1oc(C2CC2)nc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000499173311 1123307012 /nfs/dbraw/zinc/30/70/12/1123307012.db2.gz WBZQFNUJTCYMLF-UHFFFAOYSA-N -1 1 372.475 4.424 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000132768632 1123357480 /nfs/dbraw/zinc/35/74/80/1123357480.db2.gz BWNYIQBREMEHCT-UHFFFAOYSA-N -1 1 371.380 4.185 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(C(F)(F)F)cc1 ZINC000132773060 1123358620 /nfs/dbraw/zinc/35/86/20/1123358620.db2.gz RXMYJVLKMQJFCA-UHFFFAOYSA-N -1 1 368.336 4.161 20 0 FIADMM CCOc1cc(-c2noc(COC3CCCCC3)n2)cc(Cl)c1[O-] ZINC000445421697 1123445090 /nfs/dbraw/zinc/44/50/90/1123445090.db2.gz ZLHNQAKCZFNJMK-UHFFFAOYSA-N -1 1 352.818 4.344 20 0 FIADMM O=C(N[C@H]1CCc2cc(Br)ccc21)c1c([O-])cccc1Cl ZINC000920462728 1123459811 /nfs/dbraw/zinc/45/98/11/1123459811.db2.gz IVUQXYAIQTXFAF-ZDUSSCGKSA-N -1 1 366.642 4.225 20 0 FIADMM Cc1cnc(-c2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)nc1 ZINC000133639004 1123507448 /nfs/dbraw/zinc/50/74/48/1123507448.db2.gz DOCLNTZFESVUPK-UHFFFAOYSA-N -1 1 354.822 4.070 20 0 FIADMM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1cc2ccccc2o1 ZINC000133973485 1123578934 /nfs/dbraw/zinc/57/89/34/1123578934.db2.gz BFHDUODPXRMFKK-AWEZNQCLSA-N -1 1 363.435 4.087 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135513629 1123769092 /nfs/dbraw/zinc/76/90/92/1123769092.db2.gz SWGNOQITQPJMJV-UHFFFAOYSA-N -1 1 371.796 4.263 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000615952756 1124184520 /nfs/dbraw/zinc/18/45/20/1124184520.db2.gz BQZSJVSFTDPHGP-UHFFFAOYSA-N -1 1 356.447 4.341 20 0 FIADMM CCCCCC[C@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068429261 1124232652 /nfs/dbraw/zinc/23/26/52/1124232652.db2.gz SCVMMNDALXTSPS-AWEZNQCLSA-N -1 1 352.548 4.180 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000068435363 1124233754 /nfs/dbraw/zinc/23/37/54/1124233754.db2.gz GWUDXMBIMVXLDV-SJORKVTESA-N -1 1 370.522 4.031 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc(Cl)ccc1Cl ZINC000180271548 1124276821 /nfs/dbraw/zinc/27/68/21/1124276821.db2.gz UIOWEBIDOIDNLD-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1Cl ZINC000180275386 1124279188 /nfs/dbraw/zinc/27/91/88/1124279188.db2.gz IVLWJLXZLFBRLQ-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1csc(-c2ccccn2)n1 ZINC000180344684 1124297420 /nfs/dbraw/zinc/29/74/20/1124297420.db2.gz RDYVDNJTBRCRMO-UHFFFAOYSA-N -1 1 351.765 4.389 20 0 FIADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@@H]2CCNc3ccccc32)cc1 ZINC001168650276 1124364734 /nfs/dbraw/zinc/36/47/34/1124364734.db2.gz RNNQNCLPNQQABJ-YVEFUNNKSA-N -1 1 363.383 4.395 20 0 FIADMM CCCOc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000542818232 1124389337 /nfs/dbraw/zinc/38/93/37/1124389337.db2.gz QGMYKNSPQRNOEN-UHFFFAOYSA-N -1 1 361.825 4.436 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1C(=O)NC(C)C ZINC000108762200 1124391081 /nfs/dbraw/zinc/39/10/81/1124391081.db2.gz DYNLNRRLNSNPKE-UHFFFAOYSA-N -1 1 374.506 4.057 20 0 FIADMM O=C([N-]CCCSCc1csc(-c2cccs2)n1)C(F)(F)F ZINC000180777615 1124418620 /nfs/dbraw/zinc/41/86/20/1124418620.db2.gz QBVASDILBLCCFY-UHFFFAOYSA-N -1 1 366.455 4.173 20 0 FIADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc3ccccc3cc1[O-])CCC2 ZINC000110531144 1124754930 /nfs/dbraw/zinc/75/49/30/1124754930.db2.gz RDJMIVZUVYNIMD-KRWDZBQOSA-N -1 1 352.459 4.460 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H](C)C3CCC(F)(F)CC3)nc2)[n-]c(=O)c1C ZINC000656228489 1124818295 /nfs/dbraw/zinc/81/82/95/1124818295.db2.gz QVIQDPFPKCCZSD-ZDUSSCGKSA-N -1 1 362.424 4.487 20 0 FIADMM COc1ccc(Cl)c(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000649449911 1124897909 /nfs/dbraw/zinc/89/79/09/1124897909.db2.gz KDRQMEAKJMVVPG-UHFFFAOYSA-N -1 1 359.853 4.426 20 0 FIADMM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1[O-] ZINC000617954785 1124958339 /nfs/dbraw/zinc/95/83/39/1124958339.db2.gz FXKJVKSPEUHPPF-UHFFFAOYSA-N -1 1 350.340 4.264 20 0 FIADMM CCN(CC)C(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)c(OC)c1 ZINC001212468452 1125205692 /nfs/dbraw/zinc/20/56/92/1125205692.db2.gz FGFCAMCPMFMYRQ-UHFFFAOYSA-N -1 1 366.820 4.419 20 0 FIADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000106184596 209272052 /nfs/dbraw/zinc/27/20/52/209272052.db2.gz SUTXXXABKTZTEC-UHFFFAOYSA-N -1 1 366.442 4.330 20 0 FIADMM CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000035871077 208138050 /nfs/dbraw/zinc/13/80/50/208138050.db2.gz SOROBFLTIOLLHB-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186316469 567905125 /nfs/dbraw/zinc/90/51/25/567905125.db2.gz JRJCXYUBGSHJBJ-INIZCTEOSA-N -1 1 370.207 4.052 20 0 FIADMM CC[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000602321305 567967205 /nfs/dbraw/zinc/96/72/05/567967205.db2.gz CUZJCNASWJXZGK-SFHVURJKSA-N -1 1 365.473 4.082 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c(C)s1 ZINC000303208110 568257575 /nfs/dbraw/zinc/25/75/75/568257575.db2.gz ZLWDGWGAYXLELP-UHFFFAOYSA-N -1 1 361.435 4.118 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(Br)c1 ZINC000028197924 568555310 /nfs/dbraw/zinc/55/53/10/568555310.db2.gz BFGWUJOJTRAJEL-UHFFFAOYSA-N -1 1 366.280 4.047 20 0 FIADMM CCCCS[C@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068446683 568566713 /nfs/dbraw/zinc/56/67/13/568566713.db2.gz WSMBVBUTUWTUKR-CYBMUJFWSA-N -1 1 370.588 4.149 20 0 FIADMM CCOc1cc(C(=O)NC2CCC3(CC3(F)F)CC2)cc(Cl)c1[O-] ZINC000619233746 1125538876 /nfs/dbraw/zinc/53/88/76/1125538876.db2.gz IJGWZEMDAAMMDA-UHFFFAOYSA-N -1 1 359.800 4.142 20 0 FIADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000683077820 1079540129 /nfs/dbraw/zinc/54/01/29/1079540129.db2.gz JUSLNAIJBLZXIO-UHFFFAOYSA-N -1 1 352.728 4.434 20 0 FIADMM C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000683078086 1079541002 /nfs/dbraw/zinc/54/10/02/1079541002.db2.gz VIHAXEKCLMXFFM-GFCCVEGCSA-N -1 1 356.813 4.495 20 0 FIADMM CCOc1cc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cc(Cl)c1[O-] ZINC000186818524 1079675526 /nfs/dbraw/zinc/67/55/26/1079675526.db2.gz VXIHBAFXGHFNHD-SJKOYZFVSA-N -1 1 369.889 4.015 20 0 FIADMM Cc1ccc(C(C)(C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000136953271 1079748624 /nfs/dbraw/zinc/74/86/24/1079748624.db2.gz GJZPGEBPZNAFLP-UHFFFAOYSA-N -1 1 365.473 4.100 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Oc3ccccc3)o2)cc1 ZINC000683171827 1079800060 /nfs/dbraw/zinc/80/00/60/1079800060.db2.gz QGTBPBGXILXTKH-IBGZPJMESA-N -1 1 367.401 4.386 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2Cl)cc1 ZINC000683172076 1079802337 /nfs/dbraw/zinc/80/23/37/1079802337.db2.gz VNFWUQMECIGOKC-HNNXBMFYSA-N -1 1 354.233 4.308 20 0 FIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000610194114 1079898358 /nfs/dbraw/zinc/89/83/58/1079898358.db2.gz NYFHNJZWZLZMTH-UHFFFAOYSA-N -1 1 371.911 4.403 20 0 FIADMM CC(C)CCOc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000655341001 1080169844 /nfs/dbraw/zinc/16/98/44/1080169844.db2.gz MLOVYOOJVHNEHT-UHFFFAOYSA-N -1 1 353.340 4.487 20 0 FIADMM CCOc1cc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc(Cl)c1[O-] ZINC000655384487 1080215407 /nfs/dbraw/zinc/21/54/07/1080215407.db2.gz WQTHKPWLNULIOC-CYBMUJFWSA-N -1 1 367.873 4.008 20 0 FIADMM Cc1cc(C=O)c([O-])c(C(=O)NCC(C)(C)c2cccc(Cl)c2F)c1 ZINC001625816869 1080284516 /nfs/dbraw/zinc/28/45/16/1080284516.db2.gz CBOWADWZBKTEPZ-UHFFFAOYSA-N -1 1 363.816 4.013 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)c1 ZINC000610237817 1080287979 /nfs/dbraw/zinc/28/79/79/1080287979.db2.gz CPPTYCZGDIBFDB-UHFFFAOYSA-N -1 1 365.520 4.446 20 0 FIADMM N#Cc1ccc2c(c1)CC/C(=C\c1ccc([O-])c(Br)c1)C2=O ZINC000078696647 1080492467 /nfs/dbraw/zinc/49/24/67/1080492467.db2.gz ACACSHWVFHROOH-VGOFMYFVSA-N -1 1 354.203 4.239 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000080716196 1080535863 /nfs/dbraw/zinc/53/58/63/1080535863.db2.gz LWIFRBNIDVWJGY-UHFFFAOYSA-N -1 1 358.463 4.077 20 0 FIADMM CCOc1cc(-c2noc(-c3ccsc3)n2)cc(Br)c1[O-] ZINC000109507768 1080589748 /nfs/dbraw/zinc/58/97/48/1080589748.db2.gz WOYIINZFKDPBMJ-UHFFFAOYSA-N -1 1 367.224 4.332 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2ncc(-c3ccccc3)o2)[n-]1 ZINC000109713934 1080657067 /nfs/dbraw/zinc/65/70/67/1080657067.db2.gz BPBOLFAZMHTKHE-UHFFFAOYSA-N -1 1 353.325 4.148 20 0 FIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000049659692 1080909846 /nfs/dbraw/zinc/90/98/46/1080909846.db2.gz MNMMFWROWWBSPV-UHFFFAOYSA-N -1 1 372.490 4.149 20 0 FIADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(F)F ZINC000655586443 1080948315 /nfs/dbraw/zinc/94/83/15/1080948315.db2.gz ULULWICMFJCDOP-ZDUSSCGKSA-N -1 1 357.426 4.130 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](C2CCCC2)C1 ZINC001648807333 1081091719 /nfs/dbraw/zinc/09/17/19/1081091719.db2.gz XNZMEAUUDFKSLL-ZDUSSCGKSA-N -1 1 352.272 4.197 20 0 FIADMM CCOc1cc(-c2noc(CCc3ccccc3F)n2)cc(Cl)c1[O-] ZINC000683589354 1081177804 /nfs/dbraw/zinc/17/78/04/1081177804.db2.gz NIJQRFOETUKPSW-UHFFFAOYSA-N -1 1 362.788 4.419 20 0 FIADMM O=C(N[C@@H](CCc1ccccc1)c1ccccn1)c1cccc([O-])c1F ZINC001648860814 1081322886 /nfs/dbraw/zinc/32/28/86/1081322886.db2.gz KQTIBOHQTZEQNT-SFHVURJKSA-N -1 1 350.393 4.030 20 0 FIADMM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035014 1081503907 /nfs/dbraw/zinc/50/39/07/1081503907.db2.gz DTXWWBQSVABKRS-WCQYABFASA-N -1 1 368.264 4.012 20 0 FIADMM CC(C)c1ccc(CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C2CC2)cc1 ZINC000078302100 1081928205 /nfs/dbraw/zinc/92/82/05/1081928205.db2.gz GVOPGBZTAYNXRD-UHFFFAOYSA-N -1 1 361.445 4.264 20 0 FIADMM Cc1ccc(C)c([C@@H]2CN(CCc3ccccc3C(=O)[O-])[C@H](C)CO2)c1 ZINC000580778452 1082135923 /nfs/dbraw/zinc/13/59/23/1082135923.db2.gz KNOOAZXWSNCHQN-UTKZUKDTSA-N -1 1 353.462 4.006 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1 ZINC000048230698 1082292371 /nfs/dbraw/zinc/29/23/71/1082292371.db2.gz XGSQCFQHRSJODM-UHFFFAOYSA-N -1 1 368.336 4.161 20 0 FIADMM Cn1nc(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)c2ccccc21 ZINC001167445191 1082301304 /nfs/dbraw/zinc/30/13/04/1082301304.db2.gz USDQVIZIPWGGRL-UHFFFAOYSA-N -1 1 365.820 4.267 20 0 FIADMM Cc1ccc(-c2nnc([C@@H](C)O[N-]C(=O)CCCc3ccccc3)o2)cc1 ZINC000160777970 1082331230 /nfs/dbraw/zinc/33/12/30/1082331230.db2.gz KZPLIDOTHVDGTN-MRXNPFEDSA-N -1 1 365.433 4.177 20 0 FIADMM O=c1nc(-c2ccc(O)c(F)c2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000581286052 1082434923 /nfs/dbraw/zinc/43/49/23/1082434923.db2.gz GKBVDEXTSVWHNJ-UHFFFAOYSA-N -1 1 356.353 4.302 20 0 FIADMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1)C1CC1 ZINC000581291727 1082441231 /nfs/dbraw/zinc/44/12/31/1082441231.db2.gz JADJBGWCRYXIBI-UHFFFAOYSA-N -1 1 372.490 4.126 20 0 FIADMM CCc1cccc2cc(CN[C@@H](Cc3cc(C)cc(C)c3)C(=O)[O-])oc21 ZINC000656573947 1082592829 /nfs/dbraw/zinc/59/28/29/1082592829.db2.gz QWZMRUXEYZFPJI-FQEVSTJZSA-N -1 1 351.446 4.398 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656768682 1082760089 /nfs/dbraw/zinc/76/00/89/1082760089.db2.gz MXSJBDOSSBLIAA-DLBZAZTESA-N -1 1 372.292 4.400 20 0 FIADMM Cc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)cc1Cl ZINC000684459076 1082995279 /nfs/dbraw/zinc/99/52/79/1082995279.db2.gz BPCBLZUCAXNSLI-UHFFFAOYSA-N -1 1 371.864 4.398 20 0 FIADMM COC(=O)Cc1ccccc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001213062885 1083065683 /nfs/dbraw/zinc/06/56/83/1083065683.db2.gz IHACWIWFNYNKNL-UHFFFAOYSA-N -1 1 370.630 4.267 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)c(C)c1 ZINC000471961824 1083431998 /nfs/dbraw/zinc/43/19/98/1083431998.db2.gz WZZOVNWJHSUCJT-UHFFFAOYSA-N -1 1 351.493 4.225 20 0 FIADMM O=C([O-])c1cccc(CN2CC[C@@H](OCCCc3ccccc3)C2)c1Cl ZINC000569734315 1083634944 /nfs/dbraw/zinc/63/49/44/1083634944.db2.gz ZNMIRMUIUCGBQW-GOSISDBHSA-N -1 1 373.880 4.262 20 0 FIADMM O=C([O-])c1cccc(Cl)c1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000584475388 1083742492 /nfs/dbraw/zinc/74/24/92/1083742492.db2.gz HGBUXYTWZLVJCH-NSHDSACASA-N -1 1 351.780 4.306 20 0 FIADMM CC[C@@H](C)[C@@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000277120699 1083755249 /nfs/dbraw/zinc/75/52/49/1083755249.db2.gz AWQWPMIKFGTNCV-BDJLRTHQSA-N -1 1 366.255 4.298 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC000612382538 1083761036 /nfs/dbraw/zinc/76/10/36/1083761036.db2.gz OAUOKUGJGYLAMO-UHFFFAOYSA-N -1 1 355.478 4.174 20 0 FIADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ncc3ccccc3c1[O-])CCC2 ZINC000612473462 1083834445 /nfs/dbraw/zinc/83/44/45/1083834445.db2.gz QXZSZSNXYHHHPH-HNNXBMFYSA-N -1 1 367.474 4.109 20 0 FIADMM COc1cc(NC(=O)c2ccc3ccccc3c2[O-])cc(OC)c1Cl ZINC001299160664 1083935462 /nfs/dbraw/zinc/93/54/62/1083935462.db2.gz MTWHROHMLCNGLK-UHFFFAOYSA-N -1 1 357.793 4.468 20 0 FIADMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2s1 ZINC000068076384 1084044027 /nfs/dbraw/zinc/04/40/27/1084044027.db2.gz QEFLYVVDTQGDAU-UHFFFAOYSA-N -1 1 374.487 4.251 20 0 FIADMM CCc1nc(SCc2ccc(-n3nc(C)cc3C)cc2)[n-]c(=O)c1C ZINC000657264936 1084137882 /nfs/dbraw/zinc/13/78/82/1084137882.db2.gz NZBBTDPKKCRGQB-UHFFFAOYSA-N -1 1 354.479 4.148 20 0 FIADMM CC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CCC1 ZINC000277292086 1084168526 /nfs/dbraw/zinc/16/85/26/1084168526.db2.gz APWGFDNMQVPRRO-UHFFFAOYSA-N -1 1 363.049 4.046 20 0 FIADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000091991130 1084598959 /nfs/dbraw/zinc/59/89/59/1084598959.db2.gz KJYUXHOHVOHLQJ-CQSZACIVSA-N -1 1 362.470 4.247 20 0 FIADMM CCCCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000017442770 1084656487 /nfs/dbraw/zinc/65/64/87/1084656487.db2.gz GWWKYRXROXXEFL-UHFFFAOYSA-N -1 1 374.506 4.058 20 0 FIADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2(c3c(F)cccc3F)CCCC2)c1 ZINC001143438546 1084702239 /nfs/dbraw/zinc/70/22/39/1084702239.db2.gz AUJSUYMOKWZERY-UHFFFAOYSA-N -1 1 373.399 4.033 20 0 FIADMM CCn1c(CNC(=O)c2cc3sc4ccccc4c3s2)n[n-]c1=S ZINC000066636257 1084798174 /nfs/dbraw/zinc/79/81/74/1084798174.db2.gz IVCBKXWFIFHHPN-UHFFFAOYSA-N -1 1 374.516 4.320 20 0 FIADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1sccc1-c1ccc(F)cc1 ZINC000066638421 1084834782 /nfs/dbraw/zinc/83/47/82/1084834782.db2.gz HXSCPVXCVUQMQI-UHFFFAOYSA-N -1 1 374.466 4.073 20 0 FIADMM CC(C)n1c(CNC(=O)c2ccccc2Cc2ccccc2)n[n-]c1=S ZINC000066639194 1084836462 /nfs/dbraw/zinc/83/64/62/1084836462.db2.gz VSRFGNJGFYLCBR-UHFFFAOYSA-N -1 1 366.490 4.042 20 0 FIADMM O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc([O-])c(F)c1 ZINC000613510161 1084883453 /nfs/dbraw/zinc/88/34/53/1084883453.db2.gz JUAXMQDDMNWHDN-UHFFFAOYSA-N -1 1 361.438 4.196 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000176662436 1084900706 /nfs/dbraw/zinc/90/07/06/1084900706.db2.gz IAXLOELNTLKGHK-HOCLYGCPSA-N -1 1 372.538 4.247 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000175216487 1084905809 /nfs/dbraw/zinc/90/58/09/1084905809.db2.gz SMWKICQHYOPBDH-MRXNPFEDSA-N -1 1 370.207 4.052 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000684866647 1084984014 /nfs/dbraw/zinc/98/40/14/1084984014.db2.gz UFXLMYSRAQXNTN-KYPFXXDHSA-N -1 1 367.489 4.337 20 0 FIADMM CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684870337 1084996875 /nfs/dbraw/zinc/99/68/75/1084996875.db2.gz ALYUPPVQVBHRFT-UHFFFAOYSA-N -1 1 366.339 4.258 20 0 FIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870513 1084999717 /nfs/dbraw/zinc/99/97/17/1084999717.db2.gz FTMQOXZXGPPEKB-INIZCTEOSA-N -1 1 365.351 4.397 20 0 FIADMM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871127 1085000248 /nfs/dbraw/zinc/00/02/48/1085000248.db2.gz VBJZWRYLTHTYIF-UHFFFAOYSA-N -1 1 364.323 4.012 20 0 FIADMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870747 1085001026 /nfs/dbraw/zinc/00/10/26/1085001026.db2.gz NOECNAYKKBBCEE-NSHDSACASA-N -1 1 353.340 4.253 20 0 FIADMM Cc1nccc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)c2)n1 ZINC000684871404 1085002212 /nfs/dbraw/zinc/00/22/12/1085002212.db2.gz JCCNHFLZAMSBMO-UHFFFAOYSA-N -1 1 373.334 4.429 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000175776639 1085002861 /nfs/dbraw/zinc/00/28/61/1085002861.db2.gz NNMQGUIXJXKHTE-UHFFFAOYSA-N -1 1 373.396 4.129 20 0 FIADMM CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871530 1085003204 /nfs/dbraw/zinc/00/32/04/1085003204.db2.gz FCMVNKHHGQHZGR-UHFFFAOYSA-N -1 1 371.330 4.091 20 0 FIADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873906 1085010595 /nfs/dbraw/zinc/01/05/95/1085010595.db2.gz HTHMITNZGSBRON-CYBMUJFWSA-N -1 1 371.742 4.318 20 0 FIADMM COCc1ccc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)c([O-])c2)o1 ZINC000684878017 1085024724 /nfs/dbraw/zinc/02/47/24/1085024724.db2.gz IEPAROMLBZIGSE-CQSZACIVSA-N -1 1 369.339 4.128 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1Cl ZINC000468516796 1085054877 /nfs/dbraw/zinc/05/48/77/1085054877.db2.gz JRJMQNOAJMXRNO-UHFFFAOYSA-N -1 1 366.870 4.223 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OCCOC)c2)cc1 ZINC000511142173 1085077330 /nfs/dbraw/zinc/07/73/30/1085077330.db2.gz DRAWAFXMMOXRRA-OAHLLOKOSA-N -1 1 363.479 4.026 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCCC2)c([O-])c1 ZINC001648916985 1085438943 /nfs/dbraw/zinc/43/89/43/1085438943.db2.gz ANOIRQZIZMHSPU-YOEHRIQHSA-N -1 1 374.481 4.295 20 0 FIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1F ZINC000014256103 1085607995 /nfs/dbraw/zinc/60/79/95/1085607995.db2.gz XKJRKEASSFYAHE-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c2ccccc12 ZINC000182263556 1085878085 /nfs/dbraw/zinc/87/80/85/1085878085.db2.gz NZUGFNZHQYJCSM-UHFFFAOYSA-N -1 1 372.421 4.047 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cccc(Br)c1 ZINC000040446648 1085910629 /nfs/dbraw/zinc/91/06/29/1085910629.db2.gz CNDHNHLOHRTARL-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC(OCC2CC2)CC1 ZINC000652429130 1086033417 /nfs/dbraw/zinc/03/34/17/1086033417.db2.gz ZZBGCCMCPLMIBD-INIZCTEOSA-N -1 1 358.265 4.010 20 0 FIADMM CCc1ccc([C@@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000431515050 1086033897 /nfs/dbraw/zinc/03/38/97/1086033897.db2.gz WLQOEXKLZBJWTJ-HXUWFJFHSA-N -1 1 374.488 4.417 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2ccc(F)cc2Br)[n-]1 ZINC000583052879 1086090695 /nfs/dbraw/zinc/09/06/95/1086090695.db2.gz LHEUUBMHAAPXNY-UHFFFAOYSA-N -1 1 365.174 4.314 20 0 FIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000055616756 1086125679 /nfs/dbraw/zinc/12/56/79/1086125679.db2.gz ATAXBXQNESNRAC-UHFFFAOYSA-N -1 1 373.261 4.143 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1 ZINC000150804035 1086352380 /nfs/dbraw/zinc/35/23/80/1086352380.db2.gz RKBRUCNRTIQJMZ-UHFFFAOYSA-N -1 1 374.487 4.481 20 0 FIADMM C[C@@H]1COCC[C@@H]1c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000583242171 1086456926 /nfs/dbraw/zinc/45/69/26/1086456926.db2.gz DKXJXFRTIOCQHZ-CJNGLKHVSA-N -1 1 352.390 4.375 20 0 FIADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](c2ccsc2)O1 ZINC000150869428 1086511391 /nfs/dbraw/zinc/51/13/91/1086511391.db2.gz JLEBVKOVONKHGV-ORAYPTAESA-N -1 1 353.443 4.209 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCC[C@@H](F)C1 ZINC000565022538 1086517452 /nfs/dbraw/zinc/51/74/52/1086517452.db2.gz GGFJKYZPFORPOL-VXNVDRBHSA-N -1 1 350.615 4.275 20 0 FIADMM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c(F)ccc([O-])c1F ZINC000536100270 1086911386 /nfs/dbraw/zinc/91/13/86/1086911386.db2.gz XHDDYKWHUPVZEU-QMMMGPOBSA-N -1 1 360.187 4.338 20 0 FIADMM O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000151751698 1087236447 /nfs/dbraw/zinc/23/64/47/1087236447.db2.gz HYOPDYIZALRXHG-UHFFFAOYSA-N -1 1 368.820 4.201 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC000084762061 1087358149 /nfs/dbraw/zinc/35/81/49/1087358149.db2.gz XIIREOYTWUGAAK-SNAWJCMRSA-N -1 1 370.522 4.079 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCCc4ccc(F)cc43)nc2)[n-]c(=O)c1C ZINC000092976539 1087450386 /nfs/dbraw/zinc/45/03/86/1087450386.db2.gz LXCKSIAJIOGKGG-GOSISDBHSA-N -1 1 364.424 4.077 20 0 FIADMM Cc1c2ccccc2oc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000198758670 1087514245 /nfs/dbraw/zinc/51/42/45/1087514245.db2.gz CAHOFQIDBLRQOS-UHFFFAOYSA-N -1 1 363.413 4.182 20 0 FIADMM CCC(C)(CC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000685366252 1087545115 /nfs/dbraw/zinc/54/51/15/1087545115.db2.gz AOVSQGSSIXUDNR-UHFFFAOYSA-N -1 1 355.232 4.291 20 0 FIADMM CCc1ccc(-c2nc(CN3CCC[C@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000263145299 1087565422 /nfs/dbraw/zinc/56/54/22/1087565422.db2.gz OSPQEUAKCWRFHA-MRXNPFEDSA-N -1 1 358.507 4.449 20 0 FIADMM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1c(F)ccc([O-])c1F ZINC000685487464 1087581270 /nfs/dbraw/zinc/58/12/70/1087581270.db2.gz GZKQNUOMAQBFKK-UHFFFAOYSA-N -1 1 355.743 4.081 20 0 FIADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cnc(-c2ccco2)s1 ZINC000171732577 1087585243 /nfs/dbraw/zinc/58/52/43/1087585243.db2.gz AQIRLWQBBPGHPK-UHFFFAOYSA-N -1 1 368.443 4.098 20 0 FIADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc(Cl)ncc1F ZINC001125780867 1087702290 /nfs/dbraw/zinc/70/22/90/1087702290.db2.gz YEVFODJIQUPURT-UHFFFAOYSA-N -1 1 369.208 4.298 20 0 FIADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(F)c(F)c(F)c1F ZINC000504604436 1087749805 /nfs/dbraw/zinc/74/98/05/1087749805.db2.gz FEYLSFDLUUUMKO-UHFFFAOYSA-N -1 1 373.375 4.470 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000102900104 1087902737 /nfs/dbraw/zinc/90/27/37/1087902737.db2.gz FTCAWKFIHMOULG-QGZVFWFLSA-N -1 1 370.522 4.097 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)Cc2ccc(C)s2)cc(Cl)c1[O-] ZINC000186824295 1087996365 /nfs/dbraw/zinc/99/63/65/1087996365.db2.gz XGKXKDXAZCPVMT-JTQLQIEISA-N -1 1 353.871 4.175 20 0 FIADMM CC[C@H](C)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000504950758 1087999799 /nfs/dbraw/zinc/99/97/99/1087999799.db2.gz WKUFGIIDWQMTOD-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)c2c(F)cccc2OC)cc(Cl)c1[O-] ZINC000186835699 1088004471 /nfs/dbraw/zinc/00/44/71/1088004471.db2.gz HUYHQBSCGZTHHN-JTQLQIEISA-N -1 1 367.804 4.083 20 0 FIADMM CCOc1cc(C(=O)Nc2c(F)cccc2NC2CC2)cc(Cl)c1[O-] ZINC000186844843 1088009056 /nfs/dbraw/zinc/00/90/56/1088009056.db2.gz RSXJVXVNISCCDT-UHFFFAOYSA-N -1 1 364.804 4.410 20 0 FIADMM CCOc1cc(C(=O)NC[C@H](c2cccnc2)C(C)C)cc(Cl)c1[O-] ZINC000186854849 1088021434 /nfs/dbraw/zinc/02/14/34/1088021434.db2.gz BRHLPQRDEZZMLS-HNNXBMFYSA-N -1 1 362.857 4.009 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3ncco3)c2)cc(Cl)c1[O-] ZINC000186939668 1088043513 /nfs/dbraw/zinc/04/35/13/1088043513.db2.gz WFLJZXKMZWSXHQ-UHFFFAOYSA-N -1 1 358.781 4.352 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000176943596 1088144260 /nfs/dbraw/zinc/14/42/60/1088144260.db2.gz OYHXSLJPZKZBJP-UHFFFAOYSA-N -1 1 356.422 4.161 20 0 FIADMM Cc1cc(Cl)ccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000134634055 1088244354 /nfs/dbraw/zinc/24/43/54/1088244354.db2.gz LXYODEOXAUAALK-UHFFFAOYSA-N -1 1 357.837 4.089 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1 ZINC000513818641 1088414182 /nfs/dbraw/zinc/41/41/82/1088414182.db2.gz HNXYXNJPHHYZDI-UHFFFAOYSA-N -1 1 356.447 4.341 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000650960293 1088433582 /nfs/dbraw/zinc/43/35/82/1088433582.db2.gz CVFCWQSMTGDRSP-WDSOQIARSA-N -1 1 357.837 4.180 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)ncc1Br ZINC000311427873 1088652925 /nfs/dbraw/zinc/65/29/25/1088652925.db2.gz MEEHFZHIQQZZGU-UHFFFAOYSA-N -1 1 362.010 4.109 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(Cl)c2cccnc12 ZINC000589690081 1088727515 /nfs/dbraw/zinc/72/75/15/1088727515.db2.gz IDEISUGFZMLVCK-UHFFFAOYSA-N -1 1 354.822 4.014 20 0 FIADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000180524275 1088776454 /nfs/dbraw/zinc/77/64/54/1088776454.db2.gz ADHGSQUWNXHWJX-SECBINFHSA-N -1 1 358.385 4.318 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000180724340 1088778563 /nfs/dbraw/zinc/77/85/63/1088778563.db2.gz GWWVRPLGUJMBDA-HNNXBMFYSA-N -1 1 364.367 4.128 20 0 FIADMM Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c(Cl)c1 ZINC000181770278 1088833452 /nfs/dbraw/zinc/83/34/52/1088833452.db2.gz DGGARNMVWXBTOA-LBPRGKRZSA-N -1 1 367.854 4.027 20 0 FIADMM Cc1cc([C@@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)oc1C(=O)[O-] ZINC000659795853 1088878686 /nfs/dbraw/zinc/87/86/86/1088878686.db2.gz IKRBFMVNAPEEAS-GFCCVEGCSA-N -1 1 371.355 4.420 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2c(s1)CCCCC2 ZINC000549972131 1088930669 /nfs/dbraw/zinc/93/06/69/1088930669.db2.gz NFSGKLYVVODVHN-UHFFFAOYSA-N -1 1 353.447 4.365 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000135513735 1088951326 /nfs/dbraw/zinc/95/13/26/1088951326.db2.gz DQNZVJKFHASQCV-UHFFFAOYSA-N -1 1 369.418 4.023 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccc(F)cc1F ZINC000182862539 1088952185 /nfs/dbraw/zinc/95/21/85/1088952185.db2.gz XWXIZXWGUPDBRX-UHFFFAOYSA-N -1 1 363.751 4.070 20 0 FIADMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(OC)c(C)c1OC ZINC000434965318 1089159287 /nfs/dbraw/zinc/15/92/87/1089159287.db2.gz SYTFVTKGBDAIIL-UHFFFAOYSA-N -1 1 366.801 4.024 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1csc(-c2ccccc2)n1 ZINC000613667175 1089257484 /nfs/dbraw/zinc/25/74/84/1089257484.db2.gz KRCALZDCLQEZLL-UHFFFAOYSA-N -1 1 362.414 4.158 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnc(-c2ccccc2)s1 ZINC000613668368 1089267045 /nfs/dbraw/zinc/26/70/45/1089267045.db2.gz MHGARAREXXBPPU-UHFFFAOYSA-N -1 1 362.414 4.158 20 0 FIADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(-c2ccccc2Cl)cs1 ZINC000514672487 1089345988 /nfs/dbraw/zinc/34/59/88/1089345988.db2.gz LOQABGUJIJFVOA-NWDGAFQWSA-N -1 1 350.871 4.149 20 0 FIADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(-c2ccccc2Cl)cs1 ZINC000514672486 1089346812 /nfs/dbraw/zinc/34/68/12/1089346812.db2.gz LOQABGUJIJFVOA-NEPJUHHUSA-N -1 1 350.871 4.149 20 0 FIADMM CCCC[C@H](CC)CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000514791340 1089475011 /nfs/dbraw/zinc/47/50/11/1089475011.db2.gz NVQCTJMWGFWLSE-MAUKXSAKSA-N -1 1 363.498 4.294 20 0 FIADMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435445695 1089668953 /nfs/dbraw/zinc/66/89/53/1089668953.db2.gz GKUQDKDDOXDTPJ-UWVGGRQHSA-N -1 1 372.314 4.085 20 0 FIADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)ccc2SC2CCCC2)n1 ZINC000415653396 1089799171 /nfs/dbraw/zinc/79/91/71/1089799171.db2.gz XCBGAFYDDVJFKI-UHFFFAOYSA-N -1 1 373.478 4.182 20 0 FIADMM O=C(CCOc1cc(Cl)ccc1Cl)Nc1cc([O-])c(F)cc1F ZINC001625892925 1089917199 /nfs/dbraw/zinc/91/71/99/1089917199.db2.gz AQZNNHWNIRVLQH-UHFFFAOYSA-N -1 1 362.159 4.385 20 0 FIADMM O=C(Nc1ccccc1C(=O)Nc1cc([O-])c(F)cc1F)c1ccsc1 ZINC001625892999 1089920221 /nfs/dbraw/zinc/92/02/21/1089920221.db2.gz CRNKZLOLKWWVJG-UHFFFAOYSA-N -1 1 374.368 4.237 20 0 FIADMM O=C(CCCc1ccccc1Br)Nc1cc([O-])c(F)cc1F ZINC001625893009 1089920255 /nfs/dbraw/zinc/92/02/55/1089920255.db2.gz DBTKXXUHZLASEN-UHFFFAOYSA-N -1 1 370.193 4.394 20 0 FIADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000549372559 1089939962 /nfs/dbraw/zinc/93/99/62/1089939962.db2.gz WGJLNRYWMHPODG-GZMMTYOYSA-N -1 1 358.747 4.007 20 0 FIADMM O=C(Nc1ccccc1C(=O)Nc1cc([O-])c(F)cc1F)c1cccs1 ZINC001625893354 1089950340 /nfs/dbraw/zinc/95/03/40/1089950340.db2.gz HKBLQNLIVXXZRN-UHFFFAOYSA-N -1 1 374.368 4.237 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1sccc1Br ZINC000182129284 1090047344 /nfs/dbraw/zinc/04/73/44/1090047344.db2.gz MMFFDDQVHSMIKY-UHFFFAOYSA-N -1 1 372.294 4.343 20 0 FIADMM CCc1nc(SCc2ccc(F)c(Br)c2)[n-]c(=O)c1C ZINC000582133043 1090138302 /nfs/dbraw/zinc/13/83/02/1090138302.db2.gz HENKXKLWFGQEFK-UHFFFAOYSA-N -1 1 357.248 4.247 20 0 FIADMM O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Br)c([O-])c1 ZINC000318661479 1090471049 /nfs/dbraw/zinc/47/10/49/1090471049.db2.gz ZBKRTLVZSJVVHQ-UHFFFAOYSA-N -1 1 374.156 4.104 20 0 FIADMM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1cc([O-])c(F)cc1F ZINC001625896576 1090908969 /nfs/dbraw/zinc/90/89/69/1090908969.db2.gz NXQIFXOUKJENAJ-UHFFFAOYSA-N -1 1 369.367 4.431 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(C(F)(F)F)s1)c1cccc(Cl)c1 ZINC000417556117 1090924576 /nfs/dbraw/zinc/92/45/76/1090924576.db2.gz NLRQKZXYWQMXNT-NSHDSACASA-N -1 1 364.776 4.121 20 0 FIADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000417562266 1090927779 /nfs/dbraw/zinc/92/77/79/1090927779.db2.gz CFMMSCLQHFQPIF-ROUUACIJSA-N -1 1 374.506 4.424 20 0 FIADMM COc1cc(Cl)c(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417624067 1090941952 /nfs/dbraw/zinc/94/19/52/1090941952.db2.gz KIQSQVMESAZDPB-BBRMVZONSA-N -1 1 366.244 4.405 20 0 FIADMM Cc1cc(Br)c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636284 1090951278 /nfs/dbraw/zinc/95/12/78/1090951278.db2.gz XLCQHOUMYFESGB-GXTWGEPZSA-N -1 1 366.280 4.222 20 0 FIADMM CC(C)(C)c1ccc(-c2ccc(CN[C@@H](C[C@H]3CCOC3)C(=O)[O-])o2)cc1 ZINC000417663163 1090954660 /nfs/dbraw/zinc/95/46/60/1090954660.db2.gz MURPQCOAEZZCCI-BEFAXECRSA-N -1 1 371.477 4.214 20 0 FIADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000511710852 1091556718 /nfs/dbraw/zinc/55/67/18/1091556718.db2.gz ZBZSDXHLFSGGBX-LLVKDONJSA-N -1 1 357.834 4.457 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1F ZINC000511714592 1091557492 /nfs/dbraw/zinc/55/74/92/1091557492.db2.gz KKGYJTTWWYQJNS-UHFFFAOYSA-N -1 1 372.421 4.431 20 0 FIADMM COc1ccc(-c2nc(-c3cc(Br)ccc3C)no2)c([O-])c1 ZINC000319906456 1091806007 /nfs/dbraw/zinc/80/60/07/1091806007.db2.gz KICRPZBPOYPLNM-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)c2)n1 ZINC000467924127 1092518921 /nfs/dbraw/zinc/51/89/21/1092518921.db2.gz GXKFITQIMBQTIS-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442235247 1092527912 /nfs/dbraw/zinc/52/79/12/1092527912.db2.gz HTJROGNJZYQIED-UHFFFAOYSA-N -1 1 368.792 4.276 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)CCCCC(=O)c3ccccc3)[nH][n-]2)s1 ZINC000500859793 1092652412 /nfs/dbraw/zinc/65/24/12/1092652412.db2.gz QXWBLSVECORECE-UHFFFAOYSA-N -1 1 367.474 4.250 20 0 FIADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3SC)cc2O1 ZINC000442840211 1092798842 /nfs/dbraw/zinc/79/88/42/1092798842.db2.gz CWUQKRLDRFTCGA-QGZVFWFLSA-N -1 1 365.476 4.107 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000442955153 1092872941 /nfs/dbraw/zinc/87/29/41/1092872941.db2.gz JJZQCMBMRBFGME-HNNXBMFYSA-N -1 1 359.853 4.149 20 0 FIADMM COc1ccc(N(CC(C)C)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000442941625 1092877473 /nfs/dbraw/zinc/87/74/73/1092877473.db2.gz IUPQTCQSVXWTBM-UHFFFAOYSA-N -1 1 363.841 4.366 20 0 FIADMM CCCCC1CCC(C(=O)NCCc2n[n-]c(=S)n2C(C)C)CC1 ZINC000067073426 1092906529 /nfs/dbraw/zinc/90/65/29/1092906529.db2.gz DFUYAOQWFPOEJY-UHFFFAOYSA-N -1 1 352.548 4.177 20 0 FIADMM CC(C)c1csc2nc(-c3ccc(OCC(F)F)cn3)[n-]c(=O)c12 ZINC000443062782 1092924844 /nfs/dbraw/zinc/92/48/44/1092924844.db2.gz XKGJNEBZAOYPKT-UHFFFAOYSA-N -1 1 351.378 4.226 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc(Cl)c1[O-] ZINC000443129780 1092956659 /nfs/dbraw/zinc/95/66/59/1092956659.db2.gz HHDZUWGMFVFUIH-SCOAYWHSSA-N -1 1 357.837 4.372 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1C ZINC000512589594 1092969333 /nfs/dbraw/zinc/96/93/33/1092969333.db2.gz YNIVXXGHQWMLOA-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc(Cl)c1[O-] ZINC000443215167 1092986323 /nfs/dbraw/zinc/98/63/23/1092986323.db2.gz XPOAVPOABABZGT-UHFFFAOYSA-N -1 1 356.769 4.038 20 0 FIADMM COc1cc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443289788 1093036288 /nfs/dbraw/zinc/03/62/88/1093036288.db2.gz NWLNOOOWXSGJSI-GXSJLCMTSA-N -1 1 365.779 4.153 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000443308858 1093045531 /nfs/dbraw/zinc/04/55/31/1093045531.db2.gz DRKLXGJXIMWJTB-ZBEGNZNMSA-N -1 1 363.816 4.417 20 0 FIADMM Cc1ccc(NC(=O)[C@H](C)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000522321234 1093316258 /nfs/dbraw/zinc/31/62/58/1093316258.db2.gz IRSMNOAVMATBDR-HNNXBMFYSA-N -1 1 374.506 4.417 20 0 FIADMM Cc1ccc(NC(=O)[C@@H](C)C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000522323668 1093322646 /nfs/dbraw/zinc/32/26/46/1093322646.db2.gz XTXGDKGUAIDXJK-OAHLLOKOSA-N -1 1 374.506 4.417 20 0 FIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1cccc([O-])c1Cl ZINC000645165895 1093343816 /nfs/dbraw/zinc/34/38/16/1093343816.db2.gz HVESLPINZSBTKA-UHFFFAOYSA-N -1 1 372.774 4.258 20 0 FIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3C)c2)n1 ZINC000522360501 1093399710 /nfs/dbraw/zinc/39/97/10/1093399710.db2.gz BDSGBZHMMZMUHR-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM COc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1Br ZINC000389148880 1093454208 /nfs/dbraw/zinc/45/42/08/1093454208.db2.gz IWPYLSYMKMJABR-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429906349 1093471423 /nfs/dbraw/zinc/47/14/23/1093471423.db2.gz FORBPHDGSBEVOV-SNVBAGLBSA-N -1 1 364.216 4.249 20 0 FIADMM CC[C@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000729025210 1093920010 /nfs/dbraw/zinc/92/00/10/1093920010.db2.gz WUTLIERNWVVXKV-CQSZACIVSA-N -1 1 352.386 4.126 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1Cl ZINC000513367668 1094083209 /nfs/dbraw/zinc/08/32/09/1094083209.db2.gz YLSOAHLJGQFGLM-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM Cc1nc(-c2ccc(NCc3cnccc3C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000413522645 1094087977 /nfs/dbraw/zinc/08/79/77/1094087977.db2.gz WRIRHSIFFJDQSA-UHFFFAOYSA-N -1 1 363.465 4.166 20 0 FIADMM CCC[C@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000262689211 1094141248 /nfs/dbraw/zinc/14/12/48/1094141248.db2.gz FLZHKOPRNOZVFU-AWEZNQCLSA-N -1 1 352.228 4.052 20 0 FIADMM CC(C)C[C@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000262715208 1094146003 /nfs/dbraw/zinc/14/60/03/1094146003.db2.gz RLRMZYIICIQEAD-HNNXBMFYSA-N -1 1 366.255 4.298 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCc2ccc(Cl)cc21 ZINC000116149724 1094413102 /nfs/dbraw/zinc/41/31/02/1094413102.db2.gz BFSAHMDEVDWRFY-UHFFFAOYSA-N -1 1 352.615 4.011 20 0 FIADMM CC1(C)CC[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000513720528 1094900580 /nfs/dbraw/zinc/90/05/80/1094900580.db2.gz LRMUFUJVUGOVFD-OAHLLOKOSA-N -1 1 372.490 4.252 20 0 FIADMM C[C@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC[C@@H]1C ZINC000501813815 1094952905 /nfs/dbraw/zinc/95/29/05/1094952905.db2.gz FGISCKAQBPDLPS-STQMWFEESA-N -1 1 371.481 4.269 20 0 FIADMM CCC(CC)(CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000474973253 1094965068 /nfs/dbraw/zinc/96/50/68/1094965068.db2.gz WCPNXEOFMUMVJV-UHFFFAOYSA-N -1 1 369.509 4.276 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)c1 ZINC000389238380 1094991576 /nfs/dbraw/zinc/99/15/76/1094991576.db2.gz KEVPMBFXTKIEIU-UHFFFAOYSA-N -1 1 362.209 4.136 20 0 FIADMM [O-]c1ccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)c(F)c1 ZINC000436685387 1094995587 /nfs/dbraw/zinc/99/55/87/1094995587.db2.gz AOGZDWBRSHBHSN-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM Cc1cc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)sc1Cl ZINC000420734131 1095051965 /nfs/dbraw/zinc/05/19/65/1095051965.db2.gz JAVQLKOQCYDCPF-LLVKDONJSA-N -1 1 365.854 4.385 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000522745089 1095633823 /nfs/dbraw/zinc/63/38/23/1095633823.db2.gz CWNHOMVYYYVUBS-UHFFFAOYSA-N -1 1 367.474 4.242 20 0 FIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000281696013 1095676988 /nfs/dbraw/zinc/67/69/88/1095676988.db2.gz GNZPGCRJVDAKKZ-OAHLLOKOSA-N -1 1 371.506 4.046 20 0 FIADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000522807393 1095709025 /nfs/dbraw/zinc/70/90/25/1095709025.db2.gz XLLSONNRSHVBCW-UHFFFAOYSA-N -1 1 367.854 4.051 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1cccc(Cl)c1 ZINC000522828377 1095752184 /nfs/dbraw/zinc/75/21/84/1095752184.db2.gz GYFNJBARIIEYDF-SSDOTTSWSA-N -1 1 362.760 4.218 20 0 FIADMM CCSc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000504429194 1096770707 /nfs/dbraw/zinc/77/07/07/1096770707.db2.gz LNNDVCYXTIDDBB-UHFFFAOYSA-N -1 1 353.447 4.076 20 0 FIADMM C[C@@H]1CC=C(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000454752001 1098739268 /nfs/dbraw/zinc/73/92/68/1098739268.db2.gz WVIHBEPNBAAOPT-OAHLLOKOSA-N -1 1 370.474 4.172 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000515652802 1098791562 /nfs/dbraw/zinc/79/15/62/1098791562.db2.gz WDTUETNXSCFHDD-OAHLLOKOSA-N -1 1 374.506 4.139 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000436173356 1098799367 /nfs/dbraw/zinc/79/93/67/1098799367.db2.gz GMUXCSQGFMAXSJ-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2ccc(OCc3ccccc3F)nc2)n1 ZINC000436208134 1098816632 /nfs/dbraw/zinc/81/66/32/1098816632.db2.gz URRHBRACUCIRNV-UHFFFAOYSA-N -1 1 371.437 4.150 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)cc2s1 ZINC000505805907 1098976716 /nfs/dbraw/zinc/97/67/16/1098976716.db2.gz ZNOBUROUFQNYFJ-UHFFFAOYSA-N -1 1 373.434 4.093 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000515866603 1099007983 /nfs/dbraw/zinc/00/79/83/1099007983.db2.gz WXILOLYFDHSFFK-UHFFFAOYSA-N -1 1 364.898 4.440 20 0 FIADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(Br)cc1[O-] ZINC000436490848 1099065333 /nfs/dbraw/zinc/06/53/33/1099065333.db2.gz ZADNQBWZVIZXIC-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM C[C@H](Cc1cnc2ccccc2n1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436519778 1099075574 /nfs/dbraw/zinc/07/55/74/1099075574.db2.gz BFGBJDMNALGKJU-LLVKDONJSA-N -1 1 366.808 4.385 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(F)c3Br)n2)c(F)c1 ZINC000436522878 1099079364 /nfs/dbraw/zinc/07/93/64/1099079364.db2.gz XYIZYNPLGQVKCL-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436534914 1099088607 /nfs/dbraw/zinc/08/86/07/1099088607.db2.gz JBWLHJWZTUAYCP-ZDUSSCGKSA-N -1 1 362.267 4.166 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000436548425 1099094802 /nfs/dbraw/zinc/09/48/02/1099094802.db2.gz BYXCYMQCQCWCQE-GFCCVEGCSA-N -1 1 351.780 4.171 20 0 FIADMM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436557460 1099099313 /nfs/dbraw/zinc/09/93/13/1099099313.db2.gz WKIKUASRRDZKHL-UHFFFAOYSA-N -1 1 362.429 4.244 20 0 FIADMM CC1CCC(OC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)CC1 ZINC000436557597 1099101627 /nfs/dbraw/zinc/10/16/27/1099101627.db2.gz UUUSEFJUVCWEQH-UHFFFAOYSA-N -1 1 351.874 4.246 20 0 FIADMM Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1C(=O)NC(C)C ZINC000436557667 1099101851 /nfs/dbraw/zinc/10/18/51/1099101851.db2.gz OEHNELFCOIYLBG-UHFFFAOYSA-N -1 1 362.429 4.244 20 0 FIADMM COc1ccc(CC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000436542114 1099108972 /nfs/dbraw/zinc/10/89/72/1099108972.db2.gz DCQNBLALLABVMC-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM Cc1ccccc1[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)CO1 ZINC000436581852 1099130235 /nfs/dbraw/zinc/13/02/35/1099130235.db2.gz GFCDEVJODVCZDB-ZHRRBRCNSA-N -1 1 361.441 4.456 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc(Cc2ccccc2)no1 ZINC000436589063 1099137233 /nfs/dbraw/zinc/13/72/33/1099137233.db2.gz OLVHKGGCSRNOLC-CQSZACIVSA-N -1 1 373.412 4.010 20 0 FIADMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000436618159 1099137288 /nfs/dbraw/zinc/13/72/88/1099137288.db2.gz MUBFQRQVYDNBPC-UHFFFAOYSA-N -1 1 359.425 4.242 20 0 FIADMM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000436590535 1099137309 /nfs/dbraw/zinc/13/73/09/1099137309.db2.gz NKUOMBJNLGFMMH-OAHLLOKOSA-N -1 1 359.853 4.149 20 0 FIADMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436601156 1099138448 /nfs/dbraw/zinc/13/84/48/1099138448.db2.gz BAFJEPHXQGTKHO-HNNXBMFYSA-N -1 1 369.852 4.009 20 0 FIADMM CC(C)(CO)[C@H](CNC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436601111 1099139049 /nfs/dbraw/zinc/13/90/49/1099139049.db2.gz BKAWFAROELOLRK-HXUWFJFHSA-N -1 1 363.457 4.078 20 0 FIADMM Cc1c(CNC(=O)C(=O)c2ccc([O-])cc2)sc2ccc(Cl)cc12 ZINC000436635430 1099164188 /nfs/dbraw/zinc/16/41/88/1099164188.db2.gz QFWVZTWOUWMEAF-UHFFFAOYSA-N -1 1 359.834 4.068 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sc3cc(F)ccc3c2C)c1 ZINC000436637991 1099165851 /nfs/dbraw/zinc/16/58/51/1099165851.db2.gz BLUBFHPHKCSOOG-UHFFFAOYSA-N -1 1 359.378 4.093 20 0 FIADMM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436672003 1099202021 /nfs/dbraw/zinc/20/20/21/1099202021.db2.gz KZQYNTOSABUFDC-UHFFFAOYSA-N -1 1 366.244 4.319 20 0 FIADMM CCC(=O)c1ccc([O-])c(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1 ZINC000436659363 1099206611 /nfs/dbraw/zinc/20/66/11/1099206611.db2.gz QTQCFLCYJHSNRB-UHFFFAOYSA-N -1 1 369.808 4.281 20 0 FIADMM O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436685022 1099217735 /nfs/dbraw/zinc/21/77/35/1099217735.db2.gz AATCECNKTODFLI-KRWDZBQOSA-N -1 1 371.845 4.196 20 0 FIADMM CCSc1cccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436701998 1099235093 /nfs/dbraw/zinc/23/50/93/1099235093.db2.gz COGBKJWXPSIIEA-UHFFFAOYSA-N -1 1 351.855 4.096 20 0 FIADMM C[C@H](CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436735626 1099256986 /nfs/dbraw/zinc/25/69/86/1099256986.db2.gz GWTBQKYFJITDHB-SJORKVTESA-N -1 1 363.457 4.172 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000436737851 1099258140 /nfs/dbraw/zinc/25/81/40/1099258140.db2.gz JYVLBFSVUZMORI-UHFFFAOYSA-N -1 1 374.362 4.412 20 0 FIADMM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436742374 1099263752 /nfs/dbraw/zinc/26/37/52/1099263752.db2.gz VJAXAXXOUKQKNH-HNNXBMFYSA-N -1 1 354.233 4.159 20 0 FIADMM O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccc([O-])cc1F ZINC000436727392 1099265860 /nfs/dbraw/zinc/26/58/60/1099265860.db2.gz ZEMIRZNXSAEZQM-UHFFFAOYSA-N -1 1 362.813 4.238 20 0 FIADMM CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436729723 1099268199 /nfs/dbraw/zinc/26/81/99/1099268199.db2.gz BTHVGJSMQAEELQ-UHFFFAOYSA-N -1 1 363.417 4.248 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000533645775 1099269775 /nfs/dbraw/zinc/26/97/75/1099269775.db2.gz IHKSFVZOIRBOES-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436731968 1099270327 /nfs/dbraw/zinc/27/03/27/1099270327.db2.gz RRNMUODBURLLRB-ZCFIWIBFSA-N -1 1 350.749 4.012 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000436760123 1099273397 /nfs/dbraw/zinc/27/33/97/1099273397.db2.gz MJSUWCRRFBMHNT-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM CCn1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436759080 1099273740 /nfs/dbraw/zinc/27/37/40/1099273740.db2.gz RTHNZTNVDJSKMM-UHFFFAOYSA-N -1 1 358.401 4.076 20 0 FIADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])[C@@H]1c1cccs1 ZINC000436747082 1099278736 /nfs/dbraw/zinc/27/87/36/1099278736.db2.gz JSBFXIKPRSWEPO-CQSZACIVSA-N -1 1 366.280 4.440 20 0 FIADMM COc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1C ZINC000436762767 1099279900 /nfs/dbraw/zinc/27/99/00/1099279900.db2.gz HAJSHHOJYPUDOH-UHFFFAOYSA-N -1 1 353.340 4.000 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(OCC2CCCC2)CC1 ZINC000436750239 1099284854 /nfs/dbraw/zinc/28/48/54/1099284854.db2.gz FKBCDUQMKWUCGL-UHFFFAOYSA-N -1 1 371.399 4.222 20 0 FIADMM Cc1csc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C2CC2)n1 ZINC000436751142 1099285180 /nfs/dbraw/zinc/28/51/80/1099285180.db2.gz JGOUNCHTBIAKSQ-ZDUSSCGKSA-N -1 1 356.369 4.057 20 0 FIADMM Cc1csc([C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C2CC2)n1 ZINC000436751141 1099285464 /nfs/dbraw/zinc/28/54/64/1099285464.db2.gz JGOUNCHTBIAKSQ-CYBMUJFWSA-N -1 1 356.369 4.057 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000436751285 1099286781 /nfs/dbraw/zinc/28/67/81/1099286781.db2.gz JUNKCWIVEHHQIH-UHFFFAOYSA-N -1 1 371.305 4.004 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000436815892 1099328604 /nfs/dbraw/zinc/32/86/04/1099328604.db2.gz MWJGLZUNDIKSDH-FQEVSTJZSA-N -1 1 367.832 4.413 20 0 FIADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069651521 1099334205 /nfs/dbraw/zinc/33/42/05/1099334205.db2.gz IWPCVJVMNGLIJY-VQIMIIECSA-N -1 1 361.445 4.134 20 0 FIADMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436831948 1099342082 /nfs/dbraw/zinc/34/20/82/1099342082.db2.gz HZGNDIYTRVTJFC-JTQLQIEISA-N -1 1 352.217 4.101 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000436844412 1099363287 /nfs/dbraw/zinc/36/32/87/1099363287.db2.gz FTRYTUATFITMIQ-CQSZACIVSA-N -1 1 351.830 4.192 20 0 FIADMM CC1(c2nc3ccccc3s2)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436845449 1099366335 /nfs/dbraw/zinc/36/63/35/1099366335.db2.gz SKSCXVYBJJKTSQ-UHFFFAOYSA-N -1 1 370.449 4.335 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1noc(-c2ccccc2)n1 ZINC000436861861 1099372842 /nfs/dbraw/zinc/37/28/42/1099372842.db2.gz COQPRXUKPUKWCJ-ZDUSSCGKSA-N -1 1 359.385 4.086 20 0 FIADMM CCOc1cc(-c2noc(C[C@H](C)CC)n2)cc(Br)c1[O-] ZINC000436871707 1099383346 /nfs/dbraw/zinc/38/33/46/1099383346.db2.gz KORMQUMARVPQSW-SECBINFHSA-N -1 1 355.232 4.192 20 0 FIADMM CCOc1cc(-c2noc(C[C@H]3CCC[C@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436874604 1099387385 /nfs/dbraw/zinc/38/73/85/1099387385.db2.gz AILBONKRCWRTGA-AAEUAGOBSA-N -1 1 366.845 4.242 20 0 FIADMM NC(=O)c1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cc1 ZINC000436894932 1099392989 /nfs/dbraw/zinc/39/29/89/1099392989.db2.gz SKKHFIJUPVHLCP-UHFFFAOYSA-N -1 1 373.368 4.000 20 0 FIADMM CC(C)Oc1ccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436877986 1099393798 /nfs/dbraw/zinc/39/37/98/1099393798.db2.gz AOQSHKLZBBEMMF-UHFFFAOYSA-N -1 1 353.340 4.475 20 0 FIADMM COc1cccc(C2(c3noc(-c4cc(Cl)c([O-])c(OC)c4)n3)CC2)c1 ZINC000436883726 1099400672 /nfs/dbraw/zinc/40/06/72/1099400672.db2.gz BVBGKJNYPUBQEM-UHFFFAOYSA-N -1 1 372.808 4.193 20 0 FIADMM O=C1CCCN1c1cccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c1 ZINC000436902659 1099412957 /nfs/dbraw/zinc/41/29/57/1099412957.db2.gz QWCYBYATTGSAEK-UHFFFAOYSA-N -1 1 371.396 4.389 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c([O-])c1 ZINC000436911890 1099419597 /nfs/dbraw/zinc/41/95/97/1099419597.db2.gz BKWLSXBRXUFBGZ-UHFFFAOYSA-N -1 1 356.397 4.034 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000436899351 1099425202 /nfs/dbraw/zinc/42/52/02/1099425202.db2.gz CPBUICRCMSPDJK-XAVKZTDYSA-N -1 1 372.262 4.473 20 0 FIADMM CC(C)(CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436921596 1099436820 /nfs/dbraw/zinc/43/68/20/1099436820.db2.gz WFGXNQYDSJPGFE-UHFFFAOYSA-N -1 1 370.840 4.137 20 0 FIADMM CC(C)(CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1 ZINC000436921596 1099436822 /nfs/dbraw/zinc/43/68/22/1099436822.db2.gz WFGXNQYDSJPGFE-UHFFFAOYSA-N -1 1 370.840 4.137 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000629379025 1099448574 /nfs/dbraw/zinc/44/85/74/1099448574.db2.gz WJYHKLJVNVKRAK-RRFJBIMHSA-N -1 1 372.690 4.178 20 0 FIADMM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc2ccccc2c1[O-] ZINC000436941085 1099452294 /nfs/dbraw/zinc/45/22/94/1099452294.db2.gz ONQYLCVGRRITIH-YLJYHZDGSA-N -1 1 365.404 4.335 20 0 FIADMM O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1ccc([O-])cc1F ZINC000436943093 1099454783 /nfs/dbraw/zinc/45/47/83/1099454783.db2.gz YJBROUWPKZZFKO-UHFFFAOYSA-N -1 1 368.389 4.331 20 0 FIADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436952591 1099469606 /nfs/dbraw/zinc/46/96/06/1099469606.db2.gz XDNPCEVWSODBSD-IBGZPJMESA-N -1 1 374.278 4.349 20 0 FIADMM COc1cc(-c2noc(C3(F)CCCCC3)n2)cc(Br)c1[O-] ZINC000436955334 1099472231 /nfs/dbraw/zinc/47/22/31/1099472231.db2.gz DRMNZHLOJHACTA-UHFFFAOYSA-N -1 1 371.206 4.342 20 0 FIADMM CCN1C(=O)CCc2cc(NC(=O)c3ccc(C(C)C)cc3[O-])ccc21 ZINC000436957818 1099474140 /nfs/dbraw/zinc/47/41/40/1099474140.db2.gz AOYQGWLVZWACOM-UHFFFAOYSA-N -1 1 352.434 4.067 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3CCN(c4ccccc4F)C3)n2)c(Cl)c1 ZINC000436955455 1099474520 /nfs/dbraw/zinc/47/45/20/1099474520.db2.gz FZOYNYHZMMWCTQ-NSHDSACASA-N -1 1 359.788 4.229 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436980723 1099488200 /nfs/dbraw/zinc/48/82/00/1099488200.db2.gz ORQYUQYBNBMBCE-UONOGXRCSA-N -1 1 374.278 4.481 20 0 FIADMM CCOc1c(Cl)cc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1OC ZINC000436997126 1099499818 /nfs/dbraw/zinc/49/98/18/1099499818.db2.gz FNOZIFNBPCHJRO-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000437008049 1099511700 /nfs/dbraw/zinc/51/17/00/1099511700.db2.gz ZHPIBGWVUFVLHW-SNVBAGLBSA-N -1 1 352.217 4.101 20 0 FIADMM C[C@H](CC(=O)[O-])N(C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000516492470 1099523671 /nfs/dbraw/zinc/52/36/71/1099523671.db2.gz KRZBBLUKQDILAP-SNVBAGLBSA-N -1 1 358.385 4.124 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1coc(-c2ccccc2)n1 ZINC000152513675 1099598153 /nfs/dbraw/zinc/59/81/53/1099598153.db2.gz XDHNWGJCOVMLBH-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1 ZINC000437308551 1099801395 /nfs/dbraw/zinc/80/13/95/1099801395.db2.gz PVODFIKNRFJNFB-UHFFFAOYSA-N -1 1 358.488 4.374 20 0 FIADMM CC(C)(C)c1ccc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000516818458 1099828781 /nfs/dbraw/zinc/82/87/81/1099828781.db2.gz UOGKPJGGHJZXGY-UHFFFAOYSA-N -1 1 352.406 4.392 20 0 FIADMM O=C(CCCC1CCCC1)N1CCC[C@@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000080208868 1099995684 /nfs/dbraw/zinc/99/56/84/1099995684.db2.gz MQBYMVKEPHLELG-OAHLLOKOSA-N -1 1 362.543 4.342 20 0 FIADMM C[C@H]1[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCN1c1ccccc1 ZINC000517057393 1100006998 /nfs/dbraw/zinc/00/69/98/1100006998.db2.gz PRMXDDIQZQERSQ-WFASDCNBSA-N -1 1 355.825 4.478 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(COC)cc3)n2)cc(Cl)c1[O-] ZINC000445405028 1100035891 /nfs/dbraw/zinc/03/58/91/1100035891.db2.gz DQRBBLYRUJZKIY-UHFFFAOYSA-N -1 1 360.797 4.308 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2ccc(OCc3cccnc3)cc2)n1 ZINC000428698281 1100055532 /nfs/dbraw/zinc/05/55/32/1100055532.db2.gz GCKAEORPFPVUNP-UHFFFAOYSA-N -1 1 353.447 4.011 20 0 FIADMM CSc1nc(C2CC2)nc(C)c1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000517202002 1100177624 /nfs/dbraw/zinc/17/76/24/1100177624.db2.gz MDOBFNNRZNNINO-UHFFFAOYSA-N -1 1 374.853 4.460 20 0 FIADMM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000438156261 1100460586 /nfs/dbraw/zinc/46/05/86/1100460586.db2.gz ORCYVKUWSPSMOV-VIFPVBQESA-N -1 1 359.731 4.470 20 0 FIADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1Br ZINC000438156754 1100461834 /nfs/dbraw/zinc/46/18/34/1100461834.db2.gz PDVNRBSNRPSPIU-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc21 ZINC000425980289 1100602171 /nfs/dbraw/zinc/60/21/71/1100602171.db2.gz KMUQZEHHMDJZDB-UHFFFAOYSA-N -1 1 370.257 4.313 20 0 FIADMM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000426083500 1100794472 /nfs/dbraw/zinc/79/44/72/1100794472.db2.gz GXJMJWPVKJTOFB-IBGZPJMESA-N -1 1 370.355 4.054 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000438721834 1100883373 /nfs/dbraw/zinc/88/33/73/1100883373.db2.gz GFVWNVRRBRNKHQ-UHFFFAOYSA-N -1 1 373.396 4.351 20 0 FIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc2c(c1)CCCC2 ZINC000438763664 1100909697 /nfs/dbraw/zinc/90/96/97/1100909697.db2.gz BOKUDGKUFGPILL-UHFFFAOYSA-N -1 1 369.408 4.471 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000439072811 1101125053 /nfs/dbraw/zinc/12/50/53/1101125053.db2.gz RYBMPUJTNBCKBF-PGRDOPGGSA-N -1 1 359.429 4.015 20 0 FIADMM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000439065412 1101130656 /nfs/dbraw/zinc/13/06/56/1101130656.db2.gz BKETVPSXJIUDLW-ZDUSSCGKSA-N -1 1 353.397 4.129 20 0 FIADMM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000439066348 1101132342 /nfs/dbraw/zinc/13/23/42/1101132342.db2.gz DRYZBFQMPQVZKW-ZDUSSCGKSA-N -1 1 353.397 4.129 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CCSc4ccccc43)[nH][n-]2)s1 ZINC000439142599 1101197733 /nfs/dbraw/zinc/19/77/33/1101197733.db2.gz PLDXXEPENCUICY-CYBMUJFWSA-N -1 1 355.488 4.087 20 0 FIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2nnc(-c3ccsc3)s2)s1 ZINC000439216058 1101256965 /nfs/dbraw/zinc/25/69/65/1101256965.db2.gz OEDWDWLMTABWDA-MRVPVSSYSA-N -1 1 366.493 4.073 20 0 FIADMM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]OCC(F)F)cc1 ZINC000760160081 1101475522 /nfs/dbraw/zinc/47/55/22/1101475522.db2.gz MMJXRICZNXOYTQ-UHFFFAOYSA-N -1 1 374.387 4.089 20 0 FIADMM O=S(=O)([N-]c1ccc(OCc2ccccc2F)cc1)c1ccsc1 ZINC000506600951 1101511097 /nfs/dbraw/zinc/51/10/97/1101511097.db2.gz IOPVOEXBYNVAHH-UHFFFAOYSA-N -1 1 363.435 4.267 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1Cl ZINC000537197221 1101532797 /nfs/dbraw/zinc/53/27/97/1101532797.db2.gz RCSIBIJMKIVRMZ-UHFFFAOYSA-N -1 1 357.884 4.180 20 0 FIADMM CCC[C@H]1CCc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2C1 ZINC000537246202 1101583670 /nfs/dbraw/zinc/58/36/70/1101583670.db2.gz CQWULEPORARIHG-VIFPVBQESA-N -1 1 352.406 4.284 20 0 FIADMM O=C(Cc1ccc2ccccc2c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315287 1101636910 /nfs/dbraw/zinc/63/69/10/1101636910.db2.gz HVRDBJLGENAWOJ-UHFFFAOYSA-N -1 1 373.452 4.209 20 0 FIADMM CC[C@@H](C)c1ccc(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000518841175 1101648658 /nfs/dbraw/zinc/64/86/58/1101648658.db2.gz KAYWYSIKQPUFKX-SNVBAGLBSA-N -1 1 367.421 4.364 20 0 FIADMM COc1cc(C(=O)NCCc2cccc3ccccc32)cc(Cl)c1[O-] ZINC000460203763 1101706582 /nfs/dbraw/zinc/70/65/82/1101706582.db2.gz DQNYUNYAGQLICI-UHFFFAOYSA-N -1 1 355.821 4.180 20 0 FIADMM CC(C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC001625957998 1101709553 /nfs/dbraw/zinc/70/95/53/1101709553.db2.gz MXARHTIGFAACOG-IBGZPJMESA-N -1 1 353.462 4.386 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000460211982 1101743730 /nfs/dbraw/zinc/74/37/30/1101743730.db2.gz ORFXHPOUADNTKV-WMLDXEAASA-N -1 1 359.853 4.195 20 0 FIADMM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000537414327 1101759065 /nfs/dbraw/zinc/75/90/65/1101759065.db2.gz JMTISVAANWZHDH-SMDDNHRTSA-N -1 1 359.495 4.432 20 0 FIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000032064845 1101879811 /nfs/dbraw/zinc/87/98/11/1101879811.db2.gz NKJTVGIMIXUSSF-MRXNPFEDSA-N -1 1 374.506 4.056 20 0 FIADMM COc1cc(C(=O)NCc2cccc(Cl)c2Cl)cc(Cl)c1[O-] ZINC000527198338 1101893068 /nfs/dbraw/zinc/89/30/68/1101893068.db2.gz ZUFWQVHAWXOZNL-UHFFFAOYSA-N -1 1 360.624 4.291 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000393103129 1101969120 /nfs/dbraw/zinc/96/91/20/1101969120.db2.gz PHEUOMDIJUDUTK-UHFFFAOYSA-N -1 1 370.499 4.483 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000475826591 1102001171 /nfs/dbraw/zinc/00/11/71/1102001171.db2.gz NJIATPCYIZNTEL-UHFFFAOYSA-N -1 1 359.781 4.012 20 0 FIADMM O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccccc2cc1O ZINC000036684478 1102030415 /nfs/dbraw/zinc/03/04/15/1102030415.db2.gz KZQFOJSDWYWANM-IBGZPJMESA-N -1 1 364.445 4.095 20 0 FIADMM COc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)c1 ZINC000032585486 1102040021 /nfs/dbraw/zinc/04/00/21/1102040021.db2.gz KLFRVCDVLCUTHN-UHFFFAOYSA-N -1 1 371.458 4.436 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(-c2ccccc2)ns1 ZINC000440124143 1102045779 /nfs/dbraw/zinc/04/57/79/1102045779.db2.gz ZJTJGBNZHGQEOC-UHFFFAOYSA-N -1 1 362.414 4.158 20 0 FIADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cc(Cl)c(Cl)cn1 ZINC000476217621 1102053987 /nfs/dbraw/zinc/05/39/87/1102053987.db2.gz MJRYACBVNWLBHR-UHFFFAOYSA-N -1 1 369.632 4.123 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000506802503 1102135968 /nfs/dbraw/zinc/13/59/68/1102135968.db2.gz URRZJECTBRTFLS-UHFFFAOYSA-N -1 1 359.369 4.295 20 0 FIADMM O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1cc(F)cc(F)c1 ZINC000440315928 1102190592 /nfs/dbraw/zinc/19/05/92/1102190592.db2.gz UMFICUWBLSPGJD-UHFFFAOYSA-N -1 1 365.323 4.261 20 0 FIADMM CC[C@H](C)[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000426647023 1102242888 /nfs/dbraw/zinc/24/28/88/1102242888.db2.gz LUEDHTPHYVJCPW-ZBEGNZNMSA-N -1 1 366.255 4.298 20 0 FIADMM CC[C@@H](c1nnc([N-]C(=O)c2ncoc2C2CC2)s1)c1ccccc1 ZINC000550809826 1102356983 /nfs/dbraw/zinc/35/69/83/1102356983.db2.gz IWJRTXPXESDDHE-CYBMUJFWSA-N -1 1 354.435 4.198 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(Cl)cc1F ZINC000121434227 1102393699 /nfs/dbraw/zinc/39/36/99/1102393699.db2.gz RKVMNGIVMRMLQR-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM O=S(=O)([N-]CCc1cccs1)c1c(Cl)cc(Cl)cc1Cl ZINC000048665318 1102419474 /nfs/dbraw/zinc/41/94/74/1102419474.db2.gz HTYCJWZGQDBWKA-UHFFFAOYSA-N -1 1 370.710 4.229 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506846638 1102434259 /nfs/dbraw/zinc/43/42/59/1102434259.db2.gz JYZXGUXGOPADNY-UHFFFAOYSA-N -1 1 363.389 4.124 20 0 FIADMM CC1(C)CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000532523785 1102443508 /nfs/dbraw/zinc/44/35/08/1102443508.db2.gz IWLOKRFMKGNQET-UHFFFAOYSA-N -1 1 371.481 4.413 20 0 FIADMM CCc1c([N-]C(=O)c2cc(-c3ccccc3)no2)onc1C(F)(F)F ZINC000476701877 1102717057 /nfs/dbraw/zinc/71/70/57/1102717057.db2.gz UCDWCKXZTGKZRC-UHFFFAOYSA-N -1 1 351.284 4.163 20 0 FIADMM Oc1cccc(C[NH+]2CCC(OC3CCCCC3)CC2)c1Br ZINC000459321337 1102798598 /nfs/dbraw/zinc/79/85/98/1102798598.db2.gz GPVOHTCJKNKLGZ-UHFFFAOYSA-N -1 1 368.315 4.468 20 0 FIADMM COCc1c(C(=O)[N-]c2nc(SC)ns2)sc2cccc(F)c21 ZINC000123186803 1102849420 /nfs/dbraw/zinc/84/94/20/1102849420.db2.gz PPYXMXFLONCSEO-UHFFFAOYSA-N -1 1 369.468 4.013 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(-c2ccncc2)cc1F)c1ccsc1 ZINC000426684809 1102919430 /nfs/dbraw/zinc/91/94/30/1102919430.db2.gz CBSZQEGQBWSUHU-SFHVURJKSA-N -1 1 356.422 4.255 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc(F)c(F)c(F)c1F ZINC000152485803 1102949577 /nfs/dbraw/zinc/94/95/77/1102949577.db2.gz TYRKSBKNTGFMME-ONEGZZNKSA-N -1 1 369.299 4.110 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000134678260 1102961233 /nfs/dbraw/zinc/96/12/33/1102961233.db2.gz CRWHSLNANLIQBN-UHFFFAOYSA-N -1 1 370.430 4.044 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Br)ccc1F)c1ccccc1 ZINC000426748148 1102964727 /nfs/dbraw/zinc/96/47/27/1102964727.db2.gz VFQJKCOKJSBDEM-BDJLRTHQSA-N -1 1 366.230 4.140 20 0 FIADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1O ZINC000426750604 1102967170 /nfs/dbraw/zinc/96/71/70/1102967170.db2.gz OPHPZVGLCFEPAF-AWEZNQCLSA-N -1 1 370.232 4.013 20 0 FIADMM Cc1cc(C)cc([C@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000426752408 1102969165 /nfs/dbraw/zinc/96/91/65/1102969165.db2.gz CSNBAKDFNJNHFF-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000614844328 1102969530 /nfs/dbraw/zinc/96/95/30/1102969530.db2.gz OYHXVYBYOZEKKE-UHFFFAOYSA-N -1 1 372.490 4.105 20 0 FIADMM CC1(C)Cc2cccc(CN[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)c2O1 ZINC000426756888 1102971694 /nfs/dbraw/zinc/97/16/94/1102971694.db2.gz MSARPJYYMAFMTM-INIZCTEOSA-N -1 1 363.816 4.108 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(C(F)(F)F)ccc2F)c1 ZINC000426761962 1102974299 /nfs/dbraw/zinc/97/42/99/1102974299.db2.gz FWYBHHCDFRLOQY-INIZCTEOSA-N -1 1 371.330 4.159 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1Cl)c1ccc(F)cc1 ZINC000426773875 1102979029 /nfs/dbraw/zinc/97/90/29/1102979029.db2.gz LQZGNCPKKCXRRU-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2Cl)c1 ZINC000426775290 1102979782 /nfs/dbraw/zinc/97/97/82/1102979782.db2.gz ZEZWYGDKKOGQGG-INIZCTEOSA-N -1 1 354.233 4.308 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000614855686 1102981792 /nfs/dbraw/zinc/98/17/92/1102981792.db2.gz YYOOLWOIEHGQFV-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000426790059 1102991530 /nfs/dbraw/zinc/99/15/30/1102991530.db2.gz AAWUDKAWIIBDIE-LBPRGKRZSA-N -1 1 359.756 4.148 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Oc3ccccc3)o2)c1 ZINC000426793137 1102993974 /nfs/dbraw/zinc/99/39/74/1102993974.db2.gz PFKHEWCHKFTPOE-IBGZPJMESA-N -1 1 367.401 4.386 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Br)ccc1Cl)c1cccc(F)c1 ZINC000426801280 1102999681 /nfs/dbraw/zinc/99/96/81/1102999681.db2.gz QMJKRAJKXSXVTG-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1F)c1ccc(Br)cc1 ZINC000426804025 1103003136 /nfs/dbraw/zinc/00/31/36/1103003136.db2.gz RIKHFUSAXLASRM-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1Cl)c1ccsc1 ZINC000426829422 1103004529 /nfs/dbraw/zinc/00/45/29/1103004529.db2.gz PDBUTNRIQDUPHM-LBPRGKRZSA-N -1 1 360.660 4.080 20 0 FIADMM O=S(=O)([N-]Cc1cc2ccccc2s1)c1cc(Cl)cnc1Cl ZINC001211968264 1103008316 /nfs/dbraw/zinc/00/83/16/1103008316.db2.gz HJMXRDALMLYJEQ-UHFFFAOYSA-N -1 1 373.286 4.082 20 0 FIADMM CCN(C(=O)c1ncccc1[O-])[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000426820502 1103015386 /nfs/dbraw/zinc/01/53/86/1103015386.db2.gz ZIGYNGLFHYAINI-LJQANCHMSA-N -1 1 367.836 4.087 20 0 FIADMM O=S(=O)([N-]c1cccc(OCc2cccc(F)c2)c1)c1ccccc1 ZINC000614865781 1103140786 /nfs/dbraw/zinc/14/07/86/1103140786.db2.gz PUFWPYVHYFCQJB-UHFFFAOYSA-N -1 1 357.406 4.206 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)cc2[nH]1 ZINC000551384626 1103156977 /nfs/dbraw/zinc/15/69/77/1103156977.db2.gz ZRPHJIJGYKGRSD-UHFFFAOYSA-N -1 1 374.224 4.118 20 0 FIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1C ZINC000427120574 1103272457 /nfs/dbraw/zinc/27/24/57/1103272457.db2.gz CUMRYJCINDZEBC-UHFFFAOYSA-N -1 1 362.476 4.031 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C1CC1)c1cccc(F)c1F ZINC000507499099 1103429289 /nfs/dbraw/zinc/42/92/89/1103429289.db2.gz RZSPJSMHARRLNA-MRXNPFEDSA-N -1 1 357.809 4.048 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1C ZINC000427308565 1103432905 /nfs/dbraw/zinc/43/29/05/1103432905.db2.gz OJULEXWYTXXEOQ-UHFFFAOYSA-N -1 1 362.476 4.031 20 0 FIADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000551660521 1103475074 /nfs/dbraw/zinc/47/50/74/1103475074.db2.gz KZKFPLSHVFHZIK-DNVCBOLYSA-N -1 1 370.474 4.028 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507586107 1103513736 /nfs/dbraw/zinc/51/37/36/1103513736.db2.gz UADFFQLIKVGBGW-UHFFFAOYSA-N -1 1 354.403 4.343 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3C)ccc2C)n1 ZINC000477440804 1103517731 /nfs/dbraw/zinc/51/77/31/1103517731.db2.gz FSSQZDUHKMUFAW-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1OC ZINC000084460602 1103598934 /nfs/dbraw/zinc/59/89/34/1103598934.db2.gz RSEMYXDZCPCGMG-UHFFFAOYSA-N -1 1 357.431 4.048 20 0 FIADMM COc1ccc2nc(C)cc(-c3nc(-c4ccc([O-])cc4F)no3)c2c1 ZINC000445455361 1103900671 /nfs/dbraw/zinc/90/06/71/1103900671.db2.gz DDEZJJKENWJDLD-UHFFFAOYSA-N -1 1 351.337 4.114 20 0 FIADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1F ZINC000565970386 1103903117 /nfs/dbraw/zinc/90/31/17/1103903117.db2.gz AHDXYKPHLGCKPT-UHFFFAOYSA-N -1 1 365.373 4.425 20 0 FIADMM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000440779210 1103943195 /nfs/dbraw/zinc/94/31/95/1103943195.db2.gz CSEAYJSHCQMJIG-SECBINFHSA-N -1 1 370.630 4.214 20 0 FIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c2C1 ZINC000461110857 1104105603 /nfs/dbraw/zinc/10/56/03/1104105603.db2.gz XFTDBJPHJWXUEZ-UHFFFAOYSA-N -1 1 362.470 4.051 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000188393257 1104328995 /nfs/dbraw/zinc/32/89/95/1104328995.db2.gz PWWOTHXZMXOBTN-UHFFFAOYSA-N -1 1 351.493 4.134 20 0 FIADMM CCCCOc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C)c1 ZINC000843771311 1104505683 /nfs/dbraw/zinc/50/56/83/1104505683.db2.gz GHKNLBCQPDSNLC-UHFFFAOYSA-N -1 1 357.454 4.354 20 0 FIADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)cc1 ZINC000331145534 1104704400 /nfs/dbraw/zinc/70/44/00/1104704400.db2.gz IBGYOVPHVNFZNU-PBHICJAKSA-N -1 1 367.493 4.115 20 0 FIADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2Br)C1 ZINC000126816351 1104947385 /nfs/dbraw/zinc/94/73/85/1104947385.db2.gz IGIUWQMLXRAYKN-HNNXBMFYSA-N -1 1 360.679 4.179 20 0 FIADMM CC(C)(C)c1nnsc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000191408961 1104988538 /nfs/dbraw/zinc/98/85/38/1104988538.db2.gz YGLIRAXUMJRLBP-UHFFFAOYSA-N -1 1 365.528 4.062 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000193274786 1105071933 /nfs/dbraw/zinc/07/19/33/1105071933.db2.gz XRFAMRGIOBVMEE-MNOVXSKESA-N -1 1 365.779 4.295 20 0 FIADMM Cc1csc([C@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)C2CC2)n1 ZINC001126524849 1105215462 /nfs/dbraw/zinc/21/54/62/1105215462.db2.gz SRJXBTITMDISOA-CYBMUJFWSA-N -1 1 358.360 4.089 20 0 FIADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc(-c3ccccc3)c1)OCO2 ZINC000507884591 1105262557 /nfs/dbraw/zinc/26/25/57/1105262557.db2.gz AFBYOAJBYZDNST-UHFFFAOYSA-N -1 1 367.426 4.192 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000508100338 1105324534 /nfs/dbraw/zinc/32/45/34/1105324534.db2.gz KRTHFYPHXKMGLV-SIJIIQCFSA-N -1 1 372.262 4.473 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)CCCC(F)(F)F)cc(Cl)c1[O-] ZINC000427971336 1105332449 /nfs/dbraw/zinc/33/24/49/1105332449.db2.gz LYGSTDKTBBACRL-SECBINFHSA-N -1 1 353.768 4.295 20 0 FIADMM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000428041510 1105346177 /nfs/dbraw/zinc/34/61/77/1105346177.db2.gz QINAWPJQCSWQLT-ZDUSSCGKSA-N -1 1 351.406 4.212 20 0 FIADMM O=c1cc(C(F)(F)F)nc(CNc2ccc(Cl)c(OC(F)F)c2)[n-]1 ZINC000182618945 1106757041 /nfs/dbraw/zinc/75/70/41/1106757041.db2.gz HQEGSGXCFUZEMR-UHFFFAOYSA-N -1 1 369.677 4.068 20 0 FIADMM Cc1nc(-c2ccc(NCCc3ccc(Cl)s3)nc2)[n-]c(=O)c1C ZINC000301328757 1106992832 /nfs/dbraw/zinc/99/28/32/1106992832.db2.gz ALUHEAPNHYQFTQ-UHFFFAOYSA-N -1 1 360.870 4.231 20 0 FIADMM Cc1nc(-c2ccc(NCCCSc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301338760 1106997200 /nfs/dbraw/zinc/99/72/00/1106997200.db2.gz DVWYZDQNYMUWHK-UHFFFAOYSA-N -1 1 366.490 4.455 20 0 FIADMM Cc1nc(-c2ccc(NC[C@H]3CCCc4ccccc43)nc2)[n-]c(=O)c1C ZINC000301356522 1107002783 /nfs/dbraw/zinc/00/27/83/1107002783.db2.gz KOKSPBCMXLHKSG-QGZVFWFLSA-N -1 1 360.461 4.393 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@]4(CC=CCC4)C3)nc2)[n-]c(=O)c1C ZINC000301400688 1107018922 /nfs/dbraw/zinc/01/89/22/1107018922.db2.gz PZOKQSZPWWQKNQ-NRFANRHFSA-N -1 1 350.466 4.188 20 0 FIADMM Cc1nc(-c2ccc(NC[C@@H]3CCCO[C@H]3C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000301410829 1107021949 /nfs/dbraw/zinc/02/19/49/1107021949.db2.gz YCJTVSIKOZWUNU-MAUKXSAKSA-N -1 1 370.497 4.114 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCOC4(CCCCC4)C3)nc2)[n-]c(=O)c1C ZINC000301703699 1107117064 /nfs/dbraw/zinc/11/70/64/1107117064.db2.gz RBUIZPAGFWIZDF-QGZVFWFLSA-N -1 1 368.481 4.155 20 0 FIADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000530770817 1107309779 /nfs/dbraw/zinc/30/97/79/1107309779.db2.gz IXAZSQNDDQCTBI-WCQYABFASA-N -1 1 361.385 4.080 20 0 FIADMM COCCC1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCCCC1 ZINC000302388745 1107362743 /nfs/dbraw/zinc/36/27/43/1107362743.db2.gz FLHCBGFOTJYORS-UHFFFAOYSA-N -1 1 370.497 4.260 20 0 FIADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c2)n1 ZINC000614793134 1107795411 /nfs/dbraw/zinc/79/54/11/1107795411.db2.gz JFMOVDJTDGIHTG-UHFFFAOYSA-N -1 1 369.490 4.413 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000614803162 1107884371 /nfs/dbraw/zinc/88/43/71/1107884371.db2.gz YLTSBTTXCPWGNQ-UHFFFAOYSA-N -1 1 362.476 4.132 20 0 FIADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)no1 ZINC000152000730 1107964452 /nfs/dbraw/zinc/96/44/52/1107964452.db2.gz ZSFDCUSSSRCDNK-UHFFFAOYSA-N -1 1 374.491 4.368 20 0 FIADMM CCOc1cc(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)cc(Cl)c1[O-] ZINC000444561064 1107989722 /nfs/dbraw/zinc/98/97/22/1107989722.db2.gz YVOUVCADVFBXFQ-AMIZOPFISA-N -1 1 353.768 4.151 20 0 FIADMM CCOc1cc(-c2noc(CCCC(=O)C(C)(C)C)n2)cc(Cl)c1[O-] ZINC000453166094 1108237890 /nfs/dbraw/zinc/23/78/90/1108237890.db2.gz QCBMFWJOTGZIQJ-UHFFFAOYSA-N -1 1 366.845 4.432 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000016097189 1108614763 /nfs/dbraw/zinc/61/47/63/1108614763.db2.gz NWGRQTAKSBAVHY-UHFFFAOYSA-N -1 1 363.438 4.261 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(F)c(OC)c3)n2)cc(Cl)c1[O-] ZINC000445411313 1108722640 /nfs/dbraw/zinc/72/26/40/1108722640.db2.gz NRXAQSYRGFJYHO-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(OC)c(F)c3)n2)cc(Cl)c1[O-] ZINC000445412415 1108722772 /nfs/dbraw/zinc/72/27/72/1108722772.db2.gz OIYOYABCUKJFQD-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM CCOc1cc(-c2noc([C@H]3COc4ccccc4C3)n2)cc(Cl)c1[O-] ZINC000445422800 1108734550 /nfs/dbraw/zinc/73/45/50/1108734550.db2.gz QMGXUTUAKBMBEG-CYBMUJFWSA-N -1 1 372.808 4.213 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000532267098 1108738691 /nfs/dbraw/zinc/73/86/91/1108738691.db2.gz BWMIUYOIWWHTRF-QWHCGFSZSA-N -1 1 350.187 4.036 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OC4CCOCC4)cc3)n2)c(Cl)c1 ZINC000445447934 1108749928 /nfs/dbraw/zinc/74/99/28/1108749928.db2.gz JGTYEJKXQYOOKH-UHFFFAOYSA-N -1 1 372.808 4.320 20 0 FIADMM COc1cccc(-c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)n[nH]2)c1 ZINC000445448226 1108750232 /nfs/dbraw/zinc/75/02/32/1108750232.db2.gz KJAZSCQVUVSUHC-UHFFFAOYSA-N -1 1 368.780 4.161 20 0 FIADMM C[C@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)C(=O)c1cccc(F)c1 ZINC000445448646 1108750730 /nfs/dbraw/zinc/75/07/30/1108750730.db2.gz SKMSCXYYNORDTR-SNVBAGLBSA-N -1 1 360.772 4.296 20 0 FIADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)c(OC)c1 ZINC000445450775 1108753035 /nfs/dbraw/zinc/75/30/35/1108753035.db2.gz WLAZVMKDVDJERP-XBXARRHUSA-N -1 1 358.781 4.283 20 0 FIADMM CCOc1ccc2c(c1)C[C@H](c1nc(-c3ccc([O-])cc3Cl)no1)CO2 ZINC000445450945 1108754322 /nfs/dbraw/zinc/75/43/22/1108754322.db2.gz YRAYQQHUQHORMD-LBPRGKRZSA-N -1 1 372.808 4.213 20 0 FIADMM [O-]c1ccc(-c2noc(CCOc3ccccc3Cl)n2)c(Cl)c1 ZINC000445443377 1108767877 /nfs/dbraw/zinc/76/78/77/1108767877.db2.gz CBILZYSESKPAKQ-UHFFFAOYSA-N -1 1 351.189 4.371 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OCC(F)(F)F)n3)n2)c(Cl)c1 ZINC000445445211 1108771315 /nfs/dbraw/zinc/77/13/15/1108771315.db2.gz IIDBIMBJUDTSMY-UHFFFAOYSA-N -1 1 371.702 4.099 20 0 FIADMM COCCn1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)c2ccccc21 ZINC000445446762 1108772653 /nfs/dbraw/zinc/77/26/53/1108772653.db2.gz PVILEPIFSVWGBB-UHFFFAOYSA-N -1 1 369.808 4.364 20 0 FIADMM [O-]c1ccc(-c2noc(CCCOc3ccc4c(c3)CCC4)n2)cc1F ZINC000445470913 1108781995 /nfs/dbraw/zinc/78/19/95/1108781995.db2.gz LTXSABXUCKARMZ-UHFFFAOYSA-N -1 1 354.381 4.082 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4ccccc4F)n3)n2)c(F)c1 ZINC000445455150 1108788948 /nfs/dbraw/zinc/78/89/48/1108788948.db2.gz JIIKGGMPLAGNEA-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCc4ccccn4)cc3)n2)c(F)c1 ZINC000445459778 1108793089 /nfs/dbraw/zinc/79/30/89/1108793089.db2.gz HHKRLKBQFMIUMH-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM [O-]c1ccc(-c2noc(COc3cccc(C(F)(F)F)c3)n2)c(F)c1 ZINC000445460657 1108793364 /nfs/dbraw/zinc/79/33/64/1108793364.db2.gz SLXSYFVWNLUVGU-UHFFFAOYSA-N -1 1 354.259 4.179 20 0 FIADMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)sc1Br ZINC000445459494 1108793532 /nfs/dbraw/zinc/79/35/32/1108793532.db2.gz BVPQLTPQSXZADU-UHFFFAOYSA-N -1 1 371.187 4.081 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(OCC4CC4)c(Cl)c3)n2)c(F)c1 ZINC000445461890 1108794216 /nfs/dbraw/zinc/79/42/16/1108794216.db2.gz IUWCESWTSLIKAK-UHFFFAOYSA-N -1 1 361.760 4.086 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1-c1cccc(C)c1 ZINC000445460518 1108794478 /nfs/dbraw/zinc/79/44/78/1108794478.db2.gz AZLKHQFYXDXLBE-UHFFFAOYSA-N -1 1 350.353 4.051 20 0 FIADMM [O-]c1ccc(-c2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)cc1F ZINC000445477159 1108797495 /nfs/dbraw/zinc/79/74/95/1108797495.db2.gz MBQFGLQWHYMMMK-UHFFFAOYSA-N -1 1 374.799 4.331 20 0 FIADMM [O-]c1ccc(-c2noc(CSc3ccc(C(F)(F)F)cn3)n2)cc1F ZINC000445479411 1108799358 /nfs/dbraw/zinc/79/93/58/1108799358.db2.gz HLWJXFFASJAWKJ-UHFFFAOYSA-N -1 1 371.315 4.287 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(Br)s1 ZINC000445482513 1108802612 /nfs/dbraw/zinc/80/26/12/1108802612.db2.gz QGQCUNGJHFYTJZ-UHFFFAOYSA-N -1 1 355.188 4.381 20 0 FIADMM CCOc1cc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)ccc1OC ZINC000445484144 1108803707 /nfs/dbraw/zinc/80/37/07/1108803707.db2.gz XPFOBZPJSUGUDF-WEVVVXLNSA-N -1 1 356.353 4.159 20 0 FIADMM COc1ccc(C(=O)CCCCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445483874 1108804639 /nfs/dbraw/zinc/80/46/39/1108804639.db2.gz XDZZYAXAJSKNPU-UHFFFAOYSA-N -1 1 370.380 4.186 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccn(-c4ccc(Cl)cc4)n3)n2)cc1F ZINC000445475059 1108813715 /nfs/dbraw/zinc/81/37/15/1108813715.db2.gz SMMSMWKAIFDDGI-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM Cc1ccc(-c2cnc(CCc3nc(-c4ccc([O-])c(F)c4)no3)o2)cc1 ZINC000445476381 1108815696 /nfs/dbraw/zinc/81/56/96/1108815696.db2.gz BSZNFYQGNYCSNC-UHFFFAOYSA-N -1 1 365.364 4.330 20 0 FIADMM CCOc1cc(-c2nc(-c3ncccc3SC)no2)cc(Cl)c1[O-] ZINC000445619120 1108919688 /nfs/dbraw/zinc/91/96/88/1108919688.db2.gz HGYOMMPQEPHLFX-UHFFFAOYSA-N -1 1 363.826 4.278 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114436312 1109036822 /nfs/dbraw/zinc/03/68/22/1109036822.db2.gz YJOIMOUTKMMCRD-SFHVURJKSA-N -1 1 374.535 4.018 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccc(C)cc3)o2)[n-]c1=O ZINC000193264288 1109354745 /nfs/dbraw/zinc/35/47/45/1109354745.db2.gz VNIZLNGOJPOGJI-SDNWHVSQSA-N -1 1 364.401 4.076 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2sc3ccccc3c2Cl)[n-]c1=O ZINC000193265359 1109362293 /nfs/dbraw/zinc/36/22/93/1109362293.db2.gz DACFBQWAKUIHKC-CSKARUKUSA-N -1 1 374.849 4.375 20 0 FIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1C ZINC000446950688 1109402192 /nfs/dbraw/zinc/40/21/92/1109402192.db2.gz PZFKDSJZFPVLQZ-UHFFFAOYSA-N -1 1 364.776 4.171 20 0 FIADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000447061283 1109427051 /nfs/dbraw/zinc/42/70/51/1109427051.db2.gz VVXQYKDPHZLWNZ-CYBMUJFWSA-N -1 1 362.267 4.166 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1C ZINC000447265141 1109490605 /nfs/dbraw/zinc/49/06/05/1109490605.db2.gz QFJKUZYSVAAVSJ-UHFFFAOYSA-N -1 1 373.396 4.218 20 0 FIADMM COc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc(Cl)c1[O-] ZINC000525953164 1109562946 /nfs/dbraw/zinc/56/29/46/1109562946.db2.gz ICGKQXFMGSRDJR-UHFFFAOYSA-N -1 1 368.820 4.292 20 0 FIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447783449 1109644800 /nfs/dbraw/zinc/64/48/00/1109644800.db2.gz QKCRDQISOGYJLM-UHFFFAOYSA-N -1 1 373.396 4.353 20 0 FIADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447786275 1109645672 /nfs/dbraw/zinc/64/56/72/1109645672.db2.gz LUFFTNDPCAJRRC-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CCOc1cc(-c2nc(C3Cc4ccccc4C3)no2)cc(Cl)c1[O-] ZINC000527197053 1109717015 /nfs/dbraw/zinc/71/70/15/1109717015.db2.gz DJISGXYVOJVPNQ-UHFFFAOYSA-N -1 1 356.809 4.377 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H](C)c3ccncc3)n2)cc(Cl)c1[O-] ZINC000528166458 1109923946 /nfs/dbraw/zinc/92/39/46/1109923946.db2.gz KXJPPTNUGPEIAN-LLVKDONJSA-N -1 1 359.813 4.236 20 0 FIADMM CC(C)(Cc1ccccc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000120300242 1110232167 /nfs/dbraw/zinc/23/21/67/1110232167.db2.gz IAQZHPJJOXZMFO-UHFFFAOYSA-N -1 1 365.473 4.082 20 0 FIADMM CC(C)c1nnc(CCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)o1 ZINC000529539016 1110284152 /nfs/dbraw/zinc/28/41/52/1110284152.db2.gz NPIZGKODUPRJJZ-UHFFFAOYSA-N -1 1 359.813 4.277 20 0 FIADMM CCn1nc(C)c(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1C ZINC000529538910 1110284370 /nfs/dbraw/zinc/28/43/70/1110284370.db2.gz NGHMVYZXDAWAEL-UHFFFAOYSA-N -1 1 357.841 4.213 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(C(F)(F)F)CCC2)c1 ZINC000450464680 1110301181 /nfs/dbraw/zinc/30/11/81/1110301181.db2.gz AWFLWYNTTDXEQO-UHFFFAOYSA-N -1 1 352.150 4.134 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCCc4c(F)cccc43)nc2)[n-]c(=O)c1C ZINC000450556886 1110313745 /nfs/dbraw/zinc/31/37/45/1110313745.db2.gz NAOHVNGHBZYMMU-SFHVURJKSA-N -1 1 364.424 4.490 20 0 FIADMM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000538318277 1111089209 /nfs/dbraw/zinc/08/92/09/1111089209.db2.gz ZGZRNTPXBJKXDF-ZDUSSCGKSA-N -1 1 363.404 4.209 20 0 FIADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000461223331 1111122996 /nfs/dbraw/zinc/12/29/96/1111122996.db2.gz WQARBSLTTHAVHJ-UHFFFAOYSA-N -1 1 364.776 4.004 20 0 FIADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538477935 1111151034 /nfs/dbraw/zinc/15/10/34/1111151034.db2.gz AVOFYUMSVQXTCC-SJORKVTESA-N -1 1 364.367 4.214 20 0 FIADMM Cc1ccc(-c2nnc([C@H](C)Sc3nc(C)c(C)c(=O)[n-]3)o2)cc1C ZINC000538515292 1111175856 /nfs/dbraw/zinc/17/58/56/1111175856.db2.gz RGHFUIPXYRSCQI-ZDUSSCGKSA-N -1 1 356.451 4.319 20 0 FIADMM Cc1oc(C2CC2)nc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000552111894 1111581335 /nfs/dbraw/zinc/58/13/35/1111581335.db2.gz VUHMTDZWQCUVEJ-UHFFFAOYSA-N -1 1 358.448 4.115 20 0 FIADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000478075573 1111670859 /nfs/dbraw/zinc/67/08/59/1111670859.db2.gz LKMSOWIAAAMHDG-ICSRJNTNSA-N -1 1 372.490 4.108 20 0 FIADMM CCc1noc(C)c1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000478774758 1111879977 /nfs/dbraw/zinc/87/99/77/1111879977.db2.gz SWRKMXKKGHVDPW-UHFFFAOYSA-N -1 1 366.805 4.109 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1 ZINC000479251886 1111975900 /nfs/dbraw/zinc/97/59/00/1111975900.db2.gz VTHGFHZFFVJOGL-UHFFFAOYSA-N -1 1 356.472 4.271 20 0 FIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc2ncsc2c1 ZINC000479520342 1112058674 /nfs/dbraw/zinc/05/86/74/1112058674.db2.gz ZFXTWSATNNUXCX-UHFFFAOYSA-N -1 1 371.443 4.116 20 0 FIADMM COc1ccc(CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](C)C2CC2)cc1 ZINC000554507577 1112380605 /nfs/dbraw/zinc/38/06/05/1112380605.db2.gz JEWPWWHQBVRZBV-CYBMUJFWSA-N -1 1 359.853 4.495 20 0 FIADMM O=S(=O)(CCc1cccs1)[N-]c1ccccc1OC1CCCC1 ZINC000555120223 1112682645 /nfs/dbraw/zinc/68/26/45/1112682645.db2.gz PLLDJQAZETXTTJ-UHFFFAOYSA-N -1 1 351.493 4.054 20 0 FIADMM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000899767863 1112986204 /nfs/dbraw/zinc/98/62/04/1112986204.db2.gz UAZBOHXUMLWJHM-DOTOQJQBSA-N -1 1 360.498 4.122 20 0 FIADMM Cc1ccc(C(=O)CCCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000481596065 1112991465 /nfs/dbraw/zinc/99/14/65/1112991465.db2.gz JHEKFGUFVBEHMV-UHFFFAOYSA-N -1 1 363.417 4.082 20 0 FIADMM CN(C(=O)c1cncc([O-])c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000555860121 1113035817 /nfs/dbraw/zinc/03/58/17/1113035817.db2.gz AWJAXEHHSXDQQE-IBGZPJMESA-N -1 1 370.811 4.441 20 0 FIADMM CCOC(=O)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(C)(C)C ZINC000600530694 1113075998 /nfs/dbraw/zinc/07/59/98/1113075998.db2.gz ALSQVIGZXUEOIX-HNNXBMFYSA-N -1 1 360.479 4.228 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c2cccnc12 ZINC000481841129 1113097125 /nfs/dbraw/zinc/09/71/25/1113097125.db2.gz ANWSGRNEVSGBHF-UHFFFAOYSA-N -1 1 356.447 4.131 20 0 FIADMM CCc1nc(C)c([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000481866713 1113111425 /nfs/dbraw/zinc/11/14/25/1113111425.db2.gz KUXGBARUUIDBSU-UHFFFAOYSA-N -1 1 365.307 4.263 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000481999452 1113148307 /nfs/dbraw/zinc/14/83/07/1113148307.db2.gz PYDRHGGQGINVKZ-OAHLLOKOSA-N -1 1 364.214 4.271 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000482562375 1113297020 /nfs/dbraw/zinc/29/70/20/1113297020.db2.gz YANSQYSUQNFHNL-VIFPVBQESA-N -1 1 370.193 4.484 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C)c(F)cc2F)c1 ZINC000482598768 1113304595 /nfs/dbraw/zinc/30/45/95/1113304595.db2.gz BZARZQGVAOLICZ-UHFFFAOYSA-N -1 1 356.166 4.302 20 0 FIADMM COc1ccc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482600044 1113309133 /nfs/dbraw/zinc/30/91/33/1113309133.db2.gz CBWACEUTBZTXIF-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM CCCc1nc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000482603887 1113309544 /nfs/dbraw/zinc/30/95/44/1113309544.db2.gz NOUTWRRXWMMGKT-UHFFFAOYSA-N -1 1 369.284 4.433 20 0 FIADMM CSc1ccccc1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482603850 1113309795 /nfs/dbraw/zinc/30/97/95/1113309795.db2.gz NBBYBFMODOCBKO-UHFFFAOYSA-N -1 1 366.280 4.366 20 0 FIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1 ZINC000486095610 1113504597 /nfs/dbraw/zinc/50/45/97/1113504597.db2.gz YHNDWFIYBSHJAW-UHFFFAOYSA-N -1 1 373.474 4.257 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1C ZINC000486105670 1113506665 /nfs/dbraw/zinc/50/66/65/1113506665.db2.gz AWOYHOSKLVQMRY-UHFFFAOYSA-N -1 1 373.474 4.096 20 0 FIADMM CC[C@H](C)Oc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1 ZINC000486191750 1113521184 /nfs/dbraw/zinc/52/11/84/1113521184.db2.gz DVTQXEUJRAVCPU-AWEZNQCLSA-N -1 1 363.417 4.070 20 0 FIADMM CCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C(C)C ZINC000569378173 1113549857 /nfs/dbraw/zinc/54/98/57/1113549857.db2.gz JEJLIXOYNXEBSA-UHFFFAOYSA-N -1 1 374.506 4.056 20 0 FIADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000486773494 1113639882 /nfs/dbraw/zinc/63/98/82/1113639882.db2.gz AFHXQXRTYLMGKD-LJQANCHMSA-N -1 1 374.278 4.349 20 0 FIADMM CC[C@H]1CC[C@H](C)N1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486840601 1113660758 /nfs/dbraw/zinc/66/07/58/1113660758.db2.gz BYEGZSXQZRXECO-QWRGUYRKSA-N -1 1 363.255 4.106 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000908708549 1113687396 /nfs/dbraw/zinc/68/73/96/1113687396.db2.gz YDYSBIHREQIQGH-JGVFFNPUSA-N -1 1 352.150 4.072 20 0 FIADMM CCC(CC)n1nc(C(=O)Nc2cccc([O-])c2Br)cc1C ZINC000908710547 1113687683 /nfs/dbraw/zinc/68/76/83/1113687683.db2.gz SABQADGSFBSHCS-UHFFFAOYSA-N -1 1 366.259 4.273 20 0 FIADMM COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000486962684 1113688218 /nfs/dbraw/zinc/68/82/18/1113688218.db2.gz DLZPPKGWMBXHHM-UHFFFAOYSA-N -1 1 362.813 4.140 20 0 FIADMM CCSc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000488669098 1113970255 /nfs/dbraw/zinc/97/02/55/1113970255.db2.gz BXZWSMBBWMDNSF-UHFFFAOYSA-N -1 1 366.490 4.007 20 0 FIADMM O=C(C[C@H]1C=CCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000489754564 1114168839 /nfs/dbraw/zinc/16/88/39/1114168839.db2.gz OVSAVLFXZTZXNM-INIZCTEOSA-N -1 1 370.474 4.172 20 0 FIADMM C/C=C/c1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000489956723 1114193529 /nfs/dbraw/zinc/19/35/29/1114193529.db2.gz ORNRJBUPPIKYQU-HWKANZROSA-N -1 1 374.444 4.157 20 0 FIADMM O=C(C[C@@H](c1ccccc1)C(F)(F)F)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000490113344 1114216622 /nfs/dbraw/zinc/21/66/22/1114216622.db2.gz SMPVNQQFCPBQMJ-LBPRGKRZSA-N -1 1 365.380 4.235 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCC2CCC(C)CC2)c1 ZINC000055489922 1114475145 /nfs/dbraw/zinc/47/51/45/1114475145.db2.gz UFBICGDFYFARKF-UHFFFAOYSA-N -1 1 372.538 4.249 20 0 FIADMM C[C@H]1CCC[C@H](CNC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000055481503 1114476044 /nfs/dbraw/zinc/47/60/44/1114476044.db2.gz DWWUBQKUCNRQPN-STQMWFEESA-N -1 1 364.540 4.002 20 0 FIADMM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000571975823 1114563133 /nfs/dbraw/zinc/56/31/33/1114563133.db2.gz KBKAOHRTXQVPTK-OAHLLOKOSA-N -1 1 366.280 4.087 20 0 FIADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000588833296 1114662422 /nfs/dbraw/zinc/66/24/22/1114662422.db2.gz HKGOVCIZBAVERQ-NSHDSACASA-N -1 1 359.369 4.214 20 0 FIADMM CC(C)C[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000590124452 1114897160 /nfs/dbraw/zinc/89/71/60/1114897160.db2.gz YLYPGNCJWWCNOR-MRXNPFEDSA-N -1 1 374.506 4.498 20 0 FIADMM O=C([O-])c1sccc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000572967977 1114939841 /nfs/dbraw/zinc/93/98/41/1114939841.db2.gz WNTZWCICYZKKFO-GFCCVEGCSA-N -1 1 372.273 4.406 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1sccc1OC(F)F ZINC000591151941 1115030519 /nfs/dbraw/zinc/03/05/19/1115030519.db2.gz RGPQIPYJIFPIIZ-UHFFFAOYSA-N -1 1 367.402 4.044 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000591796748 1115139690 /nfs/dbraw/zinc/13/96/90/1115139690.db2.gz PDIHEFYTTICYIQ-UHFFFAOYSA-N -1 1 365.323 4.450 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)C(F)(F)F)cc2)c1 ZINC000591796539 1115139708 /nfs/dbraw/zinc/13/97/08/1115139708.db2.gz FRGBDUWPSNFWEX-UHFFFAOYSA-N -1 1 365.323 4.450 20 0 FIADMM COc1ccc2c(c1)CN(Cn1c(CCC3CCCC3)n[n-]c1=S)CC2 ZINC000058206355 1115153668 /nfs/dbraw/zinc/15/36/68/1115153668.db2.gz SMXWHAZMLXDHEH-UHFFFAOYSA-N -1 1 372.538 4.088 20 0 FIADMM C/C(=C\C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000058255736 1115171113 /nfs/dbraw/zinc/17/11/13/1115171113.db2.gz TUPHZXPWNXBWBG-NTCAYCPXSA-N -1 1 370.474 4.091 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2s1 ZINC000033624258 1115238762 /nfs/dbraw/zinc/23/87/62/1115238762.db2.gz JQBQGPDXUVUTKU-UHFFFAOYSA-N -1 1 356.831 4.198 20 0 FIADMM COc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1F ZINC000669474204 1115289334 /nfs/dbraw/zinc/28/93/34/1115289334.db2.gz HGAACAMKNBPOHZ-AWEZNQCLSA-N -1 1 371.330 4.159 20 0 FIADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)cc2Cl)C1 ZINC000168223746 1115463989 /nfs/dbraw/zinc/46/39/89/1115463989.db2.gz SYXYNRCVWSFRFI-HNNXBMFYSA-N -1 1 360.679 4.179 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1 ZINC000061035325 1115756567 /nfs/dbraw/zinc/75/65/67/1115756567.db2.gz WBTQIEQBYZQDCU-UHFFFAOYSA-N -1 1 351.518 4.274 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc2c(c1)CCC2 ZINC000599124368 1115790885 /nfs/dbraw/zinc/79/08/85/1115790885.db2.gz IBQBAYXYAYZUEY-VIFPVBQESA-N -1 1 368.380 4.053 20 0 FIADMM COc1ccc(C(=O)[N-]C(=O)CS[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000062698453 1115962501 /nfs/dbraw/zinc/96/25/01/1115962501.db2.gz DUBVUKXRKWEULV-GFCCVEGCSA-N -1 1 363.866 4.099 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)c1 ZINC000063181489 1116018993 /nfs/dbraw/zinc/01/89/93/1116018993.db2.gz KAVSWASRQVZFPB-UHFFFAOYSA-N -1 1 362.451 4.000 20 0 FIADMM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc([O-])c(Br)c1)CO2 ZINC000063412023 1116060949 /nfs/dbraw/zinc/06/09/49/1116060949.db2.gz CXBSLRVHMPXTAU-QPEQYQDCSA-N -1 1 359.219 4.430 20 0 FIADMM CC1(C)CCCN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000173631204 1116078582 /nfs/dbraw/zinc/07/85/82/1116078582.db2.gz KWNVYUNVAWOCSO-UHFFFAOYSA-N -1 1 364.540 4.098 20 0 FIADMM Cc1nc(-c2ccc(NCCc3ccc(C(C)C)cc3)nc2)[n-]c(=O)c1C ZINC000608074787 1116080789 /nfs/dbraw/zinc/08/07/89/1116080789.db2.gz USUFXWFBAKCPOZ-UHFFFAOYSA-N -1 1 362.477 4.061 20 0 FIADMM Cc1nc(-c2ccc(NCc3cc4c(s3)CCCC4)nc2)[n-]c(=O)c1C ZINC000608080278 1116080983 /nfs/dbraw/zinc/08/09/83/1116080983.db2.gz YEHFAWWVJSAQRE-UHFFFAOYSA-N -1 1 366.490 4.413 20 0 FIADMM Cc1nc(-c2ccc(N3CCC(C4CCCC4)CC3)nc2)[n-]c(=O)c1C ZINC000608092604 1116084115 /nfs/dbraw/zinc/08/41/15/1116084115.db2.gz WGASRDSQQORSDC-UHFFFAOYSA-N -1 1 352.482 4.268 20 0 FIADMM Cc1nnc2ccc(-c3nc4ccc(Oc5ccccc5)cc4c(=O)[n-]3)cn12 ZINC000608102999 1116084638 /nfs/dbraw/zinc/08/46/38/1116084638.db2.gz XKYMJJJRHSZSNP-UHFFFAOYSA-N -1 1 369.384 4.146 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc1O ZINC000608342644 1116100524 /nfs/dbraw/zinc/10/05/24/1116100524.db2.gz UCLRAWMIYZTPEX-UHFFFAOYSA-N -1 1 366.442 4.146 20 0 FIADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1NC(=O)NC(C)(C)C ZINC000608365758 1116102499 /nfs/dbraw/zinc/10/24/99/1116102499.db2.gz QLSBULRZBQBQBR-UHFFFAOYSA-N -1 1 359.401 4.012 20 0 FIADMM CC[C@H](C)C[C@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000174116454 1116114527 /nfs/dbraw/zinc/11/45/27/1116114527.db2.gz MLSIOKBZRNZSTE-ZFWWWQNUSA-N -1 1 360.527 4.247 20 0 FIADMM CC[C@@H](C)C[C@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000174116442 1116114632 /nfs/dbraw/zinc/11/46/32/1116114632.db2.gz MLSIOKBZRNZSTE-HIFRSBDPSA-N -1 1 360.527 4.247 20 0 FIADMM CC(C)C1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000174380357 1116131729 /nfs/dbraw/zinc/13/17/29/1116131729.db2.gz FTQWERJKTQZXQB-UHFFFAOYSA-N -1 1 362.470 4.247 20 0 FIADMM CC(C)(C)C1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000516576351 1116159182 /nfs/dbraw/zinc/15/91/82/1116159182.db2.gz QIFRGTFXNHYWSM-HNNXBMFYSA-N -1 1 372.278 4.472 20 0 FIADMM Cc1sc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)nc1C(C)C ZINC000462843354 1117815303 /nfs/dbraw/zinc/81/53/03/1117815303.db2.gz UAHSBCJQNFZYDL-UHFFFAOYSA-N -1 1 369.494 4.361 20 0 FIADMM Cc1nc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[n-]c(=O)c1C ZINC000540716403 1118203842 /nfs/dbraw/zinc/20/38/42/1118203842.db2.gz OELHNNVGHRQIKY-SECBINFHSA-N -1 1 372.277 4.225 20 0 FIADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000463903219 1118366070 /nfs/dbraw/zinc/36/60/70/1118366070.db2.gz JWDHEWSDNGSDHH-HOTGVXAUSA-N -1 1 374.506 4.042 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2sc(C(F)(F)F)nc2C)c(F)c1 ZINC000464408093 1118545780 /nfs/dbraw/zinc/54/57/80/1118545780.db2.gz ROVFHPJZUJCUSS-UHFFFAOYSA-N -1 1 364.295 4.203 20 0 FIADMM COc1cc(C(=O)[N-]c2nc(-c3ccc4ccccc4c3)cs2)on1 ZINC000541543454 1118548380 /nfs/dbraw/zinc/54/83/80/1118548380.db2.gz MXZIBSPZHIQMJM-UHFFFAOYSA-N -1 1 351.387 4.212 20 0 FIADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1cc(Br)ccc1[O-] ZINC000303300588 1118910044 /nfs/dbraw/zinc/91/00/44/1118910044.db2.gz MMDXTPQATZMYFM-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(-c2ccc(F)cc2)n1 ZINC000491360565 1118940666 /nfs/dbraw/zinc/94/06/66/1118940666.db2.gz XTBOTNRTGKAACY-UHFFFAOYSA-N -1 1 372.406 4.313 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1F ZINC000303495327 1118950788 /nfs/dbraw/zinc/95/07/88/1118950788.db2.gz WZTGOTOFCUHCTR-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000646669470 1118961959 /nfs/dbraw/zinc/96/19/59/1118961959.db2.gz QINQYSJFXBTAAN-UHFFFAOYSA-N -1 1 369.770 4.379 20 0 FIADMM Cc1nc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)co1 ZINC000669944776 1119020423 /nfs/dbraw/zinc/02/04/23/1119020423.db2.gz NPBSFSCQIJHVBI-UHFFFAOYSA-N -1 1 366.855 4.033 20 0 FIADMM CC1(C)CN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1c1ccccc1 ZINC000492690836 1119165303 /nfs/dbraw/zinc/16/53/03/1119165303.db2.gz IVUHGAMWNGTCPF-HNNXBMFYSA-N -1 1 374.278 4.421 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(Cc2ccccc2F)s1 ZINC000185403430 1119661038 /nfs/dbraw/zinc/66/10/38/1119661038.db2.gz JVBIJPLIMFQYHC-UHFFFAOYSA-N -1 1 362.813 4.484 20 0 FIADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000152579394 1119847873 /nfs/dbraw/zinc/84/78/73/1119847873.db2.gz CVQUGWYPRWDQCV-SWLSCSKDSA-N -1 1 360.251 4.173 20 0 FIADMM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190953821 1119955723 /nfs/dbraw/zinc/95/57/23/1119955723.db2.gz XIXDIUDNHXCAFZ-HNNXBMFYSA-N -1 1 362.813 4.247 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2oc3ccccc3c2c1 ZINC000914746505 1120510532 /nfs/dbraw/zinc/51/05/32/1120510532.db2.gz XDSFKWZAPHEZAZ-UHFFFAOYSA-N -1 1 367.382 4.116 20 0 FIADMM CCC[C@@H](C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000761847891 1120537171 /nfs/dbraw/zinc/53/71/71/1120537171.db2.gz HNISQVBXEIECDE-CQSZACIVSA-N -1 1 371.462 4.441 20 0 FIADMM Cc1cc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)c(C)s1 ZINC000231220006 1120606588 /nfs/dbraw/zinc/60/65/88/1120606588.db2.gz KUALQDAKPMGXFC-SECBINFHSA-N -1 1 354.269 4.324 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000236452093 1120965779 /nfs/dbraw/zinc/96/57/79/1120965779.db2.gz ITJBPHGOJSKCRG-CQDKDKBSSA-N -1 1 372.690 4.320 20 0 FIADMM O=S(=O)(CCc1ccccc1)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000240767484 1120996668 /nfs/dbraw/zinc/99/66/68/1120996668.db2.gz AUQPEXAEIFDRLG-UHFFFAOYSA-N -1 1 363.788 4.343 20 0 FIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccccc4)s3)cs2)o1 ZINC000031274549 1121080058 /nfs/dbraw/zinc/08/00/58/1121080058.db2.gz HDVBCLWNOAKKTL-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1 ZINC000031721546 1121091120 /nfs/dbraw/zinc/09/11/20/1121091120.db2.gz APMISEYIVVEOLQ-UHFFFAOYSA-N -1 1 367.854 4.131 20 0 FIADMM O=C(NCc1cc2c(s1)CCCC2)c1cc(Br)ccc1[O-] ZINC001626054145 1121180193 /nfs/dbraw/zinc/18/01/93/1121180193.db2.gz MSXNZXDEXCKTHX-UHFFFAOYSA-N -1 1 366.280 4.025 20 0 FIADMM CCc1cccc(C)c1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043156570 1121187566 /nfs/dbraw/zinc/18/75/66/1121187566.db2.gz XCSOOPNEJNJZIW-UHFFFAOYSA-N -1 1 366.461 4.390 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000032587688 1121337234 /nfs/dbraw/zinc/33/72/34/1121337234.db2.gz WYTOQSSWZJXPHT-UHFFFAOYSA-N -1 1 361.797 4.305 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000032586219 1121337303 /nfs/dbraw/zinc/33/73/03/1121337303.db2.gz OWKSWZXETOMOFO-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM O=C(CCC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401313 1121471018 /nfs/dbraw/zinc/47/10/18/1121471018.db2.gz FMJYRXDCPWOBEK-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1F ZINC000063879249 1121591832 /nfs/dbraw/zinc/59/18/32/1121591832.db2.gz VXHMMMREKPMPEF-UHFFFAOYSA-N -1 1 362.451 4.422 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000063911319 1121593424 /nfs/dbraw/zinc/59/34/24/1121593424.db2.gz IBZWVCYMAYFHPC-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CC(C)C[C@@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424330 1121826538 /nfs/dbraw/zinc/82/65/38/1121826538.db2.gz KDGDGLAIRFWIBI-CYBMUJFWSA-N -1 1 350.532 4.054 20 0 FIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F ZINC000126428990 1121953952 /nfs/dbraw/zinc/95/39/52/1121953952.db2.gz QFDHAABKRJNFLX-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(-c2ccncc2)cs1 ZINC000126738347 1121982230 /nfs/dbraw/zinc/98/22/30/1121982230.db2.gz ZMHGADUVRKXOPS-SNVBAGLBSA-N -1 1 359.838 4.055 20 0 FIADMM Cc1ccc(CN(CC2CC2)C(=O)c2ccc(C(F)(F)F)c([O-])c2)cn1 ZINC000649011939 1121995353 /nfs/dbraw/zinc/99/53/53/1121995353.db2.gz KPXIAZXVUINRPW-UHFFFAOYSA-N -1 1 364.367 4.167 20 0 FIADMM Cc1noc([N-]C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC000066047542 1122030813 /nfs/dbraw/zinc/03/08/13/1122030813.db2.gz GWRIHNPHARNCGJ-UHFFFAOYSA-N -1 1 355.206 4.061 20 0 FIADMM CC(=O)Nc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000186379991 1122071636 /nfs/dbraw/zinc/07/16/36/1122071636.db2.gz FNJRAYFGWDRYIG-VIFPVBQESA-N -1 1 367.218 4.425 20 0 FIADMM Cc1ccn(-c2ccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)cc2)n1 ZINC000671931533 1122205700 /nfs/dbraw/zinc/20/57/00/1122205700.db2.gz CXRYWPQLTOKSBV-UHFFFAOYSA-N -1 1 361.323 4.157 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1Cl ZINC000055579704 1122254885 /nfs/dbraw/zinc/25/48/85/1122254885.db2.gz OVIRCKYRKYJPCS-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(C)c1O ZINC000055616221 1122257478 /nfs/dbraw/zinc/25/74/78/1122257478.db2.gz KDYBNZBXLXFRNA-UHFFFAOYSA-N -1 1 353.443 4.477 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000055638839 1122259483 /nfs/dbraw/zinc/25/94/83/1122259483.db2.gz GTNBPCQOOLGIAD-UHFFFAOYSA-N -1 1 360.479 4.349 20 0 FIADMM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000917651200 1122392893 /nfs/dbraw/zinc/39/28/93/1122392893.db2.gz OLPZWVZVWMHYTP-MRVPVSSYSA-N -1 1 368.669 4.149 20 0 FIADMM Cc1ccnc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)cc2)n1 ZINC000670417323 1122473662 /nfs/dbraw/zinc/47/36/62/1122473662.db2.gz OTHUCJSTHQVHGQ-UHFFFAOYSA-N -1 1 373.334 4.429 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000497954333 1122482055 /nfs/dbraw/zinc/48/20/55/1122482055.db2.gz DDYAUKSFNDFMPW-UHFFFAOYSA-N -1 1 371.380 4.295 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1F ZINC000498020539 1122522360 /nfs/dbraw/zinc/52/23/60/1122522360.db2.gz NITQWFXLGIZFQV-UHFFFAOYSA-N -1 1 358.385 4.033 20 0 FIADMM CCC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498198964 1122618900 /nfs/dbraw/zinc/61/89/00/1122618900.db2.gz BUHZCVUZNAWLFR-OAHLLOKOSA-N -1 1 360.479 4.171 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000129628170 1122652084 /nfs/dbraw/zinc/65/20/84/1122652084.db2.gz RPUPEBBSUSFYOI-UHFFFAOYSA-N -1 1 364.792 4.008 20 0 FIADMM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001127440562 1122724733 /nfs/dbraw/zinc/72/47/33/1122724733.db2.gz IVYDZCRMNTVVBE-QFYYESIMSA-N -1 1 373.321 4.088 20 0 FIADMM CC[C@H]1CCC[C@H](NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000154927218 1122925990 /nfs/dbraw/zinc/92/59/90/1122925990.db2.gz IWOFTTBDKYTSAP-RDJZCZTQSA-N -1 1 372.538 4.391 20 0 FIADMM Cc1oc(-c2ccccc2)nc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000073689298 1123239238 /nfs/dbraw/zinc/23/92/38/1123239238.db2.gz DZDCJTAYMVFJKD-UHFFFAOYSA-N -1 1 367.352 4.457 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1 ZINC000499281791 1123406798 /nfs/dbraw/zinc/40/67/98/1123406798.db2.gz GUMWNGPTFMSPCJ-UHFFFAOYSA-N -1 1 356.447 4.341 20 0 FIADMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1c([O-])cccc1Cl ZINC000920456329 1123459632 /nfs/dbraw/zinc/45/96/32/1123459632.db2.gz JVSCHVUIFFXXLQ-UHFFFAOYSA-N -1 1 353.765 4.434 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC001212256348 1123662767 /nfs/dbraw/zinc/66/27/67/1123662767.db2.gz CQNNMSWACNVBLM-VIFPVBQESA-N -1 1 370.824 4.001 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000135389825 1123746880 /nfs/dbraw/zinc/74/68/80/1123746880.db2.gz HOZFTIBVFOOZDW-UHFFFAOYSA-N -1 1 370.430 4.044 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1c1ccsc1 ZINC000136049160 1123829011 /nfs/dbraw/zinc/82/90/11/1123829011.db2.gz PIFYNDPBQMVAAZ-CYBMUJFWSA-N -1 1 352.253 4.194 20 0 FIADMM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000175453825 1123876603 /nfs/dbraw/zinc/87/66/03/1123876603.db2.gz LVCQNQYTTRLMEW-UHFFFAOYSA-N -1 1 362.385 4.063 20 0 FIADMM O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1cncc([O-])c1 ZINC000670788835 1124167495 /nfs/dbraw/zinc/16/74/95/1124167495.db2.gz NBUCSNLKFHURTE-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@H]2CCNc3ccccc32)cc1 ZINC001168650273 1124364060 /nfs/dbraw/zinc/36/40/60/1124364060.db2.gz RNNQNCLPNQQABJ-SJCJKPOMSA-N -1 1 363.383 4.395 20 0 FIADMM C[C@@H]1CCC[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000303969301 1124523934 /nfs/dbraw/zinc/52/39/34/1124523934.db2.gz ZLWBRPVYKSACJX-CVEARBPZSA-N -1 1 372.490 4.252 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC000756331967 1124577980 /nfs/dbraw/zinc/57/79/80/1124577980.db2.gz DCGKKSPQJGFIAM-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000060619869 1124580306 /nfs/dbraw/zinc/58/03/06/1124580306.db2.gz YOZOAOVSHFMGBB-UHFFFAOYSA-N -1 1 366.870 4.270 20 0 FIADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc3ccccc3cc1[O-])CCC2 ZINC000110531141 1124754739 /nfs/dbraw/zinc/75/47/39/1124754739.db2.gz RDJMIVZUVYNIMD-QGZVFWFLSA-N -1 1 352.459 4.460 20 0 FIADMM CCOC(=O)c1sc(SC)nc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482595 1124804427 /nfs/dbraw/zinc/80/44/27/1124804427.db2.gz CVLGBUGRHLGOFP-UHFFFAOYSA-N -1 1 362.835 4.283 20 0 FIADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630862478 1124891273 /nfs/dbraw/zinc/89/12/73/1124891273.db2.gz BKLMBKIEBAXXPL-UTKZUKDTSA-N -1 1 373.880 4.214 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2ccccc2Cl)cc(Cl)c1[O-] ZINC000215927548 1125068685 /nfs/dbraw/zinc/06/86/85/1125068685.db2.gz PQQDSHKTVKXGBX-UHFFFAOYSA-N -1 1 354.233 4.370 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618847519 1125299534 /nfs/dbraw/zinc/29/95/34/1125299534.db2.gz QKOLNYBVFWCHAE-UHFFFAOYSA-N -1 1 351.450 4.390 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)C=CCCC3)c(=O)[n-]1 ZINC000618852141 1125300653 /nfs/dbraw/zinc/30/06/53/1125300653.db2.gz UAODSSZKSVZDGS-UHFFFAOYSA-N -1 1 369.490 4.133 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)c1Cl ZINC000672889802 1125345117 /nfs/dbraw/zinc/34/51/17/1125345117.db2.gz WRIHTRBXIRUXPQ-UHFFFAOYSA-N -1 1 364.216 4.311 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000007505260 207197732 /nfs/dbraw/zinc/19/77/32/207197732.db2.gz MGLPBCOADUDWDE-UHFFFAOYSA-N -1 1 356.831 4.198 20 0 FIADMM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1Cl ZINC000044255605 208314151 /nfs/dbraw/zinc/31/41/51/208314151.db2.gz RZCCCKSQUMTMFE-UHFFFAOYSA-N -1 1 369.632 4.169 20 0 FIADMM C[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])c2c(O)cccc21 ZINC000186279177 567897243 /nfs/dbraw/zinc/89/72/43/567897243.db2.gz CVGMNOLCLYFZME-JTQLQIEISA-N -1 1 362.223 4.014 20 0 FIADMM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1ocnc1C(F)F ZINC000602262998 567961149 /nfs/dbraw/zinc/96/11/49/567961149.db2.gz NFKHAGPFUUISDE-UHFFFAOYSA-N -1 1 358.366 4.010 20 0 FIADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000051468008 567979359 /nfs/dbraw/zinc/97/93/59/567979359.db2.gz UUDJTMCEVLBBJG-BEFAXECRSA-N -1 1 359.853 4.286 20 0 FIADMM O=C(CSCc1cccc(Cl)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603879310 568175877 /nfs/dbraw/zinc/17/58/77/568175877.db2.gz RLBHAPAINXRLSB-UHFFFAOYSA-N -1 1 373.865 4.308 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1ccc2ccccc2c1 ZINC000605118681 568573458 /nfs/dbraw/zinc/57/34/58/568573458.db2.gz DDIMGGPKOIYZAD-UHFFFAOYSA-N -1 1 361.426 4.098 20 0 FIADMM CC(C)(CCc1ccccc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000318879610 568585735 /nfs/dbraw/zinc/58/57/35/568585735.db2.gz RFBKPDNVLUDGIM-UHFFFAOYSA-N -1 1 362.267 4.296 20 0 FIADMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1c([O-])cc(F)cc1F ZINC000066048001 1125488356 /nfs/dbraw/zinc/48/83/56/1125488356.db2.gz CBNROCGSIJFZTD-UHFFFAOYSA-N -1 1 355.300 4.059 20 0 FIADMM O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc([O-])c(Br)c1 ZINC000049525060 1079575697 /nfs/dbraw/zinc/57/56/97/1079575697.db2.gz VVDJIWZQIIRUOS-WZUFQYTHSA-N -1 1 350.599 4.301 20 0 FIADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccc(C(F)(F)F)cc1 ZINC000579765312 1079635555 /nfs/dbraw/zinc/63/55/55/1079635555.db2.gz WNCLGUKKZSTQKV-SECBINFHSA-N -1 1 359.294 4.223 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1C(F)(F)F ZINC000471134169 1079776779 /nfs/dbraw/zinc/77/67/79/1079776779.db2.gz QLXMYEWGFRZPGX-UHFFFAOYSA-N -1 1 369.286 4.232 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(C)C)cc1OC ZINC000471135372 1079784823 /nfs/dbraw/zinc/78/48/23/1079784823.db2.gz CJRWTNOZZVMKOG-UHFFFAOYSA-N -1 1 367.492 4.005 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1cccc(Br)c1 ZINC000683173954 1079809720 /nfs/dbraw/zinc/80/97/20/1079809720.db2.gz MSVFGVCQOZOHNZ-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])[C@@H](NCc1ccsc1Cl)c1cccc(Br)c1 ZINC000683173828 1079810582 /nfs/dbraw/zinc/81/05/82/1079810582.db2.gz LCWOTYDRLSKMBE-NSHDSACASA-N -1 1 360.660 4.080 20 0 FIADMM Cc1ccc2nc(CN=c3[n-]nc(-c4ccccc4Cl)s3)[nH]c2c1 ZINC000544837468 1079923432 /nfs/dbraw/zinc/92/34/32/1079923432.db2.gz RUKKSCDPTVKQLQ-UHFFFAOYSA-N -1 1 355.854 4.077 20 0 FIADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001625801081 1080000290 /nfs/dbraw/zinc/00/02/90/1080000290.db2.gz ONXQHFMNSCIVBV-OALUTQOASA-N -1 1 373.880 4.293 20 0 FIADMM CC(C)n1c(CNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)n[n-]c1=S ZINC000066639111 1080019214 /nfs/dbraw/zinc/01/92/14/1080019214.db2.gz VTXVFYQBWRLKMZ-UHFFFAOYSA-N -1 1 371.510 4.230 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Cl)cc1C(F)(F)F ZINC000180202221 1080465608 /nfs/dbraw/zinc/46/56/08/1080465608.db2.gz ZYJZMLWDZIWOGX-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CCc1ccc(-c2ccc(C(=O)NCc3n[n-]c(=S)n3C3CC3)o2)cc1 ZINC000080061487 1080525470 /nfs/dbraw/zinc/52/54/70/1080525470.db2.gz ZCEMGJZAWYAWSJ-UHFFFAOYSA-N -1 1 368.462 4.028 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Cl)c(F)cc1Br ZINC001650899913 1081131043 /nfs/dbraw/zinc/13/10/43/1081131043.db2.gz ZQCQIQPPLRAVNG-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM CCOc1cc(-c2noc(-c3ccnc(C4CC4)c3)n2)cc(Cl)c1[O-] ZINC000683589588 1081180902 /nfs/dbraw/zinc/18/09/02/1081180902.db2.gz VMQCREDTOVSMOT-UHFFFAOYSA-N -1 1 357.797 4.434 20 0 FIADMM O=C(Nc1cc2c(cn1)CCCC2)c1c([O-])cnc2ccc(Cl)cc21 ZINC001648819566 1081246175 /nfs/dbraw/zinc/24/61/75/1081246175.db2.gz NKFPSSNRPZVHJU-UHFFFAOYSA-N -1 1 353.809 4.120 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)cc1C ZINC000064374844 1081279762 /nfs/dbraw/zinc/27/97/62/1081279762.db2.gz DXGSZLVBUWCKSI-UHFFFAOYSA-N -1 1 357.884 4.180 20 0 FIADMM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc(F)c1[O-] ZINC001648850603 1081294742 /nfs/dbraw/zinc/29/47/42/1081294742.db2.gz IXMJUKDUSRZBOH-SECBINFHSA-N -1 1 370.193 4.250 20 0 FIADMM CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(Cl)ccc1[O-] ZINC001648852973 1081301752 /nfs/dbraw/zinc/30/17/52/1081301752.db2.gz OHPLXKQBRRAAHS-LLVKDONJSA-N -1 1 364.898 4.289 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115220060 1081521365 /nfs/dbraw/zinc/52/13/65/1081521365.db2.gz SLIAJNVISBIOIN-UHFFFAOYSA-N -1 1 365.404 4.368 20 0 FIADMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1coc(-c2ccccc2)n1 ZINC000119037825 1081888550 /nfs/dbraw/zinc/88/85/50/1081888550.db2.gz VVAQRPTXKMDOHD-UHFFFAOYSA-N -1 1 365.780 4.032 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1sccc1OC(F)F ZINC000255530063 1081954376 /nfs/dbraw/zinc/95/43/76/1081954376.db2.gz ZWIULRZXYTWDEP-ARJAWSKDSA-N -1 1 369.374 4.217 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(SC(F)(F)F)cc1 ZINC000064937634 1081964250 /nfs/dbraw/zinc/96/42/50/1081964250.db2.gz VZIAYMSDXYLMIJ-UHFFFAOYSA-N -1 1 351.346 4.238 20 0 FIADMM CCC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580838305 1082182738 /nfs/dbraw/zinc/18/27/38/1082182738.db2.gz CQSXBCDHYAZPCT-IAQYHMDHSA-N -1 1 358.251 4.226 20 0 FIADMM CCC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580838306 1082182816 /nfs/dbraw/zinc/18/28/16/1082182816.db2.gz CQSXBCDHYAZPCT-NHYWBVRUSA-N -1 1 358.251 4.226 20 0 FIADMM CCc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)[n-]c(=O)c1C ZINC000581261251 1082413070 /nfs/dbraw/zinc/41/30/70/1082413070.db2.gz PKRSQDAEYDGSNB-LLVKDONJSA-N -1 1 365.886 4.134 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2csc(-c3ccccn3)n2)s1 ZINC000146457930 1082579478 /nfs/dbraw/zinc/57/94/78/1082579478.db2.gz XFQRHHWUGLFLFD-UHFFFAOYSA-N -1 1 359.480 4.042 20 0 FIADMM O=C(OCc1csc(-c2ccccc2F)n1)c1c([O-])cc(F)cc1F ZINC000728337367 1082585941 /nfs/dbraw/zinc/58/59/41/1082585941.db2.gz UNWZRSTWHNDJLU-UHFFFAOYSA-N -1 1 365.332 4.290 20 0 FIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2cccc(OC3CC3)c2F)cc1 ZINC000656574820 1082593596 /nfs/dbraw/zinc/59/35/96/1082593596.db2.gz ZRBLCJGUZSJJLG-SFHVURJKSA-N -1 1 373.424 4.071 20 0 FIADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)c1 ZINC000650455425 1082827679 /nfs/dbraw/zinc/82/76/79/1082827679.db2.gz YQHDRLYHLCRAGP-UHFFFAOYSA-N -1 1 351.280 4.009 20 0 FIADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000261765113 1083059367 /nfs/dbraw/zinc/05/93/67/1083059367.db2.gz VJEVSIKBSMIOBO-HNNXBMFYSA-N -1 1 364.239 4.148 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccccc1Br ZINC000016123545 1083358181 /nfs/dbraw/zinc/35/81/81/1083358181.db2.gz MAEALPGSJQTPDT-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM O=C(C[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-])c1cccs1 ZINC000092422965 1083403514 /nfs/dbraw/zinc/40/35/14/1083403514.db2.gz SMJWLOWWCBXRPN-MRXNPFEDSA-N -1 1 365.454 4.485 20 0 FIADMM O=C(c1ncc2ccccc2c1[O-])N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000612128614 1083406588 /nfs/dbraw/zinc/40/65/88/1083406588.db2.gz AGWBZPUFAKZWCN-ROUUACIJSA-N -1 1 366.461 4.085 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1C ZINC000533894669 1083428273 /nfs/dbraw/zinc/42/82/73/1083428273.db2.gz FETDFVSEAJUJHK-UHFFFAOYSA-N -1 1 361.463 4.094 20 0 FIADMM COc1ccc(-c2nsc([N-]C(=O)c3ccoc3C(F)(F)F)n2)cc1 ZINC000685707806 1083446905 /nfs/dbraw/zinc/44/69/05/1083446905.db2.gz TWPSSZPITCFYNB-UHFFFAOYSA-N -1 1 369.324 4.078 20 0 FIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1nc(-c2ccccc2)cs1 ZINC000185967127 1083705236 /nfs/dbraw/zinc/70/52/36/1083705236.db2.gz UTPGOQFQSQOKSU-UHFFFAOYSA-N -1 1 353.451 4.159 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1Cl ZINC000471992138 1083943239 /nfs/dbraw/zinc/94/32/39/1083943239.db2.gz MSXVZVOXSINFFZ-UHFFFAOYSA-N -1 1 357.884 4.180 20 0 FIADMM CC(C)c1ccc(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)c([O-])c1 ZINC000413878258 1083986099 /nfs/dbraw/zinc/98/60/99/1083986099.db2.gz IAIQRCLGQVOKHC-UHFFFAOYSA-N -1 1 368.477 4.321 20 0 FIADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000013988200 1084016338 /nfs/dbraw/zinc/01/63/38/1084016338.db2.gz CSRDLRNJYWERBT-UHFFFAOYSA-N -1 1 360.479 4.089 20 0 FIADMM CCc1nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)nn1-c1ccccc1 ZINC000472025171 1084091813 /nfs/dbraw/zinc/09/18/13/1084091813.db2.gz LWMOJNNWXIGEEW-UHFFFAOYSA-N -1 1 373.416 4.045 20 0 FIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000472024199 1084093283 /nfs/dbraw/zinc/09/32/83/1084093283.db2.gz DSTLGBKMIXYYNS-UHFFFAOYSA-N -1 1 374.400 4.097 20 0 FIADMM CCc1nc(SCc2cccc(OCc3ccccn3)c2)[n-]c(=O)c1C ZINC000657264111 1084133076 /nfs/dbraw/zinc/13/30/76/1084133076.db2.gz FBENCWLZLRFGGQ-UHFFFAOYSA-N -1 1 367.474 4.319 20 0 FIADMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cc(Cl)ccc1Cl ZINC000511430530 1084366926 /nfs/dbraw/zinc/36/69/26/1084366926.db2.gz PJJFVCCOXGTDEH-UHFFFAOYSA-N -1 1 362.200 4.004 20 0 FIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c1 ZINC000548996232 1084380981 /nfs/dbraw/zinc/38/09/81/1084380981.db2.gz VNYWFEMCOQLZJR-UHFFFAOYSA-N -1 1 362.476 4.474 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(C)CCCC2)cc1 ZINC000066443332 1084493169 /nfs/dbraw/zinc/49/31/69/1084493169.db2.gz CXCVFXDHSUKNHO-UHFFFAOYSA-N -1 1 358.511 4.003 20 0 FIADMM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1c(F)ccc([O-])c1F ZINC000582029781 1084498651 /nfs/dbraw/zinc/49/86/51/1084498651.db2.gz LQEANIKYDAYFSJ-UHFFFAOYSA-N -1 1 365.339 4.237 20 0 FIADMM COc1ccc(-c2ncc(C(=O)Nc3ccc([O-])c(Cl)c3)s2)cc1 ZINC000173380348 1084619211 /nfs/dbraw/zinc/61/92/11/1084619211.db2.gz CENWPKQMCTYWMF-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000684749733 1084625258 /nfs/dbraw/zinc/62/52/58/1084625258.db2.gz DCXYXMXZTQVQOX-UHFFFAOYSA-N -1 1 366.179 4.276 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(CSC(F)F)o2)c1 ZINC000277498243 1084718327 /nfs/dbraw/zinc/71/83/27/1084718327.db2.gz XMGUGOJKAPXQII-HNNXBMFYSA-N -1 1 371.405 4.050 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 ZINC000066588472 1084727029 /nfs/dbraw/zinc/72/70/29/1084727029.db2.gz LCPAHPHYCZOTDT-UHFFFAOYSA-N -1 1 357.403 4.005 20 0 FIADMM CC(C)n1c(CNC(=O)c2ccccc2Oc2ccccc2)n[n-]c1=S ZINC000066640385 1084828747 /nfs/dbraw/zinc/82/87/47/1084828747.db2.gz SJYLKBOZYHZPNM-UHFFFAOYSA-N -1 1 368.462 4.244 20 0 FIADMM O=C(CC1CCC(c2ccccc2)CC1)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638083 1084835169 /nfs/dbraw/zinc/83/51/69/1084835169.db2.gz IVUBLBCOOOMRTD-UHFFFAOYSA-N -1 1 370.522 4.256 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000024429401 1084905067 /nfs/dbraw/zinc/90/50/67/1084905067.db2.gz YTBFOCSNZMBLEL-UHFFFAOYSA-N -1 1 351.733 4.039 20 0 FIADMM CCC1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000175661474 1084985507 /nfs/dbraw/zinc/98/55/07/1084985507.db2.gz SREFDHFNYVMNPG-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870514 1084999843 /nfs/dbraw/zinc/99/98/43/1084999843.db2.gz FTMQOXZXGPPEKB-MRXNPFEDSA-N -1 1 365.351 4.397 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(CCc1cccc(F)c1)C1CC1 ZINC000684874618 1085009501 /nfs/dbraw/zinc/00/95/01/1085009501.db2.gz UKBNRXCQINRPQY-UHFFFAOYSA-N -1 1 367.342 4.397 20 0 FIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875570 1085015889 /nfs/dbraw/zinc/01/58/89/1085015889.db2.gz KFTHIXFXHNJBGP-HNNXBMFYSA-N -1 1 352.356 4.419 20 0 FIADMM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000548739791 1085089878 /nfs/dbraw/zinc/08/98/78/1085089878.db2.gz QLIWXHYNVHJDBZ-LLVKDONJSA-N -1 1 350.340 4.172 20 0 FIADMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000548739792 1085090069 /nfs/dbraw/zinc/09/00/69/1085090069.db2.gz QLIWXHYNVHJDBZ-NSHDSACASA-N -1 1 350.340 4.172 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000152700169 1085114045 /nfs/dbraw/zinc/11/40/45/1085114045.db2.gz MENFZMNGILZVFN-IRXDYDNUSA-N -1 1 370.522 4.001 20 0 FIADMM CCC[C@@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431459046 1085207266 /nfs/dbraw/zinc/20/72/66/1085207266.db2.gz SADBJMVIZSVVKB-SSDOTTSWSA-N -1 1 365.065 4.292 20 0 FIADMM Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-])CCC2 ZINC000582612412 1085246056 /nfs/dbraw/zinc/24/60/56/1085246056.db2.gz TXTFXIHOYYSWKS-OAHLLOKOSA-N -1 1 350.871 4.313 20 0 FIADMM Cc1nc2c(s1)[C@H](N(C)Cc1c(Cl)cccc1C(=O)[O-])CCC2 ZINC000582612412 1085246067 /nfs/dbraw/zinc/24/60/67/1085246067.db2.gz TXTFXIHOYYSWKS-OAHLLOKOSA-N -1 1 350.871 4.313 20 0 FIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nc(-c4ccccc4)ns3)cs2)o1 ZINC000047692682 1085724854 /nfs/dbraw/zinc/72/48/54/1085724854.db2.gz RONKNWKZEHXAEV-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1[nH]c2ccc(F)cc2c1Cl ZINC000582804593 1085740511 /nfs/dbraw/zinc/74/05/11/1085740511.db2.gz JUQDUQCXNGOAEQ-UHFFFAOYSA-N -1 1 370.771 4.308 20 0 FIADMM CCOc1cc(-c2nc(-c3c(C)nsc3C)no2)cc(Cl)c1[O-] ZINC000582821486 1085782462 /nfs/dbraw/zinc/78/24/62/1085782462.db2.gz PKTPXEVUXLTSBE-UHFFFAOYSA-N -1 1 351.815 4.235 20 0 FIADMM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1c[nH]c2ccccc2c1=O ZINC001125639248 1085973255 /nfs/dbraw/zinc/97/32/55/1085973255.db2.gz XYTHDONFRLHIAE-UHFFFAOYSA-N -1 1 366.848 4.381 20 0 FIADMM CC(C)N(CCC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000652478458 1086097893 /nfs/dbraw/zinc/09/78/93/1086097893.db2.gz FBFUBQSTVNCXMW-UHFFFAOYSA-N -1 1 352.887 4.072 20 0 FIADMM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1c([O-])cccc1F ZINC000184390600 1086100132 /nfs/dbraw/zinc/10/01/32/1086100132.db2.gz BSYNPBKFULBISH-SFHVURJKSA-N -1 1 356.784 4.099 20 0 FIADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000652499530 1086134873 /nfs/dbraw/zinc/13/48/73/1086134873.db2.gz ANCVJHLXHUKFHR-MRXNPFEDSA-N -1 1 358.507 4.057 20 0 FIADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000535923046 1086145220 /nfs/dbraw/zinc/14/52/20/1086145220.db2.gz KCZLRQVWJXKNCV-LBPRGKRZSA-N -1 1 355.825 4.253 20 0 FIADMM O=C([O-])CC[C@H](CNCc1cc(Cl)sc1Cl)C(F)(F)F ZINC000663260993 1086343997 /nfs/dbraw/zinc/34/39/97/1086343997.db2.gz GHBBEVVCIDUFOZ-SSDOTTSWSA-N -1 1 350.189 4.188 20 0 FIADMM CC(C)NC(=O)N[N-]C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000063265711 1086419145 /nfs/dbraw/zinc/41/91/45/1086419145.db2.gz GMZQZOUVZGQRNK-UHFFFAOYSA-N -1 1 372.277 4.074 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1CC ZINC000535991505 1086549231 /nfs/dbraw/zinc/54/92/31/1086549231.db2.gz GHWLMWGIAUIPOE-UHFFFAOYSA-N -1 1 367.474 4.069 20 0 FIADMM O=C(Nc1ccc2cc(Br)ccc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000317410448 1086649829 /nfs/dbraw/zinc/64/98/29/1086649829.db2.gz DFZNTVBWGQAPRR-UHFFFAOYSA-N -1 1 360.167 4.091 20 0 FIADMM O=C(N1CCC(c2n[n-]c(=O)o2)CC1)C1(C2CCCCC2)CCCCC1 ZINC000583627074 1086872482 /nfs/dbraw/zinc/87/24/82/1086872482.db2.gz CXNUXBCADKBQRA-UHFFFAOYSA-N -1 1 361.486 4.012 20 0 FIADMM CC(C)(C)OC(=O)c1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000583662727 1086905874 /nfs/dbraw/zinc/90/58/74/1086905874.db2.gz RSTIMJPLSKVXSY-UHFFFAOYSA-N -1 1 368.405 4.367 20 0 FIADMM CCc1nc(S[C@H](C)c2nc(-c3ccccc3C)no2)[n-]c(=O)c1C ZINC000583764868 1086951114 /nfs/dbraw/zinc/95/11/14/1086951114.db2.gz XQHKAHZDNGJPBZ-GFCCVEGCSA-N -1 1 356.451 4.265 20 0 FIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000583774389 1086958048 /nfs/dbraw/zinc/95/80/48/1086958048.db2.gz NHZHWDNWCSEDKF-UHFFFAOYSA-N -1 1 368.405 4.020 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000448132945 1086969757 /nfs/dbraw/zinc/96/97/57/1086969757.db2.gz RWABJDHBUGERCU-UHFFFAOYSA-N -1 1 373.474 4.309 20 0 FIADMM CC[C@H]1c2ccsc2CCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000583817790 1086976400 /nfs/dbraw/zinc/97/64/00/1086976400.db2.gz BKWBESYBONXZJW-HNNXBMFYSA-N -1 1 365.882 4.488 20 0 FIADMM O=S(=O)([N-]Cc1csc2ccccc12)c1ccc(Cl)nc1Cl ZINC000725823419 1087224753 /nfs/dbraw/zinc/22/47/53/1087224753.db2.gz XGAMQQQPRGSDBQ-UHFFFAOYSA-N -1 1 373.286 4.082 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC([C@@H]2CCCO2)CC1 ZINC000584356245 1087279194 /nfs/dbraw/zinc/27/91/94/1087279194.db2.gz FJRJFMHQFWWKEC-JKSUJKDBSA-N -1 1 358.265 4.010 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(Cl)c1 ZINC000584432119 1087403666 /nfs/dbraw/zinc/40/36/66/1087403666.db2.gz QYNDXHUSUZAWBO-UHFFFAOYSA-N -1 1 369.870 4.245 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000171207546 1087518524 /nfs/dbraw/zinc/51/85/24/1087518524.db2.gz DSUOKKWOPUWQTG-MRXNPFEDSA-N -1 1 370.207 4.052 20 0 FIADMM CCOc1cc(-c2noc(-c3coc(C4CCC4)n3)n2)cc(Cl)c1[O-] ZINC000685363851 1087545141 /nfs/dbraw/zinc/54/51/41/1087545141.db2.gz VIRMNFYNBZBABD-UHFFFAOYSA-N -1 1 361.785 4.417 20 0 FIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c(=O)c3c2)cc1 ZINC000424088590 1087758378 /nfs/dbraw/zinc/75/83/78/1087758378.db2.gz UMDIQLUPCKGPDL-UHFFFAOYSA-N -1 1 370.474 4.330 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1Cl ZINC000548862317 1087787013 /nfs/dbraw/zinc/78/70/13/1087787013.db2.gz LZYOMDYUSWJYQW-UHFFFAOYSA-N -1 1 364.216 4.169 20 0 FIADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1ccccc1OC(F)(F)F ZINC000799916576 1087789120 /nfs/dbraw/zinc/78/91/20/1087789120.db2.gz KSSZIHSQEIEUJJ-KTKRTIGZSA-N -1 1 361.316 4.137 20 0 FIADMM COC(=O)c1cccc(CN(C)Cc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001140833625 1087873568 /nfs/dbraw/zinc/87/35/68/1087873568.db2.gz ZFCVFMDZRYDGFL-UHFFFAOYSA-N -1 1 354.233 4.118 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)c2cc(F)ccc2OC)cc(Cl)c1[O-] ZINC000186640306 1087958282 /nfs/dbraw/zinc/95/82/82/1087958282.db2.gz ORPFQMLUPJVDSS-SNVBAGLBSA-N -1 1 367.804 4.083 20 0 FIADMM CCOc1cc(C(=O)NCCc2c(C)[nH]c3ccccc32)cc(Cl)c1[O-] ZINC000186771525 1087984382 /nfs/dbraw/zinc/98/43/82/1087984382.db2.gz UWTCWOFJPMUFJE-UHFFFAOYSA-N -1 1 372.852 4.207 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000186812823 1087993831 /nfs/dbraw/zinc/99/38/31/1087993831.db2.gz HYRGDCYJAVHFNJ-MRXNPFEDSA-N -1 1 359.853 4.074 20 0 FIADMM CCOc1cc(C(=O)NCC(C)(C)c2cccs2)cc(Cl)c1[O-] ZINC000186812997 1087995518 /nfs/dbraw/zinc/99/55/18/1087995518.db2.gz ZVFIBLRURLLOBB-UHFFFAOYSA-N -1 1 353.871 4.213 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 ZINC000414374010 1088024260 /nfs/dbraw/zinc/02/42/60/1088024260.db2.gz NIMRNPOXCRRYKE-UHFFFAOYSA-N -1 1 372.490 4.423 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000134686270 1088278797 /nfs/dbraw/zinc/27/87/97/1088278797.db2.gz ZRJHBRAFCZHRSC-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000505318124 1088349327 /nfs/dbraw/zinc/34/93/27/1088349327.db2.gz SSEYXFIYKYDTDC-UHFFFAOYSA-N -1 1 357.884 4.261 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cc1 ZINC000084461068 1088466295 /nfs/dbraw/zinc/46/62/95/1088466295.db2.gz JIRTYFWOAPRMNT-UHFFFAOYSA-N -1 1 361.463 4.005 20 0 FIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007402803 1088512680 /nfs/dbraw/zinc/51/26/80/1088512680.db2.gz HVNWDVCLGXPESM-UHFFFAOYSA-N -1 1 361.206 4.011 20 0 FIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccccc3C(C)C)c2)n1 ZINC000468538965 1088553711 /nfs/dbraw/zinc/55/37/11/1088553711.db2.gz ZAOYJOMRRMAWMH-UHFFFAOYSA-N -1 1 367.474 4.376 20 0 FIADMM O=C([O-])c1ccc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1F ZINC000659789824 1088861207 /nfs/dbraw/zinc/86/12/07/1088861207.db2.gz VLZNTVSDUHZWKK-UFYCRDLUSA-N -1 1 355.409 4.019 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C)ccc2F)cc1 ZINC000066781109 1089174269 /nfs/dbraw/zinc/17/42/69/1089174269.db2.gz URDVIHMXLDRUHR-UHFFFAOYSA-N -1 1 370.453 4.392 20 0 FIADMM O=C(CSc1ccccc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613666495 1089254621 /nfs/dbraw/zinc/25/46/21/1089254621.db2.gz XZODSEXGTFFRAY-UHFFFAOYSA-N -1 1 359.838 4.167 20 0 FIADMM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613667357 1089257290 /nfs/dbraw/zinc/25/72/90/1089257290.db2.gz PRUSPYBJXJLKDM-UHFFFAOYSA-N -1 1 370.412 4.405 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000613667144 1089257807 /nfs/dbraw/zinc/25/78/07/1089257807.db2.gz JOQXSCKOSPUTKS-UHFFFAOYSA-N -1 1 366.179 4.481 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(c2cccc(Cl)c2)CC1 ZINC000613667867 1089279716 /nfs/dbraw/zinc/27/97/16/1089279716.db2.gz IXPDKJKNTKJAFQ-UHFFFAOYSA-N -1 1 353.809 4.106 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]3c3ccccc3Cl)nc2)[n-]c(=O)c1C ZINC000664480722 1089520239 /nfs/dbraw/zinc/52/02/39/1089520239.db2.gz SIQOBJQMJDAKIA-DOTOQJQBSA-N -1 1 366.852 4.482 20 0 FIADMM O=C(NCc1ccc(COc2ccccc2)cc1)c1c(F)ccc([O-])c1F ZINC000514891587 1089580752 /nfs/dbraw/zinc/58/07/52/1089580752.db2.gz VGFFLEWMFUXVSI-UHFFFAOYSA-N -1 1 369.367 4.179 20 0 FIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(-c2ccncc2)cc1 ZINC000377630404 1089593340 /nfs/dbraw/zinc/59/33/40/1089593340.db2.gz RIXHKUVMQWCIDG-LBPRGKRZSA-N -1 1 354.356 4.223 20 0 FIADMM CCc1nc(SCc2cccc(OCC(F)(F)F)c2)[n-]c(=O)c1C ZINC000565242643 1089734406 /nfs/dbraw/zinc/73/44/06/1089734406.db2.gz QRDBZBLKQFTAFD-UHFFFAOYSA-N -1 1 358.385 4.286 20 0 FIADMM C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069002 1089752957 /nfs/dbraw/zinc/75/29/57/1089752957.db2.gz WKTZOXLVIGLXMR-IFXJQAMLSA-N -1 1 355.434 4.145 20 0 FIADMM C[C@H]1C[C@H]1c1ccc(CN(CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069002 1089752970 /nfs/dbraw/zinc/75/29/70/1089752970.db2.gz WKTZOXLVIGLXMR-IFXJQAMLSA-N -1 1 355.434 4.145 20 0 FIADMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000013340166 1089869388 /nfs/dbraw/zinc/86/93/88/1089869388.db2.gz WHNAOFLWTJCYCW-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM O=C(Nc1ccccc1)c1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001625893312 1089920543 /nfs/dbraw/zinc/92/05/43/1089920543.db2.gz FSXDJMCLBVHNHW-UHFFFAOYSA-N -1 1 368.339 4.175 20 0 FIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)cc21 ZINC000460823713 1089993688 /nfs/dbraw/zinc/99/36/88/1089993688.db2.gz LCQBSPUIARMBOY-UHFFFAOYSA-N -1 1 356.447 4.055 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc(C)c1F ZINC000460829814 1090005379 /nfs/dbraw/zinc/00/53/79/1090005379.db2.gz GTMBTMZTYLDHMS-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cnc(-c2ccccn2)s1 ZINC000182116403 1090053345 /nfs/dbraw/zinc/05/33/45/1090053345.db2.gz OKVFBOPPLMTFED-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM O=C([O-])c1ccccc1C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000363869494 1090423635 /nfs/dbraw/zinc/42/36/35/1090423635.db2.gz ZDGKWZPOYCHCIZ-UHFFFAOYSA-N -1 1 362.429 4.419 20 0 FIADMM CC(C)Cc1nnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)s1 ZINC000151985617 1090575012 /nfs/dbraw/zinc/57/50/12/1090575012.db2.gz NGYVPFQALOAJLV-UHFFFAOYSA-N -1 1 362.842 4.297 20 0 FIADMM O=C([O-])C[C@@H](NCc1cnc(CCc2ccccc2)s1)c1ccsc1 ZINC000417539642 1090921056 /nfs/dbraw/zinc/92/10/56/1090921056.db2.gz VVHXUKYEIXLWMD-QGZVFWFLSA-N -1 1 372.515 4.295 20 0 FIADMM COc1cc(C)ccc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417561707 1090921971 /nfs/dbraw/zinc/92/19/71/1090921971.db2.gz BLCMERMFXMBNDZ-INIZCTEOSA-N -1 1 367.367 4.328 20 0 FIADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)s2)cc1 ZINC000417579530 1090930798 /nfs/dbraw/zinc/93/07/98/1090930798.db2.gz AVPUHWNLEGVPCC-KDOFPFPSSA-N -1 1 361.507 4.470 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C3CCC3)cc2)c1OC ZINC000417588790 1090933597 /nfs/dbraw/zinc/93/35/97/1090933597.db2.gz VAKWMYCCSDWMKW-LJQANCHMSA-N -1 1 369.461 4.277 20 0 FIADMM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1OC ZINC000417602490 1090939459 /nfs/dbraw/zinc/93/94/59/1090939459.db2.gz OIWAJPBVFGBSLP-OAHLLOKOSA-N -1 1 363.841 4.053 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417620526 1090941506 /nfs/dbraw/zinc/94/15/06/1090941506.db2.gz GKLBGIWQAPVRNJ-GOEBONIOSA-N -1 1 366.244 4.405 20 0 FIADMM CCOc1cc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)cc(Cl)c1[O-] ZINC000651440521 1090941537 /nfs/dbraw/zinc/94/15/37/1090941537.db2.gz VJZYOAPCCXFVNS-SNVBAGLBSA-N -1 1 352.818 4.167 20 0 FIADMM COC(=O)c1sc([N-]c2ccn([C@@H](C)c3ccccc3)n2)nc1Cl ZINC000092683984 1091107519 /nfs/dbraw/zinc/10/75/19/1091107519.db2.gz SUAQDHHSQFRCNZ-JTQLQIEISA-N -1 1 362.842 4.133 20 0 FIADMM CC[C@@H](c1nnc([N-]C(=O)c2ccnc(F)c2F)s1)c1ccccc1 ZINC000193548808 1091294214 /nfs/dbraw/zinc/29/42/14/1091294214.db2.gz DUWGGBRYRQXCPM-LLVKDONJSA-N -1 1 360.389 4.006 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c(Cl)n1 ZINC000193819813 1091323085 /nfs/dbraw/zinc/32/30/85/1091323085.db2.gz JTCVEDXEZRIBGI-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM Cc1cccc2cc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)oc21 ZINC000149671359 1091399243 /nfs/dbraw/zinc/39/92/43/1091399243.db2.gz ZTNTYXLPSSDISD-UHFFFAOYSA-N -1 1 363.413 4.182 20 0 FIADMM CCc1cc2c(CNc3cnn(C4CCCC4)c3C)cc(=O)oc2cc1[O-] ZINC000194630282 1091400178 /nfs/dbraw/zinc/40/01/78/1091400178.db2.gz NDSKQWZXQIEUIL-UHFFFAOYSA-N -1 1 367.449 4.293 20 0 FIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1nc(Cl)ccc1F ZINC000759887635 1091416508 /nfs/dbraw/zinc/41/65/08/1091416508.db2.gz BFJMDLONKNANMW-UHFFFAOYSA-N -1 1 365.536 4.167 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C(C)C)no3)c2)c1 ZINC000545554202 1091433455 /nfs/dbraw/zinc/43/34/55/1091433455.db2.gz KQWPWUJLVJHBIX-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc(Cl)cc1 ZINC000047417267 1091713816 /nfs/dbraw/zinc/71/38/16/1091713816.db2.gz NWZBUCUNAFJKSD-UHFFFAOYSA-N -1 1 350.852 4.264 20 0 FIADMM COC(=O)c1c[n-]c(SCCCCOc2cccc(C(F)(F)F)c2)n1 ZINC000432668879 1092043513 /nfs/dbraw/zinc/04/35/13/1092043513.db2.gz LEDFANLTMIKYJZ-UHFFFAOYSA-N -1 1 374.384 4.166 20 0 FIADMM CC(C)n1c(CCNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)n[n-]c1=S ZINC000067072625 1092844430 /nfs/dbraw/zinc/84/44/30/1092844430.db2.gz IWIVUZPJLQZKEW-UONOGXRCSA-N -1 1 352.548 4.033 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000442955154 1092872972 /nfs/dbraw/zinc/87/29/72/1092872972.db2.gz JJZQCMBMRBFGME-OAHLLOKOSA-N -1 1 359.853 4.149 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000442967363 1092893933 /nfs/dbraw/zinc/89/39/33/1092893933.db2.gz PYRZMSFCEWSCPQ-RISCZKNCSA-N -1 1 363.816 4.212 20 0 FIADMM COc1cc(-c2nc(Cc3cccc(Cl)c3)no2)cc(Cl)c1[O-] ZINC000443082936 1092940892 /nfs/dbraw/zinc/94/08/92/1092940892.db2.gz BHRPUJQOYRZGAY-UHFFFAOYSA-N -1 1 351.189 4.348 20 0 FIADMM COc1cc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)cc(Cl)c1[O-] ZINC000443105631 1092944124 /nfs/dbraw/zinc/94/41/24/1092944124.db2.gz CDPQBAZXMPUERH-LLVKDONJSA-N -1 1 353.768 4.151 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)cc(Cl)c1[O-] ZINC000443126532 1092955075 /nfs/dbraw/zinc/95/50/75/1092955075.db2.gz BATODDNUDIHMJX-GHMZBOCLSA-N -1 1 363.816 4.341 20 0 FIADMM COCc1c2ccccc2oc1C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000500867875 1092959980 /nfs/dbraw/zinc/95/99/80/1092959980.db2.gz XOKSSFXQKAZCST-UHFFFAOYSA-N -1 1 367.430 4.013 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1Cl ZINC000521901309 1092963060 /nfs/dbraw/zinc/96/30/60/1092963060.db2.gz DSVLNCRRXPDITO-UHFFFAOYSA-N -1 1 350.871 4.049 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ncccc23)cc1Cl ZINC000432950304 1092983393 /nfs/dbraw/zinc/98/33/93/1092983393.db2.gz QKDNBOHPKCXYQQ-UHFFFAOYSA-N -1 1 362.838 4.006 20 0 FIADMM COc1cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)cc(Cl)c1[O-] ZINC000443211778 1092985726 /nfs/dbraw/zinc/98/57/26/1092985726.db2.gz MCLYGHBDYCKHCC-UHFFFAOYSA-N -1 1 371.702 4.185 20 0 FIADMM CCOc1cc(-c2nc(Cc3ccc(OC)cc3)no2)cc(Cl)c1[O-] ZINC000191166954 1093082290 /nfs/dbraw/zinc/08/22/90/1093082290.db2.gz WALGUIFHCVHIOU-UHFFFAOYSA-N -1 1 360.797 4.094 20 0 FIADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Br)c([O-])c1 ZINC000388937291 1093118931 /nfs/dbraw/zinc/11/89/31/1093118931.db2.gz RHTDUBDKWVAOIX-UHFFFAOYSA-N -1 1 374.156 4.104 20 0 FIADMM Oc1ccc(F)c(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1F ZINC000512683578 1093136190 /nfs/dbraw/zinc/13/61/90/1093136190.db2.gz URVPKLZHNLDDOB-NSHDSACASA-N -1 1 372.337 4.058 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1Cl ZINC000443469337 1093193378 /nfs/dbraw/zinc/19/33/78/1093193378.db2.gz QZHDHVJCMWVVAD-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM O=C(c1cc(Nc2cc([O-])c(F)c(F)c2)ccc1F)N1CCCCC1 ZINC001211879202 1093349878 /nfs/dbraw/zinc/34/98/78/1093349878.db2.gz CPEMHVDJGZIUSX-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM [O-]c1cccc(CN[C@H]2COc3cc(F)c(Br)cc32)c1Cl ZINC000645177988 1093370885 /nfs/dbraw/zinc/37/08/85/1093370885.db2.gz VLCZTACEBLNCEI-LBPRGKRZSA-N -1 1 372.621 4.171 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C ZINC000550556231 1093401086 /nfs/dbraw/zinc/40/10/86/1093401086.db2.gz DRBWQBREMGTBTK-UHFFFAOYSA-N -1 1 358.246 4.305 20 0 FIADMM Cc1cccc(OCCCCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000512988733 1093628607 /nfs/dbraw/zinc/62/86/07/1093628607.db2.gz LHNZABSJCKAWME-UHFFFAOYSA-N -1 1 355.463 4.056 20 0 FIADMM CC/C(=C\C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000729014165 1093918482 /nfs/dbraw/zinc/91/84/82/1093918482.db2.gz AAEHCWWDFVUFDV-GXDHUFHOSA-N -1 1 350.370 4.035 20 0 FIADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000414438117 1094721077 /nfs/dbraw/zinc/72/10/77/1094721077.db2.gz CWGNEGPJSQBVTJ-UHFFFAOYSA-N -1 1 352.887 4.132 20 0 FIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000436020541 1098647645 /nfs/dbraw/zinc/64/76/45/1098647645.db2.gz QLNHITYYGIIZCD-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM O=S(=O)([N-]C[C@H](c1ccccc1)C1CC1)c1cc2cc(F)ccc2o1 ZINC001211981559 1098730602 /nfs/dbraw/zinc/73/06/02/1098730602.db2.gz HQHJRQDWCUZNAF-QGZVFWFLSA-N -1 1 359.422 4.044 20 0 FIADMM O=C(CCc1ccccc1Br)Nc1ccc([O-])c(Cl)c1 ZINC000533081685 1098749179 /nfs/dbraw/zinc/74/91/79/1098749179.db2.gz BSWPUJCVAXWKNF-UHFFFAOYSA-N -1 1 354.631 4.379 20 0 FIADMM COc1cc(C(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000505760354 1098756998 /nfs/dbraw/zinc/75/69/98/1098756998.db2.gz QFLZELQRQTVUFK-MLCYQJTMSA-N -1 1 366.244 4.373 20 0 FIADMM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[N-]c1nncs1 ZINC000436137667 1098764132 /nfs/dbraw/zinc/76/41/32/1098764132.db2.gz JRKYZEVCBBWGKJ-UHFFFAOYSA-N -1 1 355.206 4.061 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Cl)c1 ZINC000436149461 1098772568 /nfs/dbraw/zinc/77/25/68/1098772568.db2.gz DUSMXMMORRCZCN-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000515630316 1098776760 /nfs/dbraw/zinc/77/67/60/1098776760.db2.gz YCCSMNVIJVHUOM-UHFFFAOYSA-N -1 1 365.454 4.205 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1 ZINC000515633974 1098782091 /nfs/dbraw/zinc/78/20/91/1098782091.db2.gz NVMLFMQOMYTOSB-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM CCc1cc(=O)[n-]c(SCCCOc2cccc(C(F)(F)F)c2)n1 ZINC000436212522 1098817995 /nfs/dbraw/zinc/81/79/95/1098817995.db2.gz UZDSABCGIPQLOH-UHFFFAOYSA-N -1 1 358.385 4.325 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000436480140 1099041731 /nfs/dbraw/zinc/04/17/31/1099041731.db2.gz ZAQAGKKPQDITLY-UHFFFAOYSA-N -1 1 356.369 4.105 20 0 FIADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436492934 1099054442 /nfs/dbraw/zinc/05/44/42/1099054442.db2.gz SQILNJPMIXGADJ-PGRDOPGGSA-N -1 1 361.441 4.443 20 0 FIADMM O=C(NCc1ccccc1-c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436511840 1099072036 /nfs/dbraw/zinc/07/20/36/1099072036.db2.gz IBOIYZDONCRQTO-UHFFFAOYSA-N -1 1 365.816 4.212 20 0 FIADMM CCCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436519585 1099075630 /nfs/dbraw/zinc/07/56/30/1099075630.db2.gz YJUCPOFAYGZWTP-CQSZACIVSA-N -1 1 374.868 4.315 20 0 FIADMM O=C(NCC1(c2ccccc2)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000436519164 1099075728 /nfs/dbraw/zinc/07/57/28/1099075728.db2.gz VUTBDBDGMWSGTR-UHFFFAOYSA-N -1 1 361.441 4.024 20 0 FIADMM CCOc1cc(-c2nc(-c3nccc4[nH]ccc43)no2)cc(Cl)c1[O-] ZINC000436521498 1099078284 /nfs/dbraw/zinc/07/82/84/1099078284.db2.gz FHPNZYOXHDOSCP-UHFFFAOYSA-N -1 1 356.769 4.038 20 0 FIADMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc2ccccc2cc1[O-] ZINC000436522085 1099078741 /nfs/dbraw/zinc/07/87/41/1099078741.db2.gz RJSBBEBKWGZTIM-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCC[C@@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436522815 1099078943 /nfs/dbraw/zinc/07/89/43/1099078943.db2.gz XEWAJEQXMJIXIY-CMPLNLGQSA-N -1 1 352.818 4.167 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000436517447 1099092584 /nfs/dbraw/zinc/09/25/84/1099092584.db2.gz ZUPDNANQHMMUPT-UHFFFAOYSA-N -1 1 373.714 4.103 20 0 FIADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(F)cc(Cl)c1[O-] ZINC000436516064 1099092637 /nfs/dbraw/zinc/09/26/37/1099092637.db2.gz UKSGBVCWMMRWIX-UHFFFAOYSA-N -1 1 355.703 4.251 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)c([O-])c1 ZINC000436551222 1099097868 /nfs/dbraw/zinc/09/78/68/1099097868.db2.gz XMJDZWKBUZUZMS-UHFFFAOYSA-N -1 1 352.390 4.432 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000436554319 1099100168 /nfs/dbraw/zinc/10/01/68/1099100168.db2.gz KEYJLXFNWYTUGQ-UHFFFAOYSA-N -1 1 361.228 4.379 20 0 FIADMM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(Cl)cc3[O-])nc2c1 ZINC000436541718 1099106741 /nfs/dbraw/zinc/10/67/41/1099106741.db2.gz XYXYCBZJYRTWMT-INIZCTEOSA-N -1 1 355.825 4.208 20 0 FIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(Cl)cc3[O-])[nH]c2c1 ZINC000436541718 1099106753 /nfs/dbraw/zinc/10/67/53/1099106753.db2.gz XYXYCBZJYRTWMT-INIZCTEOSA-N -1 1 355.825 4.208 20 0 FIADMM O=C(c1ccccc1[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000436557392 1099107655 /nfs/dbraw/zinc/10/76/55/1099107655.db2.gz NRQABQXWTHDAPM-UHFFFAOYSA-N -1 1 367.426 4.072 20 0 FIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CCc2ccccc2C1 ZINC000436544085 1099110723 /nfs/dbraw/zinc/11/07/23/1099110723.db2.gz KCEQNBFFLIQHMF-KRWDZBQOSA-N -1 1 373.880 4.464 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000436585873 1099133666 /nfs/dbraw/zinc/13/36/66/1099133666.db2.gz AAJCPUXKOPLSNM-CQSZACIVSA-N -1 1 366.642 4.395 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000436610276 1099143260 /nfs/dbraw/zinc/14/32/60/1099143260.db2.gz UCRZMHHUXLPHOJ-YPAWHYETSA-N -1 1 373.452 4.190 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(NC3CCOCC3)cc2)c([O-])c1 ZINC000436634824 1099164758 /nfs/dbraw/zinc/16/47/58/1099164758.db2.gz LYSIWYDWGNUXDV-UHFFFAOYSA-N -1 1 354.450 4.359 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1cccc(Cl)c1 ZINC000436622607 1099169165 /nfs/dbraw/zinc/16/91/65/1099169165.db2.gz DKUQOKKGXBCZFI-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436677105 1099210379 /nfs/dbraw/zinc/21/03/79/1099210379.db2.gz AVTNPVSCPHTESW-MRXNPFEDSA-N -1 1 361.825 4.040 20 0 FIADMM COc1cc(SC)ccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000436709535 1099226098 /nfs/dbraw/zinc/22/60/98/1099226098.db2.gz OBSLFBXSSUGJAK-UHFFFAOYSA-N -1 1 368.252 4.138 20 0 FIADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436709379 1099226957 /nfs/dbraw/zinc/22/69/57/1099226957.db2.gz VVJMMXFAPKDWAW-CYBMUJFWSA-N -1 1 362.267 4.166 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000436701124 1099234991 /nfs/dbraw/zinc/23/49/91/1099234991.db2.gz BXSOXMXYRRHUNF-NRFANRHFSA-N -1 1 353.368 4.395 20 0 FIADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000436714788 1099244998 /nfs/dbraw/zinc/24/49/98/1099244998.db2.gz VDUAZDYXOOVNIY-TZMCWYRMSA-N -1 1 360.251 4.173 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000436742032 1099262254 /nfs/dbraw/zinc/26/22/54/1099262254.db2.gz VHKWDSBTFWYIFK-UHFFFAOYSA-N -1 1 356.372 4.172 20 0 FIADMM CC(C)OCc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436727194 1099265825 /nfs/dbraw/zinc/26/58/25/1099265825.db2.gz YDHVWYASAKNJRM-UHFFFAOYSA-N -1 1 364.239 4.332 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436728067 1099265913 /nfs/dbraw/zinc/26/59/13/1099265913.db2.gz HJUQVSCMCDNRQP-QGZVFWFLSA-N -1 1 355.743 4.035 20 0 FIADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436759102 1099273467 /nfs/dbraw/zinc/27/34/67/1099273467.db2.gz SGAJILZRVYCUJG-JTQLQIEISA-N -1 1 352.203 4.127 20 0 FIADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436759103 1099274215 /nfs/dbraw/zinc/27/42/15/1099274215.db2.gz SGAJILZRVYCUJG-SNVBAGLBSA-N -1 1 352.203 4.127 20 0 FIADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436758772 1099274312 /nfs/dbraw/zinc/27/43/12/1099274312.db2.gz ORTUNWFPFVVIGC-SECBINFHSA-N -1 1 365.767 4.281 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccc(F)cc1)C1CC1 ZINC000436748864 1099282473 /nfs/dbraw/zinc/28/24/73/1099282473.db2.gz VSORBWYDGAZMDT-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436750623 1099285403 /nfs/dbraw/zinc/28/54/03/1099285403.db2.gz HEKWLIHRYQGSCI-GFCCVEGCSA-N -1 1 365.351 4.049 20 0 FIADMM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436752437 1099288741 /nfs/dbraw/zinc/28/87/41/1099288741.db2.gz AGANCXXXXVGGIQ-UHFFFAOYSA-N -1 1 365.364 4.428 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1Cc1ccccc1 ZINC000436754452 1099290138 /nfs/dbraw/zinc/29/01/38/1099290138.db2.gz HKPSFMQXFZUNRR-OAHLLOKOSA-N -1 1 360.251 4.002 20 0 FIADMM COc1cc(Cl)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1C ZINC000436778169 1099298339 /nfs/dbraw/zinc/29/83/39/1099298339.db2.gz FYYSSZYQZKYRBL-UHFFFAOYSA-N -1 1 356.205 4.277 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc2ccccc2cc1[O-] ZINC000436778074 1099298899 /nfs/dbraw/zinc/29/88/99/1099298899.db2.gz FESFMZYOSXDNPO-JOCHJYFZSA-N -1 1 354.409 4.460 20 0 FIADMM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc2ccccc2cc1[O-] ZINC000436783200 1099314495 /nfs/dbraw/zinc/31/44/95/1099314495.db2.gz LDOJFSFWRVPQRJ-UHFFFAOYSA-N -1 1 374.440 4.470 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(CCCn2ccnc2)CC1 ZINC000436808942 1099334697 /nfs/dbraw/zinc/33/46/97/1099334697.db2.gz MYSXHQSQMVHEDO-UHFFFAOYSA-N -1 1 363.461 4.075 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1c1ccc(Br)s1 ZINC000436833500 1099344555 /nfs/dbraw/zinc/34/45/55/1099344555.db2.gz MGJGQICYKSIVIE-LBPRGKRZSA-N -1 1 370.243 4.333 20 0 FIADMM CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(Cl)c1 ZINC000436821173 1099348558 /nfs/dbraw/zinc/34/85/58/1099348558.db2.gz VQGVQARAKDSROX-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM Cc1cccc([C@@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)c1 ZINC000436850443 1099369334 /nfs/dbraw/zinc/36/93/34/1099369334.db2.gz HZBQFVXUOAMGHF-CQSZACIVSA-N -1 1 360.251 4.093 20 0 FIADMM CCOc1cc(-c2noc([C@H](c3ccccc3)N(C)C)n2)cc(Cl)c1[O-] ZINC000436869332 1099378112 /nfs/dbraw/zinc/37/81/12/1099378112.db2.gz CTPMZUQBVUCFSJ-INIZCTEOSA-N -1 1 373.840 4.145 20 0 FIADMM CN(C)[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1cccc(Cl)c1 ZINC000436875569 1099389738 /nfs/dbraw/zinc/38/97/38/1099389738.db2.gz YIPDYALABFOUJT-HNNXBMFYSA-N -1 1 364.232 4.400 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cncn3-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000436875924 1099390085 /nfs/dbraw/zinc/39/00/85/1099390085.db2.gz ZBWDIKVNEKNEEH-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1-c1c(F)cccc1F ZINC000436877768 1099394446 /nfs/dbraw/zinc/39/44/46/1099394446.db2.gz HLUJKVQZOWKKLP-UHFFFAOYSA-N -1 1 372.306 4.021 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000436879159 1099394540 /nfs/dbraw/zinc/39/45/40/1099394540.db2.gz JFSOCKJNXFKSNP-MRXNPFEDSA-N -1 1 351.830 4.115 20 0 FIADMM Cc1noc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])n1 ZINC000436884827 1099402630 /nfs/dbraw/zinc/40/26/30/1099402630.db2.gz DSJYNJRSJSCHFF-UHFFFAOYSA-N -1 1 364.188 4.310 20 0 FIADMM CC(C)Cc1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436890751 1099407476 /nfs/dbraw/zinc/40/74/76/1099407476.db2.gz GFYFPMPGJKCMIE-UHFFFAOYSA-N -1 1 373.359 4.171 20 0 FIADMM Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436889526 1099407642 /nfs/dbraw/zinc/40/76/42/1099407642.db2.gz QSDBCNLUHZCRBP-UHFFFAOYSA-N -1 1 369.852 4.181 20 0 FIADMM CN(Cc1cc2ccccc2o1)C(=O)c1cc(Br)ccc1[O-] ZINC000436917940 1099433019 /nfs/dbraw/zinc/43/30/19/1099433019.db2.gz DDZLVHNSNGAOMO-UHFFFAOYSA-N -1 1 360.207 4.173 20 0 FIADMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(C)c1 ZINC000516412508 1099458593 /nfs/dbraw/zinc/45/85/93/1099458593.db2.gz TUHZIEBLGBVFEG-UHFFFAOYSA-N -1 1 361.463 4.177 20 0 FIADMM Cc1ccccc1C1=CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436961866 1099462804 /nfs/dbraw/zinc/46/28/04/1099462804.db2.gz VKQSEVCLIPSFKO-UHFFFAOYSA-N -1 1 358.235 4.003 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436980725 1099488643 /nfs/dbraw/zinc/48/86/43/1099488643.db2.gz ORQYUQYBNBMBCE-ZIAGYGMSSA-N -1 1 374.278 4.481 20 0 FIADMM O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1c([O-])cccc1F ZINC000436988778 1099493650 /nfs/dbraw/zinc/49/36/50/1099493650.db2.gz MNTWWHNKPXPBFV-KRWDZBQOSA-N -1 1 370.811 4.294 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2cc(Cl)c3c(c2)OCCCO3)no1 ZINC000436995747 1099500309 /nfs/dbraw/zinc/50/03/09/1099500309.db2.gz DQOWCNSFBNZJIB-UHFFFAOYSA-N -1 1 362.744 4.063 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000029997808 1099502840 /nfs/dbraw/zinc/50/28/40/1099502840.db2.gz FZMWVTBCHHTUFB-DOTOQJQBSA-N -1 1 372.538 4.343 20 0 FIADMM C[C@@H](CC(=O)[O-])N(C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000516492469 1099523592 /nfs/dbraw/zinc/52/35/92/1099523592.db2.gz KRZBBLUKQDILAP-JTQLQIEISA-N -1 1 358.385 4.124 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(Cl)cc1 ZINC001212093804 1099586919 /nfs/dbraw/zinc/58/69/19/1099586919.db2.gz KEPXIDXNTUDWQF-MRVPVSSYSA-N -1 1 366.216 4.311 20 0 FIADMM COc1ccc(C(=O)[C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)cc1Cl ZINC000516755296 1099774731 /nfs/dbraw/zinc/77/47/31/1099774731.db2.gz FUKCBYRBSWZPFH-SSDOTTSWSA-N -1 1 374.796 4.145 20 0 FIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(F)c(F)cc3F)s2)c1 ZINC000437352480 1099821871 /nfs/dbraw/zinc/82/18/71/1099821871.db2.gz DVYNGQZILSUIKO-UHFFFAOYSA-N -1 1 363.364 4.492 20 0 FIADMM CCOc1cc(C(=O)N2CCn3c(cc4ccccc43)C2)cc(Cl)c1[O-] ZINC000428684194 1100037000 /nfs/dbraw/zinc/03/70/00/1100037000.db2.gz OACYLWVBKNRUQV-UHFFFAOYSA-N -1 1 370.836 4.055 20 0 FIADMM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000437612696 1100037751 /nfs/dbraw/zinc/03/77/51/1100037751.db2.gz VYBFJOHYTIRSFP-LLVKDONJSA-N -1 1 368.355 4.110 20 0 FIADMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000437908716 1100308344 /nfs/dbraw/zinc/30/83/44/1100308344.db2.gz OHLAAOPSJWHPOB-UHFFFAOYSA-N -1 1 363.417 4.200 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)ccc1OC(C)C ZINC000425969517 1100556719 /nfs/dbraw/zinc/55/67/19/1100556719.db2.gz AVFYZBJZQWSNCT-UHFFFAOYSA-N -1 1 373.474 4.102 20 0 FIADMM Cc1sc2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)[n-]c(=O)c2c1C ZINC000426121485 1100875005 /nfs/dbraw/zinc/87/50/05/1100875005.db2.gz AZUPTYVJOXAGHQ-NSHDSACASA-N -1 1 367.474 4.305 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1C ZINC000438712529 1100875408 /nfs/dbraw/zinc/87/54/08/1100875408.db2.gz DVCLIKSHDJGWPI-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1Br ZINC000438807671 1100931059 /nfs/dbraw/zinc/93/10/59/1100931059.db2.gz SKJXMBUBLKVZAG-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(Cl)c(Cl)c1 ZINC000509591373 1100988172 /nfs/dbraw/zinc/98/81/72/1100988172.db2.gz PXHABQKEMPYKNF-UHFFFAOYSA-N -1 1 358.246 4.119 20 0 FIADMM CC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000438982915 1101065203 /nfs/dbraw/zinc/06/52/03/1101065203.db2.gz AFENUHQEXSBJCC-UHFFFAOYSA-N -1 1 361.397 4.426 20 0 FIADMM CC(C)=CCOc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000439069358 1101135369 /nfs/dbraw/zinc/13/53/69/1101135369.db2.gz JOAYCSJUTYLEMZ-UHFFFAOYSA-N -1 1 363.417 4.380 20 0 FIADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000518684436 1101421507 /nfs/dbraw/zinc/42/15/07/1101421507.db2.gz BWPCDHKQJUZKPK-UHFFFAOYSA-N -1 1 370.327 4.194 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1F ZINC000475741402 1101548104 /nfs/dbraw/zinc/54/81/04/1101548104.db2.gz WUFXZPNYGGQGPD-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000518833241 1101623051 /nfs/dbraw/zinc/62/30/51/1101623051.db2.gz GYYPBETUUAEIIN-UHFFFAOYSA-N -1 1 362.451 4.038 20 0 FIADMM Cc1cccc(NC(=O)[C@@H](Sc2nc(C)c(C)c(=O)[n-]2)C(C)C)c1C ZINC000537417359 1101763090 /nfs/dbraw/zinc/76/30/90/1101763090.db2.gz ULKXMXTVUOBEIV-INIZCTEOSA-N -1 1 359.495 4.171 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(Oc3ccccc3)cn2)c(F)c1 ZINC000537441462 1101770478 /nfs/dbraw/zinc/77/04/78/1101770478.db2.gz SAAADAGQVJSVCH-UHFFFAOYSA-N -1 1 369.327 4.002 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccccc1 ZINC000475829116 1102044968 /nfs/dbraw/zinc/04/49/68/1102044968.db2.gz KZCNNMBROVZOHQ-UHFFFAOYSA-N -1 1 367.295 4.108 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1C ZINC000032595225 1102045868 /nfs/dbraw/zinc/04/58/68/1102045868.db2.gz BVNKISUUTWRBHF-UHFFFAOYSA-N -1 1 374.462 4.459 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000475833509 1102122220 /nfs/dbraw/zinc/12/22/20/1102122220.db2.gz NAHYFYYDVFBQBT-UHFFFAOYSA-N -1 1 364.275 4.448 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000506792583 1102122394 /nfs/dbraw/zinc/12/23/94/1102122394.db2.gz BOVNCNACCJZRAA-UHFFFAOYSA-N -1 1 367.470 4.343 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(Cc2ccccc2Cl)CC1 ZINC000440310278 1102187375 /nfs/dbraw/zinc/18/73/75/1102187375.db2.gz AQSNFFNUFAIVST-UHFFFAOYSA-N -1 1 367.836 4.397 20 0 FIADMM O=Cc1ccc(-c2ccc(C(=O)Nc3cc(F)cc(F)c3[O-])cc2)s1 ZINC001142546215 1102190688 /nfs/dbraw/zinc/19/06/88/1102190688.db2.gz SCPJZDQEVZHGQH-UHFFFAOYSA-N -1 1 359.353 4.464 20 0 FIADMM Cc1ccc(-c2ccc(CNCc3ccc(C(=O)[O-])c(C)n3)s2)cc1 ZINC000426639700 1102225729 /nfs/dbraw/zinc/22/57/29/1102225729.db2.gz XYLRECCKTOYRRR-UHFFFAOYSA-N -1 1 352.459 4.415 20 0 FIADMM O=C([N-]c1c2nsnc2ccc1Cl)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000321747141 1102302500 /nfs/dbraw/zinc/30/25/00/1102302500.db2.gz AIZYUDOKSSLJAH-UHFFFAOYSA-N -1 1 369.189 4.159 20 0 FIADMM O=C(CCCOc1ccccc1Br)Nc1ccc(F)cc1[O-] ZINC000532621955 1102597483 /nfs/dbraw/zinc/59/74/83/1102597483.db2.gz MKHJUVMQUNIQLK-UHFFFAOYSA-N -1 1 368.202 4.092 20 0 FIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000122675592 1102609601 /nfs/dbraw/zinc/60/96/01/1102609601.db2.gz JXNTYLBFSHLAQT-UHFFFAOYSA-N -1 1 372.899 4.249 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)ccc1F ZINC000061122725 1102632191 /nfs/dbraw/zinc/63/21/91/1102632191.db2.gz QGVNELCEQOABFM-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C(CCc1cc(Br)cs1)Nc1ccc([O-])c(Cl)c1 ZINC000111666031 1102696479 /nfs/dbraw/zinc/69/64/79/1102696479.db2.gz FUCFDLVZYYSZMA-UHFFFAOYSA-N -1 1 360.660 4.441 20 0 FIADMM Cc1cc(F)ccc1-c1ccc(CN[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426705888 1102932482 /nfs/dbraw/zinc/93/24/82/1102932482.db2.gz QOUBAXGPJPYBHG-LJQANCHMSA-N -1 1 353.393 4.180 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000426688910 1102933833 /nfs/dbraw/zinc/93/38/33/1102933833.db2.gz SJYGIORBMNGCCB-ZDUSSCGKSA-N -1 1 360.262 4.369 20 0 FIADMM Cc1c(F)cccc1-c1ccc(CNCc2ccccc2CC(=O)[O-])o1 ZINC000426690442 1102935385 /nfs/dbraw/zinc/93/53/85/1102935385.db2.gz ASWXXLUPLQDDPP-UHFFFAOYSA-N -1 1 353.393 4.311 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426720733 1102939362 /nfs/dbraw/zinc/93/93/62/1102939362.db2.gz OTILTCJFDSRHKN-BLLLJJGKSA-N -1 1 358.488 4.423 20 0 FIADMM Cc1ccc([C@@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])cc1 ZINC000426710736 1102947411 /nfs/dbraw/zinc/94/74/11/1102947411.db2.gz KUFWOORMYKHJIQ-HXUWFJFHSA-N -1 1 350.393 4.112 20 0 FIADMM Cc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000426753576 1102969222 /nfs/dbraw/zinc/96/92/22/1102969222.db2.gz JHTYFXQBUFMEHD-CXAGYDPISA-N -1 1 362.267 4.309 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(-c3ccccc3)o2)c1 ZINC000426782417 1102983569 /nfs/dbraw/zinc/98/35/69/1102983569.db2.gz GNOOJBDTVLXMFB-IBGZPJMESA-N -1 1 351.402 4.261 20 0 FIADMM CCn1nc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c2ccccc21 ZINC000426805536 1102988437 /nfs/dbraw/zinc/98/84/37/1102988437.db2.gz CINRIIRTCDMTKH-LJQANCHMSA-N -1 1 365.477 4.485 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccccc1F ZINC000426799874 1102998461 /nfs/dbraw/zinc/99/84/61/1102998461.db2.gz JQPNNFVOTIPMEM-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc3cc(C)c(C)cc3o2)c1 ZINC000426804311 1103001766 /nfs/dbraw/zinc/00/17/66/1103001766.db2.gz SZTBRMOSQICYOB-IBGZPJMESA-N -1 1 353.418 4.364 20 0 FIADMM COc1ccc([C@@H](NCc2c(Cl)oc3ccccc32)C(=O)[O-])cc1F ZINC000426829502 1103003860 /nfs/dbraw/zinc/00/38/60/1103003860.db2.gz PMWWSFDAWKYWQB-MRXNPFEDSA-N -1 1 363.772 4.149 20 0 FIADMM O=C([O-])[C@H](NCc1ccsc1Cl)c1ccc(Br)cc1 ZINC000426810114 1103005517 /nfs/dbraw/zinc/00/55/17/1103005517.db2.gz HUGNXDABGGXDBV-LLVKDONJSA-N -1 1 360.660 4.080 20 0 FIADMM O=C([O-])C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000426818259 1103013507 /nfs/dbraw/zinc/01/35/07/1103013507.db2.gz RJSBNGDSEMMGBB-QGZVFWFLSA-N -1 1 355.825 4.036 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(CC(C)C)cc2)c1OC ZINC000426824331 1103020455 /nfs/dbraw/zinc/02/04/55/1103020455.db2.gz HNEPCEWHRNWJAQ-LJQANCHMSA-N -1 1 371.477 4.208 20 0 FIADMM COc1ccc([C@H](NCc2cc(Cl)ccc2Cl)C(=O)[O-])cc1F ZINC000426837652 1103030436 /nfs/dbraw/zinc/03/04/36/1103030436.db2.gz XYNVDTHBAYVGJU-HNNXBMFYSA-N -1 1 358.196 4.057 20 0 FIADMM COc1ccc([C@H](NCc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1F ZINC000426831654 1103042199 /nfs/dbraw/zinc/04/21/99/1103042199.db2.gz GGYJFTIJSMFWPG-HNNXBMFYSA-N -1 1 358.196 4.057 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)cc(Cl)c1[O-] ZINC000426952184 1103124901 /nfs/dbraw/zinc/12/49/01/1103124901.db2.gz VLOXJXAPJXCJBL-WWGRRREGSA-N -1 1 359.853 4.461 20 0 FIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)cc1 ZINC000477129009 1103158786 /nfs/dbraw/zinc/15/87/86/1103158786.db2.gz XPNZARBADVVLRB-UHFFFAOYSA-N -1 1 355.825 4.352 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1 ZINC000532765416 1103194353 /nfs/dbraw/zinc/19/43/53/1103194353.db2.gz RYPXWZSTQOWBFB-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM CCOc1ccccc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551420652 1103202586 /nfs/dbraw/zinc/20/25/86/1103202586.db2.gz JMFBPVHAAHIMQH-MRXNPFEDSA-N -1 1 367.367 4.410 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000427104959 1103258723 /nfs/dbraw/zinc/25/87/23/1103258723.db2.gz SWMXESIDSDWWKT-UHFFFAOYSA-N -1 1 350.490 4.127 20 0 FIADMM Cc1c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c2ccccc2n1C ZINC000551466937 1103259444 /nfs/dbraw/zinc/25/94/44/1103259444.db2.gz JPYZGUYKIBHOIM-UHFFFAOYSA-N -1 1 352.818 4.080 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)cc2s1 ZINC000427116485 1103263085 /nfs/dbraw/zinc/26/30/85/1103263085.db2.gz WTBZCQSTNAOXHE-UHFFFAOYSA-N -1 1 370.402 4.007 20 0 FIADMM CCc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1C ZINC000477264960 1103288868 /nfs/dbraw/zinc/28/88/68/1103288868.db2.gz IUERALGQJWEWLS-UHFFFAOYSA-N -1 1 366.442 4.077 20 0 FIADMM Cc1oc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1C(=O)[O-] ZINC000519599895 1103311247 /nfs/dbraw/zinc/31/12/47/1103311247.db2.gz DYDPUKAOFIFCCY-JTQLQIEISA-N -1 1 374.384 4.141 20 0 FIADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000083063680 1103357810 /nfs/dbraw/zinc/35/78/10/1103357810.db2.gz SQWLHPMQMCOYOB-QWHCGFSZSA-N -1 1 369.852 4.253 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(Cl)cc1F ZINC000507565299 1103506778 /nfs/dbraw/zinc/50/67/78/1103506778.db2.gz JDYCWMAWSPQDSK-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM Cc1ccc(Cl)c2sc(NC(=O)c3c(F)ccc([O-])c3F)nc21 ZINC000519794511 1103858907 /nfs/dbraw/zinc/85/89/07/1103858907.db2.gz UXDWKVKABVLNDN-UHFFFAOYSA-N -1 1 354.765 4.494 20 0 FIADMM CC[C@@H](C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000440796293 1103948817 /nfs/dbraw/zinc/94/88/17/1103948817.db2.gz GCJJTJIHQGXBCR-PXAZEXFGSA-N -1 1 369.852 4.094 20 0 FIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000533939786 1103966525 /nfs/dbraw/zinc/96/65/25/1103966525.db2.gz VVDSERBXEUUJHK-UHFFFAOYSA-N -1 1 365.405 4.425 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)cc1 ZINC000536302834 1104637835 /nfs/dbraw/zinc/63/78/35/1104637835.db2.gz RYXQAQLXSJOFKP-UHFFFAOYSA-N -1 1 368.458 4.257 20 0 FIADMM O=C([O-])[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2F)c2ccccc21 ZINC000417624654 1105024312 /nfs/dbraw/zinc/02/43/12/1105024312.db2.gz QKSQYBPYDBTGMM-HOCLYGCPSA-N -1 1 353.315 4.247 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000614622545 1105047757 /nfs/dbraw/zinc/04/77/57/1105047757.db2.gz UIIOCJLOUIFIRT-APPZFPTMSA-N -1 1 366.291 4.250 20 0 FIADMM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000427620097 1105112854 /nfs/dbraw/zinc/11/28/54/1105112854.db2.gz DSIVUODUIQGQIX-UHFFFAOYSA-N -1 1 374.746 4.499 20 0 FIADMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)[nH]c2c1 ZINC000427652289 1105229305 /nfs/dbraw/zinc/22/93/05/1105229305.db2.gz UGERBIDPOXVRCH-UHFFFAOYSA-N -1 1 362.263 4.040 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1csc2ccccc21 ZINC000507940668 1105272200 /nfs/dbraw/zinc/27/22/00/1105272200.db2.gz USUKPMARNCIKCD-UHFFFAOYSA-N -1 1 373.377 4.443 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3N3CCCC3)cc2s1 ZINC000427794381 1105278307 /nfs/dbraw/zinc/27/83/07/1105278307.db2.gz SZKITZPNQBCEDU-UHFFFAOYSA-N -1 1 373.503 4.006 20 0 FIADMM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cccc(F)c3[O-])c21 ZINC000530007253 1106747929 /nfs/dbraw/zinc/74/79/29/1106747929.db2.gz SKNUBZZMTCTLOA-UHFFFAOYSA-N -1 1 355.369 4.321 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c(C)s1 ZINC000530145521 1106860855 /nfs/dbraw/zinc/86/08/55/1106860855.db2.gz VFTCBSNJEANDTQ-UHFFFAOYSA-N -1 1 351.493 4.060 20 0 FIADMM C[C@@H](c1ccc(CN2CCc3occc3[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000530167183 1106876718 /nfs/dbraw/zinc/87/67/18/1106876718.db2.gz VNFSMWACEHUUGQ-ZBEGNZNMSA-N -1 1 353.340 4.129 20 0 FIADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Cl)cc1Br ZINC000530175425 1106905215 /nfs/dbraw/zinc/90/52/15/1106905215.db2.gz PHUACEOMLJGPPI-NXEZZACHSA-N -1 1 360.679 4.176 20 0 FIADMM CCOc1ccc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301341427 1106998497 /nfs/dbraw/zinc/99/84/97/1106998497.db2.gz GBOPGQXFAMQDDM-HNNXBMFYSA-N -1 1 364.449 4.433 20 0 FIADMM Cc1nc(-c2ccc(NCC3(c4ccc(F)cc4)CC3)nc2)[n-]c(=O)c1C ZINC000301358729 1107002998 /nfs/dbraw/zinc/00/29/98/1107002998.db2.gz LKGPPEWZKOVBEU-UHFFFAOYSA-N -1 1 364.424 4.144 20 0 FIADMM Cc1nc(-c2ccc(N(C)CCc3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000301408320 1107019605 /nfs/dbraw/zinc/01/96/05/1107019605.db2.gz WKSBYWFWGAHRHO-UHFFFAOYSA-N -1 1 368.868 4.193 20 0 FIADMM OC[C@@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)c1ccccc1 ZINC000301525551 1107058206 /nfs/dbraw/zinc/05/82/06/1107058206.db2.gz NBTSGZGKQHRYEX-CQSZACIVSA-N -1 1 350.205 4.189 20 0 FIADMM CCOc1cc(C)ccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301607108 1107084739 /nfs/dbraw/zinc/08/47/39/1107084739.db2.gz NOEAYLYOVZILGD-UHFFFAOYSA-N -1 1 364.449 4.180 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCCc4c(O)cccc43)nc2)[n-]c(=O)c1C ZINC000302742223 1107427682 /nfs/dbraw/zinc/42/76/82/1107427682.db2.gz ZMHUIDHBPSHBKO-QGZVFWFLSA-N -1 1 362.433 4.056 20 0 FIADMM COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2C)cc(Cl)c1[O-] ZINC000469893156 1107466788 /nfs/dbraw/zinc/46/67/88/1107466788.db2.gz ZFBJHRZYHLFCRN-UHFFFAOYSA-N -1 1 373.758 4.311 20 0 FIADMM O=C(Nc1ccncc1[O-])c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000531118225 1107577815 /nfs/dbraw/zinc/57/78/15/1107577815.db2.gz ATMSVUHVIVIHJM-UHFFFAOYSA-N -1 1 372.755 4.348 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1F ZINC000614743196 1107585775 /nfs/dbraw/zinc/58/57/75/1107585775.db2.gz UTDNCCPXHDZYGU-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CC(C)(C)c1ccncc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000665989414 1107589989 /nfs/dbraw/zinc/58/99/89/1107589989.db2.gz AHMNGKOGWLTREP-UHFFFAOYSA-N -1 1 352.356 4.034 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cc1 ZINC000029048013 1107597602 /nfs/dbraw/zinc/59/76/02/1107597602.db2.gz UPBHHHUFSHOYMH-UHFFFAOYSA-N -1 1 372.446 4.240 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2)cs1 ZINC000614769836 1107732595 /nfs/dbraw/zinc/73/25/95/1107732595.db2.gz XXZGCAUAYMBSSA-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2cc(-c3ccccc3)on2)[n-]1 ZINC000261400885 1107763001 /nfs/dbraw/zinc/76/30/01/1107763001.db2.gz LTYRYVLEOJFDBR-UHFFFAOYSA-N -1 1 353.325 4.148 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c2ccccc12 ZINC000614802847 1107880119 /nfs/dbraw/zinc/88/01/19/1107880119.db2.gz GKHLUGZIMFICNV-UHFFFAOYSA-N -1 1 370.455 4.259 20 0 FIADMM CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000531756403 1108121798 /nfs/dbraw/zinc/12/17/98/1108121798.db2.gz CMBMXUUEGDHNRO-UHFFFAOYSA-N -1 1 358.413 4.087 20 0 FIADMM CCOCc1nc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000453185173 1108254859 /nfs/dbraw/zinc/25/48/59/1108254859.db2.gz XPASKECRWBXRSW-UHFFFAOYSA-N -1 1 351.815 4.064 20 0 FIADMM COc1cc(-c2noc(/C=C/C(C)(C)C)n2)cc(Br)c1[O-] ZINC000445392605 1108707828 /nfs/dbraw/zinc/70/78/28/1108707828.db2.gz MYPTYEKTCUTBRI-AATRIKPKSA-N -1 1 353.216 4.273 20 0 FIADMM CC[C@]1(C)C[C@@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445392180 1108708116 /nfs/dbraw/zinc/70/81/16/1108708116.db2.gz LJSTVLVDYWSJKS-RFAUZJTJSA-N -1 1 353.216 4.117 20 0 FIADMM CCOc1cc(-c2noc(Cc3cccc(OC)c3)n2)cc(Cl)c1[O-] ZINC000445412896 1108721882 /nfs/dbraw/zinc/72/18/82/1108721882.db2.gz VIFLAKQEQYLGBJ-UHFFFAOYSA-N -1 1 360.797 4.094 20 0 FIADMM COc1cc(-c2noc([C@@H]3CCCCS3)n2)cc(Br)c1[O-] ZINC000445397441 1108725684 /nfs/dbraw/zinc/72/56/84/1108725684.db2.gz HXUWRILOXOJKFD-NSHDSACASA-N -1 1 371.256 4.172 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc(NC(C)=O)c3)n2)cc(Cl)c1[O-] ZINC000445422111 1108734989 /nfs/dbraw/zinc/73/49/89/1108734989.db2.gz KIDTUOXYLBUICD-UHFFFAOYSA-N -1 1 373.796 4.120 20 0 FIADMM CCOc1cc(-c2noc(COc3ccc(F)cc3)n2)cc(Cl)c1[O-] ZINC000445428696 1108739944 /nfs/dbraw/zinc/73/99/44/1108739944.db2.gz WMVQUIYOTMTULG-UHFFFAOYSA-N -1 1 364.760 4.212 20 0 FIADMM Cc1sc([C@H](C)NC(=O)c2cncc([O-])c2)nc1-c1ccc(Cl)cc1 ZINC000532287790 1108745906 /nfs/dbraw/zinc/74/59/06/1108745906.db2.gz JBGJCGVJTPYCET-JTQLQIEISA-N -1 1 373.865 4.364 20 0 FIADMM Cc1ccn(-c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2)n1 ZINC000445449098 1108750306 /nfs/dbraw/zinc/75/03/06/1108750306.db2.gz XXNZTGPFELECKJ-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445449108 1108750798 /nfs/dbraw/zinc/75/07/98/1108750798.db2.gz XXXKUOPGTCTXAD-XBXARRHUSA-N -1 1 358.781 4.283 20 0 FIADMM CCCN(CCC)C(=O)CCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450587 1108753859 /nfs/dbraw/zinc/75/38/59/1108753859.db2.gz UUWGRHGIMDGLLD-UHFFFAOYSA-N -1 1 365.861 4.067 20 0 FIADMM CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445446600 1108772226 /nfs/dbraw/zinc/77/22/26/1108772226.db2.gz MMIWXGMMDOYKGH-UHFFFAOYSA-N -1 1 357.797 4.357 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4ccccc4)n3)n2)c(F)c1 ZINC000445464319 1108775232 /nfs/dbraw/zinc/77/52/32/1108775232.db2.gz MNDZDXGPIKQYTA-UHFFFAOYSA-N -1 1 353.378 4.296 20 0 FIADMM Cc1ccc(-c2cnc(CCc3nc(-c4ccc([O-])cc4F)no3)o2)cc1 ZINC000445457363 1108790727 /nfs/dbraw/zinc/79/07/27/1108790727.db2.gz MWIQBMPVKPIXQM-UHFFFAOYSA-N -1 1 365.364 4.330 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)c2c(n1)onc2C(C)C ZINC000445458529 1108791874 /nfs/dbraw/zinc/79/18/74/1108791874.db2.gz YTJHAHCTMQEXJN-UHFFFAOYSA-N -1 1 354.341 4.216 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ncc(-c4ccccc4)o3)n2)c(F)c1 ZINC000445461355 1108794086 /nfs/dbraw/zinc/79/40/86/1108794086.db2.gz GMNCVBMHDLRJKC-UHFFFAOYSA-N -1 1 351.337 4.022 20 0 FIADMM CCCc1nc2ccccc2n1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445460254 1108794539 /nfs/dbraw/zinc/79/45/39/1108794539.db2.gz PEYBRLMAFBFLFO-UHFFFAOYSA-N -1 1 366.396 4.126 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2c(n1)onc2C(C)C ZINC000445481088 1108800716 /nfs/dbraw/zinc/80/07/16/1108800716.db2.gz OFAIBCKSUGJHPK-UHFFFAOYSA-N -1 1 354.341 4.216 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3ccccc3OC(F)F)n2)cc1F ZINC000445482356 1108802063 /nfs/dbraw/zinc/80/20/63/1108802063.db2.gz ORXMYQBMTZMJGD-RYUDHWBXSA-N -1 1 362.307 4.454 20 0 FIADMM [O-]c1ccc(-c2noc(CCCc3nc4ccccc4s3)n2)cc1F ZINC000445483860 1108804316 /nfs/dbraw/zinc/80/43/16/1108804316.db2.gz XAWMKACANLKSKC-UHFFFAOYSA-N -1 1 355.394 4.366 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(Cc4ccccc4)n3)n2)cc1F ZINC000445484938 1108804423 /nfs/dbraw/zinc/80/44/23/1108804423.db2.gz YWWLGVMZMJKFGP-UHFFFAOYSA-N -1 1 367.405 4.219 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccc(C(F)(F)F)cc3)n2)cc1F ZINC000445475433 1108814385 /nfs/dbraw/zinc/81/43/85/1108814385.db2.gz UMEKJULIRBGXRX-UHFFFAOYSA-N -1 1 354.259 4.179 20 0 FIADMM COc1cc(-c2nc(Cc3nccc4ccccc43)no2)cc(Cl)c1[O-] ZINC000445512563 1108828472 /nfs/dbraw/zinc/82/84/72/1108828472.db2.gz CKMUDUGIYGCQJI-UHFFFAOYSA-N -1 1 367.792 4.243 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3noc4c3CCCC4)n2)cc1 ZINC000525262890 1109323318 /nfs/dbraw/zinc/32/33/18/1109323318.db2.gz ACPBSVNFBSLQPR-UHFFFAOYSA-N -1 1 372.475 4.046 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000525403391 1109372755 /nfs/dbraw/zinc/37/27/55/1109372755.db2.gz LZZVYHNXVGXBOV-CHWSQXEVSA-N -1 1 371.799 4.317 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)cc(Cl)c1[O-] ZINC000447074492 1109435721 /nfs/dbraw/zinc/43/57/21/1109435721.db2.gz AXNDYXOYWYCELL-AWEZNQCLSA-N -1 1 361.869 4.456 20 0 FIADMM COc1cc(C(=O)N2CCC(F)(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000447605857 1109600539 /nfs/dbraw/zinc/60/05/39/1109600539.db2.gz BDIDUPNLXZTPQW-UHFFFAOYSA-N -1 1 363.816 4.155 20 0 FIADMM COc1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000526946070 1109646720 /nfs/dbraw/zinc/64/67/20/1109646720.db2.gz DMUZNCBAEWDMHC-UHFFFAOYSA-N -1 1 361.800 4.123 20 0 FIADMM COc1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000527198546 1109717848 /nfs/dbraw/zinc/71/78/48/1109717848.db2.gz SVMIOTIYXDOXBR-UHFFFAOYSA-N -1 1 371.820 4.016 20 0 FIADMM COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)cc(Cl)c1[O-] ZINC000527486349 1109760173 /nfs/dbraw/zinc/76/01/73/1109760173.db2.gz MVZXTTVDFUURHV-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM COc1cc(C(=O)NCc2csc(-c3ccccc3)n2)cc(Cl)c1[O-] ZINC000527486950 1109764178 /nfs/dbraw/zinc/76/41/78/1109764178.db2.gz OSJNBEVMMGWBOL-UHFFFAOYSA-N -1 1 374.849 4.108 20 0 FIADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000527616238 1109787323 /nfs/dbraw/zinc/78/73/23/1109787323.db2.gz YOELJXGEEFAPRL-HZMBPMFUSA-N -1 1 355.825 4.227 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCC12CC2 ZINC000527760033 1109817613 /nfs/dbraw/zinc/81/76/13/1109817613.db2.gz FQMSGLRSQUDLMS-GOSISDBHSA-N -1 1 370.474 4.006 20 0 FIADMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1nc(C(F)(F)F)cs1 ZINC000538388739 1111119766 /nfs/dbraw/zinc/11/97/66/1111119766.db2.gz XSOQNFHHMNLZPF-ZETCQYMHSA-N -1 1 366.311 4.027 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000538460002 1111150427 /nfs/dbraw/zinc/15/04/27/1111150427.db2.gz QHFUHPTZOSHGFK-HOCLYGCPSA-N -1 1 372.490 4.171 20 0 FIADMM CCSc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000629491354 1111318852 /nfs/dbraw/zinc/31/88/52/1111318852.db2.gz QREMGGXXEFQCFB-RISCZKNCSA-N -1 1 372.328 4.104 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n[nH]c1-c1ccccc1 ZINC000539109751 1111445710 /nfs/dbraw/zinc/44/57/10/1111445710.db2.gz ZKOFVAXDSQLUGA-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM O=C(CC1CCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478445560 1111782697 /nfs/dbraw/zinc/78/26/97/1111782697.db2.gz BKWPIZDZCYPRBU-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1 ZINC000552832140 1111819282 /nfs/dbraw/zinc/81/92/82/1111819282.db2.gz SFFCAHJFALXANM-UHFFFAOYSA-N -1 1 374.506 4.014 20 0 FIADMM CC[C@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000478693946 1111852631 /nfs/dbraw/zinc/85/26/31/1111852631.db2.gz KPPJOFYVLJPYAK-AWEZNQCLSA-N -1 1 360.479 4.171 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)cc1C ZINC000478709962 1111859634 /nfs/dbraw/zinc/85/96/34/1111859634.db2.gz NLCXQZZNKRBTNC-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479523648 1112051935 /nfs/dbraw/zinc/05/19/35/1112051935.db2.gz FHSGZFDXIJJTDW-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)cc12 ZINC000479541747 1112062846 /nfs/dbraw/zinc/06/28/46/1112062846.db2.gz IMJLMQJSVWGPBT-UHFFFAOYSA-N -1 1 367.373 4.186 20 0 FIADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc12 ZINC000479574992 1112077114 /nfs/dbraw/zinc/07/71/14/1112077114.db2.gz PTOLJLOMISSBSZ-UHFFFAOYSA-N -1 1 369.446 4.473 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cn1 ZINC000553874406 1112117391 /nfs/dbraw/zinc/11/73/91/1112117391.db2.gz FUCAFFCIRYDNKV-LURJTMIESA-N -1 1 371.698 4.143 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCc2cc(Cl)ccc2C1 ZINC000480828336 1112618817 /nfs/dbraw/zinc/61/88/17/1112618817.db2.gz KXURAFJUMHARFT-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1conc1C1CC1 ZINC000555091442 1112656604 /nfs/dbraw/zinc/65/66/04/1112656604.db2.gz BTGGNHLRDFTCHA-UHFFFAOYSA-N -1 1 364.789 4.115 20 0 FIADMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000481343628 1112907267 /nfs/dbraw/zinc/90/72/67/1112907267.db2.gz RDMSHOJQFXDTOH-SFYZADRCSA-N -1 1 360.353 4.007 20 0 FIADMM CCOC(=O)COc1cccc(-c2nc3scc(C(C)C)c3c(=O)[n-]2)c1 ZINC000481518843 1112968345 /nfs/dbraw/zinc/96/83/45/1112968345.db2.gz MFOACKCUMYXYSH-UHFFFAOYSA-N -1 1 372.446 4.129 20 0 FIADMM COc1cc2nc(-c3cccc(-c4cscn4)c3)[n-]c(=O)c2cc1OC ZINC000481552825 1112975315 /nfs/dbraw/zinc/97/53/15/1112975315.db2.gz PJXLZADNCYOYCD-UHFFFAOYSA-N -1 1 365.414 4.143 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000555887242 1113047687 /nfs/dbraw/zinc/04/76/87/1113047687.db2.gz DUNPJIBLHRASFR-AWEZNQCLSA-N -1 1 367.474 4.361 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c1 ZINC000160108004 1113301322 /nfs/dbraw/zinc/30/13/22/1113301322.db2.gz QMHCEKLIACRKSN-UHFFFAOYSA-N -1 1 370.430 4.044 20 0 FIADMM Cc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(C)n1C1CC1 ZINC000482579537 1113301846 /nfs/dbraw/zinc/30/18/46/1113301846.db2.gz OJOVNUIBGGXQRU-UHFFFAOYSA-N -1 1 363.255 4.469 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccccc2Cl)c1 ZINC000482641213 1113318332 /nfs/dbraw/zinc/31/83/32/1113318332.db2.gz PQLFECIONCDGHN-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]nc2-c2ccccc2)c1 ZINC000482698090 1113334370 /nfs/dbraw/zinc/33/43/70/1113334370.db2.gz USHDIBAGRGMGEZ-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000907314414 1113534092 /nfs/dbraw/zinc/53/40/92/1113534092.db2.gz MLYNWUCHNKEBNO-FEAKQIBJSA-N -1 1 369.490 4.219 20 0 FIADMM COC(=O)c1cc2cc(NC(=O)Nc3ccc([O-])c(Cl)c3)ccc2o1 ZINC000486249508 1113535484 /nfs/dbraw/zinc/53/54/84/1113535484.db2.gz CGHWENSVBVFDBR-UHFFFAOYSA-N -1 1 360.753 4.222 20 0 FIADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000486772305 1113639279 /nfs/dbraw/zinc/63/92/79/1113639279.db2.gz QDGGBHKCEUSOKX-MRXNPFEDSA-N -1 1 374.278 4.310 20 0 FIADMM O=C(Nc1ccc(Oc2cccnc2)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000486941802 1113681293 /nfs/dbraw/zinc/68/12/93/1113681293.db2.gz MILJESZWGWGYOM-UHFFFAOYSA-N -1 1 356.769 4.272 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)c1ccc(-c2nccs2)cc1 ZINC000910049571 1113820662 /nfs/dbraw/zinc/82/06/62/1113820662.db2.gz XWWRISYFTPCASR-UHFFFAOYSA-N -1 1 368.462 4.014 20 0 FIADMM CCN(CC)[C@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccccc1 ZINC000910947923 1113926699 /nfs/dbraw/zinc/92/66/99/1113926699.db2.gz RYARKMZWPPCLRF-SFHVURJKSA-N -1 1 372.490 4.128 20 0 FIADMM COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c([O-])c1 ZINC000031934461 1114316415 /nfs/dbraw/zinc/31/64/15/1114316415.db2.gz SRLUXJXSZHOJAJ-HXUWFJFHSA-N -1 1 358.397 4.309 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000588077770 1114519932 /nfs/dbraw/zinc/51/99/32/1114519932.db2.gz ZHXUPMUFLPHYML-UHFFFAOYSA-N -1 1 358.488 4.482 20 0 FIADMM O=C([O-])c1cc(F)ccc1CN1CCC(Oc2ccccc2Cl)CC1 ZINC000571888706 1114543816 /nfs/dbraw/zinc/54/38/16/1114543816.db2.gz SVSLBCUNGHOXJA-UHFFFAOYSA-N -1 1 363.816 4.221 20 0 FIADMM CCSc1cccc(F)c1[N-]C(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000589812704 1114845403 /nfs/dbraw/zinc/84/54/03/1114845403.db2.gz ZTSHKHXQPVYSLW-UHFFFAOYSA-N -1 1 351.374 4.116 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1 ZINC000057120386 1114874009 /nfs/dbraw/zinc/87/40/09/1114874009.db2.gz PGJFCJGKXFKKLX-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM C[C@H](CN(Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1)C(=O)[O-] ZINC000573098698 1115048711 /nfs/dbraw/zinc/04/87/11/1115048711.db2.gz WGCAKNMVIQXKSQ-LLVKDONJSA-N -1 1 350.871 4.149 20 0 FIADMM CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccn1 ZINC000591393826 1115077713 /nfs/dbraw/zinc/07/77/13/1115077713.db2.gz YRHBSJBRCOQGIK-SNVBAGLBSA-N -1 1 365.307 4.270 20 0 FIADMM CCc1nc(CN(C)Cn2c(CCC3CCCC3)n[n-]c2=S)cs1 ZINC000058206381 1115154283 /nfs/dbraw/zinc/15/42/83/1115154283.db2.gz WLLIPADGMDAIAS-UHFFFAOYSA-N -1 1 365.572 4.172 20 0 FIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)ccc2o1 ZINC000592002937 1115191637 /nfs/dbraw/zinc/19/16/37/1115191637.db2.gz CHBXOWZWAJFPQV-LBPRGKRZSA-N -1 1 372.446 4.075 20 0 FIADMM Cc1cc(Br)c(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000669472627 1115292460 /nfs/dbraw/zinc/29/24/60/1115292460.db2.gz FTYPBLLHUPAFJT-SNVBAGLBSA-N -1 1 360.298 4.186 20 0 FIADMM CCN(C(=O)Cn1c(=S)[n-]nc1-c1cccs1)[C@H]1CCCC[C@H]1C ZINC000170773579 1115771023 /nfs/dbraw/zinc/77/10/23/1115771023.db2.gz YPXYOLOIWODXID-OLZOCXBDSA-N -1 1 364.540 4.096 20 0 FIADMM CCN(C(=O)Cn1c(=S)[n-]nc1-c1cccs1)[C@H]1CCCC[C@@H]1C ZINC000170773575 1115771276 /nfs/dbraw/zinc/77/12/76/1115771276.db2.gz YPXYOLOIWODXID-STQMWFEESA-N -1 1 364.540 4.096 20 0 FIADMM CCc1cc2c(CNc3cccc([C@@H](C)OC)c3)cc(=O)oc2cc1[O-] ZINC000171091052 1115833105 /nfs/dbraw/zinc/83/31/05/1115833105.db2.gz ZWAOVLGTIUOGBR-CYBMUJFWSA-N -1 1 353.418 4.381 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000605436752 1115895330 /nfs/dbraw/zinc/89/53/30/1115895330.db2.gz MDFWNBOYLSXKQI-UHFFFAOYSA-N -1 1 371.389 4.283 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1 ZINC000605496053 1115904516 /nfs/dbraw/zinc/90/45/16/1115904516.db2.gz JKPGMBMHCFETAS-JTQLQIEISA-N -1 1 369.895 4.186 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)C2CCCC2)cc1 ZINC000172139215 1115919862 /nfs/dbraw/zinc/91/98/62/1115919862.db2.gz VLOJTULMXGWFHI-AWEZNQCLSA-N -1 1 358.511 4.001 20 0 FIADMM O=S(=O)([N-]C(c1cccs1)c1cccs1)c1cc(F)ccc1F ZINC000606460582 1115946155 /nfs/dbraw/zinc/94/61/55/1115946155.db2.gz CIPZJCNETTZXLY-UHFFFAOYSA-N -1 1 371.455 4.156 20 0 FIADMM COc1ccc(Br)cc1SCC(=O)c1ccc([O-])cc1 ZINC000607438487 1116031547 /nfs/dbraw/zinc/03/15/47/1116031547.db2.gz NHTZPNBXBBMQJC-UHFFFAOYSA-N -1 1 353.237 4.138 20 0 FIADMM CCC[C@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000173644175 1116078923 /nfs/dbraw/zinc/07/89/23/1116078923.db2.gz CBLFMQWDIYMKJC-QGZVFWFLSA-N -1 1 364.540 4.098 20 0 FIADMM CCOc1ccc(-c2nc(CC(=O)Nc3c([O-])cccc3F)cs2)cc1 ZINC000608366387 1116102733 /nfs/dbraw/zinc/10/27/33/1116102733.db2.gz JCXIOYKAEFNDSJ-UHFFFAOYSA-N -1 1 372.421 4.235 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000174365107 1116130999 /nfs/dbraw/zinc/13/09/99/1116130999.db2.gz AVWJYXFVYDDCGA-DOTOQJQBSA-N -1 1 370.522 4.097 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccc2cccnc21 ZINC000535293731 1116291493 /nfs/dbraw/zinc/29/14/93/1116291493.db2.gz LQGWJMSOVKFVHT-UHFFFAOYSA-N -1 1 354.822 4.014 20 0 FIADMM CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000535509112 1116313752 /nfs/dbraw/zinc/31/37/52/1116313752.db2.gz ZRTWDVZWXOXEMQ-UHFFFAOYSA-N -1 1 354.269 4.373 20 0 FIADMM COc1ccc2c(c1)CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C2 ZINC000539631250 1116356756 /nfs/dbraw/zinc/35/67/56/1116356756.db2.gz BEONDHTYILXYOT-UHFFFAOYSA-N -1 1 365.351 4.008 20 0 FIADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000462486824 1116359695 /nfs/dbraw/zinc/35/96/95/1116359695.db2.gz SJAKUMHILKKZRQ-BONVTDFDSA-N -1 1 356.875 4.011 20 0 FIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507554838 1118298475 /nfs/dbraw/zinc/29/84/75/1118298475.db2.gz VVHPSFYBDJULAY-UHFFFAOYSA-N -1 1 373.881 4.058 20 0 FIADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000463919368 1118371362 /nfs/dbraw/zinc/37/13/62/1118371362.db2.gz HJODNBWTZQDEAH-JKSUJKDBSA-N -1 1 374.506 4.042 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1Cl ZINC000541165290 1118411345 /nfs/dbraw/zinc/41/13/45/1118411345.db2.gz QJPKRWYQFBQHOK-UHFFFAOYSA-N -1 1 355.818 4.099 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1Cl ZINC000464406520 1118553656 /nfs/dbraw/zinc/55/36/56/1118553656.db2.gz NTCCWUPHASDHGG-UHFFFAOYSA-N -1 1 364.879 4.411 20 0 FIADMM CCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCCC1 ZINC000464929703 1118753388 /nfs/dbraw/zinc/75/33/88/1118753388.db2.gz CTFGFLVITSTMNP-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C(F)(F)F ZINC000303114220 1118812769 /nfs/dbraw/zinc/81/27/69/1118812769.db2.gz LLUSRYNZLCEFJE-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM Cc1csc([C@H]2CCCN(C(=O)c3ccc4ccccc4c3[O-])C2)n1 ZINC000174606682 1118933845 /nfs/dbraw/zinc/93/38/45/1118933845.db2.gz LOQJAOCSQNNFLF-HNNXBMFYSA-N -1 1 352.459 4.330 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000303571720 1118966166 /nfs/dbraw/zinc/96/61/66/1118966166.db2.gz MWNLRFGSEMYQFE-QGZVFWFLSA-N -1 1 350.256 4.117 20 0 FIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000172888012 1118987592 /nfs/dbraw/zinc/98/75/92/1118987592.db2.gz LQPZJYPTJHAODF-UHFFFAOYSA-N -1 1 374.506 4.057 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(F)c3)c2)oc1C ZINC000176694226 1119289539 /nfs/dbraw/zinc/28/95/39/1119289539.db2.gz RBXLHYAAXLBAOD-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CCC(CC)c1cc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)on1 ZINC000176971145 1119306050 /nfs/dbraw/zinc/30/60/50/1119306050.db2.gz KCHNEZPEOSNAEO-UHFFFAOYSA-N -1 1 373.844 4.124 20 0 FIADMM Cc1oc(-c2ccccc2)nc1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000761501018 1119401601 /nfs/dbraw/zinc/40/16/01/1119401601.db2.gz COSDLYLGUUBDOT-UHFFFAOYSA-N -1 1 351.337 4.136 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCC(C)(C)CC2)cc1 ZINC000152640996 1119475075 /nfs/dbraw/zinc/47/50/75/1119475075.db2.gz FKXGNFGMRAGFRH-UHFFFAOYSA-N -1 1 372.538 4.345 20 0 FIADMM COc1cccc([C@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182928227 1119562937 /nfs/dbraw/zinc/56/29/37/1119562937.db2.gz SICRZPKSTWFBNG-NSHDSACASA-N -1 1 364.239 4.214 20 0 FIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)c2ccccc2)nc1-c1ccccc1 ZINC000185050422 1119638307 /nfs/dbraw/zinc/63/83/07/1119638307.db2.gz ALUBZTBRTQHJHU-CQSZACIVSA-N -1 1 350.443 4.109 20 0 FIADMM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3c([O-])cccc3Cl)n2)cc1 ZINC000761603513 1119708165 /nfs/dbraw/zinc/70/81/65/1119708165.db2.gz VPBCQGZNEITCGZ-LLVKDONJSA-N -1 1 371.824 4.149 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1C(=O)NC(C)C ZINC000189004775 1119814126 /nfs/dbraw/zinc/81/41/26/1119814126.db2.gz UDKAMNWHPSUISP-UHFFFAOYSA-N -1 1 374.506 4.057 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000494571498 1119907453 /nfs/dbraw/zinc/90/74/53/1119907453.db2.gz SUUKAHSFSSCRKO-UHFFFAOYSA-N -1 1 364.898 4.173 20 0 FIADMM Cc1cnc(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c([O-])c1 ZINC001626013544 1119909516 /nfs/dbraw/zinc/90/95/16/1119909516.db2.gz TVAUHGPBNBBTHR-SFHVURJKSA-N -1 1 352.821 4.268 20 0 FIADMM COCCOc1cc(C)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192204517 1120041139 /nfs/dbraw/zinc/04/11/39/1120041139.db2.gz XUTNVJAKLBMTBM-UHFFFAOYSA-N -1 1 350.802 4.023 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCCc3nc(C)sc32)cc(Cl)c1[O-] ZINC000762661381 1120946276 /nfs/dbraw/zinc/94/62/76/1120946276.db2.gz HWPARADNHBBQJX-ZDUSSCGKSA-N -1 1 366.870 4.017 20 0 FIADMM Fc1ccccc1[N-]c1nnc(Sc2nccc(C(F)(F)F)n2)s1 ZINC000029376283 1121037573 /nfs/dbraw/zinc/03/75/73/1121037573.db2.gz YPBFQNYSQLLUCU-UHFFFAOYSA-N -1 1 373.360 4.381 20 0 FIADMM COc1ccc(-c2nc(CSc3nc(C4CC4)cc(=O)[n-]3)cs2)cc1 ZINC000470455933 1121056961 /nfs/dbraw/zinc/05/69/61/1121056961.db2.gz PTBFOADYTBAYRQ-UHFFFAOYSA-N -1 1 371.487 4.484 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000031534530 1121084557 /nfs/dbraw/zinc/08/45/57/1121084557.db2.gz QGFSYTQMCYCIRO-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2[nH]1 ZINC000031721972 1121091052 /nfs/dbraw/zinc/09/10/52/1121091052.db2.gz UDDWPAWNJWRLKP-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000032085105 1121099984 /nfs/dbraw/zinc/09/99/84/1121099984.db2.gz RUAMRUQAJCCCRY-UHFFFAOYSA-N -1 1 372.490 4.034 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1Cl ZINC000033896906 1121129638 /nfs/dbraw/zinc/12/96/38/1121129638.db2.gz QACJFBKUPSVGGF-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM CN(Cc1cccc(Cl)c1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000915869593 1121150295 /nfs/dbraw/zinc/15/02/95/1121150295.db2.gz HEODYBNLPIMWPV-UHFFFAOYSA-N -1 1 364.228 4.437 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000055594914 1121255869 /nfs/dbraw/zinc/25/58/69/1121255869.db2.gz JNJAYHHJHNLCCM-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM Cc1ccc(NC(=O)CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612163 1121285649 /nfs/dbraw/zinc/28/56/49/1121285649.db2.gz RQGVAAXPBRDHLD-UHFFFAOYSA-N -1 1 360.479 4.171 20 0 FIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(Cl)sc1Cl ZINC000046758195 1121297234 /nfs/dbraw/zinc/29/72/34/1121297234.db2.gz UNRUWDPVMMRRJF-UHFFFAOYSA-N -1 1 357.247 4.221 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1Oc1cccnc1 ZINC000057126363 1121354095 /nfs/dbraw/zinc/35/40/95/1121354095.db2.gz XLEJRMVXNLWMHX-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CCCC[C@@H](CC)C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000032681848 1121388701 /nfs/dbraw/zinc/38/87/01/1121388701.db2.gz QPQDKBQSWCNHJH-CQSZACIVSA-N -1 1 359.495 4.096 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(Br)c1 ZINC000037396478 1121574450 /nfs/dbraw/zinc/57/44/50/1121574450.db2.gz FDXPGQJKSQYNCH-UHFFFAOYSA-N -1 1 368.296 4.484 20 0 FIADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000037574951 1121582036 /nfs/dbraw/zinc/58/20/36/1121582036.db2.gz USGQKUWGFVJKOB-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000064477413 1121616198 /nfs/dbraw/zinc/61/61/98/1121616198.db2.gz XSSKALBLLVUNHR-UHFFFAOYSA-N -1 1 365.373 4.367 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 ZINC000065627296 1121695308 /nfs/dbraw/zinc/69/53/08/1121695308.db2.gz LAKOQAWIBQJFQR-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM CC[C@H](C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)c1ccccc1 ZINC000068435849 1121828947 /nfs/dbraw/zinc/82/89/47/1121828947.db2.gz ODWWLHFIMMHZKS-KRWDZBQOSA-N -1 1 372.538 4.421 20 0 FIADMM COc1cc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1F ZINC000126485498 1121959971 /nfs/dbraw/zinc/95/99/71/1121959971.db2.gz MNRWCVJKYGKRMT-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000126808603 1122001890 /nfs/dbraw/zinc/00/18/90/1122001890.db2.gz XPCASVPAFZXGSW-ZDUSSCGKSA-N -1 1 360.679 4.322 20 0 FIADMM C[C@H]1CC[C@@](C)(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000655014392 1122017760 /nfs/dbraw/zinc/01/77/60/1122017760.db2.gz XMVOEMMMQXXJJI-NYHFZMIOSA-N -1 1 357.494 4.276 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1CC1(C)C ZINC001212220128 1122035420 /nfs/dbraw/zinc/03/54/20/1122035420.db2.gz YHLPBRKRMOJBKR-WPRPVWTQSA-N -1 1 354.274 4.236 20 0 FIADMM COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c(Br)cc1[O-] ZINC000154277833 1122103306 /nfs/dbraw/zinc/10/33/06/1122103306.db2.gz PLHMRRDFYNGZRW-AUWJEWJLSA-N -1 1 372.218 4.262 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2c(cccc2F)s1 ZINC000917113723 1122162321 /nfs/dbraw/zinc/16/23/21/1122162321.db2.gz HUTSVACKXSSACL-UHFFFAOYSA-N -1 1 353.378 4.388 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(SC(F)F)cc1 ZINC000917113987 1122162373 /nfs/dbraw/zinc/16/23/73/1122162373.db2.gz RNHLOBDLPMSLMH-UHFFFAOYSA-N -1 1 361.373 4.349 20 0 FIADMM CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000497430819 1122226653 /nfs/dbraw/zinc/22/66/53/1122226653.db2.gz BSYKDTLBZSSVGD-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)CC)ccc2C)cc1 ZINC000055595017 1122256497 /nfs/dbraw/zinc/25/64/97/1122256497.db2.gz PGNJXZIWXDTBQT-UHFFFAOYSA-N -1 1 360.479 4.097 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1C ZINC000055633147 1122258704 /nfs/dbraw/zinc/25/87/04/1122258704.db2.gz NSPFXOCNLISMOP-UHFFFAOYSA-N -1 1 371.458 4.414 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)ccc2o1 ZINC000917728641 1122419606 /nfs/dbraw/zinc/41/96/06/1122419606.db2.gz BHIJJOGDRBXINC-UHFFFAOYSA-N -1 1 372.446 4.258 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1F ZINC000917729796 1122419928 /nfs/dbraw/zinc/41/99/28/1122419928.db2.gz MWEOGOSBXCPXFB-UHFFFAOYSA-N -1 1 369.508 4.414 20 0 FIADMM CN(C(=O)c1ccccc1NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC000917803658 1122453263 /nfs/dbraw/zinc/45/32/63/1122453263.db2.gz UMPUPTXDQKPRMN-UHFFFAOYSA-N -1 1 352.434 4.049 20 0 FIADMM COc1ccc(Cl)cc1NCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129646779 1122656298 /nfs/dbraw/zinc/65/62/98/1122656298.db2.gz ZHZYKAYZTKEWNE-UHFFFAOYSA-N -1 1 355.221 4.148 20 0 FIADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001127440561 1122724890 /nfs/dbraw/zinc/72/48/90/1122724890.db2.gz IVYDZCRMNTVVBE-MGPLVRAMSA-N -1 1 373.321 4.088 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cc(F)c(F)cc3F)s2)c(C)c1 ZINC000130567082 1122872854 /nfs/dbraw/zinc/87/28/54/1122872854.db2.gz DRQGXROLKNBPLQ-UHFFFAOYSA-N -1 1 363.364 4.492 20 0 FIADMM CCOc1ccc(F)c([N-]C(=O)c2csc(C(F)(F)F)n2)c1F ZINC000556424171 1122882832 /nfs/dbraw/zinc/88/28/32/1122882832.db2.gz BJUUCJAFZVPOGB-UHFFFAOYSA-N -1 1 352.284 4.091 20 0 FIADMM CCC/C(C)=C\C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920290592 1123439730 /nfs/dbraw/zinc/43/97/30/1123439730.db2.gz MDLZUFRJKYVGQY-SQFISAMPSA-N -1 1 372.490 4.481 20 0 FIADMM CCC/C(C)=C/C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000920290994 1123439737 /nfs/dbraw/zinc/43/97/37/1123439737.db2.gz RVRIGZFFHJOYHJ-FYWRMAATSA-N -1 1 358.463 4.172 20 0 FIADMM CCC/C=C\C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000920465016 1123460361 /nfs/dbraw/zinc/46/03/61/1123460361.db2.gz UXRMLIWAMSECLP-WDZFZDKYSA-N -1 1 358.463 4.091 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2oc(C(F)(F)F)nc2c1 ZINC000920927148 1123536289 /nfs/dbraw/zinc/53/62/89/1123536289.db2.gz TVQREXFCCDVQOG-UHFFFAOYSA-N -1 1 374.315 4.095 20 0 FIADMM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccc(C(F)(F)F)cn1 ZINC000921209798 1123584312 /nfs/dbraw/zinc/58/43/12/1123584312.db2.gz QDWHMMHGRHCGOB-BQYQJAHWSA-N -1 1 362.760 4.166 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C2CCCCC2)c1 ZINC000175344839 1123843385 /nfs/dbraw/zinc/84/33/85/1123843385.db2.gz IAMAMENNRWGKLM-OAHLLOKOSA-N -1 1 372.538 4.391 20 0 FIADMM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000175455799 1123876393 /nfs/dbraw/zinc/87/63/93/1123876393.db2.gz SYNJGDLIOMTEFT-UHFFFAOYSA-N -1 1 362.385 4.063 20 0 FIADMM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(F)ccc4[O-])CC3)c2c1 ZINC000080004261 1123943252 /nfs/dbraw/zinc/94/32/52/1123943252.db2.gz KCJJQGWLKTZDEG-UHFFFAOYSA-N -1 1 368.408 4.041 20 0 FIADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)c(Cl)cc1F ZINC000136914217 1123946718 /nfs/dbraw/zinc/94/67/18/1123946718.db2.gz CTPZPJTWLSZUQG-UHFFFAOYSA-N -1 1 351.765 4.389 20 0 FIADMM O=S(=O)([N-]C[C@H]1CC2CCC1CC2)c1ccc(Cl)c(F)c1Cl ZINC001212274078 1124120293 /nfs/dbraw/zinc/12/02/93/1124120293.db2.gz DTDCICNACOPTQZ-VQXHTEKXSA-N -1 1 366.285 4.237 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc2c(c1)CCCC2 ZINC000615957798 1124183756 /nfs/dbraw/zinc/18/37/56/1124183756.db2.gz ATZNPHAHECXAHN-UHFFFAOYSA-N -1 1 370.499 4.490 20 0 FIADMM Cc1[n-][nH]c(=NC(=O)c2coc3ccc(C(C)C)cc23)c1Br ZINC000616001874 1124191362 /nfs/dbraw/zinc/19/13/62/1124191362.db2.gz FNHNSWVJKWCGMJ-UHFFFAOYSA-N -1 1 362.227 4.024 20 0 FIADMM CCOc1ccc(-c2ccc(-c3noc(-c4cc(C(C)=O)[n-]n4)n3)cc2)cc1 ZINC001212429195 1124216133 /nfs/dbraw/zinc/21/61/33/1124216133.db2.gz DONBWXINZDYSKK-UHFFFAOYSA-N -1 1 374.400 4.395 20 0 FIADMM CCOc1ccc(-c2ccc(-c3noc(-c4cc(C(C)=O)n[n-]4)n3)cc2)cc1 ZINC001212429195 1124216138 /nfs/dbraw/zinc/21/61/38/1124216138.db2.gz DONBWXINZDYSKK-UHFFFAOYSA-N -1 1 374.400 4.395 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(C(F)(F)F)c(Cl)c3)no2)n[n-]1 ZINC001212429890 1124218735 /nfs/dbraw/zinc/21/87/35/1124218735.db2.gz PMQWXOZKSZWSJA-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(C(F)(F)F)c(Cl)c3)no2)[n-]n1 ZINC001212429890 1124218744 /nfs/dbraw/zinc/21/87/44/1124218744.db2.gz PMQWXOZKSZWSJA-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000672052446 1124245136 /nfs/dbraw/zinc/24/51/36/1124245136.db2.gz RFFXTOVJZKSIRM-GOSISDBHSA-N -1 1 363.816 4.082 20 0 FIADMM CCn1c(C2CCN(C(=O)C[C@H](C)C3CCCCC3)CC2)n[n-]c1=S ZINC000068452666 1124248489 /nfs/dbraw/zinc/24/84/89/1124248489.db2.gz IZUQTECZEKWWQC-AWEZNQCLSA-N -1 1 364.559 4.273 20 0 FIADMM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccccc1Cl ZINC000110590457 1124760786 /nfs/dbraw/zinc/76/07/86/1124760786.db2.gz HKAFBGGBWPCXHR-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000672890501 1125358628 /nfs/dbraw/zinc/35/86/28/1125358628.db2.gz GEOTXEHHYHDCRC-UHFFFAOYSA-N -1 1 350.189 4.003 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000543023219 1125456180 /nfs/dbraw/zinc/45/61/80/1125456180.db2.gz KSCXIADFROJTJQ-UHFFFAOYSA-N -1 1 351.855 4.269 20 0 FIADMM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1cc(F)ccc1F ZINC000008447906 207233857 /nfs/dbraw/zinc/23/38/57/207233857.db2.gz JOJZZJXXLIYOOM-UHFFFAOYSA-N -1 1 359.397 4.033 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(F)c2ncccc12 ZINC000024578659 207869599 /nfs/dbraw/zinc/86/95/99/207869599.db2.gz NCHXUQIDWUVDGT-UHFFFAOYSA-N -1 1 371.220 4.482 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000031176124 208009599 /nfs/dbraw/zinc/00/95/99/208009599.db2.gz LKLQEMPGNAVUEU-UHFFFAOYSA-N -1 1 371.440 4.442 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186316489 567905129 /nfs/dbraw/zinc/90/51/29/567905129.db2.gz JRJCXYUBGSHJBJ-MRXNPFEDSA-N -1 1 370.207 4.052 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc1 ZINC000068078442 568086177 /nfs/dbraw/zinc/08/61/77/568086177.db2.gz VDOCSAGXFJJKTD-UHFFFAOYSA-N -1 1 359.369 4.045 20 0 FIADMM O=S(=O)([N-]Cc1cccc2cccnc21)c1cc(Cl)sc1Cl ZINC000068838878 568092786 /nfs/dbraw/zinc/09/27/86/568092786.db2.gz CSKBGDODHXONMM-UHFFFAOYSA-N -1 1 373.286 4.082 20 0 FIADMM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603879204 568175884 /nfs/dbraw/zinc/17/58/84/568175884.db2.gz DDSLOCISCHYYJM-UHFFFAOYSA-N -1 1 373.865 4.308 20 0 FIADMM Cc1cccc(Nc2nnc(SCC(=O)c3ccc([O-])cc3)s2)c1 ZINC000007201333 568212961 /nfs/dbraw/zinc/21/29/61/568212961.db2.gz CUBBQVUALCWTSE-UHFFFAOYSA-N -1 1 357.460 4.271 20 0 FIADMM O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1ccc([O-])cc1 ZINC000008255918 568284164 /nfs/dbraw/zinc/28/41/64/568284164.db2.gz KANWNBZARJLFQW-UHFFFAOYSA-N -1 1 357.460 4.022 20 0 FIADMM Cc1ccccc1-c1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cs1 ZINC000066287956 1125533480 /nfs/dbraw/zinc/53/34/80/1125533480.db2.gz YEJCVUUTOAHNCV-UHFFFAOYSA-N -1 1 370.381 4.241 20 0 FIADMM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000619420742 1125590369 /nfs/dbraw/zinc/59/03/69/1125590369.db2.gz IWNXWSZTFUUXTL-UHFFFAOYSA-N -1 1 359.397 4.058 20 0 FIADMM C[C@]([N-]C(=O)C(F)(F)Cc1ccccc1)(c1ccccc1)C(F)(F)F ZINC001266249674 1079540888 /nfs/dbraw/zinc/54/08/88/1079540888.db2.gz QRZGWZNAGRVPAE-INIZCTEOSA-N -1 1 357.322 4.458 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000063181340 1079669384 /nfs/dbraw/zinc/66/93/84/1079669384.db2.gz XNULUJFCJHVQSC-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000510055400 1079695697 /nfs/dbraw/zinc/69/56/97/1079695697.db2.gz MUAYDYWOCJECLB-UHFFFAOYSA-N -1 1 353.765 4.434 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2SC(C)C)cc1 ZINC000471117755 1079701554 /nfs/dbraw/zinc/70/15/54/1079701554.db2.gz XXAZRTSOTQNZIJ-UHFFFAOYSA-N -1 1 365.520 4.177 20 0 FIADMM CCCCc1nc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC000620106085 1125778665 /nfs/dbraw/zinc/77/86/65/1125778665.db2.gz QZUOVSAROWWEHU-UHFFFAOYSA-N -1 1 358.507 4.286 20 0 FIADMM Cc1nc(SCc2cc(=O)oc3cc([O-])ccc23)n(CC(C)C)c1C ZINC000216661200 1079799019 /nfs/dbraw/zinc/79/90/19/1079799019.db2.gz CYPSVJZSYNHBLV-UHFFFAOYSA-N -1 1 358.463 4.260 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000026548194 1079905692 /nfs/dbraw/zinc/90/56/92/1079905692.db2.gz QCZBSHLWXQKMPZ-UHFFFAOYSA-N -1 1 354.431 4.328 20 0 FIADMM Cc1c(C(=O)[N-]NC(=O)Cc2ccc(Cl)cc2)oc2c1c(C)ccc2C ZINC000065891171 1079969395 /nfs/dbraw/zinc/96/93/95/1079969395.db2.gz JUSNRQCODPGUPP-UHFFFAOYSA-N -1 1 370.836 4.015 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])c(F)c2)cnn1-c1ccccc1C ZINC000683253875 1080224847 /nfs/dbraw/zinc/22/48/47/1080224847.db2.gz LNPPTBFXIDBRNM-UHFFFAOYSA-N -1 1 353.397 4.230 20 0 FIADMM CCc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000079080537 1080383027 /nfs/dbraw/zinc/38/30/27/1080383027.db2.gz BYHBQNZVQWEYPO-UHFFFAOYSA-N -1 1 352.434 4.081 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2C)c1C ZINC000007417095 1080452136 /nfs/dbraw/zinc/45/21/36/1080452136.db2.gz ZHXQJXXGNBNKBK-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncccc2Cl)cc1Cl ZINC000180199575 1080465831 /nfs/dbraw/zinc/46/58/31/1080465831.db2.gz NDWFYYYXZRDQAF-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM CCOc1cc(-c2noc([C@@H](C)SC)n2)cc(Br)c1[O-] ZINC000109507677 1080589197 /nfs/dbraw/zinc/58/91/97/1080589197.db2.gz RSTRLMGMVZIWSW-SSDOTTSWSA-N -1 1 359.245 4.027 20 0 FIADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000325293249 1081377023 /nfs/dbraw/zinc/37/70/23/1081377023.db2.gz RTUWIZWVPKEOAA-LBPRGKRZSA-N -1 1 361.816 4.264 20 0 FIADMM Nc1cn(-c2cc(Cl)c([O-])c(Cl)c2)c2nccc(Br)c12 ZINC001210927802 1081858806 /nfs/dbraw/zinc/85/88/06/1081858806.db2.gz ZZYYINOTOMETNB-UHFFFAOYSA-N -1 1 373.037 4.383 20 0 FIADMM Cc1cc(C)c(Nc2cc(Cl)c(O)c(Cl)c2)c(S(=O)(=O)[O-])c1 ZINC001210929108 1081861019 /nfs/dbraw/zinc/86/10/19/1081861019.db2.gz TWWSLSRKUPWYIM-UHFFFAOYSA-N -1 1 362.234 4.306 20 0 FIADMM Cc1c2ccccc2nc(CN2C[C@@H](C)OC3(CCCCC3)C2)c1C(=O)[O-] ZINC000656192351 1081898399 /nfs/dbraw/zinc/89/83/99/1081898399.db2.gz PUAMLJHRTRBLIB-OAHLLOKOSA-N -1 1 368.477 4.165 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccc(C(F)F)cc1 ZINC000580370067 1081906921 /nfs/dbraw/zinc/90/69/21/1081906921.db2.gz QQZJKMOPQPUIIR-UHFFFAOYSA-N -1 1 371.380 4.495 20 0 FIADMM O=C([O-])CCN(CCSC1CCCCC1)Cc1cccc(F)c1F ZINC000565720008 1082029171 /nfs/dbraw/zinc/02/91/71/1082029171.db2.gz CYEQNMGISBBOCH-UHFFFAOYSA-N -1 1 357.466 4.307 20 0 FIADMM COc1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)ccc1F ZINC000471618311 1082154001 /nfs/dbraw/zinc/15/40/01/1082154001.db2.gz LQCARGUEWBEOQO-UHFFFAOYSA-N -1 1 372.421 4.379 20 0 FIADMM O=C([O-])Cc1cccc(NC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000580820931 1082158602 /nfs/dbraw/zinc/15/86/02/1082158602.db2.gz QMMZEJCSEPYCQJ-UHFFFAOYSA-N -1 1 358.869 4.044 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2ccnc(Cl)c2)c1 ZINC000588396297 1082247016 /nfs/dbraw/zinc/24/70/16/1082247016.db2.gz IQXVRUMAXICCTR-IHWYPQMZSA-N -1 1 367.630 4.163 20 0 FIADMM CC(C)n1c(C2CCN(C(=O)C=Cc3cccc(F)c3)CC2)n[n-]c1=S ZINC000068435279 1082475248 /nfs/dbraw/zinc/47/52/48/1082475248.db2.gz NJENGOQMYLBMII-VOTSOKGWSA-N -1 1 374.485 4.080 20 0 FIADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2coc(C3CCC3)n2)s1 ZINC000684237397 1082545553 /nfs/dbraw/zinc/54/55/53/1082545553.db2.gz CDONBKKSGAKBFB-UHFFFAOYSA-N -1 1 358.398 4.160 20 0 FIADMM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1c(F)ccc([O-])c1F ZINC000581515193 1082631844 /nfs/dbraw/zinc/63/18/44/1082631844.db2.gz FZABVEOUPNZYRF-UHFFFAOYSA-N -1 1 358.222 4.083 20 0 FIADMM CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000581635979 1082733561 /nfs/dbraw/zinc/73/35/61/1082733561.db2.gz CBBXDLZVPAUFCW-SNVBAGLBSA-N -1 1 367.421 4.363 20 0 FIADMM Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)c1 ZINC000656730192 1082734546 /nfs/dbraw/zinc/73/45/46/1082734546.db2.gz AUYJXZQBVXKYPF-UHFFFAOYSA-N -1 1 374.506 4.142 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c1C1CC1 ZINC000656738178 1082739553 /nfs/dbraw/zinc/73/95/53/1082739553.db2.gz AUMOFZHOAIFZCA-UHFFFAOYSA-N -1 1 354.834 4.002 20 0 FIADMM O=C([O-])c1sccc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000656759697 1082751963 /nfs/dbraw/zinc/75/19/63/1082751963.db2.gz JUEYIEKTZKFLKF-UHFFFAOYSA-N -1 1 371.289 4.075 20 0 FIADMM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CCC(C2CCC2)CC1 ZINC000656759042 1082752494 /nfs/dbraw/zinc/75/24/94/1082752494.db2.gz UUMLFKBYNMEPOY-INIZCTEOSA-N -1 1 370.262 4.226 20 0 FIADMM Cc1cccc(CS(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)c1 ZINC000581699674 1082823011 /nfs/dbraw/zinc/82/30/11/1082823011.db2.gz RPJGQZRQUSHZRU-UHFFFAOYSA-N -1 1 354.431 4.124 20 0 FIADMM CCOCCC1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCCC1 ZINC000471732469 1082924282 /nfs/dbraw/zinc/92/42/82/1082924282.db2.gz WVTIWCWRFSGHGJ-UHFFFAOYSA-N -1 1 370.497 4.260 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c(C)s1 ZINC000535655376 1083252693 /nfs/dbraw/zinc/25/26/93/1083252693.db2.gz KATAFNMMUUHSLO-UHFFFAOYSA-N -1 1 358.488 4.152 20 0 FIADMM Cc1cc(Br)ccc1-c1noc(-c2cnc(C(F)(F)F)[n-]2)n1 ZINC001213589813 1083269999 /nfs/dbraw/zinc/26/99/99/1083269999.db2.gz OMSVLFFXSNJNDX-UHFFFAOYSA-N -1 1 373.132 4.216 20 0 FIADMM Cc1cc(Br)ccc1-c1noc(-c2c[n-]c(C(F)(F)F)n2)n1 ZINC001213589813 1083270003 /nfs/dbraw/zinc/27/00/03/1083270003.db2.gz OMSVLFFXSNJNDX-UHFFFAOYSA-N -1 1 373.132 4.216 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471928821 1083341412 /nfs/dbraw/zinc/34/14/12/1083341412.db2.gz JUUKKCIFEUKRMB-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1nc(Cl)ccc1Cl ZINC000255670343 1083374910 /nfs/dbraw/zinc/37/49/10/1083374910.db2.gz FYVDAERIABJEJD-UTCJRWHESA-N -1 1 367.217 4.256 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 ZINC000799919012 1083386409 /nfs/dbraw/zinc/38/64/09/1083386409.db2.gz HXEKKBBLNHYKRS-UHFFFAOYSA-N -1 1 359.419 4.201 20 0 FIADMM CCCOc1c(Cl)cc(CN2CCC(C)(C(=O)[O-])CC2)cc1OCC ZINC000647463487 1083620691 /nfs/dbraw/zinc/62/06/91/1083620691.db2.gz HIQLERIAKOLIOL-UHFFFAOYSA-N -1 1 369.889 4.214 20 0 FIADMM O=C([O-])c1cccc(Cl)c1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000584475387 1083741781 /nfs/dbraw/zinc/74/17/81/1083741781.db2.gz HGBUXYTWZLVJCH-LLVKDONJSA-N -1 1 351.780 4.306 20 0 FIADMM Cc1c(C(=O)[N-]NC(=O)c2ccc(Cl)cc2)oc2c1c(C)ccc2C ZINC000065890393 1083762439 /nfs/dbraw/zinc/76/24/39/1083762439.db2.gz VRSFGJIWHJXMGP-UHFFFAOYSA-N -1 1 356.809 4.086 20 0 FIADMM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CSc1ncc(C)c(=O)[n-]1 ZINC000657261792 1084116604 /nfs/dbraw/zinc/11/66/04/1084116604.db2.gz XFWWPIRNFDEWRR-UHFFFAOYSA-N -1 1 374.897 4.298 20 0 FIADMM CCc1nc(SCc2nc(-c3cccc(Cl)c3)no2)[n-]c(=O)c1C ZINC000657263905 1084128133 /nfs/dbraw/zinc/12/81/33/1084128133.db2.gz FLMIAUFYEFJJGQ-UHFFFAOYSA-N -1 1 362.842 4.049 20 0 FIADMM CCc1nc(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)[n-]c(=O)c1C ZINC000657263608 1084131058 /nfs/dbraw/zinc/13/10/58/1084131058.db2.gz JQBMFGNTWVSZOR-JTQLQIEISA-N -1 1 368.405 4.018 20 0 FIADMM C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)c2nccn21 ZINC000843601681 1084312761 /nfs/dbraw/zinc/31/27/61/1084312761.db2.gz JLKYPPDKZGPYPQ-KCJUWKMLSA-N -1 1 360.191 4.104 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1sccc1OC(F)F ZINC000105370088 1084393868 /nfs/dbraw/zinc/39/38/68/1084393868.db2.gz CAMHDAGLSRXLJI-UHFFFAOYSA-N -1 1 359.404 4.182 20 0 FIADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000051467804 1084709549 /nfs/dbraw/zinc/70/95/49/1084709549.db2.gz RAQPYYGVSGHTLA-KXBFYZLASA-N -1 1 359.853 4.286 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cc1 ZINC000066588468 1084727165 /nfs/dbraw/zinc/72/71/65/1084727165.db2.gz VJTZAQNLCKILLC-UHFFFAOYSA-N -1 1 357.403 4.005 20 0 FIADMM CC(C)n1c(CNC(=O)CSc2ccc3ccccc3c2)n[n-]c1=S ZINC000066640626 1084830844 /nfs/dbraw/zinc/83/08/44/1084830844.db2.gz SDAXLYPUDIJIKC-UHFFFAOYSA-N -1 1 372.519 4.083 20 0 FIADMM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1c(F)ccc([O-])c1F ZINC000684829103 1084894815 /nfs/dbraw/zinc/89/48/15/1084894815.db2.gz IHSOROPXAMTHIS-UHFFFAOYSA-N -1 1 361.344 4.354 20 0 FIADMM O=C(Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1Cl)c1ccco1 ZINC000175202645 1084900360 /nfs/dbraw/zinc/90/03/60/1084900360.db2.gz VNVLEAKAIFVUGJ-UHFFFAOYSA-N -1 1 374.755 4.282 20 0 FIADMM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cc(F)c([O-])c(F)c1 ZINC000175321165 1084921653 /nfs/dbraw/zinc/92/16/53/1084921653.db2.gz QXIDUWJJLVWJLI-VZUCSPMQSA-N -1 1 360.385 4.003 20 0 FIADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000175551486 1084965560 /nfs/dbraw/zinc/96/55/60/1084965560.db2.gz MTIBRXJKZMSIMQ-IYJVBRSBSA-N -1 1 367.470 4.116 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000175672872 1084981698 /nfs/dbraw/zinc/98/16/98/1084981698.db2.gz UMDFQLAESLNWEO-UHFFFAOYSA-N -1 1 373.396 4.129 20 0 FIADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870195 1084995871 /nfs/dbraw/zinc/99/58/71/1084995871.db2.gz RJSOYTRDXAQCKG-ZDUSSCGKSA-N -1 1 353.365 4.378 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000684870221 1084996270 /nfs/dbraw/zinc/99/62/70/1084996270.db2.gz UCPXAQUBXBERPN-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@@H](c2ccccc2)O1 ZINC000684873361 1085003682 /nfs/dbraw/zinc/00/36/82/1085003682.db2.gz AVZUBBWJCNCBHG-PXAZEXFGSA-N -1 1 365.351 4.013 20 0 FIADMM COc1ccc(CC[C@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684872432 1085004097 /nfs/dbraw/zinc/00/40/97/1085004097.db2.gz UFRWAAQBHOFDJW-LBPRGKRZSA-N -1 1 367.367 4.171 20 0 FIADMM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873121 1085007544 /nfs/dbraw/zinc/00/75/44/1085007544.db2.gz UGRMSBMREXQJDL-YVEFUNNKSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(CCC(F)(F)F)CC1CC1 ZINC000684876414 1085018309 /nfs/dbraw/zinc/01/83/09/1085018309.db2.gz YRESCNPXDUXWDG-UHFFFAOYSA-N -1 1 355.278 4.216 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000511133666 1085052618 /nfs/dbraw/zinc/05/26/18/1085052618.db2.gz BLXAMIIFCOJDQW-UHFFFAOYSA-N -1 1 351.493 4.305 20 0 FIADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1F ZINC000468877040 1085295128 /nfs/dbraw/zinc/29/51/28/1085295128.db2.gz JIPSCQUWFXRIPP-UHFFFAOYSA-N -1 1 356.422 4.138 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1ccc(C(F)F)o1 ZINC001126004755 1085305564 /nfs/dbraw/zinc/30/55/64/1085305564.db2.gz YMVHCENYZHEOSA-UHFFFAOYSA-N -1 1 353.325 4.051 20 0 FIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000125655130 1085361124 /nfs/dbraw/zinc/36/11/24/1085361124.db2.gz JPPIZAAQDMYIBG-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001167775496 1085382310 /nfs/dbraw/zinc/38/23/10/1085382310.db2.gz NQJXHCNAUAXZRJ-UHFFFAOYSA-N -1 1 353.315 4.359 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c([O-])c1 ZINC001648916984 1085438320 /nfs/dbraw/zinc/43/83/20/1085438320.db2.gz ANOIRQZIZMHSPU-WMLDXEAASA-N -1 1 374.481 4.295 20 0 FIADMM Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078294490 1085692559 /nfs/dbraw/zinc/69/25/59/1085692559.db2.gz IWUDBWBPGODBBQ-KXBFYZLASA-N -1 1 374.488 4.140 20 0 FIADMM O=C([O-])c1ccc(CN2CCC(Cc3c(F)cccc3F)CC2)c(F)c1 ZINC000582796902 1085732028 /nfs/dbraw/zinc/73/20/28/1085732028.db2.gz CSJHWEASAYCZCA-UHFFFAOYSA-N -1 1 363.379 4.257 20 0 FIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=S)Nc1cccc(C)c1C ZINC000053795086 1085782413 /nfs/dbraw/zinc/78/24/13/1085782413.db2.gz MZMFUPHFMHFITC-UHFFFAOYSA-N -1 1 367.474 4.298 20 0 FIADMM CSc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC001625877817 1085836920 /nfs/dbraw/zinc/83/69/20/1085836920.db2.gz GPUKJNRDSPARTF-SNVBAGLBSA-N -1 1 366.280 4.368 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1c(C)noc1C ZINC000119388265 1085872589 /nfs/dbraw/zinc/87/25/89/1085872589.db2.gz PNHBJXXGEOWPBB-QMMMGPOBSA-N -1 1 369.295 4.089 20 0 FIADMM CC(C)(C)c1csc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)n1 ZINC001126164546 1085925462 /nfs/dbraw/zinc/92/54/62/1085925462.db2.gz DWUZNIKDWRUTLC-UHFFFAOYSA-N -1 1 362.455 4.351 20 0 FIADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCC[C@@H]1C(=O)[O-] ZINC000652364025 1085950431 /nfs/dbraw/zinc/95/04/31/1085950431.db2.gz VNBCXDMHCYGRQO-CYBMUJFWSA-N -1 1 370.396 4.186 20 0 FIADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCC[C@H]1C(=O)[O-] ZINC000652364026 1085950775 /nfs/dbraw/zinc/95/07/75/1085950775.db2.gz VNBCXDMHCYGRQO-ZDUSSCGKSA-N -1 1 370.396 4.186 20 0 FIADMM COc1ccc(CN(C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC(F)F ZINC000652388230 1085985930 /nfs/dbraw/zinc/98/59/30/1085985930.db2.gz AQBZTBKBQCRGEJ-NSHDSACASA-N -1 1 369.364 4.089 20 0 FIADMM COc1ccc(CN(C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC(F)F ZINC000652388229 1085985978 /nfs/dbraw/zinc/98/59/78/1085985978.db2.gz AQBZTBKBQCRGEJ-LLVKDONJSA-N -1 1 369.364 4.089 20 0 FIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc2cc(F)ccc2o1 ZINC001211679804 1085989303 /nfs/dbraw/zinc/98/93/03/1085989303.db2.gz SOTGGEQYMPSSSQ-LSDHHAIUSA-N -1 1 365.813 4.060 20 0 FIADMM CC(=O)c1ccc(SCC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000150718795 1086069238 /nfs/dbraw/zinc/06/92/38/1086069238.db2.gz ZYCGXRGWGRHALF-UHFFFAOYSA-N -1 1 353.802 4.118 20 0 FIADMM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1c([O-])cccc1F ZINC000184390582 1086101202 /nfs/dbraw/zinc/10/12/02/1086101202.db2.gz BSYNPBKFULBISH-GOSISDBHSA-N -1 1 356.784 4.099 20 0 FIADMM O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652512854 1086142826 /nfs/dbraw/zinc/14/28/26/1086142826.db2.gz QKWPRWAYZQYWKS-UFYCRDLUSA-N -1 1 355.409 4.019 20 0 FIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(F)c([O-])c(Cl)c3)[nH]c2c1 ZINC000184402296 1086156841 /nfs/dbraw/zinc/15/68/41/1086156841.db2.gz RFSGOCZJMVUUIK-MRXNPFEDSA-N -1 1 373.815 4.347 20 0 FIADMM O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc([O-])c(Cl)c1 ZINC000221616392 1086274546 /nfs/dbraw/zinc/27/45/46/1086274546.db2.gz VPJOJUXVEMVKKQ-YRNVUSSQSA-N -1 1 359.212 4.353 20 0 FIADMM O=C(Nc1ccccc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043147064 1086364440 /nfs/dbraw/zinc/36/44/40/1086364440.db2.gz HYQZZBVRHHAOAQ-UHFFFAOYSA-N -1 1 358.825 4.172 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CC(C)(C)c4ccccc43)nc2)[n-]c(=O)c1C ZINC000154877949 1086445048 /nfs/dbraw/zinc/44/50/48/1086445048.db2.gz RXFCNBQHYRGDJS-SFHVURJKSA-N -1 1 360.461 4.283 20 0 FIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C4CC4)cc3)c2)n1 ZINC000583244606 1086458276 /nfs/dbraw/zinc/45/82/76/1086458276.db2.gz DYAWCFGZBSWYAJ-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM CCOc1cc(C(=O)Nc2nc3cc(C)ccc3n2CC)cc(Cl)c1[O-] ZINC000545137229 1086650764 /nfs/dbraw/zinc/65/07/64/1086650764.db2.gz CMAVMIRNBWSVEV-UHFFFAOYSA-N -1 1 373.840 4.375 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccc2ncccc21 ZINC000536042001 1086717634 /nfs/dbraw/zinc/71/76/34/1086717634.db2.gz NEARUASJCBBWFH-UHFFFAOYSA-N -1 1 354.822 4.014 20 0 FIADMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000038021390 1086785298 /nfs/dbraw/zinc/78/52/98/1086785298.db2.gz PWGKCUKFJRGDLR-UHFFFAOYSA-N -1 1 352.228 4.006 20 0 FIADMM Cc1c2cccc(F)c2oc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000024219133 1086788698 /nfs/dbraw/zinc/78/86/98/1086788698.db2.gz RVPQKZBPOSDXQD-UHFFFAOYSA-N -1 1 368.316 4.049 20 0 FIADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1 ZINC000583655897 1086903866 /nfs/dbraw/zinc/90/38/66/1086903866.db2.gz XCMRHKSVHUGWGT-ARJAWSKDSA-N -1 1 354.431 4.484 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000583666118 1086907855 /nfs/dbraw/zinc/90/78/55/1086907855.db2.gz GIRQTKFOTCRQON-UHFFFAOYSA-N -1 1 364.225 4.080 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)s1 ZINC000584066286 1087149968 /nfs/dbraw/zinc/14/99/68/1087149968.db2.gz NYSQYDYFCJKYQD-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000084460734 1087350260 /nfs/dbraw/zinc/35/02/60/1087350260.db2.gz VIRIDKGWKRBESC-UHFFFAOYSA-N -1 1 368.458 4.379 20 0 FIADMM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1c(F)ccc([O-])c1F ZINC000685445139 1087570171 /nfs/dbraw/zinc/57/01/71/1087570171.db2.gz HJTGEBOJKIREOY-KRWDZBQOSA-N -1 1 367.395 4.427 20 0 FIADMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000263397795 1087579068 /nfs/dbraw/zinc/57/90/68/1087579068.db2.gz HDPIXBXILMPQSF-JTQLQIEISA-N -1 1 354.269 4.083 20 0 FIADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000263397795 1087579070 /nfs/dbraw/zinc/57/90/70/1087579070.db2.gz HDPIXBXILMPQSF-JTQLQIEISA-N -1 1 354.269 4.083 20 0 FIADMM COc1cc(-c2noc([C@H]3CCC[C@@H](F)C3)n2)cc(Br)c1[O-] ZINC000424358989 1087944113 /nfs/dbraw/zinc/94/41/13/1087944113.db2.gz PNTDCZGTRYFPPP-WCBMZHEXSA-N -1 1 371.206 4.209 20 0 FIADMM C[C@@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H]1C(=O)[O-] ZINC000424419391 1087971688 /nfs/dbraw/zinc/97/16/88/1087971688.db2.gz OSYNYNRLMYAFTD-IAQYHMDHSA-N -1 1 350.871 4.149 20 0 FIADMM CCOc1cc(C(=O)NCc2cc(-c3ccccc3)on2)cc(Cl)c1[O-] ZINC000186759083 1087982830 /nfs/dbraw/zinc/98/28/30/1087982830.db2.gz ISYQYAREKUANOG-UHFFFAOYSA-N -1 1 372.808 4.029 20 0 FIADMM CCOc1cc(C(=O)NC(C)(C)c2ccccc2OC)cc(Cl)c1[O-] ZINC000186779203 1087988467 /nfs/dbraw/zinc/98/84/67/1087988467.db2.gz VVTFBBHIICJSOB-UHFFFAOYSA-N -1 1 363.841 4.118 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)cc(Cl)c1[O-] ZINC000186790399 1087990281 /nfs/dbraw/zinc/99/02/81/1087990281.db2.gz DHYMCALEKXYNCI-SNVBAGLBSA-N -1 1 368.886 4.351 20 0 FIADMM CSc1ncc(Cl)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)n1 ZINC000187239839 1088118406 /nfs/dbraw/zinc/11/84/06/1088118406.db2.gz MYLHFPRQAJQLKK-UHFFFAOYSA-N -1 1 360.826 4.068 20 0 FIADMM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc([O-])cc1F ZINC000181905485 1088865903 /nfs/dbraw/zinc/86/59/03/1088865903.db2.gz ALOAKICDBZXVGO-UHFFFAOYSA-N -1 1 350.393 4.077 20 0 FIADMM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613665996 1089251204 /nfs/dbraw/zinc/25/12/04/1089251204.db2.gz ZLFWITDEEYZRJY-UHFFFAOYSA-N -1 1 362.216 4.270 20 0 FIADMM C[C@H]1CCc2c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)csc2C1 ZINC000613665801 1089253281 /nfs/dbraw/zinc/25/32/81/1089253281.db2.gz XHWJCOAPIRFBNE-NSHDSACASA-N -1 1 353.447 4.221 20 0 FIADMM CC(C)c1nccn1Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000514666429 1089341348 /nfs/dbraw/zinc/34/13/48/1089341348.db2.gz PZOFZUKKBLBXKI-UHFFFAOYSA-N -1 1 371.387 4.291 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000514793695 1089476404 /nfs/dbraw/zinc/47/64/04/1089476404.db2.gz OSHVZPLWRPWEQC-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc12 ZINC000435499806 1089716880 /nfs/dbraw/zinc/71/68/80/1089716880.db2.gz CXYTXSLUDGWENO-UHFFFAOYSA-N -1 1 374.224 4.118 20 0 FIADMM CCCCOc1ccc(-c2nnc(CSc3ncc(C)c(=O)[n-]3)o2)cc1 ZINC000565242782 1089730460 /nfs/dbraw/zinc/73/04/60/1089730460.db2.gz SHEJUFAKEULOAC-UHFFFAOYSA-N -1 1 372.450 4.012 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]3c3c(F)cccc3F)nc2)[n-]c(=O)c1C ZINC000435566819 1089757446 /nfs/dbraw/zinc/75/74/46/1089757446.db2.gz BYFBKFPVDPUJRZ-CZUORRHYSA-N -1 1 368.387 4.107 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000435718317 1089907713 /nfs/dbraw/zinc/90/77/13/1089907713.db2.gz WLVPDAMOUQVJAP-UHFFFAOYSA-N -1 1 372.309 4.109 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC000756331964 1089908354 /nfs/dbraw/zinc/90/83/54/1089908354.db2.gz DAZPQEWPQSZQCU-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2csc(C(F)(F)F)n2)s1 ZINC000187902174 1090078396 /nfs/dbraw/zinc/07/83/96/1090078396.db2.gz JOPKKPAKXNZMHS-UHFFFAOYSA-N -1 1 350.391 4.169 20 0 FIADMM COc1ccc(F)c(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000417562747 1090921457 /nfs/dbraw/zinc/92/14/57/1090921457.db2.gz CTJMDPWPXXAPSR-INIZCTEOSA-N -1 1 371.330 4.159 20 0 FIADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000417567728 1090929669 /nfs/dbraw/zinc/92/96/69/1090929669.db2.gz JMHLVFVBUGJFQV-SFHVURJKSA-N -1 1 355.482 4.203 20 0 FIADMM O=C([O-])[C@H]1C[C@@H](NCc2cc(Cl)ccc2OC(F)F)c2ccccc21 ZINC000417624784 1090947719 /nfs/dbraw/zinc/94/77/19/1090947719.db2.gz LBKUZTHWRMAPOO-LSDHHAIUSA-N -1 1 367.779 4.344 20 0 FIADMM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000417708280 1090966732 /nfs/dbraw/zinc/96/67/32/1090966732.db2.gz RQMCTQCWDKCKFX-OAHLLOKOSA-N -1 1 356.447 4.289 20 0 FIADMM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000759779791 1091080138 /nfs/dbraw/zinc/08/01/38/1091080138.db2.gz QEQWDJMZSWZUTI-LBPRGKRZSA-N -1 1 368.861 4.021 20 0 FIADMM CSc1nsc([N-]C(=O)c2csc(-c3cccc(Cl)c3)n2)n1 ZINC000500231798 1091119916 /nfs/dbraw/zinc/11/99/16/1091119916.db2.gz UJTJRNORUFQSAM-UHFFFAOYSA-N -1 1 368.896 4.289 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C(F)(F)F ZINC000500308514 1091262251 /nfs/dbraw/zinc/26/22/51/1091262251.db2.gz XBTKQWQDBLZSST-UHFFFAOYSA-N -1 1 372.393 4.424 20 0 FIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000511712897 1091557541 /nfs/dbraw/zinc/55/75/41/1091557541.db2.gz CEKXLYRMQVSIRY-UHFFFAOYSA-N -1 1 374.437 4.100 20 0 FIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000511727092 1091567241 /nfs/dbraw/zinc/56/72/41/1091567241.db2.gz NEIJFDAMTSYRNG-GFCCVEGCSA-N -1 1 369.870 4.327 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000511716537 1091569930 /nfs/dbraw/zinc/56/99/30/1091569930.db2.gz UTJQHSXVAXOYHP-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM CCc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000043333630 1091583300 /nfs/dbraw/zinc/58/33/00/1091583300.db2.gz UZDXHIMYFXWEDB-UHFFFAOYSA-N -1 1 352.434 4.081 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c2ccccc12 ZINC000182258427 1091598283 /nfs/dbraw/zinc/59/82/83/1091598283.db2.gz XTHPKPZXYPWGMG-UHFFFAOYSA-N -1 1 368.458 4.216 20 0 FIADMM FC(F)(F)c1nc(=NCC[C@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000432160831 1091761855 /nfs/dbraw/zinc/76/18/55/1091761855.db2.gz BODQFFHACGZDTO-SECBINFHSA-N -1 1 355.307 4.127 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1F ZINC000021311212 1091822189 /nfs/dbraw/zinc/82/21/89/1091822189.db2.gz ZWXRGLGSMRSSRE-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(Br)ccc1Cl)c1cccs1 ZINC000236422934 1091959018 /nfs/dbraw/zinc/95/90/18/1091959018.db2.gz KRSSWXMTZGFSRY-GFCCVEGCSA-N -1 1 374.687 4.470 20 0 FIADMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC(C)(C)C1 ZINC001211705676 1091961090 /nfs/dbraw/zinc/96/10/90/1091961090.db2.gz VIEMEYMWGQFYEC-NEPJUHHUSA-N -1 1 363.445 4.235 20 0 FIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000024431877 1091994736 /nfs/dbraw/zinc/99/47/36/1091994736.db2.gz QASNLLSNLRMUEJ-UHFFFAOYSA-N -1 1 366.870 4.125 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432643610 1092022482 /nfs/dbraw/zinc/02/24/82/1092022482.db2.gz JXHWCQNEDFISAZ-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)c1cccc(F)c1 ZINC000500595285 1092265659 /nfs/dbraw/zinc/26/56/59/1092265659.db2.gz VLRSRERVUGODMO-UHFFFAOYSA-N -1 1 366.230 4.001 20 0 FIADMM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000521056094 1092451368 /nfs/dbraw/zinc/45/13/68/1092451368.db2.gz QATDIQQBQFVGJM-OAHLLOKOSA-N -1 1 361.438 4.010 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)s1 ZINC000152041543 1092474794 /nfs/dbraw/zinc/47/47/94/1092474794.db2.gz GIEUPIOVWPUOHI-UHFFFAOYSA-N -1 1 362.842 4.441 20 0 FIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442230811 1092504365 /nfs/dbraw/zinc/50/43/65/1092504365.db2.gz GEBQIOHHYSAUCT-UHFFFAOYSA-N -1 1 368.792 4.276 20 0 FIADMM Cc1nc(-c2ccc(N(C)Cc3ccc(F)c(Cl)c3)nc2)[n-]c(=O)c1C ZINC000432873195 1092655606 /nfs/dbraw/zinc/65/56/06/1092655606.db2.gz AFLNDBCMEZBOCK-UHFFFAOYSA-N -1 1 372.831 4.290 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)CCC(=O)c3cc(C)sc3C)[nH][n-]2)s1 ZINC000500859084 1092657599 /nfs/dbraw/zinc/65/75/99/1092657599.db2.gz LQRTUFMQFBAIND-UHFFFAOYSA-N -1 1 373.503 4.148 20 0 FIADMM O=C(C[C@H](c1cccs1)n1cccc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000473320931 1092734395 /nfs/dbraw/zinc/73/43/95/1092734395.db2.gz AXCTURWHLUEZPH-CQSZACIVSA-N -1 1 368.487 4.041 20 0 FIADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000442740195 1092744401 /nfs/dbraw/zinc/74/44/01/1092744401.db2.gz RYOUZSGHVKMAKZ-LLVKDONJSA-N -1 1 351.805 4.417 20 0 FIADMM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067072154 1092792009 /nfs/dbraw/zinc/79/20/09/1092792009.db2.gz WHAGUNLJPUSXTO-PLSXKVAHSA-N -1 1 374.510 4.028 20 0 FIADMM COc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc(Cl)c1[O-] ZINC000442850691 1092793707 /nfs/dbraw/zinc/79/37/07/1092793707.db2.gz DPNCYDHTILIDDW-UHFFFAOYSA-N -1 1 358.781 4.325 20 0 FIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000521693703 1092860098 /nfs/dbraw/zinc/86/00/98/1092860098.db2.gz UZXMDWYHBHLZEQ-YROGDUDOSA-N -1 1 368.449 4.386 20 0 FIADMM COc1cc(C(=O)N(Cc2ccc(F)cc2)C(C)C)cc(Cl)c1[O-] ZINC000442942737 1092878238 /nfs/dbraw/zinc/87/82/38/1092878238.db2.gz LFHBVSMFSAARMN-UHFFFAOYSA-N -1 1 351.805 4.244 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000442967402 1092894382 /nfs/dbraw/zinc/89/43/82/1092894382.db2.gz NKFRYUIEANGKRA-HXUWFJFHSA-N -1 1 359.853 4.248 20 0 FIADMM COc1cc(C(=O)NCc2cccc(-c3cccnc3)c2)cc(Cl)c1[O-] ZINC000443110647 1092945342 /nfs/dbraw/zinc/94/53/42/1092945342.db2.gz PCOXZAQPHWWQSY-UHFFFAOYSA-N -1 1 368.820 4.046 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)cc(Cl)c1[O-] ZINC000443131197 1092956591 /nfs/dbraw/zinc/95/65/91/1092956591.db2.gz OHJJTROLUXJBQM-CYBMUJFWSA-N -1 1 351.874 4.487 20 0 FIADMM CN(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000521901723 1092961689 /nfs/dbraw/zinc/96/16/89/1092961689.db2.gz YQNJZWWCKSEKAU-UHFFFAOYSA-N -1 1 352.459 4.124 20 0 FIADMM COc1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc(Cl)c1[O-] ZINC000443278728 1093030334 /nfs/dbraw/zinc/03/03/34/1093030334.db2.gz WWTGOLVFEQNGKH-UHFFFAOYSA-N -1 1 359.731 4.411 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCC(C)C)cc1 ZINC000025348900 1093164383 /nfs/dbraw/zinc/16/43/83/1093164383.db2.gz RVNFCSIJTPWLPO-HNNXBMFYSA-N -1 1 360.527 4.247 20 0 FIADMM CN(C)c1cc(Cl)cc(Cl)c1CN1CCC(CCC(=O)[O-])CC1 ZINC000665343733 1093214910 /nfs/dbraw/zinc/21/49/10/1093214910.db2.gz RQHXJIDCGHRXMG-UHFFFAOYSA-N -1 1 359.297 4.136 20 0 FIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000033597150 1093231644 /nfs/dbraw/zinc/23/16/44/1093231644.db2.gz IORQNYJLGWSZHW-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094085097 1093302191 /nfs/dbraw/zinc/30/21/91/1093302191.db2.gz ORMKDLKWAYNNFZ-UHFFFAOYSA-N -1 1 355.394 4.033 20 0 FIADMM [O-]c1cccc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c1Cl ZINC000645166846 1093344677 /nfs/dbraw/zinc/34/46/77/1093344677.db2.gz TYBOMEFBMNSVGJ-UHFFFAOYSA-N -1 1 354.841 4.253 20 0 FIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1ncoc1C1CC1 ZINC000509866186 1093618413 /nfs/dbraw/zinc/61/84/13/1093618413.db2.gz CEOVRQCMTCOMQQ-UHFFFAOYSA-N -1 1 364.789 4.115 20 0 FIADMM Cc1ccc(-c2noc([C@H](C)NCc3cccc([O-])c3Cl)n2)cc1F ZINC000513163688 1093955528 /nfs/dbraw/zinc/95/55/28/1093955528.db2.gz BJPQDWGHBGRMKS-NSHDSACASA-N -1 1 361.804 4.394 20 0 FIADMM CCNC(=O)Nc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000433736181 1094074977 /nfs/dbraw/zinc/07/49/77/1094074977.db2.gz QLLBALKQILTJQC-UHFFFAOYSA-N -1 1 362.817 4.139 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3ccoc3Cl)n2)cc1 ZINC000433847211 1094134324 /nfs/dbraw/zinc/13/43/24/1094134324.db2.gz PYDBYYZCRRJNQB-UHFFFAOYSA-N -1 1 351.840 4.426 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1F ZINC000501177347 1094546165 /nfs/dbraw/zinc/54/61/65/1094546165.db2.gz JOQYCNBVJVLQGM-LURJTMIESA-N -1 1 372.245 4.373 20 0 FIADMM CCOC(=O)c1csc([N-]c2ncnc3oc(-c4ccccc4)cc32)n1 ZINC000502735124 1095770410 /nfs/dbraw/zinc/77/04/10/1095770410.db2.gz ZPWPLQINMCYNLD-UHFFFAOYSA-N -1 1 366.402 4.267 20 0 FIADMM C[C@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1OCc1ccccc1Cl ZINC000414686249 1096472014 /nfs/dbraw/zinc/47/20/14/1096472014.db2.gz UZVPXIKWXOKHMW-GFCCVEGCSA-N -1 1 368.260 4.477 20 0 FIADMM O=c1[n-]c(-c2nnc(-c3ccccc3)o2)nc2cc(Cl)c(Cl)cc12 ZINC000504501625 1096792246 /nfs/dbraw/zinc/79/22/46/1096792246.db2.gz COWVMXPSZRBWCS-UHFFFAOYSA-N -1 1 359.172 4.359 20 0 FIADMM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[N-]c1nncs1 ZINC000436133152 1098760313 /nfs/dbraw/zinc/76/03/13/1098760313.db2.gz CAUNDGFGYXJDPJ-UHFFFAOYSA-N -1 1 355.206 4.061 20 0 FIADMM O=c1cc(C2CC2)nc(SCc2csc(Cc3ccccc3)n2)[n-]1 ZINC000436242921 1098849834 /nfs/dbraw/zinc/84/98/34/1098849834.db2.gz UOWNCSZLSRBKIA-UHFFFAOYSA-N -1 1 355.488 4.399 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)c1 ZINC000515694430 1098855976 /nfs/dbraw/zinc/85/59/76/1098855976.db2.gz OLCUQNPKVCKYER-UHFFFAOYSA-N -1 1 357.834 4.377 20 0 FIADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533340935 1098974379 /nfs/dbraw/zinc/97/43/79/1098974379.db2.gz FGSKUXIBEABCDX-MEDUHNTESA-N -1 1 350.340 4.029 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(-c2cccnc2)s1 ZINC000546021861 1099003656 /nfs/dbraw/zinc/00/36/56/1099003656.db2.gz WEQVGDLECIQOKE-UHFFFAOYSA-N -1 1 362.414 4.421 20 0 FIADMM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000436484374 1099060922 /nfs/dbraw/zinc/06/09/22/1099060922.db2.gz HSOLOBACEZFTQZ-UHFFFAOYSA-N -1 1 365.404 4.120 20 0 FIADMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436486042 1099063211 /nfs/dbraw/zinc/06/32/11/1099063211.db2.gz ITDPFNALFQHPFL-UGKGYDQZSA-N -1 1 361.441 4.443 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000436513323 1099073371 /nfs/dbraw/zinc/07/33/71/1099073371.db2.gz MNHHYTPRUFRTPA-HNNXBMFYSA-N -1 1 367.832 4.492 20 0 FIADMM CCOc1ccccc1C1=CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436526830 1099083461 /nfs/dbraw/zinc/08/34/61/1099083461.db2.gz GPXVGTZQOMGDLK-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1c1cccc(F)c1 ZINC000436549433 1099095923 /nfs/dbraw/zinc/09/59/23/1099095923.db2.gz FGODXIDUDFGHJL-HNNXBMFYSA-N -1 1 364.214 4.271 20 0 FIADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549235 1099096013 /nfs/dbraw/zinc/09/60/13/1099096013.db2.gz UJDVQVBVRFWYAP-TZMCWYRMSA-N -1 1 360.251 4.173 20 0 FIADMM Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1C(=O)NC(C)C ZINC000436553774 1099099483 /nfs/dbraw/zinc/09/94/83/1099099483.db2.gz CPUVKKBLZCGBJY-UHFFFAOYSA-N -1 1 362.429 4.244 20 0 FIADMM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1[O-] ZINC000436540149 1099105436 /nfs/dbraw/zinc/10/54/36/1099105436.db2.gz QIOHTASZYZAQDH-INIZCTEOSA-N -1 1 357.797 4.026 20 0 FIADMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436576659 1099112366 /nfs/dbraw/zinc/11/23/66/1099112366.db2.gz QAPMHNCFEJRECA-UHFFFAOYSA-N -1 1 371.440 4.062 20 0 FIADMM COc1ccc(OC(F)F)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436559319 1099113586 /nfs/dbraw/zinc/11/35/86/1099113586.db2.gz ZXMKTDTZYXQZBH-UHFFFAOYSA-N -1 1 359.328 4.408 20 0 FIADMM CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436562873 1099115214 /nfs/dbraw/zinc/11/52/14/1099115214.db2.gz KXHVGBIORCDKDB-UHFFFAOYSA-N -1 1 363.417 4.328 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000436566647 1099116364 /nfs/dbraw/zinc/11/63/64/1099116364.db2.gz WZGYDISKYZJKSG-UHFFFAOYSA-N -1 1 357.413 4.111 20 0 FIADMM CN(CCCOc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436597007 1099127570 /nfs/dbraw/zinc/12/75/70/1099127570.db2.gz SSRACXNNPGHIAU-UHFFFAOYSA-N -1 1 353.393 4.226 20 0 FIADMM COc1cccc(C=C2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c1 ZINC000436579006 1099129171 /nfs/dbraw/zinc/12/91/71/1099129171.db2.gz BDSNSVZDWJJPSM-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000436588582 1099135522 /nfs/dbraw/zinc/13/55/22/1099135522.db2.gz HYQBFYAHQISGIA-XOBRGWDASA-N -1 1 365.404 4.287 20 0 FIADMM CCc1nc(-c2ccccc2NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000436608822 1099142157 /nfs/dbraw/zinc/14/21/57/1099142157.db2.gz QESVAPFFGBHGAI-UHFFFAOYSA-N -1 1 358.401 4.145 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000436609450 1099143242 /nfs/dbraw/zinc/14/32/42/1099143242.db2.gz LNPZETJDBRGYMC-VSKRKVRLSA-N -1 1 373.452 4.190 20 0 FIADMM CCOC(=O)C1CCC(N(CC)C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436614419 1099148066 /nfs/dbraw/zinc/14/80/66/1099148066.db2.gz XIONFIGGHMFQKP-UHFFFAOYSA-N -1 1 369.461 4.129 20 0 FIADMM COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436621138 1099169935 /nfs/dbraw/zinc/16/99/35/1099169935.db2.gz BDUVEUSRUPXPBA-UHFFFAOYSA-N -1 1 351.358 4.151 20 0 FIADMM C[C@H](Nc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1)c1ccccc1 ZINC000436667817 1099196597 /nfs/dbraw/zinc/19/65/97/1099196597.db2.gz VXQULDQTVXTOFU-HNNXBMFYSA-N -1 1 360.413 4.387 20 0 FIADMM CCCn1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)nc2ccccc21 ZINC000436671245 1099201974 /nfs/dbraw/zinc/20/19/74/1099201974.db2.gz JSSJFGFTRYZVBP-UHFFFAOYSA-N -1 1 359.813 4.066 20 0 FIADMM CC(C)(C)c1csc(CCNC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436672264 1099203565 /nfs/dbraw/zinc/20/35/65/1099203565.db2.gz MTERCSIGVDUXRO-UHFFFAOYSA-N -1 1 354.475 4.272 20 0 FIADMM COc1cccc([C@@H]2CCCN2C(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436680608 1099214652 /nfs/dbraw/zinc/21/46/52/1099214652.db2.gz OCDFAZYZFYKITI-INIZCTEOSA-N -1 1 361.825 4.040 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000436685143 1099217820 /nfs/dbraw/zinc/21/78/20/1099217820.db2.gz AMBDSDZUGFMTEP-LJQANCHMSA-N -1 1 367.832 4.413 20 0 FIADMM CCCN(CCc1cccs1)C(=O)c1cc(Br)ccc1[O-] ZINC000436686374 1099220878 /nfs/dbraw/zinc/22/08/78/1099220878.db2.gz GTFUGHBQFZMVBV-UHFFFAOYSA-N -1 1 368.296 4.311 20 0 FIADMM O=C(Nc1ccc(Cl)cc1[O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC000533616370 1099232583 /nfs/dbraw/zinc/23/25/83/1099232583.db2.gz UTAOPSJPOCRGQM-UHFFFAOYSA-N -1 1 371.799 4.111 20 0 FIADMM O=C(Nc1ccc(F)cc1Nc1ccccc1F)C(=O)c1ccc([O-])cc1 ZINC000436707754 1099240022 /nfs/dbraw/zinc/24/00/22/1099240022.db2.gz PROGUXBPHOXXTE-UHFFFAOYSA-N -1 1 368.339 4.235 20 0 FIADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000436739206 1099260951 /nfs/dbraw/zinc/26/09/51/1099260951.db2.gz NOHRRISMELBWBB-OAHLLOKOSA-N -1 1 354.233 4.159 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCCN(c2ccccc2Cl)CC1 ZINC000436731124 1099268057 /nfs/dbraw/zinc/26/80/57/1099268057.db2.gz NUDIZUNHBJHAAY-UHFFFAOYSA-N -1 1 365.260 4.052 20 0 FIADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436731961 1099270054 /nfs/dbraw/zinc/27/00/54/1099270054.db2.gz RRNMUODBURLLRB-LURJTMIESA-N -1 1 350.749 4.012 20 0 FIADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])[C@H]1c1cccs1 ZINC000436747080 1099279781 /nfs/dbraw/zinc/27/97/81/1099279781.db2.gz JSBFXIKPRSWEPO-AWEZNQCLSA-N -1 1 366.280 4.440 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000436751919 1099286668 /nfs/dbraw/zinc/28/66/68/1099286668.db2.gz OPGUNIVIVLUACN-HNNXBMFYSA-N -1 1 367.342 4.397 20 0 FIADMM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436756356 1099291564 /nfs/dbraw/zinc/29/15/64/1099291564.db2.gz CLOFTKGGCXSVMP-UHFFFAOYSA-N -1 1 355.438 4.298 20 0 FIADMM O=C(NCCCCOCCc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436802942 1099331667 /nfs/dbraw/zinc/33/16/67/1099331667.db2.gz HFMHBSNISJMGRW-UHFFFAOYSA-N -1 1 363.457 4.315 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccc(Br)s1 ZINC000436835292 1099345307 /nfs/dbraw/zinc/34/53/07/1099345307.db2.gz CZEBOSOISXGOFF-LLVKDONJSA-N -1 1 370.243 4.333 20 0 FIADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(Br)cc1[O-] ZINC000436819614 1099346882 /nfs/dbraw/zinc/34/68/82/1099346882.db2.gz DONUYIINVVLUBK-MRVPVSSYSA-N -1 1 354.166 4.006 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3Br)n2)cc1F ZINC000436869954 1099380079 /nfs/dbraw/zinc/38/00/79/1099380079.db2.gz CKWAWHXYSUBTJD-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(-c4cncnc4)cc3F)n2)c(Cl)c1 ZINC000436873275 1099385291 /nfs/dbraw/zinc/38/52/91/1099385291.db2.gz ZQDXJHDUIDSBIB-UHFFFAOYSA-N -1 1 368.755 4.359 20 0 FIADMM CC(C)c1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c([O-])c1 ZINC000436894018 1099390609 /nfs/dbraw/zinc/39/06/09/1099390609.db2.gz QBRHMCWIESSSJQ-UHFFFAOYSA-N -1 1 351.446 4.224 20 0 FIADMM CC(C)(NC(=O)c1ccccc1)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436883406 1099400539 /nfs/dbraw/zinc/40/05/39/1099400539.db2.gz FNGRUWZBIAHPEQ-UHFFFAOYSA-N -1 1 373.412 4.261 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H](c3cccc(C)c3)C(C)C)no2)c1 ZINC000436888008 1099404200 /nfs/dbraw/zinc/40/42/00/1099404200.db2.gz SGDIZTROOSKYLJ-LJQANCHMSA-N -1 1 365.433 4.497 20 0 FIADMM O=C(Nc1ccc(-c2cnco2)cc1)c1cc(Br)ccc1[O-] ZINC000436908555 1099416814 /nfs/dbraw/zinc/41/68/14/1099416814.db2.gz JMRLOLZSZOFMGV-UHFFFAOYSA-N -1 1 359.179 4.062 20 0 FIADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000614880525 1099422126 /nfs/dbraw/zinc/42/21/26/1099422126.db2.gz JWYFIDMPNJDRQU-UHFFFAOYSA-N -1 1 355.406 4.072 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(Br)cn1 ZINC000436900025 1099424787 /nfs/dbraw/zinc/42/47/87/1099424787.db2.gz ATIUCJWKVPAJRE-NSHDSACASA-N -1 1 371.234 4.194 20 0 FIADMM Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436900161 1099425322 /nfs/dbraw/zinc/42/53/22/1099425322.db2.gz HFMZPLOYYOHRGL-UHFFFAOYSA-N -1 1 361.376 4.337 20 0 FIADMM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)C(=O)c1ccc([O-])cc1 ZINC000436930927 1099428009 /nfs/dbraw/zinc/42/80/09/1099428009.db2.gz IDDOLZVCHHCPFJ-UHFFFAOYSA-N -1 1 368.776 4.054 20 0 FIADMM O=C1C[C@H](c2noc(-c3ccc4ccccc4c3[O-])n2)CN1c1ccccc1 ZINC000436933548 1099448017 /nfs/dbraw/zinc/44/80/17/1099448017.db2.gz HYPVGTZHQLOJPV-HNNXBMFYSA-N -1 1 371.396 4.116 20 0 FIADMM [O-]c1c(-c2nc(-c3cc(OCC(F)F)ccn3)no2)ccc2ccccc21 ZINC000436961442 1099462366 /nfs/dbraw/zinc/46/23/66/1099462366.db2.gz UKMBDDSOSPVDOY-UHFFFAOYSA-N -1 1 369.327 4.301 20 0 FIADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436967100 1099463993 /nfs/dbraw/zinc/46/39/93/1099463993.db2.gz OJSBFRLDKJZRNZ-IBGZPJMESA-N -1 1 357.413 4.130 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3CCN(c4ccccc4F)C3)n2)c(Cl)c1 ZINC000436955454 1099473845 /nfs/dbraw/zinc/47/38/45/1099473845.db2.gz FZOYNYHZMMWCTQ-LLVKDONJSA-N -1 1 359.788 4.229 20 0 FIADMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc2ccccc2c1[O-] ZINC000436988237 1099491682 /nfs/dbraw/zinc/49/16/82/1099491682.db2.gz WVIVDXJVBHUYED-UHFFFAOYSA-N -1 1 374.440 4.214 20 0 FIADMM [O-]c1c(-c2nc(CCn3cnc4ccccc43)no2)ccc2ccccc21 ZINC000437004964 1099509689 /nfs/dbraw/zinc/50/96/89/1099509689.db2.gz XZYFSYJRWYJCDT-UHFFFAOYSA-N -1 1 356.385 4.188 20 0 FIADMM CC(=O)Oc1ccc(Nc2c(Cl)ccc(Br)c2[O-])cc1 ZINC001212087047 1099591250 /nfs/dbraw/zinc/59/12/50/1099591250.db2.gz ATMQOPNGRIBLIC-UHFFFAOYSA-N -1 1 356.603 4.477 20 0 FIADMM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(OC2CCCC2)c1 ZINC000263428888 1099790044 /nfs/dbraw/zinc/79/00/44/1099790044.db2.gz RMKFEEPEJJCHMS-UHFFFAOYSA-N -1 1 355.434 4.005 20 0 FIADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1C ZINC000536702988 1100208416 /nfs/dbraw/zinc/20/84/16/1100208416.db2.gz QHRSRJQBHFVQJY-UHFFFAOYSA-N -1 1 366.442 4.077 20 0 FIADMM CCOC(=O)[C@@H](Sc1nc(CC)c(C)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000517246648 1100218814 /nfs/dbraw/zinc/21/88/14/1100218814.db2.gz CYINDMMDGRSYJY-AWEZNQCLSA-N -1 1 366.870 4.103 20 0 FIADMM Cc1ccccc1Nc1nc(CN2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000517246604 1100219108 /nfs/dbraw/zinc/21/91/08/1100219108.db2.gz BRMKWHRJFQRHBQ-YCPHGPKFSA-N -1 1 359.495 4.269 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000517611205 1100526779 /nfs/dbraw/zinc/52/67/79/1100526779.db2.gz BFVQCIVSIFSMLW-UHFFFAOYSA-N -1 1 370.396 4.106 20 0 FIADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007056158 1100621943 /nfs/dbraw/zinc/62/19/43/1100621943.db2.gz KHBMOFWGRPVYSG-UHFFFAOYSA-N -1 1 354.815 4.172 20 0 FIADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000426007249 1100652611 /nfs/dbraw/zinc/65/26/11/1100652611.db2.gz JAHFDANJLUDIIG-UHFFFAOYSA-N -1 1 351.855 4.370 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)cs1 ZINC000517937694 1100805271 /nfs/dbraw/zinc/80/52/71/1100805271.db2.gz LUDJISAXGBZSRA-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ncsc1-c1ccccc1 ZINC000438670973 1100846728 /nfs/dbraw/zinc/84/67/28/1100846728.db2.gz LYUYXQJGRQFGLI-UHFFFAOYSA-N -1 1 362.414 4.158 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(C)C)c1 ZINC000518013382 1100863714 /nfs/dbraw/zinc/86/37/14/1100863714.db2.gz JKNGPDCJZIYPJI-UHFFFAOYSA-N -1 1 360.479 4.214 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccc2c(c1)CCC2 ZINC000438714375 1100876181 /nfs/dbraw/zinc/87/61/81/1100876181.db2.gz IKGUYTMLJIQITP-UHFFFAOYSA-N -1 1 366.442 4.163 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000438724582 1100885573 /nfs/dbraw/zinc/88/55/73/1100885573.db2.gz MSUUOGCOQRLVAX-UHFFFAOYSA-N -1 1 360.262 4.331 20 0 FIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c2)n1 ZINC000438761633 1100901815 /nfs/dbraw/zinc/90/18/15/1100901815.db2.gz RNBQQTBRHHZECI-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cccc3ncccc32)ccc1C(F)(F)F ZINC000438778798 1100913347 /nfs/dbraw/zinc/91/33/47/1100913347.db2.gz SHBGSPVSCNGEJG-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438803733 1100920628 /nfs/dbraw/zinc/92/06/28/1100920628.db2.gz GATVQJZKCMQCME-UHFFFAOYSA-N -1 1 372.259 4.342 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000509578828 1100972011 /nfs/dbraw/zinc/97/20/11/1100972011.db2.gz RWIFLLOSZDDUBU-UHFFFAOYSA-N -1 1 357.456 4.419 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3c(F)cccc3F)n2)cc1 ZINC000439114323 1101158520 /nfs/dbraw/zinc/15/85/20/1101158520.db2.gz LLROWENGYWJODF-UHFFFAOYSA-N -1 1 363.414 4.458 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC000537034308 1101410952 /nfs/dbraw/zinc/41/09/52/1101410952.db2.gz ZDBNTNMIAJFTRT-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1 ZINC000518741805 1101490666 /nfs/dbraw/zinc/49/06/66/1101490666.db2.gz KXMSHRNHBCAYGJ-UHFFFAOYSA-N -1 1 372.446 4.240 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c2cccnc12 ZINC000537196687 1101531251 /nfs/dbraw/zinc/53/12/51/1101531251.db2.gz HQSZWGIVTWYKAZ-UHFFFAOYSA-N -1 1 374.487 4.075 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000460131591 1101626391 /nfs/dbraw/zinc/62/63/91/1101626391.db2.gz PIQZEBAMXJTXOF-DIFFPNOSSA-N -1 1 363.816 4.417 20 0 FIADMM O=C([O-])c1ccccc1OCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000183929900 1101642231 /nfs/dbraw/zinc/64/22/31/1101642231.db2.gz KXUGOQOSYVWBRI-UHFFFAOYSA-N -1 1 363.413 4.082 20 0 FIADMM COc1cc(C(=O)Nc2ccc(Oc3ccccc3)nc2)cc(Cl)c1[O-] ZINC000460194209 1101695336 /nfs/dbraw/zinc/69/53/36/1101695336.db2.gz WSJMIURMRMVDFI-UHFFFAOYSA-N -1 1 370.792 4.494 20 0 FIADMM COc1cc(C(=O)NCCOc2cccc3ccccc32)cc(Cl)c1[O-] ZINC000460202595 1101703912 /nfs/dbraw/zinc/70/39/12/1101703912.db2.gz GESDDGGFAAFVEV-UHFFFAOYSA-N -1 1 371.820 4.016 20 0 FIADMM Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000506661486 1101708746 /nfs/dbraw/zinc/70/87/46/1101708746.db2.gz HOXQLFBEVBHBSD-UHFFFAOYSA-N -1 1 359.472 4.436 20 0 FIADMM COc1cc(C(=O)NCC(C)(C)c2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000460188430 1101712096 /nfs/dbraw/zinc/71/20/96/1101712096.db2.gz IMOYZKVGFQKMJA-UHFFFAOYSA-N -1 1 368.260 4.415 20 0 FIADMM O=C(Nc1nc2ccccc2n1CCCc1ccccc1)c1cncc([O-])c1 ZINC000518988781 1101787552 /nfs/dbraw/zinc/78/75/52/1101787552.db2.gz IRTXDRDLYYNFBY-UHFFFAOYSA-N -1 1 372.428 4.022 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1cccc(C(F)F)c1 ZINC000780397114 1101794189 /nfs/dbraw/zinc/79/41/89/1101794189.db2.gz JVNJDQYJUNLWOS-UHFFFAOYSA-N -1 1 350.346 4.080 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)ccc2[nH]1 ZINC000031721843 1101806393 /nfs/dbraw/zinc/80/63/93/1101806393.db2.gz QHRTZUBIFGZFGV-UHFFFAOYSA-N -1 1 370.352 4.176 20 0 FIADMM CCOc1cc(-c2noc([C@@H](C)Oc3cccnc3)n2)cc(Cl)c1[O-] ZINC000445431130 1101889135 /nfs/dbraw/zinc/88/91/35/1101889135.db2.gz MTOARAMYFQVTED-SNVBAGLBSA-N -1 1 361.785 4.029 20 0 FIADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cnc([C@@H]2CCCO2)s1 ZINC000760312934 1101902510 /nfs/dbraw/zinc/90/25/10/1101902510.db2.gz WZWIFDUWFYUEOR-NSHDSACASA-N -1 1 364.496 4.146 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)[nH]nc1C1CC1 ZINC000760322681 1101910033 /nfs/dbraw/zinc/91/00/33/1101910033.db2.gz LKLWBYBTFJMDBC-UHFFFAOYSA-N -1 1 359.495 4.444 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263186566 1101988351 /nfs/dbraw/zinc/98/83/51/1101988351.db2.gz UXEKDQYUVUJDDS-IRXDYDNUSA-N -1 1 360.498 4.022 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000475825826 1101988409 /nfs/dbraw/zinc/98/84/09/1101988409.db2.gz HMSFTPVUPGDDQL-UHFFFAOYSA-N -1 1 357.884 4.412 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263186560 1101988601 /nfs/dbraw/zinc/98/86/01/1101988601.db2.gz UXEKDQYUVUJDDS-DLBZAZTESA-N -1 1 360.498 4.022 20 0 FIADMM CCN(CC)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccco1 ZINC001625961164 1101999569 /nfs/dbraw/zinc/99/95/69/1101999569.db2.gz KDGQZUGLHDWFRW-AWEZNQCLSA-N -1 1 371.264 4.105 20 0 FIADMM CSc1ccc([O-])c(-c2nc(CCCOCCc3ccccc3)no2)c1 ZINC000664789605 1102086382 /nfs/dbraw/zinc/08/63/82/1102086382.db2.gz DQJWHSAXUOPWDS-UHFFFAOYSA-N -1 1 370.474 4.356 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000897992781 1102159344 /nfs/dbraw/zinc/15/93/44/1102159344.db2.gz GSTNJYBTMSXNRO-LLVKDONJSA-N -1 1 353.340 4.056 20 0 FIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000476573487 1102394356 /nfs/dbraw/zinc/39/43/56/1102394356.db2.gz XKWKZBXAQFEMLZ-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1cccc(C(F)F)c1 ZINC000780395162 1102475407 /nfs/dbraw/zinc/47/54/07/1102475407.db2.gz FJRQMHIHWKMMEP-UHFFFAOYSA-N -1 1 363.332 4.069 20 0 FIADMM O=C(Nc1cc(Cl)c(Br)cc1F)c1ccc([O-])c(F)c1 ZINC001168223649 1102545154 /nfs/dbraw/zinc/54/51/54/1102545154.db2.gz WUYKYMLBDSVODJ-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(N2CCc3ccccc3C2)cc1 ZINC000532620927 1102596279 /nfs/dbraw/zinc/59/62/79/1102596279.db2.gz IWBCACNOKOGWPH-UHFFFAOYSA-N -1 1 362.404 4.346 20 0 FIADMM CCC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000060915067 1102603825 /nfs/dbraw/zinc/60/38/25/1102603825.db2.gz SVJGDNULROHFDW-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000122891551 1102641770 /nfs/dbraw/zinc/64/17/70/1102641770.db2.gz MNTHTFOCZKXRSU-UHFFFAOYSA-N -1 1 361.850 4.095 20 0 FIADMM CC[C@@H](C)CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188715550 1102687001 /nfs/dbraw/zinc/68/70/01/1102687001.db2.gz SNXXJGALEZBRQO-CQSZACIVSA-N -1 1 360.479 4.171 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1 ZINC000112039723 1102759639 /nfs/dbraw/zinc/75/96/39/1102759639.db2.gz KAWAXWDSZAFEAQ-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM Cc1cc(F)ccc1-c1ccc(CN[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426705887 1102933030 /nfs/dbraw/zinc/93/30/30/1102933030.db2.gz QOUBAXGPJPYBHG-IBGZPJMESA-N -1 1 353.393 4.180 20 0 FIADMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426778743 1102982533 /nfs/dbraw/zinc/98/25/33/1102982533.db2.gz AKOQOFWLTIQVEE-CQSZACIVSA-N -1 1 370.522 4.079 20 0 FIADMM Cc1cc(C)cc(C[C@@H](NCc2ccc(-c3ccccc3F)o2)C(=O)[O-])c1 ZINC000426806160 1102987896 /nfs/dbraw/zinc/98/78/96/1102987896.db2.gz ASYYBXXSNRTHRC-HXUWFJFHSA-N -1 1 367.420 4.488 20 0 FIADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(Cl)c1 ZINC000426786740 1102990414 /nfs/dbraw/zinc/99/04/14/1102990414.db2.gz YDMIURXIGLJMBO-INIZCTEOSA-N -1 1 354.233 4.226 20 0 FIADMM O=C([O-])C[C@H](NCc1ccccc1Br)c1cccc(Cl)c1 ZINC000426791089 1102993043 /nfs/dbraw/zinc/99/30/43/1102993043.db2.gz HAXIHLMZIHCXBI-HNNXBMFYSA-N -1 1 368.658 4.408 20 0 FIADMM CCc1ccc([C@H](NCc2cc(C(F)(F)F)ccc2F)C(=O)[O-])cc1 ZINC000426794634 1102995944 /nfs/dbraw/zinc/99/59/44/1102995944.db2.gz SKPANPWNYKYSSR-INIZCTEOSA-N -1 1 355.331 4.322 20 0 FIADMM COc1ccc([C@H](NCc2c(Cl)oc3ccccc32)C(=O)[O-])cc1F ZINC000426829498 1103003406 /nfs/dbraw/zinc/00/34/06/1103003406.db2.gz PMWWSFDAWKYWQB-INIZCTEOSA-N -1 1 363.772 4.149 20 0 FIADMM O=C([O-])[C@@H](NCc1ccsc1Cl)c1ccc(Br)cc1 ZINC000426810115 1103004925 /nfs/dbraw/zinc/00/49/25/1103004925.db2.gz HUGNXDABGGXDBV-NSHDSACASA-N -1 1 360.660 4.080 20 0 FIADMM Cc1cccc([C@H](CC(=O)[O-])NCc2nc3c(s2)C[C@@H](C)CC3)c1C ZINC000426823187 1103018806 /nfs/dbraw/zinc/01/88/06/1103018806.db2.gz IDMLONSNYWKAPG-SJCJKPOMSA-N -1 1 358.507 4.190 20 0 FIADMM COc1cc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc(Cl)c1[O-] ZINC000426881400 1103069300 /nfs/dbraw/zinc/06/93/00/1103069300.db2.gz DNEXYPFHBGDCBR-NSHDSACASA-N -1 1 351.834 4.110 20 0 FIADMM COc1cc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)cc(Cl)c1[O-] ZINC000426881399 1103070622 /nfs/dbraw/zinc/07/06/22/1103070622.db2.gz DNEXYPFHBGDCBR-LLVKDONJSA-N -1 1 351.834 4.110 20 0 FIADMM O=S(=O)([N-]Cc1cc(C2CC2)ccc1F)c1cc2cc(F)ccc2o1 ZINC001211973914 1103125056 /nfs/dbraw/zinc/12/50/56/1103125056.db2.gz SFKXETRYGDTOGE-UHFFFAOYSA-N -1 1 363.385 4.067 20 0 FIADMM [O-]c1ccc(-c2noc(C3(Cc4cccc(F)c4)CCOCC3)n2)cc1F ZINC000551415757 1103193706 /nfs/dbraw/zinc/19/37/06/1103193706.db2.gz QNJCBQCUUNZLJC-UHFFFAOYSA-N -1 1 372.371 4.011 20 0 FIADMM CCSc1ccc(CN(C[C@H](C)C(=O)[O-])C2CC2)c(Br)c1 ZINC000629363704 1103221686 /nfs/dbraw/zinc/22/16/86/1103221686.db2.gz GQWHSMOPWDFMQZ-NSHDSACASA-N -1 1 372.328 4.246 20 0 FIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000477225737 1103260151 /nfs/dbraw/zinc/26/01/51/1103260151.db2.gz WSKNPIZJBHUHAG-UHFFFAOYSA-N -1 1 374.437 4.270 20 0 FIADMM CC(C)N(Cc1cccc([O-])c1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000507293586 1103275451 /nfs/dbraw/zinc/27/54/51/1103275451.db2.gz BESFQXJRODGJAQ-UHFFFAOYSA-N -1 1 357.841 4.105 20 0 FIADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H](C)C1(F)F ZINC000629364870 1103304505 /nfs/dbraw/zinc/30/45/05/1103304505.db2.gz QLNLDZZXVHERPZ-RWEMILLDSA-N -1 1 352.208 4.342 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c(C)cc1C ZINC000427300282 1103423435 /nfs/dbraw/zinc/42/34/35/1103423435.db2.gz COAKZAJGNCQLKH-UHFFFAOYSA-N -1 1 362.476 4.031 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427299334 1103423857 /nfs/dbraw/zinc/42/38/57/1103423857.db2.gz LTESYTGLUPSNOH-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000477384687 1103447326 /nfs/dbraw/zinc/44/73/26/1103447326.db2.gz ZLWYPHNXGGHUEY-UHFFFAOYSA-N -1 1 355.463 4.151 20 0 FIADMM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC000427510234 1103616250 /nfs/dbraw/zinc/61/62/50/1103616250.db2.gz WFFGHOVVFPFZPV-OAHLLOKOSA-N -1 1 362.429 4.296 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000477577529 1103682249 /nfs/dbraw/zinc/68/22/49/1103682249.db2.gz JKTHLYFWDYKZFW-UHFFFAOYSA-N -1 1 364.401 4.480 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1Br ZINC000445461796 1103984169 /nfs/dbraw/zinc/98/41/69/1103984169.db2.gz IHCSYHXBOKIEHE-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000461119185 1104118280 /nfs/dbraw/zinc/11/82/80/1104118280.db2.gz UNFYOMGRUBQGFO-UHFFFAOYSA-N -1 1 367.898 4.412 20 0 FIADMM [O-]C(=Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2Cl)ns1 ZINC000520320205 1104264973 /nfs/dbraw/zinc/26/49/73/1104264973.db2.gz PNAXHGUDIIFHOU-UHFFFAOYSA-N -1 1 364.257 4.115 20 0 FIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1Cl ZINC000441372675 1104313363 /nfs/dbraw/zinc/31/33/63/1104313363.db2.gz PRJDLNLXIFSOEM-UHFFFAOYSA-N -1 1 367.854 4.051 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(C2CC2)cc1Cl ZINC000655601081 1104820168 /nfs/dbraw/zinc/82/01/68/1104820168.db2.gz FQFCVSTVNZPEFW-UHFFFAOYSA-N -1 1 355.818 4.166 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000189814863 1104845829 /nfs/dbraw/zinc/84/58/29/1104845829.db2.gz LQOYRWQQGKVLEY-UHFFFAOYSA-N -1 1 359.425 4.254 20 0 FIADMM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000614622548 1105047942 /nfs/dbraw/zinc/04/79/42/1105047942.db2.gz UIIOCJLOUIFIRT-VXNVDRBHSA-N -1 1 366.291 4.250 20 0 FIADMM CC(C)CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000417696914 1105089147 /nfs/dbraw/zinc/08/91/47/1105089147.db2.gz CNFFSASACHBGQX-UHFFFAOYSA-N -1 1 368.477 4.372 20 0 FIADMM O=C([O-])c1ccc(CNCc2cccc(OC3CCCC3)c2)nc1C1CC1 ZINC000417711874 1105102812 /nfs/dbraw/zinc/10/28/12/1105102812.db2.gz WIJXWXHLIKLNPY-UHFFFAOYSA-N -1 1 366.461 4.268 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)c4ncccc34)cc2s1 ZINC000427751810 1105266871 /nfs/dbraw/zinc/26/68/71/1105266871.db2.gz IJMNFKHZJKNQDL-UHFFFAOYSA-N -1 1 369.471 4.262 20 0 FIADMM COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2ncccc2[O-])c1 ZINC000427918234 1105313769 /nfs/dbraw/zinc/31/37/69/1105313769.db2.gz UVEOEOWUKMZVLY-DENIHFKCSA-N -1 1 374.440 4.167 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2cccc3[nH]ccc32)cc(Cl)c1[O-] ZINC000427961841 1105329269 /nfs/dbraw/zinc/32/92/69/1105329269.db2.gz BKYUKWZTGAXNKE-UHFFFAOYSA-N -1 1 358.825 4.198 20 0 FIADMM O=S(=O)([N-]c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccsc1 ZINC000508193847 1105354316 /nfs/dbraw/zinc/35/43/16/1105354316.db2.gz JVMUIIFRFVBXJY-UHFFFAOYSA-N -1 1 355.444 4.092 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000530007623 1106748279 /nfs/dbraw/zinc/74/82/79/1106748279.db2.gz YTKSTFKCHKJIEU-UHFFFAOYSA-N -1 1 356.397 4.302 20 0 FIADMM COCCOc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1C(C)C ZINC000530133987 1106864267 /nfs/dbraw/zinc/86/42/67/1106864267.db2.gz IZUHMSKXKXTUSG-UHFFFAOYSA-N -1 1 369.508 4.006 20 0 FIADMM C[C@H](c1ccc(CN2CCc3occc3[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000530167181 1106875317 /nfs/dbraw/zinc/87/53/17/1106875317.db2.gz VNFSMWACEHUUGQ-BZNIZROVSA-N -1 1 353.340 4.129 20 0 FIADMM Cc1cc(Br)c(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1Cl ZINC000530172485 1106902455 /nfs/dbraw/zinc/90/24/55/1106902455.db2.gz HWQNADGEDIVAMH-ZSBIGDGJSA-N -1 1 374.706 4.485 20 0 FIADMM Cc1cc2ccccc2c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000451080614 1106919977 /nfs/dbraw/zinc/91/99/77/1106919977.db2.gz KRNJOKMQBBORGV-UHFFFAOYSA-N -1 1 358.463 4.376 20 0 FIADMM CCN(Cc1cccc(F)c1)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301351253 1107001421 /nfs/dbraw/zinc/00/14/21/1107001421.db2.gz KBEOMCNRJTZRPK-UHFFFAOYSA-N -1 1 352.413 4.027 20 0 FIADMM CCOCc1ccccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301357229 1107002704 /nfs/dbraw/zinc/00/27/04/1107002704.db2.gz KYRHFFVHCYRXKU-UHFFFAOYSA-N -1 1 364.449 4.010 20 0 FIADMM Cc1nc(-c2ccc(NC[C@@H](C)c3ccc(F)cc3F)nc2)[n-]c(=O)c1C ZINC000301477823 1107043749 /nfs/dbraw/zinc/04/37/49/1107043749.db2.gz UIYVLJWZMPGCAQ-LLVKDONJSA-N -1 1 370.403 4.355 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](c4ccccc4)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301599981 1107083833 /nfs/dbraw/zinc/08/38/33/1107083833.db2.gz YRIDZFKRZQCWLW-QFBILLFUSA-N -1 1 360.461 4.243 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2nc(C3CC3)ns2)c1)c1ccccc1 ZINC000301969155 1107232368 /nfs/dbraw/zinc/23/23/68/1107232368.db2.gz ZWSYREAVNVENOC-UHFFFAOYSA-N -1 1 373.459 4.009 20 0 FIADMM CCc1c([N-]c2nn3cc(-c4cccnc4)nc3s2)cnn1CC(C)C ZINC000302146970 1107317605 /nfs/dbraw/zinc/31/76/05/1107317605.db2.gz GVDJZLHZCQDPJH-UHFFFAOYSA-N -1 1 367.482 4.011 20 0 FIADMM CSCc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000302514951 1107379391 /nfs/dbraw/zinc/37/93/91/1107379391.db2.gz UYBCWAPKQQMJPI-UHFFFAOYSA-N -1 1 366.490 4.336 20 0 FIADMM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000444402940 1107555399 /nfs/dbraw/zinc/55/53/99/1107555399.db2.gz VPGQZIFYUXTBSL-PIGZYNQJSA-N -1 1 366.244 4.301 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000063879496 1107653508 /nfs/dbraw/zinc/65/35/08/1107653508.db2.gz WMIPSAFOLWQATE-UHFFFAOYSA-N -1 1 372.471 4.177 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(N2CCCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000303372036 1107657322 /nfs/dbraw/zinc/65/73/22/1107657322.db2.gz LTGVOEFLILWWDX-UHFFFAOYSA-N -1 1 372.824 4.019 20 0 FIADMM O=S(=O)([N-]CCCCCOC1CCCCC1)c1cc2ccccc2o1 ZINC000531248169 1107694507 /nfs/dbraw/zinc/69/45/07/1107694507.db2.gz KXDHGEJVYWVTBK-UHFFFAOYSA-N -1 1 365.495 4.231 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000531330057 1107772013 /nfs/dbraw/zinc/77/20/13/1107772013.db2.gz FQPGTOJFVUWLCO-UHFFFAOYSA-N -1 1 363.461 4.214 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1 ZINC000444510198 1107977602 /nfs/dbraw/zinc/97/76/02/1107977602.db2.gz BMDFJXHFFVJUEW-FQEVSTJZSA-N -1 1 372.424 4.143 20 0 FIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2)n1 ZINC000523726709 1108462447 /nfs/dbraw/zinc/46/24/47/1108462447.db2.gz KXGTXOGASGXYMD-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000016099466 1108676862 /nfs/dbraw/zinc/67/68/62/1108676862.db2.gz ZCOYYWQWDLMEBI-UHFFFAOYSA-N -1 1 357.403 4.005 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3cnccc3C)n2)cc(Cl)c1[O-] ZINC000445411042 1108722287 /nfs/dbraw/zinc/72/22/87/1108722287.db2.gz LTAWCKXWXFVMKL-PLNGDYQASA-N -1 1 357.797 4.368 20 0 FIADMM COc1cc(-c2noc(/C=C/c3ccccc3)n2)cc(Br)c1[O-] ZINC000445396832 1108724618 /nfs/dbraw/zinc/72/46/18/1108724618.db2.gz ZJOYKGHLTDMYOT-BQYQJAHWSA-N -1 1 373.206 4.384 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000532267096 1108738093 /nfs/dbraw/zinc/73/80/93/1108738093.db2.gz BWMIUYOIWWHTRF-CHWSQXEVSA-N -1 1 350.187 4.036 20 0 FIADMM CCOc1cc(-c2noc(CCCC[C@@H](C)C(C)=O)n2)cc(Cl)c1[O-] ZINC000445428453 1108739780 /nfs/dbraw/zinc/73/97/80/1108739780.db2.gz VDEOUZDNLRUWPU-LLVKDONJSA-N -1 1 366.845 4.432 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCOc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445432502 1108742364 /nfs/dbraw/zinc/74/23/64/1108742364.db2.gz SYGXWLLLOQTYPU-CYBMUJFWSA-N -1 1 372.808 4.409 20 0 FIADMM CCOc1cc(-c2noc(-c3ccnc(SC)c3)n2)cc(Cl)c1[O-] ZINC000445431608 1108742517 /nfs/dbraw/zinc/74/25/17/1108742517.db2.gz OZMDCUJSIKUGDE-UHFFFAOYSA-N -1 1 363.826 4.278 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3cccc(O)c3)n2)cc(Cl)c1[O-] ZINC000445429950 1108742566 /nfs/dbraw/zinc/74/25/66/1108742566.db2.gz DCTRQHHDYIYJCZ-VOTSOKGWSA-N -1 1 358.781 4.370 20 0 FIADMM COc1ccc(C[C@@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445450323 1108753416 /nfs/dbraw/zinc/75/34/16/1108753416.db2.gz RZNHUSJQFHWZHI-LLVKDONJSA-N -1 1 374.824 4.459 20 0 FIADMM CO[C@H](C)c1nc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000445450626 1108753478 /nfs/dbraw/zinc/75/34/78/1108753478.db2.gz ZKIPDDJPXFEEID-MRVPVSSYSA-N -1 1 351.815 4.235 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4cccnc4)n3)n2)c(Cl)c1 ZINC000445451284 1108756214 /nfs/dbraw/zinc/75/62/14/1108756214.db2.gz CULQGMUVVIMCSB-UHFFFAOYSA-N -1 1 370.821 4.205 20 0 FIADMM [O-]c1ccc(-c2noc(CCn3ccc4cc(Cl)ccc43)n2)cc1F ZINC000445478404 1108798427 /nfs/dbraw/zinc/79/84/27/1108798427.db2.gz QNBSFCWEVCGFKT-UHFFFAOYSA-N -1 1 357.772 4.432 20 0 FIADMM C[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(=O)c1ccc(Cl)cc1 ZINC000445480799 1108799336 /nfs/dbraw/zinc/79/93/36/1108799336.db2.gz JSVPREVBRVWOOC-JTQLQIEISA-N -1 1 360.772 4.296 20 0 FIADMM Cc1oc(-c2ccccc2)nc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479720 1108799402 /nfs/dbraw/zinc/79/94/02/1108799402.db2.gz KGYHWVGLWQQENR-UHFFFAOYSA-N -1 1 351.337 4.136 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1-c1cccc(C)c1 ZINC000445479354 1108800005 /nfs/dbraw/zinc/80/00/05/1108800005.db2.gz HBFUAQWDPUWTHI-UHFFFAOYSA-N -1 1 350.353 4.051 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(-c4noc(C5CC5)n4)c3)n2)cc1F ZINC000445481791 1108801545 /nfs/dbraw/zinc/80/15/45/1108801545.db2.gz QILODLVVICJDDB-UHFFFAOYSA-N -1 1 364.336 4.176 20 0 FIADMM COc1ccc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CCC2)cc1OC ZINC000445482299 1108802165 /nfs/dbraw/zinc/80/21/65/1108802165.db2.gz SETACBAXOOXQIO-UHFFFAOYSA-N -1 1 370.380 4.069 20 0 FIADMM CCCc1ccc(C(=O)CCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445483468 1108804094 /nfs/dbraw/zinc/80/40/94/1108804094.db2.gz VZKHUMGSXYDPHA-UHFFFAOYSA-N -1 1 354.381 4.349 20 0 FIADMM C/C=C\c1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)c(OC)c1 ZINC000445474703 1108813128 /nfs/dbraw/zinc/81/31/28/1108813128.db2.gz RHPCGDRMVHJBNL-ARJAWSKDSA-N -1 1 356.353 4.202 20 0 FIADMM COc1cc(-c2noc(C(F)=C3CCCC3)n2)cc(Br)c1[O-] ZINC000645564020 1108832896 /nfs/dbraw/zinc/83/28/96/1108832896.db2.gz ITHXEURSIGOXKE-UHFFFAOYSA-N -1 1 369.190 4.468 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000171341126 1108841312 /nfs/dbraw/zinc/84/13/12/1108841312.db2.gz KOZXMFYNUJUYGS-UHFFFAOYSA-N -1 1 368.458 4.004 20 0 FIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000524345785 1108971529 /nfs/dbraw/zinc/97/15/29/1108971529.db2.gz WQXQJBQDALRECZ-UHFFFAOYSA-N -1 1 357.479 4.261 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000016149105 1108976890 /nfs/dbraw/zinc/97/68/90/1108976890.db2.gz DTRBDVRMFYRHFY-UHFFFAOYSA-N -1 1 368.188 4.396 20 0 FIADMM Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c(Cl)c1 ZINC000446073699 1109105344 /nfs/dbraw/zinc/10/53/44/1109105344.db2.gz UFXUJROIJGIMNC-UHFFFAOYSA-N -1 1 350.871 4.318 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000524741637 1109140988 /nfs/dbraw/zinc/14/09/88/1109140988.db2.gz ZUTDWUFHKGHBGL-UHFFFAOYSA-N -1 1 351.874 4.247 20 0 FIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc2ncccc2c1 ZINC000525020583 1109233739 /nfs/dbraw/zinc/23/37/39/1109233739.db2.gz JDUJMZWGPMZRDQ-UHFFFAOYSA-N -1 1 366.364 4.140 20 0 FIADMM C[C@@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000525064036 1109246090 /nfs/dbraw/zinc/24/60/90/1109246090.db2.gz HKLUCZFUZIRYQK-CVEARBPZSA-N -1 1 372.490 4.252 20 0 FIADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525531978 1109420232 /nfs/dbraw/zinc/42/02/32/1109420232.db2.gz UFJHDUPMOGKVFN-UHFFFAOYSA-N -1 1 356.447 4.215 20 0 FIADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000447261665 1109489725 /nfs/dbraw/zinc/48/97/25/1109489725.db2.gz AGXQZHAMWBAJFT-UHFFFAOYSA-N -1 1 372.849 4.109 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cc(F)c(F)cc1F ZINC000447270876 1109492838 /nfs/dbraw/zinc/49/28/38/1109492838.db2.gz NHIWJYQNTHUZSE-UHFFFAOYSA-N -1 1 371.311 4.304 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447780019 1109641302 /nfs/dbraw/zinc/64/13/02/1109641302.db2.gz VMOPPGXHGZGPCX-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CCCC12CC2 ZINC000527955007 1109874475 /nfs/dbraw/zinc/87/44/75/1109874475.db2.gz VKDHHUXFCNURST-GOSISDBHSA-N -1 1 370.474 4.006 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CCCC12CC2 ZINC000527955009 1109874498 /nfs/dbraw/zinc/87/44/98/1109874498.db2.gz VKDHHUXFCNURST-SFHVURJKSA-N -1 1 370.474 4.006 20 0 FIADMM CCOc1cc(-c2noc(C[C@H](C)c3ccncc3)n2)cc(Cl)c1[O-] ZINC000528166459 1109924077 /nfs/dbraw/zinc/92/40/77/1109924077.db2.gz KXJPPTNUGPEIAN-NSHDSACASA-N -1 1 359.813 4.236 20 0 FIADMM CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000529539692 1110284552 /nfs/dbraw/zinc/28/45/52/1110284552.db2.gz SMAVHGWEKBLYCL-ZDUSSCGKSA-N -1 1 374.868 4.176 20 0 FIADMM Cn1nc2c(c1C(=O)Nc1cc(Cl)c([O-])c3ccccc13)CCCC2 ZINC000529538406 1110286644 /nfs/dbraw/zinc/28/66/44/1110286644.db2.gz BZWIOLOBIRQNCQ-UHFFFAOYSA-N -1 1 355.825 4.063 20 0 FIADMM CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538524 1110286763 /nfs/dbraw/zinc/28/67/63/1110286763.db2.gz COMFZKOGTZSIKN-KRWDZBQOSA-N -1 1 374.868 4.319 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1Cl ZINC000007362223 1110296053 /nfs/dbraw/zinc/29/60/53/1110296053.db2.gz GMUKHRHQPDPNHX-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1c(F)ccc([O-])c1F ZINC000538387763 1111118987 /nfs/dbraw/zinc/11/89/87/1111118987.db2.gz SKWGFZAUPCPZKY-UHFFFAOYSA-N -1 1 374.318 4.036 20 0 FIADMM Cc1nc(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)[n-]c(=O)c1C ZINC000538515861 1111176804 /nfs/dbraw/zinc/17/68/04/1111176804.db2.gz VDQCZERTYFFHQH-SNVBAGLBSA-N -1 1 362.842 4.356 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2sc(C(F)(F)F)nc2C)s1 ZINC000461909435 1111416721 /nfs/dbraw/zinc/41/67/21/1111416721.db2.gz UQWVJPQMZVIBJY-UHFFFAOYSA-N -1 1 364.418 4.307 20 0 FIADMM CCOc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000552196290 1111611094 /nfs/dbraw/zinc/61/10/94/1111611094.db2.gz YHVAGDFCHFGADU-UHFFFAOYSA-N -1 1 370.630 4.459 20 0 FIADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000478067963 1111676525 /nfs/dbraw/zinc/67/65/25/1111676525.db2.gz NISZXBVBAMDBOB-AZUAARDMSA-N -1 1 372.490 4.108 20 0 FIADMM O=C(c1cncc([O-])c1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000552765209 1111801885 /nfs/dbraw/zinc/80/18/85/1111801885.db2.gz KUWDGMHMFVTSNS-HOCLYGCPSA-N -1 1 373.250 4.236 20 0 FIADMM CCOc1cc(C(=O)Nc2cc3cccnc3c(OC)c2)cc(Cl)c1[O-] ZINC000553227950 1111932632 /nfs/dbraw/zinc/93/26/32/1111932632.db2.gz JUEMZABSTOMXRV-UHFFFAOYSA-N -1 1 372.808 4.253 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)ccc2o1 ZINC000553260091 1111935376 /nfs/dbraw/zinc/93/53/76/1111935376.db2.gz WXPMJFHAUWUFJR-UHFFFAOYSA-N -1 1 370.352 4.264 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000479115094 1111948992 /nfs/dbraw/zinc/94/89/92/1111948992.db2.gz JYBRCDOLFTUBML-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479267828 1111982749 /nfs/dbraw/zinc/98/27/49/1111982749.db2.gz AJLVGOXKARFUEA-UHFFFAOYSA-N -1 1 358.897 4.429 20 0 FIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000554661727 1112438648 /nfs/dbraw/zinc/43/86/48/1112438648.db2.gz YIGILFXVPFDCMY-UHFFFAOYSA-N -1 1 361.488 4.192 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000827973326 1112443735 /nfs/dbraw/zinc/44/37/35/1112443735.db2.gz JMWRDPMDQPWDGD-LBPRGKRZSA-N -1 1 367.070 4.376 20 0 FIADMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000064952635 1112637617 /nfs/dbraw/zinc/63/76/17/1112637617.db2.gz HOULFYCMDSIHNV-QMMMGPOBSA-N -1 1 368.282 4.104 20 0 FIADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cnc(C2CC2)s1 ZINC000600183978 1112918857 /nfs/dbraw/zinc/91/88/57/1112918857.db2.gz RWAXGYGHTVCGNA-UHFFFAOYSA-N -1 1 360.489 4.276 20 0 FIADMM Cc1ccccc1OC1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142643515 1112963498 /nfs/dbraw/zinc/96/34/98/1112963498.db2.gz XVRMSWLMOCVKIR-UHFFFAOYSA-N -1 1 359.853 4.390 20 0 FIADMM CCOC(=O)COc1ccc(-c2nc3scc(C(C)C)c3c(=O)[n-]2)cc1 ZINC000481523457 1112968972 /nfs/dbraw/zinc/96/89/72/1112968972.db2.gz YMYZCCURFYQJAA-UHFFFAOYSA-N -1 1 372.446 4.129 20 0 FIADMM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000899767864 1112986191 /nfs/dbraw/zinc/98/61/91/1112986191.db2.gz UAZBOHXUMLWJHM-NVXWUHKLSA-N -1 1 360.498 4.122 20 0 FIADMM CCSc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(Br)c1 ZINC000629491986 1113048083 /nfs/dbraw/zinc/04/80/83/1113048083.db2.gz WAOXJEWJXWJKCR-AAEUAGOBSA-N -1 1 372.328 4.246 20 0 FIADMM CCOC(=O)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(C)(C)C ZINC000600530697 1113075848 /nfs/dbraw/zinc/07/58/48/1113075848.db2.gz ALSQVIGZXUEOIX-OAHLLOKOSA-N -1 1 360.479 4.228 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)sc1Cl ZINC000481879808 1113119162 /nfs/dbraw/zinc/11/91/62/1113119162.db2.gz BEORWTRUECDUOJ-UHFFFAOYSA-N -1 1 364.275 4.099 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc(Cl)c1[O-] ZINC000481986569 1113145198 /nfs/dbraw/zinc/14/51/98/1113145198.db2.gz TYQGLRHQQIZOOA-GXSJLCMTSA-N -1 1 365.779 4.247 20 0 FIADMM CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482553106 1113292917 /nfs/dbraw/zinc/29/29/17/1113292917.db2.gz MGMKXQPQJYYZEX-CQSZACIVSA-N -1 1 363.255 4.292 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CSc2ccccc2)c1 ZINC000482611357 1113313128 /nfs/dbraw/zinc/31/31/28/1113313128.db2.gz XPMWQUPTTKWMTO-UHFFFAOYSA-N -1 1 352.253 4.194 20 0 FIADMM CC[C@H](C(=O)Nc1cc(C)cc(Br)c1[O-])c1c(C)noc1C ZINC000482627330 1113313554 /nfs/dbraw/zinc/31/35/54/1113313554.db2.gz CXVCIACOKSRVSF-NSHDSACASA-N -1 1 367.243 4.200 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000482732970 1113344427 /nfs/dbraw/zinc/34/44/27/1113344427.db2.gz CTCGSJQBMDHUMZ-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM CCN(Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1)C(C)=O ZINC000486250199 1113533021 /nfs/dbraw/zinc/53/30/21/1113533021.db2.gz AVBUYNVKENRXLW-UHFFFAOYSA-N -1 1 361.829 4.058 20 0 FIADMM O=C(NCCCc1ccc(Cl)cc1)c1ccc(Br)c([O-])c1 ZINC000486281103 1113539598 /nfs/dbraw/zinc/53/95/98/1113539598.db2.gz OMKANVYJEFQRLR-UHFFFAOYSA-N -1 1 368.658 4.171 20 0 FIADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000486772303 1113639486 /nfs/dbraw/zinc/63/94/86/1113639486.db2.gz QDGGBHKCEUSOKX-INIZCTEOSA-N -1 1 374.278 4.310 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCc2sccc21 ZINC000908709066 1113687486 /nfs/dbraw/zinc/68/74/86/1113687486.db2.gz HIQVHIFARXIGPP-SNVBAGLBSA-N -1 1 352.253 4.275 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)cc1C(F)(F)F ZINC000488276018 1113900758 /nfs/dbraw/zinc/90/07/58/1113900758.db2.gz CCCHCGQHXQZLHV-UHFFFAOYSA-N -1 1 359.369 4.077 20 0 FIADMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001212142426 1114068610 /nfs/dbraw/zinc/06/86/10/1114068610.db2.gz GHDHHMUFGKNCSQ-UHFFFAOYSA-N -1 1 361.916 4.037 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000489598007 1114141400 /nfs/dbraw/zinc/14/14/00/1114141400.db2.gz QSXJILOZHBULPM-UKRRQHHQSA-N -1 1 374.278 4.481 20 0 FIADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000055410561 1114471799 /nfs/dbraw/zinc/47/17/99/1114471799.db2.gz PHVVDCMJFHLFQO-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM CSCc1ccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000588046576 1114512180 /nfs/dbraw/zinc/51/21/80/1114512180.db2.gz LTCLWFAGTKSEKO-UHFFFAOYSA-N -1 1 355.381 4.204 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(C(F)F)cc2)CC1 ZINC000588214008 1114555709 /nfs/dbraw/zinc/55/57/09/1114555709.db2.gz NFNYFAWNKCCLFK-UHFFFAOYSA-N -1 1 359.372 4.065 20 0 FIADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3nc(-c4ccccc4)cs3)c2)c1 ZINC000588309975 1114574749 /nfs/dbraw/zinc/57/47/49/1114574749.db2.gz PNJZYPLTZHULQR-UHFFFAOYSA-N -1 1 361.426 4.241 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1 ZINC000588834264 1114655431 /nfs/dbraw/zinc/65/54/31/1114655431.db2.gz DONFSGRTBAKTMV-CYBMUJFWSA-N -1 1 357.435 4.051 20 0 FIADMM Cc1nc(-c2ccsc2)ccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000589690098 1114828115 /nfs/dbraw/zinc/82/81/15/1114828115.db2.gz JKGCVHYFMGXGGA-UHFFFAOYSA-N -1 1 366.471 4.244 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000573282205 1115083872 /nfs/dbraw/zinc/08/38/72/1115083872.db2.gz USYNMSLXEABMMZ-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)CCCCc1ccccc1 ZINC000573331269 1115096084 /nfs/dbraw/zinc/09/60/84/1115096084.db2.gz SGINIDRPTCLIEE-UHFFFAOYSA-N -1 1 365.477 4.209 20 0 FIADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000046127998 1115184435 /nfs/dbraw/zinc/18/44/35/1115184435.db2.gz OPJUJTSPQWWDOA-UHFFFAOYSA-N -1 1 360.414 4.091 20 0 FIADMM CCc1nc(SCc2ccc(Br)c(F)c2)[n-]c(=O)c1C ZINC000573982790 1115227607 /nfs/dbraw/zinc/22/76/07/1115227607.db2.gz ULCXRYZLVDQWNN-UHFFFAOYSA-N -1 1 357.248 4.247 20 0 FIADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)n2)cc1 ZINC000574448107 1115382436 /nfs/dbraw/zinc/38/24/36/1115382436.db2.gz VLUBTKAMPGMETE-UHFFFAOYSA-N -1 1 352.459 4.307 20 0 FIADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCC2(CCCCC2)C1 ZINC000574697366 1115438980 /nfs/dbraw/zinc/43/89/80/1115438980.db2.gz FYHVJZMYVQXSHQ-UHFFFAOYSA-N -1 1 355.482 4.301 20 0 FIADMM Cc1nc(SCC(=O)c2ccc([O-])c(O)c2)n(C2CCCCC2)c1C ZINC000060722044 1115694243 /nfs/dbraw/zinc/69/42/43/1115694243.db2.gz YWYNXXLIBPKMAN-UHFFFAOYSA-N -1 1 360.479 4.391 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)cc1 ZINC000060738648 1115696662 /nfs/dbraw/zinc/69/66/62/1115696662.db2.gz REIMMYHFZIBLJP-UHFFFAOYSA-N -1 1 363.382 4.108 20 0 FIADMM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1cc2ccccc2cc1[O-] ZINC000599346793 1115808954 /nfs/dbraw/zinc/80/89/54/1115808954.db2.gz DJFCNYHCPWQRPW-UHFFFAOYSA-N -1 1 351.793 4.005 20 0 FIADMM CCOc1ccc(-c2nc(C(=O)Nc3c([O-])cccc3F)cs2)cc1 ZINC000605440728 1115895560 /nfs/dbraw/zinc/89/55/60/1115895560.db2.gz ZGLZXXXJOSFJDE-UHFFFAOYSA-N -1 1 358.394 4.306 20 0 FIADMM Cc1ccc(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C ZINC000605446531 1115896210 /nfs/dbraw/zinc/89/62/10/1115896210.db2.gz GFTFCUJOZBSAEV-SNVBAGLBSA-N -1 1 356.369 4.181 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000605492623 1115904085 /nfs/dbraw/zinc/90/40/85/1115904085.db2.gz PKFOAGNJXWUMSP-LLVKDONJSA-N -1 1 351.855 4.027 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1Cl ZINC000605615332 1115911575 /nfs/dbraw/zinc/91/15/75/1115911575.db2.gz YQJJITQQLWCLPB-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000606928390 1115984848 /nfs/dbraw/zinc/98/48/48/1115984848.db2.gz DKKKEYNREIAQCG-UHFFFAOYSA-N -1 1 366.808 4.098 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2ncccc2c1 ZINC000607030524 1115993977 /nfs/dbraw/zinc/99/39/77/1115993977.db2.gz VEFPJGMQNUDNMQ-UHFFFAOYSA-N -1 1 353.230 4.342 20 0 FIADMM CCCCCC[C@@H](C)C(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000173140469 1116031789 /nfs/dbraw/zinc/03/17/89/1116031789.db2.gz PISJDVPIXQDCRZ-SNVBAGLBSA-N -1 1 367.544 4.455 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000607613771 1116049303 /nfs/dbraw/zinc/04/93/03/1116049303.db2.gz UASBTNCQDAPBFU-UHFFFAOYSA-N -1 1 359.369 4.002 20 0 FIADMM Cc1nc(-c2ccc(NCCC(C)(C)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000608080745 1116080980 /nfs/dbraw/zinc/08/09/80/1116080980.db2.gz NELJBOKNUDXWHV-UHFFFAOYSA-N -1 1 362.477 4.063 20 0 FIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000608341462 1116100483 /nfs/dbraw/zinc/10/04/83/1116100483.db2.gz FSTNCLRDQZYSEG-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000608352345 1116101361 /nfs/dbraw/zinc/10/13/61/1116101361.db2.gz UFFNHNLCGPERGS-UHFFFAOYSA-N -1 1 368.462 4.457 20 0 FIADMM CSCc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000608955618 1116140027 /nfs/dbraw/zinc/14/00/27/1116140027.db2.gz FMIDWDMFFCIWFN-UHFFFAOYSA-N -1 1 361.410 4.369 20 0 FIADMM COC(=O)c1ccc(-c2nc3ccc(Oc4ccccc4)cc3c(=O)[n-]2)cc1 ZINC000609046042 1116142456 /nfs/dbraw/zinc/14/24/56/1116142456.db2.gz MFPFNKUTVYOIGD-UHFFFAOYSA-N -1 1 372.380 4.169 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n[nH]c1-c1ccccc1 ZINC000534065012 1116151706 /nfs/dbraw/zinc/15/17/06/1116151706.db2.gz NSWIYIXFPYLDNX-UHFFFAOYSA-N -1 1 367.474 4.065 20 0 FIADMM COc1cc(C2(C(=O)Nc3ccc([O-])c(F)c3F)CCCC2)ccc1C ZINC000456796974 1116217166 /nfs/dbraw/zinc/21/71/66/1116217166.db2.gz XZNFJLUYGQXSQZ-UHFFFAOYSA-N -1 1 361.388 4.438 20 0 FIADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)c2cnn(C(C)C)c2n1 ZINC000456795075 1116219147 /nfs/dbraw/zinc/21/91/47/1116219147.db2.gz RZLOKNPPDYQDGI-UHFFFAOYSA-N -1 1 374.391 4.372 20 0 FIADMM O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1c(F)ccc([O-])c1F ZINC000457104691 1116248424 /nfs/dbraw/zinc/24/84/24/1116248424.db2.gz YIVRNEWRRKLVQB-YPMHNXCESA-N -1 1 351.780 4.390 20 0 FIADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000462486826 1116359634 /nfs/dbraw/zinc/35/96/34/1116359634.db2.gz SJAKUMHILKKZRQ-ZUZCIYMTSA-N -1 1 356.875 4.011 20 0 FIADMM CN(C)Cc1cnc(/C=C\c2nc(C(=O)[O-])c(-c3ccccc3)s2)s1 ZINC000504720851 1116360835 /nfs/dbraw/zinc/36/08/35/1116360835.db2.gz MNKFMHFZIRRLDJ-HJWRWDBZSA-N -1 1 371.487 4.197 20 0 FIADMM COc1cccc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000462788922 1117771772 /nfs/dbraw/zinc/77/17/72/1117771772.db2.gz HRJNEFXRJZMJPQ-AWEZNQCLSA-N -1 1 350.422 4.043 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc3ccccc3c2)n[nH]c1-c1ccccc1 ZINC000540209178 1117945131 /nfs/dbraw/zinc/94/51/31/1117945131.db2.gz PWCDPUIEKDOTKR-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM Cc1ccc(CC[C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)o1 ZINC000463080147 1117952190 /nfs/dbraw/zinc/95/21/90/1117952190.db2.gz SCQPEKQEVDSLQZ-GFCCVEGCSA-N -1 1 352.438 4.196 20 0 FIADMM COc1ccc(-c2ccc(-c3nc4ccc(OC)cc4c(=O)[n-]3)cc2)cc1 ZINC000463236441 1118044025 /nfs/dbraw/zinc/04/40/25/1118044025.db2.gz QNMKOBPJPVVLNW-UHFFFAOYSA-N -1 1 358.397 4.274 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(F)c1 ZINC000463534823 1118210158 /nfs/dbraw/zinc/21/01/58/1118210158.db2.gz XXBBURZGTMOJBK-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000463919365 1118371300 /nfs/dbraw/zinc/37/13/00/1118371300.db2.gz HJODNBWTZQDEAH-CVEARBPZSA-N -1 1 374.506 4.042 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1Cl ZINC000541165129 1118411531 /nfs/dbraw/zinc/41/15/31/1118411531.db2.gz NYSYOPQZHZJCMM-UHFFFAOYSA-N -1 1 358.246 4.305 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)cc1Cl ZINC000541166375 1118411902 /nfs/dbraw/zinc/41/19/02/1118411902.db2.gz YOTGZPYTYXYWMY-UHFFFAOYSA-N -1 1 374.245 4.005 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(SC)c(F)c2)c1 ZINC000541306289 1118468235 /nfs/dbraw/zinc/46/82/35/1118468235.db2.gz KSIHNBWSALMJHZ-UHFFFAOYSA-N -1 1 371.430 4.080 20 0 FIADMM CCOc1ccc(F)c([N-]C(=O)c2sc(C(F)(F)F)nc2C)c1F ZINC000464396146 1118544092 /nfs/dbraw/zinc/54/40/92/1118544092.db2.gz HJQUMEAMIKWCCL-UHFFFAOYSA-N -1 1 366.311 4.400 20 0 FIADMM Cc1csc([C@H]2CCCN(C(=O)c3cc4ccccc4cc3[O-])C2)n1 ZINC000174606882 1118933740 /nfs/dbraw/zinc/93/37/40/1118933740.db2.gz ZAXFZELDUHQDQJ-INIZCTEOSA-N -1 1 352.459 4.330 20 0 FIADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000913666797 1118957669 /nfs/dbraw/zinc/95/76/69/1118957669.db2.gz LBAVQMWNJYWNRW-KRWDZBQOSA-N -1 1 371.440 4.242 20 0 FIADMM COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)cc(Cl)c1[O-] ZINC000491596271 1118967423 /nfs/dbraw/zinc/96/74/23/1118967423.db2.gz IXZUMRCGALMKHZ-HNNXBMFYSA-N -1 1 351.855 4.339 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1cccc(Cl)c1Br ZINC000491608733 1118968623 /nfs/dbraw/zinc/96/86/23/1118968623.db2.gz ASXOFJICRJTOJF-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000185052365 1119638281 /nfs/dbraw/zinc/63/82/81/1119638281.db2.gz PZOCUGBMSORONX-CYBMUJFWSA-N -1 1 368.433 4.248 20 0 FIADMM Cc1[n-]c(S(=O)(=O)[C@H](C)c2ncc(C(C)(C)C)o2)nc1-c1ccccc1 ZINC000186841694 1119752144 /nfs/dbraw/zinc/75/21/44/1119752144.db2.gz OQAYNXAHVMWUPF-CYBMUJFWSA-N -1 1 373.478 4.206 20 0 FIADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190939180 1119954793 /nfs/dbraw/zinc/95/47/93/1119954793.db2.gz FGBWLUPEQOKZGK-UHFFFAOYSA-N -1 1 359.813 4.347 20 0 FIADMM COCCOc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000192204120 1120040132 /nfs/dbraw/zinc/04/01/32/1120040132.db2.gz XTTJLLYJLQZWMD-UHFFFAOYSA-N -1 1 350.802 4.023 20 0 FIADMM COc1cccc(OC)c1OCc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000494898417 1120362992 /nfs/dbraw/zinc/36/29/92/1120362992.db2.gz RJDMZAYQDOMAAB-UHFFFAOYSA-N -1 1 368.414 4.146 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000001323841 1120568174 /nfs/dbraw/zinc/56/81/74/1120568174.db2.gz XMEWECBJZOPGCV-UHFFFAOYSA-N -1 1 369.229 4.449 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1cccc(Cl)c1 ZINC000231209166 1120606525 /nfs/dbraw/zinc/60/65/25/1120606525.db2.gz VEFZZIUKNUDQGL-SECBINFHSA-N -1 1 354.631 4.299 20 0 FIADMM Cc1ncc(-c2ccccc2)cc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000762239893 1120818133 /nfs/dbraw/zinc/81/81/33/1120818133.db2.gz WBICZAIFPVCMCO-UHFFFAOYSA-N -1 1 362.433 4.237 20 0 FIADMM CC1(c2ccccc2)CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000495436750 1120820013 /nfs/dbraw/zinc/82/00/13/1120820013.db2.gz WNENPLGHLFSLGG-UHFFFAOYSA-N -1 1 374.278 4.349 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc(CCc3ccco3)no2)c([O-])c1 ZINC000762331540 1120876511 /nfs/dbraw/zinc/87/65/11/1120876511.db2.gz JSFLXIUCRJFBQU-UHFFFAOYSA-N -1 1 371.393 4.167 20 0 FIADMM O=c1nc(-c2ccc[nH]2)[n-]c2cc(-c3ccc(Br)cc3)sc21 ZINC000762443092 1120909464 /nfs/dbraw/zinc/90/94/64/1120909464.db2.gz SWCIJCZGEAZEAV-UHFFFAOYSA-N -1 1 372.247 4.409 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](CC)c2ccccc2OC)cc(Cl)c1[O-] ZINC000762573527 1120931466 /nfs/dbraw/zinc/93/14/66/1120931466.db2.gz ASECAYJGYJHOSF-HNNXBMFYSA-N -1 1 363.841 4.334 20 0 FIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000031669244 1121089629 /nfs/dbraw/zinc/08/96/29/1121089629.db2.gz MTLOMXMFLRMNGS-UHFFFAOYSA-N -1 1 374.506 4.379 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000032086259 1121100185 /nfs/dbraw/zinc/10/01/85/1121100185.db2.gz RMWBOBNSYPIKIW-UHFFFAOYSA-N -1 1 374.506 4.280 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000032086197 1121100406 /nfs/dbraw/zinc/10/04/06/1121100406.db2.gz SHJQNGAMFUKUOZ-UHFFFAOYSA-N -1 1 355.463 4.175 20 0 FIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1 ZINC000032531894 1121110347 /nfs/dbraw/zinc/11/03/47/1121110347.db2.gz RGJMREQXHSEGNY-UHFFFAOYSA-N -1 1 360.479 4.034 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1F ZINC000032586279 1121110923 /nfs/dbraw/zinc/11/09/23/1121110923.db2.gz NCSOPCJLMMEGLU-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001626055903 1121192355 /nfs/dbraw/zinc/19/23/55/1121192355.db2.gz LPNYQGVFYIWDNV-NSHDSACASA-N -1 1 353.340 4.219 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000326408594 1121312693 /nfs/dbraw/zinc/31/26/93/1121312693.db2.gz PHBSAUNTIVKIHR-AWEZNQCLSA-N -1 1 355.463 4.391 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c(C)c1 ZINC000058494451 1121403359 /nfs/dbraw/zinc/40/33/59/1121403359.db2.gz MGWYMPNRCAUHPJ-UHFFFAOYSA-N -1 1 358.385 4.078 20 0 FIADMM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1cccc(F)c1F ZINC000060356932 1121469164 /nfs/dbraw/zinc/46/91/64/1121469164.db2.gz ZNOVNUYLVJULSR-UHFFFAOYSA-N -1 1 359.397 4.033 20 0 FIADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063912624 1121593534 /nfs/dbraw/zinc/59/35/34/1121593534.db2.gz WJWJDEOJGLABMV-UHFFFAOYSA-N -1 1 363.332 4.044 20 0 FIADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000064477154 1121616028 /nfs/dbraw/zinc/61/60/28/1121616028.db2.gz FEBFADBPODWTOE-CYBMUJFWSA-N -1 1 351.493 4.387 20 0 FIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc2c(c1)CCCC2 ZINC000064938302 1121645684 /nfs/dbraw/zinc/64/56/84/1121645684.db2.gz QUEBTRPBJSDDCO-UHFFFAOYSA-N -1 1 371.502 4.293 20 0 FIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(CC(C)C)no2)cc1 ZINC000109561801 1121736975 /nfs/dbraw/zinc/73/69/75/1121736975.db2.gz RDYFIDXRCXMUCX-UHFFFAOYSA-N -1 1 371.462 4.044 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1OC(C)C ZINC000780401795 1121752593 /nfs/dbraw/zinc/75/25/93/1121752593.db2.gz LDDLNBMSLIYJLT-UHFFFAOYSA-N -1 1 371.405 4.221 20 0 FIADMM Cc1sc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1-c1ccc(F)cc1 ZINC000125443733 1121780061 /nfs/dbraw/zinc/78/00/61/1121780061.db2.gz SAHDSODZZQNDPO-UHFFFAOYSA-N -1 1 370.331 4.252 20 0 FIADMM COc1ccccc1CSc1ccccc1[N-]C(=O)c1cnns1 ZINC000125737254 1121821320 /nfs/dbraw/zinc/82/13/20/1121821320.db2.gz XBLRGNMVGVXPKG-UHFFFAOYSA-N -1 1 357.460 4.091 20 0 FIADMM O=C(Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1)NC1CC1 ZINC000073801453 1121937533 /nfs/dbraw/zinc/93/75/33/1121937533.db2.gz MJBLJMFTMHBVGI-UHFFFAOYSA-N -1 1 361.401 4.082 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000671773882 1121960292 /nfs/dbraw/zinc/96/02/92/1121960292.db2.gz UGCQNLRMKURCKY-ORYQWCPZSA-N -1 1 369.505 4.420 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@H](C)C2)c1 ZINC000055481301 1122249217 /nfs/dbraw/zinc/24/92/17/1122249217.db2.gz VPNRZEIFEXUFQE-GOEBONIOSA-N -1 1 372.538 4.249 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000055567378 1122253813 /nfs/dbraw/zinc/25/38/13/1122253813.db2.gz BQRGUNHOLDXOGL-UHFFFAOYSA-N -1 1 366.870 4.044 20 0 FIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000055595567 1122255948 /nfs/dbraw/zinc/25/59/48/1122255948.db2.gz VXNRYSDKKUGQLP-UHFFFAOYSA-N -1 1 372.490 4.268 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000055688120 1122261454 /nfs/dbraw/zinc/26/14/54/1122261454.db2.gz TUZHYTRGEVEDBP-UHFFFAOYSA-N -1 1 369.442 4.075 20 0 FIADMM O=C(CCCOc1ccccc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000497572280 1122292711 /nfs/dbraw/zinc/29/27/11/1122292711.db2.gz YRTSNWKQIMVPAN-UHFFFAOYSA-N -1 1 371.824 4.233 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c(C)c1 ZINC000917728561 1122419851 /nfs/dbraw/zinc/41/98/51/1122419851.db2.gz ZKMBYZYOQXKIGU-UHFFFAOYSA-N -1 1 359.419 4.119 20 0 FIADMM CCCc1cc(=O)[n-]c(SCc2ccc(Oc3ccccc3)nn2)n1 ZINC000498005811 1122519484 /nfs/dbraw/zinc/51/94/84/1122519484.db2.gz KTHGVYSXYRPXHT-UHFFFAOYSA-N -1 1 354.435 4.009 20 0 FIADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000556302693 1122791833 /nfs/dbraw/zinc/79/18/33/1122791833.db2.gz FFDXLVPKBAACTF-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CCSCc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000498912303 1123078583 /nfs/dbraw/zinc/07/85/83/1123078583.db2.gz CBVFMBLDYFYWDU-UHFFFAOYSA-N -1 1 365.458 4.146 20 0 FIADMM CCC/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920462269 1123459472 /nfs/dbraw/zinc/45/94/72/1123459472.db2.gz AWGCKBLYMDEATC-IZZDOVSWSA-N -1 1 358.463 4.091 20 0 FIADMM CCOc1c(Cl)cc(CNC(=O)c2c([O-])cccc2Cl)cc1OC ZINC000920456188 1123459487 /nfs/dbraw/zinc/45/94/87/1123459487.db2.gz APQFOVVYLHHOGI-UHFFFAOYSA-N -1 1 370.232 4.036 20 0 FIADMM O=C(NCCCc1cccc(C(F)(F)F)c1)c1c([O-])cccc1Cl ZINC000920472544 1123466158 /nfs/dbraw/zinc/46/61/58/1123466158.db2.gz PKJVFNHUDJSLDT-UHFFFAOYSA-N -1 1 357.759 4.427 20 0 FIADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@H](c2ccccc2)CC4)nc1 ZINC000133636065 1123507604 /nfs/dbraw/zinc/50/76/04/1123507604.db2.gz XMKMCBRMMWTEAJ-CQSZACIVSA-N -1 1 374.469 4.023 20 0 FIADMM CN1CCCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)ccc21 ZINC000920757013 1123515379 /nfs/dbraw/zinc/51/53/79/1123515379.db2.gz MPVFNKXGQBHWCW-UHFFFAOYSA-N -1 1 371.289 4.177 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000920950421 1123540731 /nfs/dbraw/zinc/54/07/31/1123540731.db2.gz VRDIKEMOWSWFNZ-OAHLLOKOSA-N -1 1 374.440 4.163 20 0 FIADMM O=S(=O)([N-][C@@H]1CCSc2c(F)cccc21)c1cc2ccccc2o1 ZINC000133973292 1123578788 /nfs/dbraw/zinc/57/87/88/1123578788.db2.gz BFHDUODPXRMFKK-CQSZACIVSA-N -1 1 363.435 4.087 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000078795934 1123811157 /nfs/dbraw/zinc/81/11/57/1123811157.db2.gz MKAPPJMSGDWZTP-CYBMUJFWSA-N -1 1 363.461 4.020 20 0 FIADMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000609768116 1123825940 /nfs/dbraw/zinc/82/59/40/1123825940.db2.gz SBTAUASOAZNSJF-SFYZADRCSA-N -1 1 360.353 4.007 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(-c2ccccc2)on1 ZINC000079850543 1123934909 /nfs/dbraw/zinc/93/49/09/1123934909.db2.gz SSDGWWBCFXBFBC-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM CCN(CC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)s1 ZINC000901426300 1123967744 /nfs/dbraw/zinc/96/77/44/1123967744.db2.gz FYDQRWXZYQYIAM-UHFFFAOYSA-N -1 1 354.269 4.084 20 0 FIADMM O=c1cc(C(F)(F)F)nc(CNc2cccc(C(F)F)c2Cl)[n-]1 ZINC000542726396 1124161111 /nfs/dbraw/zinc/16/11/11/1124161111.db2.gz AUSVXCHNTNDICS-UHFFFAOYSA-N -1 1 353.678 4.404 20 0 FIADMM COc1ccccc1-c1ccccc1-c1noc(-c2cc(C(C)=O)[n-]n2)n1 ZINC001212429169 1124204059 /nfs/dbraw/zinc/20/40/59/1124204059.db2.gz CMGXCHCUTXCETM-UHFFFAOYSA-N -1 1 360.373 4.005 20 0 FIADMM COc1ccccc1-c1ccccc1-c1noc(-c2cc(C(C)=O)n[n-]2)n1 ZINC001212429169 1124204069 /nfs/dbraw/zinc/20/40/69/1124204069.db2.gz CMGXCHCUTXCETM-UHFFFAOYSA-N -1 1 360.373 4.005 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)ccc3C(F)(F)F)no2)[n-]n1 ZINC001212429917 1124225369 /nfs/dbraw/zinc/22/53/69/1124225369.db2.gz QNVXLBAERGFEHY-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)ccc3C(F)(F)F)no2)n[n-]1 ZINC001212429917 1124225362 /nfs/dbraw/zinc/22/53/62/1124225362.db2.gz QNVXLBAERGFEHY-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM C[C@H]1C[C@@H](CC(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)CC(C)(C)C1 ZINC000068427986 1124232938 /nfs/dbraw/zinc/23/29/38/1124232938.db2.gz XIXUHJLDKSSLTR-KBPBESRZSA-N -1 1 364.559 4.036 20 0 FIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000057498010 1124348364 /nfs/dbraw/zinc/34/83/64/1124348364.db2.gz QSEVZUXEMYNCGK-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM COC(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1Cl ZINC000616970482 1124416539 /nfs/dbraw/zinc/41/65/39/1124416539.db2.gz PDHDYORDTFNWKB-UHFFFAOYSA-N -1 1 355.177 4.130 20 0 FIADMM Cc1ccc2oc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2c1 ZINC000616986777 1124420372 /nfs/dbraw/zinc/42/03/72/1124420372.db2.gz GSGJDBOIWHAIOF-UHFFFAOYSA-N -1 1 363.413 4.182 20 0 FIADMM C[C@H]1CCC[C@@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000303969312 1124523918 /nfs/dbraw/zinc/52/39/18/1124523918.db2.gz ZLWBRPVYKSACJX-JKSUJKDBSA-N -1 1 372.490 4.252 20 0 FIADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(F)c(C(F)(F)F)c1 ZINC000110401989 1124741768 /nfs/dbraw/zinc/74/17/68/1124741768.db2.gz CLMZVWAKVCDEKP-UHFFFAOYSA-N -1 1 358.316 4.127 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000215904358 1125059787 /nfs/dbraw/zinc/05/97/87/1125059787.db2.gz IZULTRPGQJXRES-UHFFFAOYSA-N -1 1 370.630 4.459 20 0 FIADMM CCOc1cc(C(=O)NCCc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000215960793 1125083269 /nfs/dbraw/zinc/08/32/69/1125083269.db2.gz XRVAEXPLTSRQDR-UHFFFAOYSA-N -1 1 354.233 4.070 20 0 FIADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC001626065591 1125113022 /nfs/dbraw/zinc/11/30/22/1125113022.db2.gz OGOPNUJHWAXHAQ-UHFFFAOYSA-N -1 1 352.217 4.092 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cc([N+](=O)[O-])ccc1Cl ZINC000182118226 1125253305 /nfs/dbraw/zinc/25/33/05/1125253305.db2.gz DYWSMKQVOFUNIR-UHFFFAOYSA-N -1 1 366.811 4.081 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 ZINC000619007384 1125417781 /nfs/dbraw/zinc/41/77/81/1125417781.db2.gz PZFKBNXHGGQRIK-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1Cl ZINC000021363329 209647331 /nfs/dbraw/zinc/64/73/31/209647331.db2.gz MKRLDYYUOVCVHV-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000010463194 207301786 /nfs/dbraw/zinc/30/17/86/207301786.db2.gz XFRZILOOADUBGW-UHFFFAOYSA-N -1 1 351.733 4.039 20 0 FIADMM CC(C)OC(=O)c1ccc(Cl)c([N-]C(=O)c2ocnc2C(F)F)c1 ZINC000602255080 567960258 /nfs/dbraw/zinc/96/02/58/567960258.db2.gz SCYVCXZKUIEPSZ-UHFFFAOYSA-N -1 1 358.728 4.083 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2ccccc2OCC)cc(Cl)c1[O-] ZINC000186658067 567967624 /nfs/dbraw/zinc/96/76/24/567967624.db2.gz JOMGWEBEJBJHTC-UHFFFAOYSA-N -1 1 363.841 4.115 20 0 FIADMM CCOC(=O)c1nc(NC(=O)c2oc3c(ccc4ccccc34)c2C)c[n-]1 ZINC000617876540 568165540 /nfs/dbraw/zinc/16/55/40/568165540.db2.gz UFVUHSBUYVMOLZ-UHFFFAOYSA-N -1 1 363.373 4.047 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(C)c1C ZINC000604971406 568462741 /nfs/dbraw/zinc/46/27/41/568462741.db2.gz HLPPPFZNWWHZFW-UHFFFAOYSA-N -1 1 372.446 4.131 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000605118986 568573542 /nfs/dbraw/zinc/57/35/42/568573542.db2.gz SLDPHYMHPASTKT-HNNXBMFYSA-N -1 1 367.474 4.458 20 0 FIADMM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc(Cl)sc1Cl ZINC000605164173 568592727 /nfs/dbraw/zinc/59/27/27/568592727.db2.gz ODPHZIHDFMHPRP-QMMMGPOBSA-N -1 1 366.316 4.180 20 0 FIADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1coc(-c2ccccc2)n1 ZINC000606159085 568678454 /nfs/dbraw/zinc/67/84/54/568678454.db2.gz YQWDEOQWYDXOGA-UHFFFAOYSA-N -1 1 362.414 4.036 20 0 FIADMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000672889372 1125344178 /nfs/dbraw/zinc/34/41/78/1125344178.db2.gz CHEIZCRBBWLVES-UHFFFAOYSA-N -1 1 350.189 4.003 20 0 FIADMM COc1ccc(N[C@H](C)c2oc3ccccc3c2C)cc1[N-]S(C)(=O)=O ZINC000182732010 1125608047 /nfs/dbraw/zinc/60/80/47/1125608047.db2.gz LUCSAEASRIESNH-CYBMUJFWSA-N -1 1 374.462 4.294 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2)s1 ZINC000006597936 1079649391 /nfs/dbraw/zinc/64/93/91/1079649391.db2.gz KHJJHCPMJFHLRS-UHFFFAOYSA-N -1 1 356.451 4.487 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000320966083 1079716291 /nfs/dbraw/zinc/71/62/91/1079716291.db2.gz AWTYNKCHSRHRFI-UHFFFAOYSA-N -1 1 361.410 4.450 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1C(F)(F)F ZINC000471135218 1079785200 /nfs/dbraw/zinc/78/52/00/1079785200.db2.gz ATYLUWSETZHFIH-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Cl)cc2cccnc21)c1cc(F)ccc1F ZINC000683174188 1079809817 /nfs/dbraw/zinc/80/98/17/1079809817.db2.gz RBZWMFAWCQWEIO-QGZVFWFLSA-N -1 1 362.763 4.082 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c(C)s1 ZINC000032532017 1079863038 /nfs/dbraw/zinc/86/30/38/1079863038.db2.gz HQGCYMCFIUMDAZ-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000430221844 1080018176 /nfs/dbraw/zinc/01/81/76/1080018176.db2.gz UMQYIKYOTMTWQT-ACJLOTCBSA-N -1 1 366.383 4.076 20 0 FIADMM O=C(Nc1cnccc1-c1ccccc1)c1cc(Br)ccc1[O-] ZINC000683224834 1080037532 /nfs/dbraw/zinc/03/75/32/1080037532.db2.gz RAUUTSGOQZXOMX-UHFFFAOYSA-N -1 1 369.218 4.469 20 0 FIADMM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1cc2ccccc2o1 ZINC000547712020 1080193189 /nfs/dbraw/zinc/19/31/89/1080193189.db2.gz KZQSBNJEEDPMST-UHFFFAOYSA-N -1 1 370.474 4.220 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2cnc(-c3cccnc3)s2)s1 ZINC000535623941 1080365476 /nfs/dbraw/zinc/36/54/76/1080365476.db2.gz CMZJJMWSZISZSU-UHFFFAOYSA-N -1 1 359.480 4.042 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000089103065 1080432800 /nfs/dbraw/zinc/43/28/00/1080432800.db2.gz IPZSBYORVIIFAX-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c(C)s1 ZINC000180210383 1080465786 /nfs/dbraw/zinc/46/57/86/1080465786.db2.gz RBAUIEXHSPVBCV-UHFFFAOYSA-N -1 1 351.280 4.176 20 0 FIADMM O=C(NCCOc1ccccc1-c1ccccc1)c1cc(F)ccc1[O-] ZINC001625848195 1080631558 /nfs/dbraw/zinc/63/15/58/1080631558.db2.gz YUZZTLPAEAZMNI-UHFFFAOYSA-N -1 1 351.377 4.007 20 0 FIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1coc(C2CC2)n1 ZINC000683345426 1080687618 /nfs/dbraw/zinc/68/76/18/1080687618.db2.gz ZXNCLGFESALXHH-CQSZACIVSA-N -1 1 366.446 4.124 20 0 FIADMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000236816521 1080906573 /nfs/dbraw/zinc/90/65/73/1080906573.db2.gz JGLZXWKWUFIZAP-UHFFFAOYSA-N -1 1 369.396 4.199 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4[nH]c(=O)oc4c3)n2)cc(Cl)c1[O-] ZINC000683589644 1081180820 /nfs/dbraw/zinc/18/08/20/1081180820.db2.gz YKKGSWMLYUOSEE-UHFFFAOYSA-N -1 1 373.752 4.008 20 0 FIADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC001648814610 1081221020 /nfs/dbraw/zinc/22/10/20/1081221020.db2.gz VUBFRMIVIQAYQK-UHFFFAOYSA-N -1 1 359.838 4.313 20 0 FIADMM CC(C)CCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022106513 1081225977 /nfs/dbraw/zinc/22/59/77/1081225977.db2.gz SQUAGUYFDVIBOJ-UHFFFAOYSA-N -1 1 356.447 4.131 20 0 FIADMM COc1ccc(C)cc1[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000413395215 1081254955 /nfs/dbraw/zinc/25/49/55/1081254955.db2.gz BOJONFKCTRUWGH-HNNXBMFYSA-N -1 1 364.449 4.351 20 0 FIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@H]1CC=CCC1 ZINC000022114082 1081263336 /nfs/dbraw/zinc/26/33/36/1081263336.db2.gz IBIXHRRNKVAOID-AWEZNQCLSA-N -1 1 366.442 4.051 20 0 FIADMM O=C([O-])c1cccc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1Cl ZINC000579961868 1081274870 /nfs/dbraw/zinc/27/48/70/1081274870.db2.gz QMLKUVMQZTXUQT-LLVKDONJSA-N -1 1 351.780 4.306 20 0 FIADMM O=C(Nc1cc(C(=O)Nc2ccncc2[O-])ccc1Cl)c1cccs1 ZINC000109889954 1081300772 /nfs/dbraw/zinc/30/07/72/1081300772.db2.gz XWSLBWMNYHZZBP-UHFFFAOYSA-N -1 1 373.821 4.007 20 0 FIADMM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc(Cl)ccc1[O-] ZINC001648852974 1081301909 /nfs/dbraw/zinc/30/19/09/1081301909.db2.gz OHPLXKQBRRAAHS-NSHDSACASA-N -1 1 364.898 4.289 20 0 FIADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000234103152 1081403081 /nfs/dbraw/zinc/40/30/81/1081403081.db2.gz OUUPZKFQLVCTDP-HNNXBMFYSA-N -1 1 360.679 4.179 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)cc2)o1 ZINC000780366493 1081594976 /nfs/dbraw/zinc/59/49/76/1081594976.db2.gz DVJQGJKLNPHIHP-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938263 1081940099 /nfs/dbraw/zinc/94/00/99/1081940099.db2.gz UIBQEVRLFQXQKI-UHFFFAOYSA-N -1 1 365.882 4.376 20 0 FIADMM CCCN(CCC)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000021221104 1081966348 /nfs/dbraw/zinc/96/63/48/1081966348.db2.gz KTSPHDKJUCOUFX-UHFFFAOYSA-N -1 1 374.506 4.058 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000580492202 1081976870 /nfs/dbraw/zinc/97/68/70/1081976870.db2.gz BIVFNTSVUZYOTO-UHFFFAOYSA-N -1 1 361.797 4.225 20 0 FIADMM Cc1ccc(C)c([C@@H]2CN(CCc3ccccc3C(=O)[O-])[C@@H](C)CO2)c1 ZINC000580778454 1082136204 /nfs/dbraw/zinc/13/62/04/1082136204.db2.gz KNOOAZXWSNCHQN-UWJYYQICSA-N -1 1 353.462 4.006 20 0 FIADMM Cc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000123291538 1082217397 /nfs/dbraw/zinc/21/73/97/1082217397.db2.gz MIGFYPGNCDBFNT-UHFFFAOYSA-N -1 1 357.837 4.089 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\SCc2ccco2)c1 ZINC000588396282 1082247289 /nfs/dbraw/zinc/24/72/89/1082247289.db2.gz ZAZJPVZRVAUSFO-XQRVVYSFSA-N -1 1 368.252 4.442 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OC2CCCC2)c1 ZINC000123573140 1082392293 /nfs/dbraw/zinc/39/22/93/1082392293.db2.gz FXNVRUQBPYGEQF-UHFFFAOYSA-N -1 1 372.396 4.063 20 0 FIADMM Cc1ccc(-c2nnc([C@@H](C)Sc3nc(C(F)F)cc(=O)[n-]3)o2)cc1 ZINC000581338474 1082474921 /nfs/dbraw/zinc/47/49/21/1082474921.db2.gz DJCGZBXTQBVGFV-SECBINFHSA-N -1 1 364.377 4.332 20 0 FIADMM O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000581434912 1082575435 /nfs/dbraw/zinc/57/54/35/1082575435.db2.gz RTXVGOCIYDQLHU-UHFFFAOYSA-N -1 1 363.866 4.195 20 0 FIADMM O=C(CCCOc1ccccc1Br)Nc1c([O-])cccc1F ZINC000605436758 1082673146 /nfs/dbraw/zinc/67/31/46/1082673146.db2.gz MEMIPEOZDNRRNW-UHFFFAOYSA-N -1 1 368.202 4.092 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)cc2F)[C@H]2CCCC[C@@H]12 ZINC000656763779 1082756848 /nfs/dbraw/zinc/75/68/48/1082756848.db2.gz HYNWAAHTVUNTJJ-LZWOXQAQSA-N -1 1 370.262 4.054 20 0 FIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000084460662 1083022448 /nfs/dbraw/zinc/02/24/48/1083022448.db2.gz AXIPHLCRZKUEDQ-UHFFFAOYSA-N -1 1 368.458 4.235 20 0 FIADMM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc([O-])c(F)c1 ZINC000684503560 1083132004 /nfs/dbraw/zinc/13/20/04/1083132004.db2.gz ZEPOTGZZFPDNAU-UHFFFAOYSA-N -1 1 365.229 4.404 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(Cl)cc1F ZINC000431148430 1083352544 /nfs/dbraw/zinc/35/25/44/1083352544.db2.gz GUEGQVVMWXRACL-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000471954891 1083403405 /nfs/dbraw/zinc/40/34/05/1083403405.db2.gz OCRMWRFBXVPQBA-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000458104639 1083596083 /nfs/dbraw/zinc/59/60/83/1083596083.db2.gz WXFFVBAZAMOKAW-NVXWUHKLSA-N -1 1 359.853 4.463 20 0 FIADMM COCc1nc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)co1 ZINC000548496504 1083733854 /nfs/dbraw/zinc/73/38/54/1083733854.db2.gz HGLAFLIPXHNMLC-UHFFFAOYSA-N -1 1 362.785 4.084 20 0 FIADMM COc1cc(Cl)ccc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000684618433 1083808936 /nfs/dbraw/zinc/80/89/36/1083808936.db2.gz PRLBDZWXRABXRV-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000612759892 1084040863 /nfs/dbraw/zinc/04/08/63/1084040863.db2.gz OSBOVVSPYIBKON-UHFFFAOYSA-N -1 1 372.650 4.012 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000612796847 1084085554 /nfs/dbraw/zinc/08/55/54/1084085554.db2.gz GURLJOBXFBGXQK-UHFFFAOYSA-N -1 1 371.289 4.394 20 0 FIADMM CCc1nc(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)[n-]c(=O)c1C ZINC000657263609 1084131597 /nfs/dbraw/zinc/13/15/97/1084131597.db2.gz JQBMFGNTWVSZOR-SNVBAGLBSA-N -1 1 368.405 4.018 20 0 FIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000119672588 1084312849 /nfs/dbraw/zinc/31/28/49/1084312849.db2.gz ZHIZLOOYNITNTJ-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2cnn(CC(C)C)c2C(F)F)c1 ZINC000613101749 1084352781 /nfs/dbraw/zinc/35/27/81/1084352781.db2.gz NIVFICFELIEWJD-UHFFFAOYSA-N -1 1 355.410 4.157 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F ZINC000071978005 1084516985 /nfs/dbraw/zinc/51/69/85/1084516985.db2.gz PIJZMPQAEBNHHM-UHFFFAOYSA-N -1 1 364.225 4.332 20 0 FIADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870746 1084999809 /nfs/dbraw/zinc/99/98/09/1084999809.db2.gz NOECNAYKKBBCEE-LLVKDONJSA-N -1 1 353.340 4.253 20 0 FIADMM O=C(Nc1ccccc1N1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870959 1085000264 /nfs/dbraw/zinc/00/02/64/1085000264.db2.gz ULCCKMFULMJZHL-UHFFFAOYSA-N -1 1 350.340 4.264 20 0 FIADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccc(OC)cc1 ZINC000684870898 1085000609 /nfs/dbraw/zinc/00/06/09/1085000609.db2.gz PIWMGANTJINLKC-HNNXBMFYSA-N -1 1 353.340 4.301 20 0 FIADMM CC1(C)Oc2ccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)cc2O1 ZINC000684871181 1085002244 /nfs/dbraw/zinc/00/22/44/1085002244.db2.gz AQZPHVSVIIMGKZ-UHFFFAOYSA-N -1 1 353.296 4.171 20 0 FIADMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000684877055 1085018988 /nfs/dbraw/zinc/01/89/88/1085018988.db2.gz IARQEWCKJRHTIG-XJKSGUPXSA-N -1 1 359.388 4.125 20 0 FIADMM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000582462778 1085036317 /nfs/dbraw/zinc/03/63/17/1085036317.db2.gz KKDDGORJEMUBCN-SFHVURJKSA-N -1 1 371.820 4.091 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(F)c(Cl)c1F ZINC000186266689 1085057013 /nfs/dbraw/zinc/05/70/13/1085057013.db2.gz FKJYVYYSJOIYKK-UHFFFAOYSA-N -1 1 357.794 4.451 20 0 FIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000685913058 1085074136 /nfs/dbraw/zinc/07/41/36/1085074136.db2.gz KOHXMKZGDOLRFI-UHFFFAOYSA-N -1 1 361.511 4.024 20 0 FIADMM CCc1ncsc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000582502690 1085075580 /nfs/dbraw/zinc/07/55/80/1085075580.db2.gz PCVIRLUBCVNTAW-UHFFFAOYSA-N -1 1 361.648 4.079 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(C)c1C ZINC000432205880 1085250277 /nfs/dbraw/zinc/25/02/77/1085250277.db2.gz NZCZZCKWCBUIMR-UHFFFAOYSA-N -1 1 372.446 4.131 20 0 FIADMM COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc(Cl)c1[O-] ZINC000582628684 1085286311 /nfs/dbraw/zinc/28/63/11/1085286311.db2.gz STAGHLQGZMZBMX-UMSPYCQHSA-N -1 1 366.244 4.384 20 0 FIADMM O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1c([O-])cccc1Cl ZINC001143517411 1085809283 /nfs/dbraw/zinc/80/92/83/1085809283.db2.gz SYTXCVVJJZZNSR-GOSISDBHSA-N -1 1 359.853 4.069 20 0 FIADMM O=C([O-])c1ccc2c(c1)CN(CCOc1cc(Cl)cc(Cl)c1)CC2 ZINC000582851625 1085833642 /nfs/dbraw/zinc/83/36/42/1085833642.db2.gz QCEXCAMRYGVAQS-UHFFFAOYSA-N -1 1 366.244 4.129 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c2ccccc12 ZINC000182268043 1085904200 /nfs/dbraw/zinc/90/42/00/1085904200.db2.gz ORTQCFMPCNJMNA-UHFFFAOYSA-N -1 1 372.421 4.047 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000652496873 1086120693 /nfs/dbraw/zinc/12/06/93/1086120693.db2.gz FVDYHQKJJBIFBJ-KSSFIOAISA-N -1 1 358.507 4.476 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000652496872 1086121691 /nfs/dbraw/zinc/12/16/91/1086121691.db2.gz FVDYHQKJJBIFBJ-KDOFPFPSSA-N -1 1 358.507 4.476 20 0 FIADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499991 1086138110 /nfs/dbraw/zinc/13/81/10/1086138110.db2.gz VVYKVBQDOICIAF-CHWSQXEVSA-N -1 1 365.424 4.315 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000115495323 1086306513 /nfs/dbraw/zinc/30/65/13/1086306513.db2.gz PCVHZEUJYVLGRA-UHFFFAOYSA-N -1 1 359.425 4.281 20 0 FIADMM CCc1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000115495448 1086306694 /nfs/dbraw/zinc/30/66/94/1086306694.db2.gz VHNIWEIGBUODNJ-UHFFFAOYSA-N -1 1 365.473 4.009 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2C)n1 ZINC000150801114 1086344599 /nfs/dbraw/zinc/34/45/99/1086344599.db2.gz PWKQCJOTPOIEIX-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000184754306 1086358844 /nfs/dbraw/zinc/35/88/44/1086358844.db2.gz FJPDBKHEEIRDHJ-NHYWBVRUSA-N -1 1 350.340 4.029 20 0 FIADMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000184754269 1086359553 /nfs/dbraw/zinc/35/95/53/1086359553.db2.gz FJPDBKHEEIRDHJ-XHDPSFHLSA-N -1 1 350.340 4.029 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000448054344 1086656186 /nfs/dbraw/zinc/65/61/86/1086656186.db2.gz PGVFANVBGZGIJA-UHFFFAOYSA-N -1 1 372.490 4.070 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2csc(-c3ccccn3)n2)[n-]1 ZINC000126976294 1086675303 /nfs/dbraw/zinc/67/53/03/1086675303.db2.gz FZTRRUJNUKFVPN-UHFFFAOYSA-N -1 1 370.381 4.012 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427625129 1086685527 /nfs/dbraw/zinc/68/55/27/1086685527.db2.gz CMKWTWBJLXDWHD-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)s1 ZINC000512145080 1086827195 /nfs/dbraw/zinc/82/71/95/1086827195.db2.gz WQSADFUASAZYMR-SNVBAGLBSA-N -1 1 351.827 4.109 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(Br)c1 ZINC000028196678 1086836568 /nfs/dbraw/zinc/83/65/68/1086836568.db2.gz FAEOBVHWMMKOFO-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1ccnc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@H](c2ccccc2)CC4)n1 ZINC000432514686 1086903398 /nfs/dbraw/zinc/90/33/98/1086903398.db2.gz NPBHBUSARNXPHG-CQSZACIVSA-N -1 1 374.469 4.435 20 0 FIADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1 ZINC000583655898 1086903701 /nfs/dbraw/zinc/90/37/01/1086903701.db2.gz XCMRHKSVHUGWGT-ONEGZZNKSA-N -1 1 354.431 4.484 20 0 FIADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC([C@H]2CCCO2)CC1 ZINC000584356242 1087279366 /nfs/dbraw/zinc/27/93/66/1087279366.db2.gz FJRJFMHQFWWKEC-CVEARBPZSA-N -1 1 358.265 4.010 20 0 FIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc21 ZINC000584372488 1087296541 /nfs/dbraw/zinc/29/65/41/1087296541.db2.gz YRXWIINLDAAHHH-UHFFFAOYSA-N -1 1 365.405 4.356 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000172817477 1087573978 /nfs/dbraw/zinc/57/39/78/1087573978.db2.gz IMQZTSTZAQDKFC-GOSISDBHSA-N -1 1 361.441 4.224 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000186445913 1087685833 /nfs/dbraw/zinc/68/58/33/1087685833.db2.gz GVRHHBWUIMDWHK-LBPRGKRZSA-N -1 1 363.841 4.286 20 0 FIADMM CCOc1cc(-c2nc([C@H](C)c3nccs3)no2)cc(Cl)c1[O-] ZINC000424350927 1087936688 /nfs/dbraw/zinc/93/66/88/1087936688.db2.gz CETPSAHSNRRLOP-QMMMGPOBSA-N -1 1 351.815 4.103 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000176475054 1087976324 /nfs/dbraw/zinc/97/63/24/1087976324.db2.gz DZKZFLAHFJCPAL-UHFFFAOYSA-N -1 1 374.487 4.085 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)cc(Cl)c1[O-] ZINC000186840571 1088005121 /nfs/dbraw/zinc/00/51/21/1088005121.db2.gz LWBCCXTVQALOBS-QWHCGFSZSA-N -1 1 357.903 4.191 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@H](SCC)C2)cc(Cl)c1[O-] ZINC000186850312 1088011637 /nfs/dbraw/zinc/01/16/37/1088011637.db2.gz DNZYSBARVABAGL-OLZOCXBDSA-N -1 1 357.903 4.238 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc(Cl)c1[O-] ZINC000186880491 1088023468 /nfs/dbraw/zinc/02/34/68/1088023468.db2.gz IBJPPDUYJISMDW-INIZCTEOSA-N -1 1 374.868 4.161 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000186888214 1088028209 /nfs/dbraw/zinc/02/82/09/1088028209.db2.gz CTOPEVPBRJKSKG-LJQANCHMSA-N -1 1 369.367 4.037 20 0 FIADMM CCOc1cc(C(=O)Nc2c[nH]nc2-c2ccccc2)cc(Cl)c1[O-] ZINC000186884770 1088028660 /nfs/dbraw/zinc/02/86/60/1088028660.db2.gz JFAMEMDATNOAGX-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cc(C(C)(C)C)on3)s2)c(C)c1 ZINC000607810225 1088494532 /nfs/dbraw/zinc/49/45/32/1088494532.db2.gz VCGMNFZBQYHWJZ-UHFFFAOYSA-N -1 1 356.451 4.360 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2)co1 ZINC000031668345 1088655237 /nfs/dbraw/zinc/65/52/37/1088655237.db2.gz ZLJNAIHJJRTRPP-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccco1)Cc1ccco1 ZINC000180360107 1088771836 /nfs/dbraw/zinc/77/18/36/1088771836.db2.gz SLQKOALQPAWCKT-UHFFFAOYSA-N -1 1 365.307 4.440 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2o1 ZINC000189244564 1089138106 /nfs/dbraw/zinc/13/81/06/1089138106.db2.gz XUDLGTCZOCDFBS-UHFFFAOYSA-N -1 1 370.352 4.042 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000066779564 1089145873 /nfs/dbraw/zinc/14/58/73/1089145873.db2.gz QDTYQMZSDVBRBD-UHFFFAOYSA-N -1 1 370.453 4.392 20 0 FIADMM CC[C@H](C)Cc1c(C)sc2nc(-c3cc(C(=O)OC)ccn3)[n-]c(=O)c12 ZINC000434940308 1089157862 /nfs/dbraw/zinc/15/78/62/1089157862.db2.gz WPTRERXKIPONRH-JTQLQIEISA-N -1 1 371.462 4.143 20 0 FIADMM COc1ccc2oc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c(C)c2c1 ZINC000613665831 1089251514 /nfs/dbraw/zinc/25/15/14/1089251514.db2.gz OOBBWWVUZUNKRB-UHFFFAOYSA-N -1 1 363.373 4.098 20 0 FIADMM Cc1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1Cl ZINC000613667160 1089256657 /nfs/dbraw/zinc/25/66/57/1089256657.db2.gz KENYTKVIMOPZNZ-UHFFFAOYSA-N -1 1 355.825 4.315 20 0 FIADMM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000623023359 1089312668 /nfs/dbraw/zinc/31/26/68/1089312668.db2.gz GBACAFDKGWXQQR-SNVBAGLBSA-N -1 1 361.319 4.132 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1 ZINC000644377790 1089455343 /nfs/dbraw/zinc/45/53/43/1089455343.db2.gz DGEZXUQHHRJOTG-UHFFFAOYSA-N -1 1 361.410 4.450 20 0 FIADMM CCCC[C@@H](CC)CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000514791339 1089474728 /nfs/dbraw/zinc/47/47/28/1089474728.db2.gz NVQCTJMWGFWLSE-CRAIPNDOSA-N -1 1 363.498 4.294 20 0 FIADMM CCc1nc(SCC(=O)c2cc(C)c(F)cc2Cl)[n-]c(=O)c1C ZINC000514949470 1089661136 /nfs/dbraw/zinc/66/11/36/1089661136.db2.gz FYEUWPVRDWUDOU-UHFFFAOYSA-N -1 1 354.834 4.129 20 0 FIADMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435445697 1089669370 /nfs/dbraw/zinc/66/93/70/1089669370.db2.gz GKUQDKDDOXDTPJ-ZJUUUORDSA-N -1 1 372.314 4.085 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc2[nH]ncc21 ZINC000435500388 1089719800 /nfs/dbraw/zinc/71/98/00/1089719800.db2.gz GURDHGOVFDWLEH-UHFFFAOYSA-N -1 1 374.224 4.118 20 0 FIADMM CC[N@@H+](Cc1ccc(F)cc1Br)C1CCC(C(=O)[O-])CC1 ZINC000565251586 1089750939 /nfs/dbraw/zinc/75/09/39/1089750939.db2.gz XZYCRLHZMJLEMG-UHFFFAOYSA-N -1 1 358.251 4.054 20 0 FIADMM CCCCOc1cc(OC)ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894033 1089963529 /nfs/dbraw/zinc/96/35/29/1089963529.db2.gz PEXHDMBOWAIHGG-UHFFFAOYSA-N -1 1 351.349 4.110 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc(C)c1F ZINC000460830778 1090009225 /nfs/dbraw/zinc/00/92/25/1090009225.db2.gz TVVCEBXYYDNOLW-UHFFFAOYSA-N -1 1 372.421 4.431 20 0 FIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c(OC)cccc2SC)s1 ZINC000416126666 1090208405 /nfs/dbraw/zinc/20/84/05/1090208405.db2.gz YHZKGMWDTVSEFQ-JTQLQIEISA-N -1 1 352.481 4.223 20 0 FIADMM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000010446187 1090325791 /nfs/dbraw/zinc/32/57/91/1090325791.db2.gz SGGMOVUNQWVFAH-UHFFFAOYSA-N -1 1 374.440 4.036 20 0 FIADMM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1cc(Cl)sc1Cl ZINC000416556846 1090443260 /nfs/dbraw/zinc/44/32/60/1090443260.db2.gz GFNPBDUPEJTSHD-UHFFFAOYSA-N -1 1 364.266 4.157 20 0 FIADMM CC[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])N(C)Cc1ccccc1 ZINC000584811382 1090914014 /nfs/dbraw/zinc/91/40/14/1090914014.db2.gz BXZCTZAYNZWWQA-INIZCTEOSA-N -1 1 350.821 4.034 20 0 FIADMM O=C([O-])C[C@@H](NCc1cnc(C2CCC2)s1)c1cccc(Cl)c1 ZINC000417559441 1090925082 /nfs/dbraw/zinc/92/50/82/1090925082.db2.gz XTYGSLBNVPWVHL-OAHLLOKOSA-N -1 1 350.871 4.370 20 0 FIADMM CC(C)(C)OC[C@H](NCc1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000417602543 1090939811 /nfs/dbraw/zinc/93/98/11/1090939811.db2.gz VRAAQCAPSAAMPD-HNNXBMFYSA-N -1 1 367.898 4.426 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Cl)o1)c1ccc(Br)cc1 ZINC000417641246 1090952793 /nfs/dbraw/zinc/95/27/93/1090952793.db2.gz PERLHXSXUQSIPV-OTYXRUKQSA-N -1 1 372.646 4.247 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1cccc(C(F)F)c1 ZINC000780390389 1090983650 /nfs/dbraw/zinc/98/36/50/1090983650.db2.gz SFTHLOGQJKCUBL-UHFFFAOYSA-N -1 1 353.390 4.214 20 0 FIADMM Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000043144339 1091189475 /nfs/dbraw/zinc/18/94/75/1091189475.db2.gz CWKYQBHZGYBLHN-UHFFFAOYSA-N -1 1 352.434 4.136 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c2ccccc12 ZINC000182257006 1091587976 /nfs/dbraw/zinc/58/79/76/1091587976.db2.gz SNCBGPQCBXELAD-UHFFFAOYSA-N -1 1 368.458 4.216 20 0 FIADMM CCC(=O)c1ccc(OCCCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000473071333 1091635821 /nfs/dbraw/zinc/63/58/21/1091635821.db2.gz HMJMSUHIVRPTQJ-UHFFFAOYSA-N -1 1 359.397 4.312 20 0 FIADMM COc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)c(Br)cc1[O-] ZINC000067006425 1091801758 /nfs/dbraw/zinc/80/17/58/1091801758.db2.gz XEXICTVNMWBJPA-WZUFQYTHSA-N -1 1 352.228 4.076 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000007726305 1091850214 /nfs/dbraw/zinc/85/02/14/1091850214.db2.gz GISYYKDUPSOSMO-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1 ZINC000024429634 1091993076 /nfs/dbraw/zinc/99/30/76/1091993076.db2.gz IUWPKNBVNRJSKZ-UHFFFAOYSA-N -1 1 351.733 4.039 20 0 FIADMM CC[C@H](Sc1nc(C(=O)OC)c[n-]1)c1ccc(Br)cc1 ZINC000432665722 1092040428 /nfs/dbraw/zinc/04/04/28/1092040428.db2.gz IJVJRWWGNBFYSF-LBPRGKRZSA-N -1 1 355.257 4.202 20 0 FIADMM COC(=O)c1c[n-]c(SCc2ccc(Oc3ccccc3)c(F)c2)n1 ZINC000432672240 1092060128 /nfs/dbraw/zinc/06/01/28/1092060128.db2.gz XOZRFFZFHMMOCZ-UHFFFAOYSA-N -1 1 358.394 4.420 20 0 FIADMM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432766302 1092293122 /nfs/dbraw/zinc/29/31/22/1092293122.db2.gz BRCKIXACFNGPPV-UHFFFAOYSA-N -1 1 350.509 4.054 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc(Cl)c1[O-] ZINC000442864075 1092808953 /nfs/dbraw/zinc/80/89/53/1092808953.db2.gz BOPGEXLHUJWBDK-GFCCVEGCSA-N -1 1 363.841 4.332 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cc(Cl)c1[O-] ZINC000442866566 1092813129 /nfs/dbraw/zinc/81/31/29/1092813129.db2.gz WUETZXVNVDGIOJ-GFCCVEGCSA-N -1 1 363.841 4.332 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CCc3c2cccc3Cl)cc(Cl)c1[O-] ZINC000442941577 1092877632 /nfs/dbraw/zinc/87/76/32/1092877632.db2.gz IJWLEFAJUMMNGR-CQSZACIVSA-N -1 1 352.217 4.125 20 0 FIADMM COc1cc(C(=O)Nc2nc(-c3ccco3)cs2)cc(Cl)c1[O-] ZINC000442984758 1092905535 /nfs/dbraw/zinc/90/55/35/1092905535.db2.gz URKGQKYNSSVDBL-UHFFFAOYSA-N -1 1 350.783 4.023 20 0 FIADMM CC[C@@H](C)n1ncc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1C1CC1 ZINC000443067967 1092926669 /nfs/dbraw/zinc/92/66/69/1092926669.db2.gz HPSJIUIDSXQWRX-SNVBAGLBSA-N -1 1 363.845 4.351 20 0 FIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(F)cc4)nc(=O)c3s2)cc1 ZINC000614112771 1092939049 /nfs/dbraw/zinc/93/90/49/1092939049.db2.gz GFHHFHWYITZDSW-UHFFFAOYSA-N -1 1 352.390 4.466 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)cc(Cl)c1[O-] ZINC000443129781 1092957111 /nfs/dbraw/zinc/95/71/11/1092957111.db2.gz HHDZUWGMFVFUIH-YDZSZYSISA-N -1 1 357.837 4.372 20 0 FIADMM CCOc1cc(-c2nc(Cc3ccc(C)c(OC)c3)no2)cc(Cl)c1[O-] ZINC000443211986 1092985466 /nfs/dbraw/zinc/98/54/66/1092985466.db2.gz CLANCAQZLHPCGT-UHFFFAOYSA-N -1 1 374.824 4.402 20 0 FIADMM CCOc1cc(-c2nc(Cc3ccccc3OC)no2)cc(Cl)c1[O-] ZINC000443207234 1092991517 /nfs/dbraw/zinc/99/15/17/1092991517.db2.gz HWSGAHNJOIVYHY-UHFFFAOYSA-N -1 1 360.797 4.094 20 0 FIADMM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000614152358 1092994241 /nfs/dbraw/zinc/99/42/41/1092994241.db2.gz BJPSRCSUOLJNOD-AWEZNQCLSA-N -1 1 370.880 4.101 20 0 FIADMM COc1cc(C(=O)N2CC(Cc3ccccc3Cl)C2)cc(Cl)c1[O-] ZINC000443294122 1093039248 /nfs/dbraw/zinc/03/92/48/1093039248.db2.gz KDXXSRBUNPKZHV-UHFFFAOYSA-N -1 1 366.244 4.022 20 0 FIADMM Cc1ccc2c(C=C([O-])Nc3nc(-c4ccccc4)ns3)coc2c1C ZINC000614688992 1093099760 /nfs/dbraw/zinc/09/97/60/1093099760.db2.gz QJJGMRJJCNBJMW-UHFFFAOYSA-N -1 1 363.442 4.171 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)c(O)c3C)c2)n1 ZINC000443409272 1093099805 /nfs/dbraw/zinc/09/98/05/1093099805.db2.gz WTBSNAZDTFFKRE-UHFFFAOYSA-N -1 1 374.487 4.242 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000443398763 1093103319 /nfs/dbraw/zinc/10/33/19/1093103319.db2.gz KOEVESSHKMORLS-UHFFFAOYSA-N -1 1 368.458 4.257 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c(Cl)cc1F ZINC000443425025 1093122528 /nfs/dbraw/zinc/12/25/28/1093122528.db2.gz HXKKSPXVKUJVMO-UHFFFAOYSA-N -1 1 370.877 4.271 20 0 FIADMM CCCCCCCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000137588430 1093157614 /nfs/dbraw/zinc/15/76/14/1093157614.db2.gz JMNGCDLEMBSVCP-QYFOZDBKSA-N -1 1 370.445 4.264 20 0 FIADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000512758269 1093277337 /nfs/dbraw/zinc/27/73/37/1093277337.db2.gz AZVUOPYLXOCKPR-QMMMGPOBSA-N -1 1 368.282 4.276 20 0 FIADMM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc(F)ccc1[O-] ZINC000094106317 1093311520 /nfs/dbraw/zinc/31/15/20/1093311520.db2.gz GYVTTWCZJZJYDD-UHFFFAOYSA-N -1 1 350.393 4.077 20 0 FIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)n1 ZINC000522360492 1093399827 /nfs/dbraw/zinc/39/98/27/1093399827.db2.gz APZLKJKOZJCLAC-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)n1 ZINC000011443508 1093483125 /nfs/dbraw/zinc/48/31/25/1093483125.db2.gz PAJMRDGGUZEWSY-ZIAGYGMSSA-N -1 1 373.522 4.355 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](Cc4ccccc4)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000474175885 1093548386 /nfs/dbraw/zinc/54/83/86/1093548386.db2.gz LPQCOAGMVCOTKO-MJGOQNOKSA-N -1 1 374.488 4.319 20 0 FIADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261744770 1093745347 /nfs/dbraw/zinc/74/53/47/1093745347.db2.gz UCJAXEAFXAZSCH-CYBMUJFWSA-N -1 1 355.278 4.021 20 0 FIADMM CCc1cc(C)cc(CC)c1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937311 1093949244 /nfs/dbraw/zinc/94/92/44/1093949244.db2.gz WBTQVLAIJUHHJP-UHFFFAOYSA-N -1 1 359.406 4.205 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000433603583 1094016521 /nfs/dbraw/zinc/01/65/21/1094016521.db2.gz JXICVRHLNHUFBU-UHFFFAOYSA-N -1 1 357.353 4.099 20 0 FIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccoc1Cl ZINC000433858206 1094144936 /nfs/dbraw/zinc/14/49/36/1094144936.db2.gz IDVZHHPYMUWYDH-UHFFFAOYSA-N -1 1 358.181 4.496 20 0 FIADMM C[C@H]1CCc2onc(C(=O)[N-]c3c(F)cc(Br)cc3F)c2C1 ZINC000433867523 1094155574 /nfs/dbraw/zinc/15/55/74/1094155574.db2.gz IPKRXJCPXXLRKY-ZETCQYMHSA-N -1 1 371.181 4.092 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccc(Cl)s2)c1 ZINC000513655258 1094256543 /nfs/dbraw/zinc/25/65/43/1094256543.db2.gz PPAXPDYFQWNTJP-UHFFFAOYSA-N -1 1 360.660 4.359 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000028260435 1094497267 /nfs/dbraw/zinc/49/72/67/1094497267.db2.gz LMBXONSJJALQIF-UHFFFAOYSA-N -1 1 353.390 4.087 20 0 FIADMM CCC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000501082967 1094497540 /nfs/dbraw/zinc/49/75/40/1094497540.db2.gz AZSYZWDALHELOC-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(-c2cccs2)n[nH]1 ZINC000502083503 1095110802 /nfs/dbraw/zinc/11/08/02/1095110802.db2.gz UMXMPDCABQHXCO-UHFFFAOYSA-N -1 1 354.218 4.403 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000428333238 1095847701 /nfs/dbraw/zinc/84/77/01/1095847701.db2.gz UKCLPBKFSAUITD-CZUORRHYSA-N -1 1 359.853 4.381 20 0 FIADMM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000042350757 1095954225 /nfs/dbraw/zinc/95/42/25/1095954225.db2.gz IQRFBKNQXJBIPS-SNVBAGLBSA-N -1 1 354.335 4.004 20 0 FIADMM CCOC(=O)Cc1ccc(-c2nc3sc(C)c(CC)c3c(=O)[n-]2)cc1 ZINC000422127751 1096084910 /nfs/dbraw/zinc/08/49/10/1096084910.db2.gz YRARZTHBDWJPDV-UHFFFAOYSA-N -1 1 356.447 4.040 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1occc1-c1ccc(F)cc1 ZINC000503358742 1096372680 /nfs/dbraw/zinc/37/26/80/1096372680.db2.gz YWOVRYYZCIBPJP-UHFFFAOYSA-N -1 1 355.350 4.450 20 0 FIADMM Cc1ccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[n-]c(=O)c2c1 ZINC000503467497 1096419637 /nfs/dbraw/zinc/41/96/37/1096419637.db2.gz QZFZCXMAFYONBW-UHFFFAOYSA-N -1 1 352.397 4.442 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504026729 1096634850 /nfs/dbraw/zinc/63/48/50/1096634850.db2.gz POIHLAMOXOTZQG-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2ccccc2SC)cc(Cl)c1[O-] ZINC000504318095 1096745072 /nfs/dbraw/zinc/74/50/72/1096745072.db2.gz WYOPNOMQFATMIP-SNVBAGLBSA-N -1 1 351.855 4.267 20 0 FIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000031669287 1096771578 /nfs/dbraw/zinc/77/15/78/1096771578.db2.gz CINRGSIIKOAEPD-UHFFFAOYSA-N -1 1 368.458 4.235 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000515635380 1098782039 /nfs/dbraw/zinc/78/20/39/1098782039.db2.gz SUEWCZOONRSJQC-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)cc2Br)n1 ZINC000436198451 1098824245 /nfs/dbraw/zinc/82/42/45/1098824245.db2.gz PEJRPMJKLWMINX-UHFFFAOYSA-N -1 1 359.676 4.453 20 0 FIADMM CC(=O)[C@@H](Cc1ccc(Cl)cc1F)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000436259017 1098874127 /nfs/dbraw/zinc/87/41/27/1098874127.db2.gz IZPWEBIWEIEKKE-OAHLLOKOSA-N -1 1 366.845 4.145 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccc(C)o3)c2C)cc1 ZINC000533229604 1098903086 /nfs/dbraw/zinc/90/30/86/1098903086.db2.gz PPFFIJOVGBOSIS-UHFFFAOYSA-N -1 1 359.451 4.040 20 0 FIADMM CCOCCOCc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436482371 1099044122 /nfs/dbraw/zinc/04/41/22/1099044122.db2.gz DARVHFZTWMORLO-UHFFFAOYSA-N -1 1 365.429 4.351 20 0 FIADMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436492927 1099054543 /nfs/dbraw/zinc/05/45/43/1099054543.db2.gz SQILNJPMIXGADJ-AVRDEDQJSA-N -1 1 361.441 4.443 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2SCC=C(C)C)c1 ZINC000436503814 1099064938 /nfs/dbraw/zinc/06/49/38/1099064938.db2.gz IZYQBBSYBVVSFW-UHFFFAOYSA-N -1 1 371.458 4.489 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sc3ccc(F)cc3c2C)c1 ZINC000436504825 1099066737 /nfs/dbraw/zinc/06/67/37/1099066737.db2.gz KOKNHQZQMLPHSJ-UHFFFAOYSA-N -1 1 359.378 4.093 20 0 FIADMM COc1cc(-c2nc(-c3cccc4ncccc43)no2)cc(Cl)c1[O-] ZINC000436522920 1099080050 /nfs/dbraw/zinc/08/00/50/1099080050.db2.gz OMFRFRJJTTXLOS-UHFFFAOYSA-N -1 1 353.765 4.319 20 0 FIADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000436549233 1099096681 /nfs/dbraw/zinc/09/66/81/1099096681.db2.gz UJDVQVBVRFWYAP-OCCSQVGLSA-N -1 1 360.251 4.173 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000436543423 1099108942 /nfs/dbraw/zinc/10/89/42/1099108942.db2.gz LFCLKFBIZVDRJX-OAHLLOKOSA-N -1 1 351.830 4.115 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000436567595 1099118961 /nfs/dbraw/zinc/11/89/61/1099118961.db2.gz ZETREVFYCSSDRP-UHFFFAOYSA-N -1 1 357.413 4.111 20 0 FIADMM O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc2ccccc2cc1[O-] ZINC000436573950 1099123040 /nfs/dbraw/zinc/12/30/40/1099123040.db2.gz KLBPULHIDRIJMM-UHFFFAOYSA-N -1 1 365.404 4.120 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000436581650 1099130161 /nfs/dbraw/zinc/13/01/61/1099130161.db2.gz FVHRYYMOZTZTFF-LJQANCHMSA-N -1 1 361.441 4.019 20 0 FIADMM COCCc1nc2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc2o1 ZINC000436584255 1099133727 /nfs/dbraw/zinc/13/37/27/1099133727.db2.gz MCBRRVRZZHDEIG-UHFFFAOYSA-N -1 1 362.385 4.128 20 0 FIADMM COc1cc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)cc(Cl)c1[O-] ZINC000436587686 1099135208 /nfs/dbraw/zinc/13/52/08/1099135208.db2.gz ZGWJHUTYGDOTEK-UHFFFAOYSA-N -1 1 371.824 4.371 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000436626441 1099153987 /nfs/dbraw/zinc/15/39/87/1099153987.db2.gz IWQZSVYRPVAMFF-DZZUKKPASA-N -1 1 372.262 4.473 20 0 FIADMM CCC(=O)c1ccc([O-])c(NC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000436646745 1099187251 /nfs/dbraw/zinc/18/72/51/1099187251.db2.gz PABDHDJEZYOVFR-UHFFFAOYSA-N -1 1 366.417 4.045 20 0 FIADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000436663680 1099192843 /nfs/dbraw/zinc/19/28/43/1099192843.db2.gz GMBVNMTZBRADLE-OAHLLOKOSA-N -1 1 361.397 4.245 20 0 FIADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000436663678 1099193126 /nfs/dbraw/zinc/19/31/26/1099193126.db2.gz GMBVNMTZBRADLE-HNNXBMFYSA-N -1 1 361.397 4.245 20 0 FIADMM Cc1ccc(Oc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)cc1C ZINC000436671168 1099202418 /nfs/dbraw/zinc/20/24/18/1099202418.db2.gz ICFMDDGZNWAVNM-UHFFFAOYSA-N -1 1 362.385 4.018 20 0 FIADMM O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000436689469 1099222931 /nfs/dbraw/zinc/22/29/31/1099222931.db2.gz OCIKFVZIPCYPRH-AZUAARDMSA-N -1 1 369.367 4.084 20 0 FIADMM CN(C)C(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1Cl ZINC000436709541 1099226473 /nfs/dbraw/zinc/22/64/73/1099226473.db2.gz OCMHALAEOPFLGT-UHFFFAOYSA-N -1 1 368.820 4.153 20 0 FIADMM CN(C)C(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1Cl ZINC000436710412 1099244096 /nfs/dbraw/zinc/24/40/96/1099244096.db2.gz TUCANLLUGBULBG-UHFFFAOYSA-N -1 1 368.820 4.153 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000436713341 1099244704 /nfs/dbraw/zinc/24/47/04/1099244704.db2.gz JBZIJTGWUGDBRL-KRWDZBQOSA-N -1 1 371.305 4.261 20 0 FIADMM CCOc1ccc(CN(C)C(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000436721523 1099253517 /nfs/dbraw/zinc/25/35/17/1099253517.db2.gz IPPGCRJUGHGHJW-UHFFFAOYSA-N -1 1 363.841 4.115 20 0 FIADMM C[C@@H](CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436738071 1099258368 /nfs/dbraw/zinc/25/83/68/1099258368.db2.gz MYIQNJBDFZNJLL-IRXDYDNUSA-N -1 1 363.457 4.172 20 0 FIADMM COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(F)ccc1[O-] ZINC000436759732 1099274839 /nfs/dbraw/zinc/27/48/39/1099274839.db2.gz FNDIXDDVSQUMAG-UHFFFAOYSA-N -1 1 371.433 4.444 20 0 FIADMM CC(C)CCOC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436750316 1099286988 /nfs/dbraw/zinc/28/69/88/1099286988.db2.gz FZCNAESAFCNHNV-UHFFFAOYSA-N -1 1 359.388 4.078 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000436765362 1099307417 /nfs/dbraw/zinc/30/74/17/1099307417.db2.gz XEWJGYDOLLUKAC-UHFFFAOYSA-N -1 1 360.335 4.091 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(CC(C)C)c2ccc(Cl)cc2)c1 ZINC000436786559 1099319759 /nfs/dbraw/zinc/31/97/59/1099319759.db2.gz DRLKFIYOMPVVBR-UHFFFAOYSA-N -1 1 360.841 4.307 20 0 FIADMM Cn1ccnc1COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436790189 1099321385 /nfs/dbraw/zinc/32/13/85/1099321385.db2.gz FVUCVQHXPQWNBX-UHFFFAOYSA-N -1 1 373.412 4.110 20 0 FIADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2C1 ZINC000069164691 1099330603 /nfs/dbraw/zinc/33/06/03/1099330603.db2.gz GMYXYJAIVVCKHE-INIZCTEOSA-N -1 1 372.509 4.410 20 0 FIADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000436813652 1099339677 /nfs/dbraw/zinc/33/96/77/1099339677.db2.gz PQEVVNJWFMIBHG-UHFFFAOYSA-N -1 1 369.396 4.004 20 0 FIADMM O=C1CCc2ccc(Nc3ccc([O-])c(F)c3F)c(Br)c21 ZINC001212013814 1099377524 /nfs/dbraw/zinc/37/75/24/1099377524.db2.gz LDQFKPMRHIQRMY-UHFFFAOYSA-N -1 1 354.150 4.305 20 0 FIADMM Cc1nc([C@H]2CCCO2)sc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436870173 1099380633 /nfs/dbraw/zinc/38/06/33/1099380633.db2.gz GLIBJIUTBPGBDB-GFCCVEGCSA-N -1 1 363.826 4.379 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(Br)c3F)n2)cc1F ZINC000436872241 1099382777 /nfs/dbraw/zinc/38/27/77/1099382777.db2.gz JTSCTZJVZDTEQJ-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc([O-])cc1F ZINC000436873853 1099386508 /nfs/dbraw/zinc/38/65/08/1099386508.db2.gz YEPMIYZZWHFDPG-NSHDSACASA-N -1 1 366.230 4.045 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CC(=O)c4ccccc43)n2)cc(Cl)c1[O-] ZINC000436873570 1099386924 /nfs/dbraw/zinc/38/69/24/1099386924.db2.gz QGMBIHTWBYQVJC-CYBMUJFWSA-N -1 1 370.792 4.213 20 0 FIADMM COc1ccc(N(Cc2ccco2)C(=O)c2ccc([O-])cc2F)cc1F ZINC000436878102 1099394897 /nfs/dbraw/zinc/39/48/97/1099394897.db2.gz ROZQLSVJYUNZHR-UHFFFAOYSA-N -1 1 359.328 4.119 20 0 FIADMM COc1cc(-c2noc(C[C@@H]3C=CCCC3)n2)cc(Br)c1[O-] ZINC000436880591 1099398091 /nfs/dbraw/zinc/39/80/91/1099398091.db2.gz RWHQSDQOLNJQIP-SNVBAGLBSA-N -1 1 365.227 4.112 20 0 FIADMM O=C(Nc1nc(-c2cccc3ccccc32)cs1)C(=O)c1ccc([O-])cc1 ZINC000436881734 1099399424 /nfs/dbraw/zinc/39/94/24/1099399424.db2.gz OOTJFKKDIVDGLB-UHFFFAOYSA-N -1 1 374.421 4.490 20 0 FIADMM COc1cc(-c2noc([C@@H]3CC=CC[C@H]3C)n2)cc(Br)c1[O-] ZINC000436881942 1099399541 /nfs/dbraw/zinc/39/95/41/1099399541.db2.gz ZFDZWBONHGDJRH-MWLCHTKSSA-N -1 1 365.227 4.283 20 0 FIADMM Cn1cc(-c2cc(F)ccc2NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436908011 1099416918 /nfs/dbraw/zinc/41/69/18/1099416918.db2.gz LOMPKDLSRZZLSF-UHFFFAOYSA-N -1 1 361.376 4.337 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4sccc4c3)no2)c1 ZINC000436925574 1099439702 /nfs/dbraw/zinc/43/97/02/1099439702.db2.gz CFQGPRMXCLGPJK-UHFFFAOYSA-N -1 1 351.387 4.282 20 0 FIADMM Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1NC(=O)N(C)C ZINC000436926524 1099441252 /nfs/dbraw/zinc/44/12/52/1099441252.db2.gz JWFNVBDSAYLBDB-UHFFFAOYSA-N -1 1 363.417 4.200 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000436928689 1099443201 /nfs/dbraw/zinc/44/32/01/1099443201.db2.gz BWOXXMPCRAZOJC-HSZRJFAPSA-N -1 1 359.425 4.155 20 0 FIADMM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc2ccccc2cc1[O-] ZINC000436943112 1099455372 /nfs/dbraw/zinc/45/53/72/1099455372.db2.gz YOMYOTDXUQDHLF-WIYYLYMNSA-N -1 1 365.404 4.335 20 0 FIADMM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000436961284 1099476085 /nfs/dbraw/zinc/47/60/85/1099476085.db2.gz GSBDFAVEVSBLTA-UHFFFAOYSA-N -1 1 373.693 4.332 20 0 FIADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436980721 1099488524 /nfs/dbraw/zinc/48/85/24/1099488524.db2.gz ORQYUQYBNBMBCE-KGLIPLIRSA-N -1 1 374.278 4.481 20 0 FIADMM CSc1ccccc1CN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436992633 1099497017 /nfs/dbraw/zinc/49/70/17/1099497017.db2.gz VSNAJIDIHNAIME-UHFFFAOYSA-N -1 1 366.280 4.149 20 0 FIADMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1C ZINC000517425171 1100364120 /nfs/dbraw/zinc/36/41/20/1100364120.db2.gz JYSJSDWJYJZBNV-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ncsc1-c1ccccc1 ZINC000438151187 1100473167 /nfs/dbraw/zinc/47/31/67/1100473167.db2.gz LGVLRCMNPWRXFR-UHFFFAOYSA-N -1 1 370.381 4.019 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c(C)c1 ZINC000425957315 1100494170 /nfs/dbraw/zinc/49/41/70/1100494170.db2.gz ICIKJRNWEVNDCY-UHFFFAOYSA-N -1 1 361.463 4.033 20 0 FIADMM O=C1c2cc(Cl)ccc2N[C@@H](c2cc(F)c([O-])c(F)c2)N1CC1CC1 ZINC000426090268 1100823616 /nfs/dbraw/zinc/82/36/16/1100823616.db2.gz RJIXIBWVUAPJOJ-QGZVFWFLSA-N -1 1 364.779 4.300 20 0 FIADMM O=C(C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000438770035 1100906322 /nfs/dbraw/zinc/90/63/22/1100906322.db2.gz CXXVUIJWEBMSPF-INIZCTEOSA-N -1 1 364.228 4.245 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)cc1 ZINC000438798079 1100918499 /nfs/dbraw/zinc/91/84/99/1100918499.db2.gz WJKJBUUXSXPVFS-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000438802474 1100921014 /nfs/dbraw/zinc/92/10/14/1100921014.db2.gz DCJDFRMTZCQRMG-UHFFFAOYSA-N -1 1 361.463 4.113 20 0 FIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438812624 1100925426 /nfs/dbraw/zinc/92/54/26/1100925426.db2.gz USTWAVKMKBONCU-UHFFFAOYSA-N -1 1 351.855 4.288 20 0 FIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438811542 1100933798 /nfs/dbraw/zinc/93/37/98/1100933798.db2.gz PVZKTWLRYNJZAJ-UHFFFAOYSA-N -1 1 351.855 4.288 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCSc4ccccc43)[nH][n-]2)s1 ZINC000439142600 1101197819 /nfs/dbraw/zinc/19/78/19/1101197819.db2.gz PLDXXEPENCUICY-ZDUSSCGKSA-N -1 1 355.488 4.087 20 0 FIADMM COc1ccccc1-c1cccc(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000426384434 1101432767 /nfs/dbraw/zinc/43/27/67/1101432767.db2.gz YRHQKCOJYCMKTJ-UHFFFAOYSA-N -1 1 365.458 4.067 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1F ZINC000475732776 1101532526 /nfs/dbraw/zinc/53/25/26/1101532526.db2.gz RMHYIFPRYYLLAJ-UHFFFAOYSA-N -1 1 369.286 4.232 20 0 FIADMM CC(C)Cc1nnc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)s1 ZINC000537347011 1101681070 /nfs/dbraw/zinc/68/10/70/1101681070.db2.gz GLEAGOADLSDLFX-UHFFFAOYSA-N -1 1 362.842 4.297 20 0 FIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006316079 1101709746 /nfs/dbraw/zinc/70/97/46/1101709746.db2.gz PLNFVFNUJHFADH-UHFFFAOYSA-N -1 1 361.206 4.011 20 0 FIADMM COc1cc(C(=O)NC(C)(C)c2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000460209418 1101710842 /nfs/dbraw/zinc/71/08/42/1101710842.db2.gz HBYNYSJIPZMBFO-UHFFFAOYSA-N -1 1 354.233 4.373 20 0 FIADMM CCn1nccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475821481 1101968314 /nfs/dbraw/zinc/96/83/14/1101968314.db2.gz YZJXYVPAZBICTJ-UHFFFAOYSA-N -1 1 361.854 4.024 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000519200866 1102005136 /nfs/dbraw/zinc/00/51/36/1102005136.db2.gz LBEOLCGKMDMCGK-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1 ZINC000476263582 1102090324 /nfs/dbraw/zinc/09/03/24/1102090324.db2.gz XXGJTBPLHHDSGG-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM COc1ccc(C(=O)CCCCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000476334303 1102124171 /nfs/dbraw/zinc/12/41/71/1102124171.db2.gz GCJMVIYUJNCEOB-UHFFFAOYSA-N -1 1 359.397 4.312 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000475836394 1102138795 /nfs/dbraw/zinc/13/87/95/1102138795.db2.gz SXCKBWATOVAVSC-UHFFFAOYSA-N -1 1 355.818 4.181 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1 ZINC000475836306 1102139296 /nfs/dbraw/zinc/13/92/96/1102139296.db2.gz UDGALYJFYUPKRF-UHFFFAOYSA-N -1 1 368.458 4.004 20 0 FIADMM CSc1cccc(F)c1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001272054251 1102171920 /nfs/dbraw/zinc/17/19/20/1102171920.db2.gz DCZDFCFISUEANN-UHFFFAOYSA-N -1 1 361.335 4.234 20 0 FIADMM C[C@@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1cc2cnccc2o1 ZINC001648994599 1102175154 /nfs/dbraw/zinc/17/51/54/1102175154.db2.gz WFHHGLAUCFWCKY-SNVBAGLBSA-N -1 1 367.792 4.226 20 0 FIADMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000041013425 1102342957 /nfs/dbraw/zinc/34/29/57/1102342957.db2.gz KWFWYPSCFDLDOD-UHFFFAOYSA-N -1 1 360.826 4.285 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000121700839 1102439845 /nfs/dbraw/zinc/43/98/45/1102439845.db2.gz DCCBFBOPBRHCDB-UHFFFAOYSA-N -1 1 362.385 4.395 20 0 FIADMM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000473677083 1102499451 /nfs/dbraw/zinc/49/94/51/1102499451.db2.gz PBYPNWXQEMGQRG-AWEZNQCLSA-N -1 1 373.412 4.342 20 0 FIADMM O=C(Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1)c1ccccc1 ZINC000532621161 1102596182 /nfs/dbraw/zinc/59/61/82/1102596182.db2.gz GPXHDQWCUVZNSE-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(Br)c1 ZINC000061122726 1102632404 /nfs/dbraw/zinc/63/24/04/1102632404.db2.gz IMFJNOYOBCFUIE-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1ccc2ccccc2c1F ZINC001211937154 1102836616 /nfs/dbraw/zinc/83/66/16/1102836616.db2.gz WAYVKOGZRGZBJQ-KRWDZBQOSA-N -1 1 365.376 4.264 20 0 FIADMM O=C([O-])[C@@]1(NCc2cccc(Cl)c2Cl)CCc2c1cccc2F ZINC000551057869 1102873481 /nfs/dbraw/zinc/87/34/81/1102873481.db2.gz ITYKHPZDDBAYSJ-QGZVFWFLSA-N -1 1 354.208 4.148 20 0 FIADMM CC(C)Cc1ncc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000426728839 1102948393 /nfs/dbraw/zinc/94/83/93/1102948393.db2.gz XVHOCHRNZZCALZ-HNNXBMFYSA-N -1 1 356.850 4.050 20 0 FIADMM CC(C)Cc1ncc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000426728840 1102948523 /nfs/dbraw/zinc/94/85/23/1102948523.db2.gz XVHOCHRNZZCALZ-OAHLLOKOSA-N -1 1 356.850 4.050 20 0 FIADMM Cc1cccc([C@@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1C ZINC000426737444 1102955671 /nfs/dbraw/zinc/95/56/71/1102955671.db2.gz OACYMUYRRDBZFE-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM O=C([O-])[C@@H](NCc1csc(Br)c1)c1cccc(Cl)c1 ZINC000426737740 1102955701 /nfs/dbraw/zinc/95/57/01/1102955701.db2.gz PSKUNRNITJGTHX-LBPRGKRZSA-N -1 1 360.660 4.080 20 0 FIADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000426754171 1102969647 /nfs/dbraw/zinc/96/96/47/1102969647.db2.gz OEKNNRPTXZYKEJ-OAHLLOKOSA-N -1 1 358.196 4.057 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000426756290 1102971198 /nfs/dbraw/zinc/97/11/98/1102971198.db2.gz JDHBWUJJAOCCCC-LRDDRELGSA-N -1 1 358.488 4.423 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1F ZINC000426770064 1102976819 /nfs/dbraw/zinc/97/68/19/1102976819.db2.gz ORDQXBFRIGARSH-CQSZACIVSA-N -1 1 361.722 4.413 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2Cl)c1 ZINC000426775293 1102979498 /nfs/dbraw/zinc/97/94/98/1102979498.db2.gz ZEZWYGDKKOGQGG-MRXNPFEDSA-N -1 1 354.233 4.308 20 0 FIADMM COc1ccccc1-c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426787133 1102990701 /nfs/dbraw/zinc/99/07/01/1102990701.db2.gz BCNKEYPXDNYNDC-NRFANRHFSA-N -1 1 365.404 4.417 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1Cl)c1ccsc1 ZINC000426792158 1102993071 /nfs/dbraw/zinc/99/30/71/1102993071.db2.gz LDIYEIORCFAOIY-LBPRGKRZSA-N -1 1 360.660 4.080 20 0 FIADMM CCc1ccc([C@@H](NCc2cc(Br)ccc2F)C(=O)[O-])cc1 ZINC000426798443 1102998316 /nfs/dbraw/zinc/99/83/16/1102998316.db2.gz IWIFCPYYGBKMIF-MRXNPFEDSA-N -1 1 366.230 4.066 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc3cc(C)c(C)cc3o2)c1 ZINC000426804312 1103002240 /nfs/dbraw/zinc/00/22/40/1103002240.db2.gz SZTBRMOSQICYOB-LJQANCHMSA-N -1 1 353.418 4.364 20 0 FIADMM O=C([O-])[C@@H](NCc1ccccc1Cl)c1ccc(Br)cc1 ZINC000426813754 1103008186 /nfs/dbraw/zinc/00/81/86/1103008186.db2.gz ZGNQPIWOQYGUBY-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM CCn1nc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c2ccccc21 ZINC000426816377 1103011639 /nfs/dbraw/zinc/01/16/39/1103011639.db2.gz KICORWYZIJHJRS-MRXNPFEDSA-N -1 1 357.841 4.015 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(-c2ccncc2)c1)c1ccc(F)cc1F ZINC000426823068 1103019829 /nfs/dbraw/zinc/01/98/29/1103019829.db2.gz ANNBFVNYAILKAJ-FQEVSTJZSA-N -1 1 368.383 4.332 20 0 FIADMM COc1ccccc1[C@H](NCc1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000426827261 1103024668 /nfs/dbraw/zinc/02/46/68/1103024668.db2.gz VRQSEMPMFFHKAN-HNNXBMFYSA-N -1 1 373.758 4.283 20 0 FIADMM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105434 1103105770 /nfs/dbraw/zinc/10/57/70/1103105770.db2.gz DQBKBELBZOGBQE-SKDZVZGDSA-N -1 1 357.454 4.095 20 0 FIADMM C[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCN1C(=O)c1ccccc1 ZINC000477107817 1103130311 /nfs/dbraw/zinc/13/03/11/1103130311.db2.gz HWTFDWFSLYCIAT-FQEVSTJZSA-N -1 1 372.852 4.069 20 0 FIADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000427102639 1103255759 /nfs/dbraw/zinc/25/57/59/1103255759.db2.gz TVTZYFKVWFUVCK-AWEZNQCLSA-N -1 1 350.340 4.173 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4scnc4c3)cc2s1 ZINC000427203556 1103332870 /nfs/dbraw/zinc/33/28/70/1103332870.db2.gz JWYDOZWJSJMBKG-UHFFFAOYSA-N -1 1 361.473 4.015 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2nc(-c3ccccc3)cs2)[n-]c1=O ZINC000427277027 1103401318 /nfs/dbraw/zinc/40/13/18/1103401318.db2.gz YJIFNXKHQPXKLR-XFXZXTDPSA-N -1 1 367.430 4.043 20 0 FIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427294078 1103418246 /nfs/dbraw/zinc/41/82/46/1103418246.db2.gz GQESZMYGJRIHKE-UHFFFAOYSA-N -1 1 364.517 4.436 20 0 FIADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1F ZINC000507602116 1103536062 /nfs/dbraw/zinc/53/60/62/1103536062.db2.gz HFNYLPAJHRDFQU-UHFFFAOYSA-N -1 1 369.417 4.496 20 0 FIADMM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cccc([O-])c2Cl)o1 ZINC000507700195 1103629291 /nfs/dbraw/zinc/62/92/91/1103629291.db2.gz GEPHRRFYHCCZLZ-INIZCTEOSA-N -1 1 355.825 4.037 20 0 FIADMM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cccc([O-])c2Cl)o1 ZINC000507700198 1103629321 /nfs/dbraw/zinc/62/93/21/1103629321.db2.gz GEPHRRFYHCCZLZ-MRXNPFEDSA-N -1 1 355.825 4.037 20 0 FIADMM CSc1ccc([O-])c(-c2nc(C3(c4ccccc4)CCOCC3)no2)c1 ZINC000664883061 1103679154 /nfs/dbraw/zinc/67/91/54/1103679154.db2.gz XTVKTFXCKZRJAP-UHFFFAOYSA-N -1 1 368.458 4.261 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2-c2csc(C)n2)c1 ZINC000477661211 1103777502 /nfs/dbraw/zinc/77/75/02/1103777502.db2.gz JNTGKBGWVHVQKI-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1csc2ccccc21 ZINC000551996103 1103848717 /nfs/dbraw/zinc/84/87/17/1103848717.db2.gz MFJGQFLMPGFGSK-UHFFFAOYSA-N -1 1 361.444 4.017 20 0 FIADMM CCCN(CC)C(=O)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445454018 1103890432 /nfs/dbraw/zinc/89/04/32/1103890432.db2.gz DPXFSDJSLUERMD-UHFFFAOYSA-N -1 1 369.396 4.120 20 0 FIADMM COc1ccc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c([O-])c1 ZINC000440736422 1103920812 /nfs/dbraw/zinc/92/08/12/1103920812.db2.gz YTYXVGTYMPRXIU-UHFFFAOYSA-N -1 1 363.388 4.410 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(C(F)(F)F)cc1Cl ZINC000538275065 1104093885 /nfs/dbraw/zinc/09/38/85/1104093885.db2.gz SYVZNHPOAJMQQE-UHFFFAOYSA-N -1 1 371.771 4.485 20 0 FIADMM CN(Cc1csc(Br)c1)C(=O)c1c([O-])cccc1Cl ZINC000049094669 1104467223 /nfs/dbraw/zinc/46/72/23/1104467223.db2.gz DCZXVAGPNUBQPM-UHFFFAOYSA-N -1 1 360.660 4.142 20 0 FIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1conc1C1CC1 ZINC000280822536 1104999965 /nfs/dbraw/zinc/99/99/65/1104999965.db2.gz RVALUVVVSXMJQF-UHFFFAOYSA-N -1 1 364.477 4.010 20 0 FIADMM COc1cccc(CN(Cc2cccc([O-])c2Cl)C[C@H]2CCCO2)c1 ZINC000507804694 1105140170 /nfs/dbraw/zinc/14/01/70/1105140170.db2.gz HLEPJSUWPIBIKK-GOSISDBHSA-N -1 1 361.869 4.235 20 0 FIADMM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1cccc(Cl)c1 ZINC000536457741 1105142256 /nfs/dbraw/zinc/14/22/56/1105142256.db2.gz BYTFAOLUCNZTRG-UHFFFAOYSA-N -1 1 358.850 4.127 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1 ZINC000427638176 1105191524 /nfs/dbraw/zinc/19/15/24/1105191524.db2.gz SSHYWMJFTHCAKI-UHFFFAOYSA-N -1 1 366.442 4.060 20 0 FIADMM COc1cc(SC)ccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000507966969 1105283165 /nfs/dbraw/zinc/28/31/65/1105283165.db2.gz FXUPVICFADJCGY-UHFFFAOYSA-N -1 1 371.911 4.055 20 0 FIADMM COc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000450969793 1106853487 /nfs/dbraw/zinc/85/34/87/1106853487.db2.gz PELFCROKIPYBEA-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccsc1 ZINC000444349551 1106879658 /nfs/dbraw/zinc/87/96/58/1106879658.db2.gz DUDHVZZBUGNXBG-CYBMUJFWSA-N -1 1 372.490 4.258 20 0 FIADMM COCc1cc(-c2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(F)cc2)no1 ZINC000487471795 1106907612 /nfs/dbraw/zinc/90/76/12/1106907612.db2.gz KEKXEXMJUQKJTG-UHFFFAOYSA-N -1 1 371.393 4.313 20 0 FIADMM CCS[C@H]1CCC[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301490013 1107046184 /nfs/dbraw/zinc/04/61/84/1107046184.db2.gz AIVUCUGSTIYRMQ-HOTGVXAUSA-N -1 1 358.511 4.337 20 0 FIADMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCO1 ZINC000451371789 1107066264 /nfs/dbraw/zinc/06/62/64/1107066264.db2.gz FIGASZURBVMPIF-WCQYABFASA-N -1 1 373.927 4.037 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCOC4(CCCCC4)C3)nc2)[n-]c(=O)c1C ZINC000301703697 1107117423 /nfs/dbraw/zinc/11/74/23/1107117423.db2.gz RBUIZPAGFWIZDF-KRWDZBQOSA-N -1 1 368.481 4.155 20 0 FIADMM Cc1cccc2c1OCC[C@H]2Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302623124 1107397077 /nfs/dbraw/zinc/39/70/77/1107397077.db2.gz AHKZSJYBVVIFKY-QGZVFWFLSA-N -1 1 362.433 4.105 20 0 FIADMM Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000320853030 1107424182 /nfs/dbraw/zinc/42/41/82/1107424182.db2.gz HSWSDPMPDCNXGJ-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000444402939 1107554678 /nfs/dbraw/zinc/55/46/78/1107554678.db2.gz VPGQZIFYUXTBSL-GTNSWQLSSA-N -1 1 366.244 4.301 20 0 FIADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000444402938 1107555717 /nfs/dbraw/zinc/55/57/17/1107555717.db2.gz VPGQZIFYUXTBSL-DIFFPNOSSA-N -1 1 366.244 4.301 20 0 FIADMM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc2ccccc2o1 ZINC000531248002 1107695335 /nfs/dbraw/zinc/69/53/35/1107695335.db2.gz DQIRIJLUXNFOBH-FZMZJTMJSA-N -1 1 365.813 4.060 20 0 FIADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000452639171 1107851813 /nfs/dbraw/zinc/85/18/13/1107851813.db2.gz BOYWRRRTIVEMPT-SCZZXKLOSA-N -1 1 355.278 4.214 20 0 FIADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000452639172 1107852230 /nfs/dbraw/zinc/85/22/30/1107852230.db2.gz BOYWRRRTIVEMPT-WCBMZHEXSA-N -1 1 355.278 4.214 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000016101605 1108680868 /nfs/dbraw/zinc/68/08/68/1108680868.db2.gz LEBKQCROUUYKIR-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H]3CCO[C@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445413337 1108721650 /nfs/dbraw/zinc/72/16/50/1108721650.db2.gz YFMNOLZNBXCPCE-DGCLKSJQSA-N -1 1 366.845 4.242 20 0 FIADMM CCOc1cc(-c2noc(CCO[C@H](C)CC(C)C)n2)cc(Cl)c1[O-] ZINC000445407339 1108731676 /nfs/dbraw/zinc/73/16/76/1108731676.db2.gz NICGGKSMJFXUIF-GFCCVEGCSA-N -1 1 368.861 4.488 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3ccc(OC)cn3)n2)cc(Cl)c1[O-] ZINC000445409744 1108732748 /nfs/dbraw/zinc/73/27/48/1108732748.db2.gz CSRSDINGHZTVAD-ALCCZGGFSA-N -1 1 373.796 4.068 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)COC4)n2)cc(Cl)c1[O-] ZINC000445408076 1108733503 /nfs/dbraw/zinc/73/35/03/1108733503.db2.gz YWJUBGNPABMUKF-UHFFFAOYSA-N -1 1 358.781 4.192 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(C(C)=O)cc3)n2)cc(Cl)c1[O-] ZINC000445409392 1108734677 /nfs/dbraw/zinc/73/46/77/1108734677.db2.gz UOHWBMHFCXBEPA-UHFFFAOYSA-N -1 1 358.781 4.364 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000532267449 1108737635 /nfs/dbraw/zinc/73/76/35/1108737635.db2.gz XDCBQWXUTSZXNT-OLZOCXBDSA-N -1 1 350.187 4.036 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCOc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445432503 1108741672 /nfs/dbraw/zinc/74/16/72/1108741672.db2.gz SYGXWLLLOQTYPU-ZDUSSCGKSA-N -1 1 372.808 4.409 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(C)cc4c[nH]nc43)n2)cc(Cl)c1[O-] ZINC000445430071 1108741871 /nfs/dbraw/zinc/74/18/71/1108741871.db2.gz IAUJOUDTXKCNEV-UHFFFAOYSA-N -1 1 370.796 4.346 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(OC)cc3F)n2)cc(Cl)c1[O-] ZINC000445429992 1108742676 /nfs/dbraw/zinc/74/26/76/1108742676.db2.gz GWSBJUDXKRKSOY-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM Cc1sc([C@@H](C)NC(=O)c2cncc([O-])c2)nc1-c1ccc(Cl)cc1 ZINC000532287795 1108746330 /nfs/dbraw/zinc/74/63/30/1108746330.db2.gz JBGJCGVJTPYCET-SNVBAGLBSA-N -1 1 373.865 4.364 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cccc(Br)c3)n2)c(Cl)c1 ZINC000445447004 1108748435 /nfs/dbraw/zinc/74/84/35/1108748435.db2.gz NQJUMYASAIMWJX-UHFFFAOYSA-N -1 1 365.614 4.449 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc(F)cc3F)n2)cc(Cl)c1[O-] ZINC000445421521 1108749260 /nfs/dbraw/zinc/74/92/60/1108749260.db2.gz HMIVYKNFQMTFKN-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM CC(=O)c1cccc(O[C@@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445449191 1108751574 /nfs/dbraw/zinc/75/15/74/1108751574.db2.gz UNSXCMWKAYKTQZ-NSHDSACASA-N -1 1 358.781 4.438 20 0 FIADMM COc1cccc(CO[C@@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450183 1108753170 /nfs/dbraw/zinc/75/31/70/1108753170.db2.gz ROZWHFTWXUOQKG-NSHDSACASA-N -1 1 360.797 4.382 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3COc4ccc(Cl)cc4C3)n2)c(Cl)c1 ZINC000445451486 1108754505 /nfs/dbraw/zinc/75/45/05/1108754505.db2.gz GGCZWQFXHQENBC-JTQLQIEISA-N -1 1 363.200 4.468 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)nn1-c1ccccc1 ZINC000445444051 1108769478 /nfs/dbraw/zinc/76/94/78/1108769478.db2.gz DSFSLONXIFYQNC-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM COc1ccc2c(c1)C=C(c1nc(-c3ccc([O-])cc3Cl)no1)CO2 ZINC000445444062 1108770030 /nfs/dbraw/zinc/77/00/30/1108770030.db2.gz DUUSGQMYFZZVMI-UHFFFAOYSA-N -1 1 356.765 4.037 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OC[C@H]4CCCO4)c3)n2)c(Cl)c1 ZINC000445445591 1108770504 /nfs/dbraw/zinc/77/05/04/1108770504.db2.gz AFBZDSVKPRXPHI-OAHLLOKOSA-N -1 1 372.808 4.320 20 0 FIADMM Cc1noc2nc(C3CC3)cc(-c3nc(-c4ccc([O-])cc4Cl)no3)c12 ZINC000445446506 1108772959 /nfs/dbraw/zinc/77/29/59/1108772959.db2.gz DSGAJLJTMMLZGE-UHFFFAOYSA-N -1 1 368.780 4.485 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 ZINC000445465065 1108776354 /nfs/dbraw/zinc/77/63/54/1108776354.db2.gz XOGDGZYZHWPTHV-UHFFFAOYSA-N -1 1 364.188 4.374 20 0 FIADMM CCOc1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445453692 1108785640 /nfs/dbraw/zinc/78/56/40/1108785640.db2.gz JDLLLXAQZHOMTN-UITAMQMPSA-N -1 1 356.353 4.159 20 0 FIADMM Cc1oc(-c2ccccc2)nc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445455234 1108789118 /nfs/dbraw/zinc/78/91/18/1108789118.db2.gz JPTUCRXMOPMNNN-UHFFFAOYSA-N -1 1 351.337 4.136 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1-c1ccccc1Cl ZINC000445458169 1108791835 /nfs/dbraw/zinc/79/18/35/1108791835.db2.gz WDANWTGKAUCMEE-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM CC(=O)Nc1ccc(S[C@@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445477226 1108796885 /nfs/dbraw/zinc/79/68/85/1108796885.db2.gz MXXXGPWBNIURIU-JTQLQIEISA-N -1 1 373.409 4.393 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4cccc(F)c4)n3)n2)cc1F ZINC000445481505 1108801238 /nfs/dbraw/zinc/80/12/38/1108801238.db2.gz PNWWRCFZCRDBQJ-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)C2CC2)cc1 ZINC000524292996 1108953830 /nfs/dbraw/zinc/95/38/30/1108953830.db2.gz ZJRKCRZSLJXTRG-UHFFFAOYSA-N -1 1 353.827 4.045 20 0 FIADMM CCSc1ccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1 ZINC000445766759 1108975643 /nfs/dbraw/zinc/97/56/43/1108975643.db2.gz KAYCFVLCQVAZHN-UHFFFAOYSA-N -1 1 355.419 4.180 20 0 FIADMM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccc2ncccc2c1 ZINC000525330073 1109338791 /nfs/dbraw/zinc/33/87/91/1109338791.db2.gz UZVGGLOUWKRYNZ-UHFFFAOYSA-N -1 1 368.458 4.357 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1 ZINC000447267574 1109491335 /nfs/dbraw/zinc/49/13/35/1109491335.db2.gz PVPPTRDEZIBAJF-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447794817 1109641601 /nfs/dbraw/zinc/64/16/01/1109641601.db2.gz LQBKEIUISQLNCW-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447786720 1109645504 /nfs/dbraw/zinc/64/55/04/1109645504.db2.gz KEIJJJZNWRMRDJ-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CCOc1cc(-c2nc(CC3CCC(OC)CC3)no2)cc(Cl)c1[O-] ZINC000526948202 1109647642 /nfs/dbraw/zinc/64/76/42/1109647642.db2.gz CTPBQWBATOOPQV-UHFFFAOYSA-N -1 1 366.845 4.242 20 0 FIADMM COc1cc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000526942810 1109651750 /nfs/dbraw/zinc/65/17/50/1109651750.db2.gz CICNKKDGOUNZJL-WFASDCNBSA-N -1 1 363.816 4.259 20 0 FIADMM C[C@]1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC=CCC1 ZINC000448704828 1109868492 /nfs/dbraw/zinc/86/84/92/1109868492.db2.gz PIWVWFUWOQSSTJ-FQEVSTJZSA-N -1 1 370.474 4.172 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1Cl ZINC000582273711 1109989044 /nfs/dbraw/zinc/98/90/44/1109989044.db2.gz FJGKMKAXETVMBH-UHFFFAOYSA-N -1 1 374.849 4.211 20 0 FIADMM CC(C)c1nocc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000529174322 1110212815 /nfs/dbraw/zinc/21/28/15/1110212815.db2.gz SPEYJRMDTOEGFH-AWEZNQCLSA-N -1 1 368.462 4.370 20 0 FIADMM CCON1CCC(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000529538675 1110284268 /nfs/dbraw/zinc/28/42/68/1110284268.db2.gz JIKTYGLULXMNRR-UHFFFAOYSA-N -1 1 362.857 4.191 20 0 FIADMM O=C(NCCOc1ccccc1-c1ccccc1)c1c(F)ccc([O-])c1F ZINC000538345381 1111104699 /nfs/dbraw/zinc/10/46/99/1111104699.db2.gz KDKOAKQTIDTMAD-UHFFFAOYSA-N -1 1 369.367 4.146 20 0 FIADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000461207361 1111109802 /nfs/dbraw/zinc/10/98/02/1111109802.db2.gz BRWDVDKPJUVPNV-UHFFFAOYSA-N -1 1 365.669 4.292 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000538510687 1111174792 /nfs/dbraw/zinc/17/47/92/1111174792.db2.gz DBNDQXHHWNUTOG-HOCLYGCPSA-N -1 1 372.490 4.171 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)cc1C(N)=O ZINC000461433124 1111219805 /nfs/dbraw/zinc/21/98/05/1111219805.db2.gz PUXNWUOIPSYEQO-UHFFFAOYSA-N -1 1 374.506 4.142 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)sc1C ZINC000539117673 1111439267 /nfs/dbraw/zinc/43/92/67/1111439267.db2.gz NSDDVIQCTOEWIS-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000539237721 1111489689 /nfs/dbraw/zinc/48/96/89/1111489689.db2.gz COKJMXTXZPDOBL-UHFFFAOYSA-N -1 1 374.487 4.066 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000539260547 1111497851 /nfs/dbraw/zinc/49/78/51/1111497851.db2.gz WLVMWKVHDDAJKW-QWHCGFSZSA-N -1 1 364.214 4.344 20 0 FIADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478069263 1111676319 /nfs/dbraw/zinc/67/63/19/1111676319.db2.gz VPQVNZNHVXHVMJ-ICSRJNTNSA-N -1 1 372.490 4.108 20 0 FIADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc2c(c1)CCC2 ZINC000479238365 1111971735 /nfs/dbraw/zinc/97/17/35/1111971735.db2.gz CZCFDYAYLLMXBH-UHFFFAOYSA-N -1 1 350.443 4.038 20 0 FIADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479504432 1112049602 /nfs/dbraw/zinc/04/96/02/1112049602.db2.gz SXQFYBWSYWKFOT-UHFFFAOYSA-N -1 1 350.490 4.127 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(-c3cccc(C)c3)s2)c1 ZINC000553762151 1112075866 /nfs/dbraw/zinc/07/58/66/1112075866.db2.gz DEMIBHADXQTRON-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(C(F)F)cc1 ZINC000554688088 1112449489 /nfs/dbraw/zinc/44/94/89/1112449489.db2.gz JWOVGSLQTJZBFQ-UHFFFAOYSA-N -1 1 364.373 4.444 20 0 FIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccoc3C(F)(F)F)s2)cc1 ZINC000555028538 1112632893 /nfs/dbraw/zinc/63/28/93/1112632893.db2.gz PEORZBMVEIKYTH-UHFFFAOYSA-N -1 1 367.352 4.301 20 0 FIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000555143255 1112691912 /nfs/dbraw/zinc/69/19/12/1112691912.db2.gz YOIAPNZHENXIBT-UHFFFAOYSA-N -1 1 369.483 4.364 20 0 FIADMM O=C(CSC[C@@H]1CCCCO1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600135534 1112904838 /nfs/dbraw/zinc/90/48/38/1112904838.db2.gz IRTVGLOANDPSEZ-LBPRGKRZSA-N -1 1 365.882 4.440 20 0 FIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000481946136 1113141862 /nfs/dbraw/zinc/14/18/62/1113141862.db2.gz UKMNUIKBFIXAPA-UHFFFAOYSA-N -1 1 370.478 4.115 20 0 FIADMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000482684468 1113330813 /nfs/dbraw/zinc/33/08/13/1113330813.db2.gz POPZXUXKPHJOOL-UHFFFAOYSA-N -1 1 351.493 4.005 20 0 FIADMM CCOc1cccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000482735600 1113345790 /nfs/dbraw/zinc/34/57/90/1113345790.db2.gz MIZWFKSLXKNESW-UHFFFAOYSA-N -1 1 350.212 4.114 20 0 FIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000486835198 1113655682 /nfs/dbraw/zinc/65/56/82/1113655682.db2.gz HSMBHMZCCKUHQS-UHFFFAOYSA-N -1 1 374.506 4.014 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000908715190 1113687976 /nfs/dbraw/zinc/68/79/76/1113687976.db2.gz QDMWMTUDTGWMGT-BDAKNGLRSA-N -1 1 366.177 4.462 20 0 FIADMM CC(C)(C)OC1CC(CC(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)C1 ZINC000488819107 1113999667 /nfs/dbraw/zinc/99/96/67/1113999667.db2.gz HDFBXAHOQICEBY-UHFFFAOYSA-N -1 1 367.902 4.136 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnc(-c2ccsc2)s1 ZINC000489325534 1114089210 /nfs/dbraw/zinc/08/92/10/1114089210.db2.gz CROKETXZTRIDPO-UHFFFAOYSA-N -1 1 368.443 4.220 20 0 FIADMM Cc1ccoc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000490302560 1114265167 /nfs/dbraw/zinc/26/51/67/1114265167.db2.gz STUBJYYNGJDIBG-UHFFFAOYSA-N -1 1 354.642 4.027 20 0 FIADMM Cc1ccc(Cl)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000029605814 1114338711 /nfs/dbraw/zinc/33/87/11/1114338711.db2.gz QIUFJGSSLNLTHR-UHFFFAOYSA-N -1 1 364.883 4.270 20 0 FIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1C ZINC000571082828 1114432285 /nfs/dbraw/zinc/43/22/85/1114432285.db2.gz ZHVZZXRFMFVXEP-UHFFFAOYSA-N -1 1 364.776 4.171 20 0 FIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000055600316 1114497872 /nfs/dbraw/zinc/49/78/72/1114497872.db2.gz CTTBVWKJKJQUIO-UHFFFAOYSA-N -1 1 368.842 4.018 20 0 FIADMM O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1c([O-])cccc1Cl ZINC000760693351 1114580006 /nfs/dbraw/zinc/58/00/06/1114580006.db2.gz QVIWGLPLTSOTQE-ZDUSSCGKSA-N -1 1 374.651 4.206 20 0 FIADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC(C)(CC(C)C)CC1 ZINC000572498929 1114651432 /nfs/dbraw/zinc/65/14/32/1114651432.db2.gz BXURXMDATSFXAY-UHFFFAOYSA-N -1 1 357.498 4.403 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c(Cl)c1 ZINC000588844451 1114657190 /nfs/dbraw/zinc/65/71/90/1114657190.db2.gz JNLBLXKFYWIVHT-UHFFFAOYSA-N -1 1 371.911 4.055 20 0 FIADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000588833289 1114662165 /nfs/dbraw/zinc/66/21/65/1114662165.db2.gz HEKRQZPOXDPYRE-NSHDSACASA-N -1 1 359.369 4.214 20 0 FIADMM O=C(NC1CCC(O)(c2ccccc2)CC1)c1ccc2ccccc2c1[O-] ZINC000760716652 1114683934 /nfs/dbraw/zinc/68/39/34/1114683934.db2.gz VDMQUACNXODKFP-UHFFFAOYSA-N -1 1 361.441 4.106 20 0 FIADMM CCCC[C@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590101650 1114893905 /nfs/dbraw/zinc/89/39/05/1114893905.db2.gz REIHQKRFZLHPGO-OXJNMPFZSA-N -1 1 372.509 4.355 20 0 FIADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)c(Cl)nc1Cl ZINC000057914386 1115031485 /nfs/dbraw/zinc/03/14/85/1115031485.db2.gz WODDDNJTZWFDAY-UHFFFAOYSA-N -1 1 369.208 4.298 20 0 FIADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(OCC(F)(F)F)c1 ZINC001212167505 1115059170 /nfs/dbraw/zinc/05/91/70/1115059170.db2.gz YQBHVNCGYLDCLX-UHFFFAOYSA-N -1 1 351.280 4.183 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000591424635 1115075775 /nfs/dbraw/zinc/07/57/75/1115075775.db2.gz WXXMBLSEGHBJJB-UHFFFAOYSA-N -1 1 362.385 4.395 20 0 FIADMM CCOc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)cc(Cl)c1[O-] ZINC000573313256 1115094646 /nfs/dbraw/zinc/09/46/46/1115094646.db2.gz OIIPITONNIKGML-UHFFFAOYSA-N -1 1 354.859 4.451 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c(C)s1 ZINC000591683154 1115122270 /nfs/dbraw/zinc/12/22/70/1115122270.db2.gz NLIOADOFHOTLEN-UHFFFAOYSA-N -1 1 374.487 4.140 20 0 FIADMM CN(Cc1ccc(F)cc1F)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058205409 1115138846 /nfs/dbraw/zinc/13/88/46/1115138846.db2.gz VEJUWUKTJITZOD-UHFFFAOYSA-N -1 1 366.481 4.431 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1 ZINC000591796728 1115139560 /nfs/dbraw/zinc/13/95/60/1115139560.db2.gz OGLOKFYHURFURE-UHFFFAOYSA-N -1 1 351.296 4.142 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)oc1C ZINC000591797463 1115139649 /nfs/dbraw/zinc/13/96/49/1115139649.db2.gz VAHBFSKRCQGPNR-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM C/C(=C\C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C1CC1 ZINC000058225453 1115152878 /nfs/dbraw/zinc/15/28/78/1115152878.db2.gz HNOAMEIXLZZGTO-NTCAYCPXSA-N -1 1 370.474 4.091 20 0 FIADMM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000592008908 1115188156 /nfs/dbraw/zinc/18/81/56/1115188156.db2.gz AOOWZFNNAKNEED-UHFFFAOYSA-N -1 1 366.870 4.223 20 0 FIADMM O=C(NNc1ccc(Br)cc1)c1cc2ccccc2cc1[O-] ZINC000058636401 1115281923 /nfs/dbraw/zinc/28/19/23/1115281923.db2.gz YNICDICKFOVPDH-UHFFFAOYSA-N -1 1 357.207 4.065 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2nnc(-c3cccc(Cl)c3)o2)[n-]1 ZINC000574083210 1115285827 /nfs/dbraw/zinc/28/58/27/1115285827.db2.gz BLKDZUIBOQVDTQ-UHFFFAOYSA-N -1 1 370.768 4.116 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(C(F)F)c2)c1 ZINC000170636071 1115743817 /nfs/dbraw/zinc/74/38/17/1115743817.db2.gz SFIPXISVOXPNPN-UHFFFAOYSA-N -1 1 374.416 4.492 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2CCCCC2)cc1 ZINC000061037786 1115758716 /nfs/dbraw/zinc/75/87/16/1115758716.db2.gz ATORRHAHMJTTIA-UHFFFAOYSA-N -1 1 358.511 4.003 20 0 FIADMM CCN(C(=O)Cn1c(=S)[n-]nc1-c1cccs1)[C@@H]1CCCC[C@@H]1C ZINC000170773572 1115771287 /nfs/dbraw/zinc/77/12/87/1115771287.db2.gz YPXYOLOIWODXID-QWHCGFSZSA-N -1 1 364.540 4.096 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)c1 ZINC000599926146 1115856325 /nfs/dbraw/zinc/85/63/25/1115856325.db2.gz PBHCHOIMGWFRHG-UHFFFAOYSA-N -1 1 369.442 4.172 20 0 FIADMM COC(=O)Nc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1F ZINC000171298385 1115861585 /nfs/dbraw/zinc/86/15/85/1115861585.db2.gz QGNAIVIJDDOTEH-UHFFFAOYSA-N -1 1 354.337 4.115 20 0 FIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)cc(Cl)c2O1 ZINC000605494754 1115904351 /nfs/dbraw/zinc/90/43/51/1115904351.db2.gz AVUHZICQNDDQCQ-VIFPVBQESA-N -1 1 373.808 4.402 20 0 FIADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000605496822 1115904718 /nfs/dbraw/zinc/90/47/18/1115904718.db2.gz CBXMMKRXHIFXCJ-UHFFFAOYSA-N -1 1 355.463 4.002 20 0 FIADMM C[C@H]1CC(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C[C@H](C)C1 ZINC000172412603 1115940933 /nfs/dbraw/zinc/94/09/33/1115940933.db2.gz PECZKCPFGARNIC-VXGBXAGGSA-N -1 1 364.540 4.000 20 0 FIADMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1ccc2ccccc2n1 ZINC000606752755 1115967628 /nfs/dbraw/zinc/96/76/28/1115967628.db2.gz CSLACFNVNJYLMV-UHFFFAOYSA-N -1 1 366.364 4.196 20 0 FIADMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000606904592 1115981642 /nfs/dbraw/zinc/98/16/42/1115981642.db2.gz YDWQVSBHUGXGBP-UWVGGRQHSA-N -1 1 355.809 4.216 20 0 FIADMM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000608349868 1116101346 /nfs/dbraw/zinc/10/13/46/1116101346.db2.gz AXBHZWQMEQFKLQ-CQSZACIVSA-N -1 1 371.864 4.271 20 0 FIADMM Cc1ccc(OCc2nc(CC(=O)Nc3c([O-])cccc3F)cs2)cc1 ZINC000608366174 1116102376 /nfs/dbraw/zinc/10/23/76/1116102376.db2.gz FOJAAAHAZYSAIH-UHFFFAOYSA-N -1 1 372.421 4.056 20 0 FIADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000608365764 1116102473 /nfs/dbraw/zinc/10/24/73/1116102473.db2.gz JEDHRJAONLBPGQ-QWRGUYRKSA-N -1 1 355.287 4.172 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000608365820 1116102578 /nfs/dbraw/zinc/10/25/78/1116102578.db2.gz RVYPOHPAPUJRQE-UHFFFAOYSA-N -1 1 366.179 4.276 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1csc(-c2c(F)cccc2F)n1 ZINC000608367479 1116102635 /nfs/dbraw/zinc/10/26/35/1116102635.db2.gz RNDDFCFLMZHUDD-UHFFFAOYSA-N -1 1 350.321 4.185 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(-c3ccc(C)o3)n2)c(F)c1 ZINC000534068839 1116155381 /nfs/dbraw/zinc/15/53/81/1116155381.db2.gz QHVMKOGHWCHWRE-UHFFFAOYSA-N -1 1 362.357 4.445 20 0 FIADMM COCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000456292242 1116174868 /nfs/dbraw/zinc/17/48/68/1116174868.db2.gz OSVVVJZQXZROQF-MRXNPFEDSA-N -1 1 371.330 4.058 20 0 FIADMM CCOc1cc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc(Cl)c1[O-] ZINC000456572810 1116204434 /nfs/dbraw/zinc/20/44/34/1116204434.db2.gz CMTYMHQUCQKMCT-QGZVFWFLSA-N -1 1 361.825 4.405 20 0 FIADMM CC(C)COc1ncc(C(=O)Nc2ccc([O-])c(F)c2F)cc1Cl ZINC000456785543 1116218356 /nfs/dbraw/zinc/21/83/56/1116218356.db2.gz NKKJAOAVFCJWQA-UHFFFAOYSA-N -1 1 356.756 4.006 20 0 FIADMM O=C(Nc1ccc([O-])c(F)c1F)C1(c2cccc(Cl)c2)CCOCC1 ZINC000456792188 1116218688 /nfs/dbraw/zinc/21/86/88/1116218688.db2.gz HIZHOBTWNRPEHC-UHFFFAOYSA-N -1 1 367.779 4.011 20 0 FIADMM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1sccc1Br ZINC000385990492 1116233485 /nfs/dbraw/zinc/23/34/85/1116233485.db2.gz AUUHOQTVCIFSMY-SECBINFHSA-N -1 1 354.335 4.004 20 0 FIADMM CC[C@@H](C)n1ncc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1C1CC1 ZINC000534815622 1116238582 /nfs/dbraw/zinc/23/85/82/1116238582.db2.gz WIMBESZJAATXNE-LLVKDONJSA-N -1 1 369.494 4.166 20 0 FIADMM CC1(CC(F)(F)F)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000457100807 1116247988 /nfs/dbraw/zinc/24/79/88/1116247988.db2.gz PBDBJMYQHSHXQZ-UHFFFAOYSA-N -1 1 358.747 4.008 20 0 FIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cccc(F)c1F ZINC000534977829 1116257460 /nfs/dbraw/zinc/25/74/60/1116257460.db2.gz ZVANQFHPUJOVJQ-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535137707 1116273289 /nfs/dbraw/zinc/27/32/89/1116273289.db2.gz JYRZWQJAITYXOF-UHFFFAOYSA-N -1 1 370.833 4.019 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1-c1ccccc1 ZINC000535394759 1116303766 /nfs/dbraw/zinc/30/37/66/1116303766.db2.gz PMDWJCXSGQJVKG-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM O=C(Cc1cc(Cl)ccc1Br)Nc1ccc(F)cc1[O-] ZINC000535419681 1116304119 /nfs/dbraw/zinc/30/41/19/1116304119.db2.gz GKGYIXLLALNSPV-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000539616897 1116353457 /nfs/dbraw/zinc/35/34/57/1116353457.db2.gz NCLVTNBPHBXDET-CYBMUJFWSA-N -1 1 359.495 4.043 20 0 FIADMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)Cc1cccs1 ZINC000462494308 1116361677 /nfs/dbraw/zinc/36/16/77/1116361677.db2.gz YEFMAZWACOSJBO-QMMMGPOBSA-N -1 1 370.348 4.274 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@H](Cc4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000462822135 1117796019 /nfs/dbraw/zinc/79/60/19/1117796019.db2.gz SNGTUMJQDWCOQE-LJQANCHMSA-N -1 1 374.488 4.320 20 0 FIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C ZINC000540204028 1117931955 /nfs/dbraw/zinc/93/19/55/1117931955.db2.gz HRSJZKHWENSEFQ-UHFFFAOYSA-N -1 1 361.463 4.014 20 0 FIADMM CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)Cc3n[nH]c(=O)[n-]3)c2)cc1 ZINC000540349399 1117996398 /nfs/dbraw/zinc/99/63/98/1117996398.db2.gz NATKKICGXFCZLK-OAHLLOKOSA-N -1 1 366.465 4.158 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(F)c2ncccc12 ZINC000540457992 1118075604 /nfs/dbraw/zinc/07/56/04/1118075604.db2.gz LJYJAKMFHAEIMI-UHFFFAOYSA-N -1 1 367.405 4.170 20 0 FIADMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463532960 1118208164 /nfs/dbraw/zinc/20/81/64/1118208164.db2.gz PLWYGUHOSBDRQD-UHFFFAOYSA-N -1 1 357.884 4.009 20 0 FIADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000463901387 1118366145 /nfs/dbraw/zinc/36/61/45/1118366145.db2.gz ZPQXCCRDXBOFLR-HZPDHXFCSA-N -1 1 374.506 4.042 20 0 FIADMM CCCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000541465571 1118520977 /nfs/dbraw/zinc/52/09/77/1118520977.db2.gz GVGGHZVSLZYOCU-UHFFFAOYSA-N -1 1 355.825 4.436 20 0 FIADMM O=S(=O)(c1ccccc1)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000630062027 1118563842 /nfs/dbraw/zinc/56/38/42/1118563842.db2.gz MCVVGMZKLWWZSB-UHFFFAOYSA-N -1 1 373.861 4.491 20 0 FIADMM COc1ccc(OC)c([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000302642248 1118654089 /nfs/dbraw/zinc/65/40/89/1118654089.db2.gz RQCQCINQWQNSRS-CYBMUJFWSA-N -1 1 351.402 4.054 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(F)cc1C(F)(F)F ZINC000303226738 1118882625 /nfs/dbraw/zinc/88/26/25/1118882625.db2.gz XAZOMTVRAKSKIY-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM COC(=O)c1cc([O-])c(Br)c(O[C@@H](C)c2cccs2)c1 ZINC001233906175 1118898477 /nfs/dbraw/zinc/89/84/77/1118898477.db2.gz ZIOLYTHTVTZQEO-QMMMGPOBSA-N -1 1 357.225 4.143 20 0 FIADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)cc1 ZINC000542440696 1118930804 /nfs/dbraw/zinc/93/08/04/1118930804.db2.gz VIISKTKYSZXERB-AWEZNQCLSA-N -1 1 360.251 4.093 20 0 FIADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(Cl)c1 ZINC000491602398 1118967643 /nfs/dbraw/zinc/96/76/43/1118967643.db2.gz UFFXJVZSCRLVJU-UHFFFAOYSA-N -1 1 364.225 4.080 20 0 FIADMM CC(C)c1nccc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000172766190 1118976594 /nfs/dbraw/zinc/97/65/94/1118976594.db2.gz RCCIWYUVMWMQPF-UHFFFAOYSA-N -1 1 369.446 4.193 20 0 FIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000172885768 1118987114 /nfs/dbraw/zinc/98/71/14/1118987114.db2.gz ARUQNVIFPOGJTD-UHFFFAOYSA-N -1 1 372.490 4.268 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2ccccn2)CC1 ZINC000669957621 1119148005 /nfs/dbraw/zinc/14/80/05/1119148005.db2.gz IVXJUIPGYZALQZ-UHFFFAOYSA-N -1 1 367.836 4.009 20 0 FIADMM [O-]c1ccc(-c2noc(CCn3c4ccccc4nc3C3CC3)n2)c(F)c1 ZINC000516845473 1119450705 /nfs/dbraw/zinc/45/07/05/1119450705.db2.gz GFQJARSLJLFRKP-UHFFFAOYSA-N -1 1 364.380 4.051 20 0 FIADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541565 1119576941 /nfs/dbraw/zinc/57/69/41/1119576941.db2.gz FZCWXUHIFVZFOL-HUUCEWRRSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1F ZINC000184202066 1119598817 /nfs/dbraw/zinc/59/88/17/1119598817.db2.gz ADKPBFPVMGNGER-UHFFFAOYSA-N -1 1 365.323 4.234 20 0 FIADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190924740 1119954239 /nfs/dbraw/zinc/95/42/39/1119954239.db2.gz OVYAPCVZPZXXKJ-UHFFFAOYSA-N -1 1 356.813 4.492 20 0 FIADMM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000190945417 1119955272 /nfs/dbraw/zinc/95/52/72/1119955272.db2.gz ZPFZOIMHIMCAKK-UHFFFAOYSA-N -1 1 373.840 4.362 20 0 FIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000191889564 1120001023 /nfs/dbraw/zinc/00/10/23/1120001023.db2.gz VSOSHCITDKKUFT-UHFFFAOYSA-N -1 1 367.470 4.343 20 0 FIADMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1OC(C)C ZINC000192269005 1120048532 /nfs/dbraw/zinc/04/85/32/1120048532.db2.gz JERPRAYAIIOLHF-UHFFFAOYSA-N -1 1 350.802 4.485 20 0 FIADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000494827199 1120321134 /nfs/dbraw/zinc/32/11/34/1120321134.db2.gz SHMZCGOZMMWEHO-LBPRGKRZSA-N -1 1 352.356 4.338 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC2(CCCCC2)CC1 ZINC000227739504 1120384515 /nfs/dbraw/zinc/38/45/15/1120384515.db2.gz WZRRSVNRMMWOHB-UHFFFAOYSA-N -1 1 352.272 4.341 20 0 FIADMM CN(Cc1ccccc1-c1ccccc1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000495199046 1120539595 /nfs/dbraw/zinc/53/95/95/1120539595.db2.gz AULFSFGBEBYGPH-UHFFFAOYSA-N -1 1 363.486 4.079 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1C ZINC000232390352 1120718777 /nfs/dbraw/zinc/71/87/77/1120718777.db2.gz OAJRNQJKPFEWLN-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCOC(=O)C(=C([O-])CSc1ccc(Cl)cc1)c1nc(C)cs1 ZINC000495369763 1120758137 /nfs/dbraw/zinc/75/81/37/1120758137.db2.gz WLESPJNQMGTQRO-AWEZNQCLSA-N -1 1 369.895 4.113 20 0 FIADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)Cc2ccccc21 ZINC001649014585 1120823140 /nfs/dbraw/zinc/82/31/40/1120823140.db2.gz CRGFWWSJYRFNPJ-GFCCVEGCSA-N -1 1 352.821 4.353 20 0 FIADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000032086659 1121100390 /nfs/dbraw/zinc/10/03/90/1121100390.db2.gz XUJNRRBGKDBNGH-UHFFFAOYSA-N -1 1 369.490 4.413 20 0 FIADMM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000032548416 1121111025 /nfs/dbraw/zinc/11/10/25/1121111025.db2.gz OSNACUMWCXAXOB-UHFFFAOYSA-N -1 1 356.683 4.187 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cc1C(N)=O ZINC000032600920 1121112592 /nfs/dbraw/zinc/11/25/92/1121112592.db2.gz INFGMQRVGCLOET-UHFFFAOYSA-N -1 1 374.506 4.142 20 0 FIADMM CCCCCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046612139 1121285326 /nfs/dbraw/zinc/28/53/26/1121285326.db2.gz AICKTDNHGWRJKF-UHFFFAOYSA-N -1 1 360.479 4.315 20 0 FIADMM CCc1c(Cl)cc(Nc2cccnc2N2CCOCC2)c([O-])c1Cl ZINC001212364177 1121341686 /nfs/dbraw/zinc/34/16/86/1121341686.db2.gz AGSDUSIEPQRISF-UHFFFAOYSA-N -1 1 368.264 4.237 20 0 FIADMM COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1[O-] ZINC000111689766 1121560108 /nfs/dbraw/zinc/56/01/08/1121560108.db2.gz XAVNFCMUIMCIFI-WDZFZDKYSA-N -1 1 363.200 4.253 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2[nH]1 ZINC000063911890 1121593332 /nfs/dbraw/zinc/59/33/32/1121593332.db2.gz BTKKYOWNZQZELM-UHFFFAOYSA-N -1 1 372.343 4.435 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1 ZINC000064474631 1121616167 /nfs/dbraw/zinc/61/61/67/1121616167.db2.gz AWQNGAIZWQLBOZ-UHFFFAOYSA-N -1 1 350.490 4.127 20 0 FIADMM CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000065174565 1121661856 /nfs/dbraw/zinc/66/18/56/1121661856.db2.gz NECVVFJQYNOZTK-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000124275610 1121679081 /nfs/dbraw/zinc/67/90/81/1121679081.db2.gz HCYUEZYADYGCFB-UHFFFAOYSA-N -1 1 373.456 4.199 20 0 FIADMM O=C(c1ccc(O)cc1[O-])N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000124297219 1121681582 /nfs/dbraw/zinc/68/15/82/1121681582.db2.gz GLDSLQLMBBXDBW-UHFFFAOYSA-N -1 1 374.440 4.155 20 0 FIADMM C[C@@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1ccc2c(c1)CCO2 ZINC001649093059 1121744182 /nfs/dbraw/zinc/74/41/82/1121744182.db2.gz PUMJHYUZXNRXAK-LLVKDONJSA-N -1 1 368.820 4.020 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1Br)c1ccccc1 ZINC000125677881 1121805903 /nfs/dbraw/zinc/80/59/03/1121805903.db2.gz ZVSZSCWWINKGHT-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000068435871 1121828862 /nfs/dbraw/zinc/82/88/62/1121828862.db2.gz OGDOUEKJWDBPHK-UHFFFAOYSA-N -1 1 369.494 4.023 20 0 FIADMM C[C@@H](Nc1ccc2c(c1)OCO2)c1cc(Br)cc(F)c1[O-] ZINC000186242521 1121975967 /nfs/dbraw/zinc/97/59/67/1121975967.db2.gz JQFYKDUMIQGEDH-MRVPVSSYSA-N -1 1 354.175 4.196 20 0 FIADMM O=C([N-][C@H](c1nccs1)c1ccccc1)C(F)(F)c1ccccc1F ZINC000765779967 1121982049 /nfs/dbraw/zinc/98/20/49/1121982049.db2.gz ZHBRABRLEYOUAJ-HNNXBMFYSA-N -1 1 362.376 4.280 20 0 FIADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000126808356 1122002341 /nfs/dbraw/zinc/00/23/41/1122002341.db2.gz XPCASVPAFZXGSW-CYBMUJFWSA-N -1 1 360.679 4.322 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2o1 ZINC000066410286 1122061185 /nfs/dbraw/zinc/06/11/85/1122061185.db2.gz IGGXPHOOVDZLKO-UHFFFAOYSA-N -1 1 374.315 4.095 20 0 FIADMM CC(C)Oc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000053819926 1122089319 /nfs/dbraw/zinc/08/93/19/1122089319.db2.gz FRHGHIZJLOXHGI-UHFFFAOYSA-N -1 1 374.491 4.095 20 0 FIADMM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cccc2nc[nH]c21 ZINC000127790976 1122147393 /nfs/dbraw/zinc/14/73/93/1122147393.db2.gz GTQITKRAWKDJNI-UHFFFAOYSA-N -1 1 356.596 4.481 20 0 FIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1c(F)cccc1F ZINC000127889792 1122159000 /nfs/dbraw/zinc/15/90/00/1122159000.db2.gz FWFIGCGCOBFMBP-UHFFFAOYSA-N -1 1 369.443 4.422 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)oc1C ZINC000054293941 1122166195 /nfs/dbraw/zinc/16/61/95/1122166195.db2.gz LXOUCIHSTVKHCY-UHFFFAOYSA-N -1 1 368.458 4.248 20 0 FIADMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000917128319 1122196007 /nfs/dbraw/zinc/19/60/07/1122196007.db2.gz SHDATWUQTWRRSY-UHFFFAOYSA-N -1 1 371.809 4.094 20 0 FIADMM COc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC001272821790 1122232741 /nfs/dbraw/zinc/23/27/41/1122232741.db2.gz HTKCVFMFYKSEJW-LBPRGKRZSA-N -1 1 371.305 4.008 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000055594934 1122256049 /nfs/dbraw/zinc/25/60/49/1122256049.db2.gz IIXXZMDAAFQKEO-UHFFFAOYSA-N -1 1 366.870 4.106 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1NC(=O)c1ccccc1 ZINC000055663230 1122260194 /nfs/dbraw/zinc/26/01/94/1122260194.db2.gz DIIWSZZTEDJOAT-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc2o1 ZINC000917735013 1122421479 /nfs/dbraw/zinc/42/14/79/1122421479.db2.gz PSAHTVDIOPUJRB-UHFFFAOYSA-N -1 1 372.446 4.258 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(O)ccc2Cl)c1 ZINC000498222094 1122637775 /nfs/dbraw/zinc/63/77/75/1122637775.db2.gz PQLSHOYADRKNNO-UHFFFAOYSA-N -1 1 356.603 4.074 20 0 FIADMM CC[C@H]1CCC[C@@H](NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000154927438 1122926035 /nfs/dbraw/zinc/92/60/35/1122926035.db2.gz IWOFTTBDKYTSAP-DOTOQJQBSA-N -1 1 372.538 4.391 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cc(F)cc(F)c1 ZINC000556847436 1123132122 /nfs/dbraw/zinc/13/21/22/1123132122.db2.gz KFBKXOQCHQRUQF-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000073350934 1123213965 /nfs/dbraw/zinc/21/39/65/1123213965.db2.gz SOSFFYJWCWAKNG-UHFFFAOYSA-N -1 1 352.821 4.456 20 0 FIADMM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000920462289 1123459670 /nfs/dbraw/zinc/45/96/70/1123459670.db2.gz BUIYEZPVFJGFIQ-JTQLQIEISA-N -1 1 373.758 4.262 20 0 FIADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000920464387 1123460676 /nfs/dbraw/zinc/46/06/76/1123460676.db2.gz NLPWQUVLJHLXEN-JTQLQIEISA-N -1 1 373.758 4.478 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cnc3ccccc3c2)c1 ZINC000133786086 1123534319 /nfs/dbraw/zinc/53/43/19/1123534319.db2.gz BJANICVJJZAUGZ-UHFFFAOYSA-N -1 1 371.234 4.193 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(Cl)c3C)c2C)o1 ZINC000135405795 1123751748 /nfs/dbraw/zinc/75/17/48/1123751748.db2.gz BJBAWUJEISJBCO-UHFFFAOYSA-N -1 1 365.842 4.049 20 0 FIADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000078677141 1123798579 /nfs/dbraw/zinc/79/85/79/1123798579.db2.gz FUOPXMGWDLAUSK-UHFFFAOYSA-N -1 1 358.316 4.127 20 0 FIADMM O=c1nc(CN2CCC(c3cc4ccccc4[nH]3)CC2)[n-]c2ccsc21 ZINC000068345023 1124198884 /nfs/dbraw/zinc/19/88/84/1124198884.db2.gz ORUOKPRXDYYAIE-UHFFFAOYSA-N -1 1 364.474 4.258 20 0 FIADMM Cc1c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)sc2nccc(C)c12 ZINC000617365677 1124523257 /nfs/dbraw/zinc/52/32/57/1124523257.db2.gz FELCGYBWXKXJQR-UHFFFAOYSA-N -1 1 354.460 4.039 20 0 FIADMM CCS(=O)(=O)c1ccc([O-])c(Nc2c(Cl)cc(F)cc2Cl)c1 ZINC001214475337 1124772935 /nfs/dbraw/zinc/77/29/35/1124772935.db2.gz SOVRGUHQMXLIOF-UHFFFAOYSA-N -1 1 364.225 4.375 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1OCC ZINC000007050874 1124858338 /nfs/dbraw/zinc/85/83/38/1124858338.db2.gz DJWKSFAJCAXJCW-UHFFFAOYSA-N -1 1 371.458 4.438 20 0 FIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)ccc21 ZINC000063476153 1124921204 /nfs/dbraw/zinc/92/12/04/1124921204.db2.gz XDRCWMUXJZDJTO-UHFFFAOYSA-N -1 1 356.447 4.055 20 0 FIADMM COc1cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)cc(Cl)c1[O-] ZINC000617914504 1124922899 /nfs/dbraw/zinc/92/28/99/1124922899.db2.gz BZTWMKIZKPPWHT-KRWDZBQOSA-N -1 1 361.825 4.405 20 0 FIADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ncoc1-c1ccccc1 ZINC000112014466 1124954788 /nfs/dbraw/zinc/95/47/88/1124954788.db2.gz KARMKZGFSNSIFG-UHFFFAOYSA-N -1 1 362.414 4.036 20 0 FIADMM COc1cc(C(=O)Nc2csc(-c3ccccc3)n2)cc(Cl)c1[O-] ZINC000672332695 1125010848 /nfs/dbraw/zinc/01/08/48/1125010848.db2.gz FUXDKXNHIIAULH-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000091051674 1125035787 /nfs/dbraw/zinc/03/57/87/1125035787.db2.gz IKMMGVBDMMBEIK-UHFFFAOYSA-N -1 1 359.369 4.293 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(Br)s1 ZINC000016129594 210154050 /nfs/dbraw/zinc/15/40/50/210154050.db2.gz KRQAWQBRFQQNPR-UHFFFAOYSA-N -1 1 370.652 4.104 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000063181327 212031054 /nfs/dbraw/zinc/03/10/54/212031054.db2.gz SFJIUMTXNYDVOP-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cc(F)c([O-])c(F)c1 ZINC000186663532 567965218 /nfs/dbraw/zinc/96/52/18/567965218.db2.gz WIUZQRCWKSEZFE-UHFFFAOYSA-N -1 1 355.300 4.059 20 0 FIADMM CC(C)CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025349141 568272004 /nfs/dbraw/zinc/27/20/04/568272004.db2.gz KSEYBUDTBPAVHR-MRXNPFEDSA-N -1 1 374.506 4.042 20 0 FIADMM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCCC1 ZINC000007503549 568523990 /nfs/dbraw/zinc/52/39/90/568523990.db2.gz JMPJNXBOEQRZPN-UHFFFAOYSA-N -1 1 353.491 4.416 20 0 FIADMM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1c(Cl)cccc1Cl ZINC000605164040 568592686 /nfs/dbraw/zinc/59/26/86/568592686.db2.gz GOVOYYUIXDHEEX-GFCCVEGCSA-N -1 1 360.287 4.119 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000619198229 1125527132 /nfs/dbraw/zinc/52/71/32/1125527132.db2.gz GZGJTZWPYGZVOB-SCLBCKFNSA-N -1 1 374.868 4.015 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC000182911532 1125675677 /nfs/dbraw/zinc/67/56/77/1125675677.db2.gz BQPAABRGWUKWQN-HWKANZROSA-N -1 1 367.630 4.163 20 0 FIADMM COc1ccc2c(c1)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)CCC2 ZINC000619938711 1125739807 /nfs/dbraw/zinc/73/98/07/1125739807.db2.gz DVWGWRFTRPPGQO-UHFFFAOYSA-N -1 1 351.324 4.013 20 0 FIADMM C[C@@]1(CCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1(Cl)Cl ZINC001648786688 1079652335 /nfs/dbraw/zinc/65/23/35/1079652335.db2.gz UWSYJGXXLXTCGX-OAHLLOKOSA-N -1 1 373.667 4.298 20 0 FIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)o1 ZINC000026540192 1079784857 /nfs/dbraw/zinc/78/48/57/1079784857.db2.gz OTPSSEYIXNEDTR-UHFFFAOYSA-N -1 1 368.458 4.330 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(-c3ccccc3)o2)cc1 ZINC000683171041 1079793177 /nfs/dbraw/zinc/79/31/77/1079793177.db2.gz FGTNCKXTUKRRAY-IBGZPJMESA-N -1 1 351.402 4.261 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(C(F)(F)F)ccc2F)cc1 ZINC000683170766 1079797594 /nfs/dbraw/zinc/79/75/94/1079797594.db2.gz AEBQKQOQUQJVLZ-MRXNPFEDSA-N -1 1 371.330 4.159 20 0 FIADMM Cc1cc2ncc(-c3nc4ccc(Oc5ccccc5)cc4c(=O)[n-]3)cn2n1 ZINC000620127035 1125785531 /nfs/dbraw/zinc/78/55/31/1125785531.db2.gz HHQYMVXCQNAECU-UHFFFAOYSA-N -1 1 369.384 4.146 20 0 FIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000029450405 1079905403 /nfs/dbraw/zinc/90/54/03/1079905403.db2.gz RZLFFUCBVWYQFM-MRXNPFEDSA-N -1 1 374.506 4.056 20 0 FIADMM CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000029450409 1079905700 /nfs/dbraw/zinc/90/57/00/1079905700.db2.gz RZLFFUCBVWYQFM-INIZCTEOSA-N -1 1 374.506 4.056 20 0 FIADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Br)ccc2Cl)C1 ZINC000233984362 1079908009 /nfs/dbraw/zinc/90/80/09/1079908009.db2.gz LGJPSJDYDACKFE-OAHLLOKOSA-N -1 1 360.679 4.179 20 0 FIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(C(F)F)s3)cs2)cc1 ZINC000108999211 1079911139 /nfs/dbraw/zinc/91/11/39/1079911139.db2.gz CWQFTCYTYNZFJY-UHFFFAOYSA-N -1 1 352.391 4.160 20 0 FIADMM CCC[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000036839861 1080126604 /nfs/dbraw/zinc/12/66/04/1080126604.db2.gz ROCSCUNVTSSJAE-CQSZACIVSA-N -1 1 352.228 4.052 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cnc(-c2ccco2)s1 ZINC000179584125 1080206503 /nfs/dbraw/zinc/20/65/03/1080206503.db2.gz QADRQIGUPUFGBP-AATRIKPKSA-N -1 1 370.415 4.270 20 0 FIADMM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000079059319 1080296304 /nfs/dbraw/zinc/29/63/04/1080296304.db2.gz FXNWVUSQIPKPJT-UHFFFAOYSA-N -1 1 358.404 4.075 20 0 FIADMM CC(C)Nc1cc(Br)ccc1NC(=O)c1ccc([O-])cc1F ZINC001167092300 1080307921 /nfs/dbraw/zinc/30/79/21/1080307921.db2.gz NIFPRZXUWDRWIL-UHFFFAOYSA-N -1 1 367.218 4.366 20 0 FIADMM O=C(N[C@H](CCO)c1ccc(Cl)c(F)c1)c1cc2ccccc2cc1[O-] ZINC001648804992 1080997384 /nfs/dbraw/zinc/99/73/84/1080997384.db2.gz UXUJCVPJDLIWSM-GOSISDBHSA-N -1 1 373.811 4.191 20 0 FIADMM O=C1CCCN1c1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1Cl ZINC000683592172 1081180026 /nfs/dbraw/zinc/18/00/26/1081180026.db2.gz PDNPKKXRVDONKM-UHFFFAOYSA-N -1 1 373.771 4.029 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(C(C)(C)C)[nH]n3)n2)cc(Cl)c1[O-] ZINC000683589571 1081180969 /nfs/dbraw/zinc/18/09/69/1081180969.db2.gz UKTVIFATWJUXTB-UHFFFAOYSA-N -1 1 362.817 4.182 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(Oc4nccs4)c3)n2)cc1F ZINC000683593982 1081189626 /nfs/dbraw/zinc/18/96/26/1081189626.db2.gz RNIJRWCVIIISCA-UHFFFAOYSA-N -1 1 355.350 4.497 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC[C@H]2CC=CCC2)c([O-])c1 ZINC001648820618 1081247817 /nfs/dbraw/zinc/24/78/17/1081247817.db2.gz CQPSIHHAIIPRBR-AWEZNQCLSA-N -1 1 360.454 4.215 20 0 FIADMM O=C(NCC[C@H]1CCc2ccccc21)c1c([O-])cnc2ccc(Cl)cc21 ZINC001648829173 1081266643 /nfs/dbraw/zinc/26/66/43/1081266643.db2.gz LBGGZCGLWHKDIE-CQSZACIVSA-N -1 1 366.848 4.444 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1c2c(sc1-n1cccc1)CSCC2 ZINC001648847444 1081288499 /nfs/dbraw/zinc/28/84/99/1081288499.db2.gz NQOHQNYASKZRPS-UHFFFAOYSA-N -1 1 374.462 4.425 20 0 FIADMM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(F)c3[O-])cc12 ZINC001648847515 1081288572 /nfs/dbraw/zinc/28/85/72/1081288572.db2.gz REPQUEQHHJSYAY-UHFFFAOYSA-N -1 1 367.405 4.492 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1c(Cl)cc(F)cc1Br ZINC001648851224 1081298609 /nfs/dbraw/zinc/29/86/09/1081298609.db2.gz ZJOGBKUCRWRGFY-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H](C2CCCCC2)C1 ZINC001648904679 1081360752 /nfs/dbraw/zinc/36/07/52/1081360752.db2.gz GCOQBSHMUFWFBN-CQSZACIVSA-N -1 1 352.272 4.197 20 0 FIADMM CC[C@@H](C)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)c1 ZINC001167322294 1081384744 /nfs/dbraw/zinc/38/47/44/1081384744.db2.gz XWZDLUUTWAJTMI-CQSZACIVSA-N -1 1 360.479 4.214 20 0 FIADMM C[S@@](=O)Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1Cl ZINC000115267235 1081548935 /nfs/dbraw/zinc/54/89/35/1081548935.db2.gz CJQAPNBQYSUFGX-VWLOTQADSA-N -1 1 373.861 4.330 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(SC(F)(F)F)cc1 ZINC000064937629 1081964048 /nfs/dbraw/zinc/96/40/48/1081964048.db2.gz ABHVWWCXPVDBND-UHFFFAOYSA-N -1 1 351.346 4.238 20 0 FIADMM Cc1oc([C@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000580582114 1082027225 /nfs/dbraw/zinc/02/72/25/1082027225.db2.gz MEURZYITPYGHHZ-NSHDSACASA-N -1 1 371.355 4.420 20 0 FIADMM COc1cc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)ccc1F ZINC000471623062 1082175475 /nfs/dbraw/zinc/17/54/75/1082175475.db2.gz ZXKHERRCPYDQJU-UHFFFAOYSA-N -1 1 361.847 4.010 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1csc(NC2CC2)n1 ZINC001167439623 1082239695 /nfs/dbraw/zinc/23/96/95/1082239695.db2.gz BSCPHBXZKUDILQ-UHFFFAOYSA-N -1 1 359.838 4.482 20 0 FIADMM COc1cc(OC)cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1 ZINC001167439650 1082241023 /nfs/dbraw/zinc/24/10/23/1082241023.db2.gz CKYUZZJARPBQBR-UHFFFAOYSA-N -1 1 357.793 4.468 20 0 FIADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000175984408 1082385430 /nfs/dbraw/zinc/38/54/30/1082385430.db2.gz HSXZQJHPEOXUQD-NSHDSACASA-N -1 1 368.330 4.017 20 0 FIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1SC ZINC000581342891 1082476149 /nfs/dbraw/zinc/47/61/49/1082476149.db2.gz NWZMCUGBPWXTSY-UHFFFAOYSA-N -1 1 357.497 4.460 20 0 FIADMM CCOc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000211484205 1082565806 /nfs/dbraw/zinc/56/58/06/1082565806.db2.gz LKYJJCUBEYYRNZ-HNHCUVKTSA-N -1 1 362.857 4.046 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C1CC1 ZINC000656739664 1082739293 /nfs/dbraw/zinc/73/92/93/1082739293.db2.gz QTXGFECWRCXDDY-UHFFFAOYSA-N -1 1 354.834 4.002 20 0 FIADMM Cc1ccc(OC(F)F)c(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000656764335 1082756011 /nfs/dbraw/zinc/75/60/11/1082756011.db2.gz GDRDRQODLARKQT-HRCADAONSA-N -1 1 353.409 4.062 20 0 FIADMM Cc1oc(C(=O)[O-])cc1C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000581889067 1082976555 /nfs/dbraw/zinc/97/65/55/1082976555.db2.gz FERQXGOURMJZFO-UHFFFAOYSA-N -1 1 354.406 4.006 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1cccc(C(F)F)c1 ZINC000780374139 1083017815 /nfs/dbraw/zinc/01/78/15/1083017815.db2.gz LZPIKWPTPDDZEB-UHFFFAOYSA-N -1 1 367.295 4.166 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000130847982 1083052218 /nfs/dbraw/zinc/05/22/18/1083052218.db2.gz QZOSVACYMWKHIV-ZDUSSCGKSA-N -1 1 355.419 4.210 20 0 FIADMM O=C(C=C1CCCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000065780276 1083412824 /nfs/dbraw/zinc/41/28/24/1083412824.db2.gz WRFIMOHZRCTQHR-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM Cc1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c(C(F)(F)F)o1 ZINC000472375606 1083488947 /nfs/dbraw/zinc/48/89/47/1083488947.db2.gz MQKAVXFBUYAFFI-PLNGDYQASA-N -1 1 369.324 4.474 20 0 FIADMM CN(Cc1cc2ccccc2o1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000177153071 1083684263 /nfs/dbraw/zinc/68/42/63/1083684263.db2.gz UUDZTBYGAHTCES-UHFFFAOYSA-N -1 1 370.503 4.429 20 0 FIADMM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000564043567 1083722904 /nfs/dbraw/zinc/72/29/04/1083722904.db2.gz UMAMNCJFHFSYCM-UHFFFAOYSA-N -1 1 369.437 4.337 20 0 FIADMM O=S(=O)([N-]C(CCC(F)(F)F)CCC(F)(F)F)c1cccs1 ZINC000657188502 1083926570 /nfs/dbraw/zinc/92/65/70/1083926570.db2.gz KAVUUNZNYABMSC-UHFFFAOYSA-N -1 1 369.352 4.080 20 0 FIADMM CSCc1ccccc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000612665328 1083972405 /nfs/dbraw/zinc/97/24/05/1083972405.db2.gz JJEYRCPYGKZDAZ-UHFFFAOYSA-N -1 1 358.488 4.207 20 0 FIADMM CCc1nc(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)[n-]c(=O)c1C ZINC000657263768 1084128670 /nfs/dbraw/zinc/12/86/70/1084128670.db2.gz GOXSDTYYFKXVER-SNVBAGLBSA-N -1 1 370.396 4.435 20 0 FIADMM Cc1c2cc(F)ccc2sc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639668 1084836513 /nfs/dbraw/zinc/83/65/13/1084836513.db2.gz MHBLRBCZQPCABY-UHFFFAOYSA-N -1 1 364.471 4.114 20 0 FIADMM Cc1oc(-c2ccccc2)nc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000582366084 1084910964 /nfs/dbraw/zinc/91/09/64/1084910964.db2.gz YZKRTICNFQQJME-MRXNPFEDSA-N -1 1 364.445 4.373 20 0 FIADMM CCc1nc(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)[n-]c(=O)c1C ZINC000582371211 1084913351 /nfs/dbraw/zinc/91/33/51/1084913351.db2.gz QQZPKOWAWVSYPN-GFCCVEGCSA-N -1 1 356.451 4.265 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000684862267 1084978472 /nfs/dbraw/zinc/97/84/72/1084978472.db2.gz MDOHLVFPACGJEE-DOVSJBTNSA-N -1 1 367.489 4.337 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000684866650 1084983764 /nfs/dbraw/zinc/98/37/64/1084983764.db2.gz UFXLMYSRAQXNTN-SKBHOOIQSA-N -1 1 367.489 4.337 20 0 FIADMM CCOc1ccc(OC)cc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874377 1085009375 /nfs/dbraw/zinc/00/93/75/1085009375.db2.gz UHDQVIRKYZBXOT-UHFFFAOYSA-N -1 1 355.312 4.071 20 0 FIADMM O=C(NCC1(c2cccc(F)c2)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875226 1085014333 /nfs/dbraw/zinc/01/43/33/1085014333.db2.gz CPMCMOPWVGCVRF-UHFFFAOYSA-N -1 1 353.315 4.012 20 0 FIADMM CC(C)(C)c1csc(CSc2nc([O-])cc(=O)n2C2CCCC2)n1 ZINC000176111792 1085073623 /nfs/dbraw/zinc/07/36/23/1085073623.db2.gz YMCCSKQBPDUADW-UHFFFAOYSA-N -1 1 365.524 4.110 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OCCOC)c2)cc1 ZINC000511142172 1085077951 /nfs/dbraw/zinc/07/79/51/1085077951.db2.gz DRAWAFXMMOXRRA-HNNXBMFYSA-N -1 1 363.479 4.026 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000152699024 1085112643 /nfs/dbraw/zinc/11/26/43/1085112643.db2.gz WUILCXGMDZDUFD-DLBZAZTESA-N -1 1 370.522 4.001 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc(C(F)F)c1 ZINC000780376947 1085127481 /nfs/dbraw/zinc/12/74/81/1085127481.db2.gz IZGUVJLLYDIHKL-UHFFFAOYSA-N -1 1 350.346 4.080 20 0 FIADMM CCCCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431448150 1085137114 /nfs/dbraw/zinc/13/71/14/1085137114.db2.gz JXMCXJSEQHBCPN-UHFFFAOYSA-N -1 1 365.065 4.436 20 0 FIADMM S=c1[n-]nc(CCC2CCCC2)n1CN1CCO[C@@H](c2ccccc2)C1 ZINC000195339987 1085168406 /nfs/dbraw/zinc/16/84/06/1085168406.db2.gz CEQNFPAHLSSHEE-GOSISDBHSA-N -1 1 372.538 4.094 20 0 FIADMM CC(C)([N-]C(=O)C(F)(F)c1nccs1)c1cccc(C(F)(F)F)c1 ZINC000756679056 1085290391 /nfs/dbraw/zinc/29/03/91/1085290391.db2.gz PLJUGHRTHNUOTJ-UHFFFAOYSA-N -1 1 364.339 4.305 20 0 FIADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000549536408 1085448324 /nfs/dbraw/zinc/44/83/24/1085448324.db2.gz KLPNBMLGBRLOLY-UHFFFAOYSA-N -1 1 360.251 4.078 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1 ZINC000511207570 1085829782 /nfs/dbraw/zinc/82/97/82/1085829782.db2.gz UARQOSMHUFCILC-UHFFFAOYSA-N -1 1 356.447 4.341 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000323187374 1085885109 /nfs/dbraw/zinc/88/51/09/1085885109.db2.gz QWXHGUVLUQFFOJ-UHFFFAOYSA-N -1 1 374.278 4.250 20 0 FIADMM COc1c(Nc2cc3ccc([O-])cc3oc2=O)cccc1C(F)(F)F ZINC001216636259 1085903409 /nfs/dbraw/zinc/90/34/09/1085903409.db2.gz WHEOVZBKMFICBF-UHFFFAOYSA-N -1 1 351.280 4.270 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1Br ZINC000040438798 1085907658 /nfs/dbraw/zinc/90/76/58/1085907658.db2.gz VIDLMUVYBGMKDV-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1NC(=O)c1ccco1 ZINC000582992107 1085996465 /nfs/dbraw/zinc/99/64/65/1085996465.db2.gz SXMSQMUWJAZZJE-UHFFFAOYSA-N -1 1 372.327 4.076 20 0 FIADMM CO[C@]1(C)C[C@@H](N(C)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1(C)C ZINC000652439764 1086057993 /nfs/dbraw/zinc/05/79/93/1086057993.db2.gz YWQSYPAWMXPODX-OXQOHEQNSA-N -1 1 374.506 4.144 20 0 FIADMM CC(C)[C@]1(C)C[C@H]1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253585457 1086247380 /nfs/dbraw/zinc/24/73/80/1086247380.db2.gz WUGGISLTTRKBJX-QAJFTPDKSA-N -1 1 369.490 4.134 20 0 FIADMM CC(C)C(C)(C)SCC(=O)C1([N-]C(=O)C(F)(F)F)CCCCC1 ZINC001307330127 1086469017 /nfs/dbraw/zinc/46/90/17/1086469017.db2.gz MJIMSWOFVNQVKK-UHFFFAOYSA-N -1 1 353.450 4.105 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccc(Br)cc1Cl)c1cccs1 ZINC000126481467 1086491489 /nfs/dbraw/zinc/49/14/89/1086491489.db2.gz DTUINSKRQXJFOP-GFCCVEGCSA-N -1 1 374.687 4.470 20 0 FIADMM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cc(Cl)sc1Cl ZINC000511975656 1086498603 /nfs/dbraw/zinc/49/86/03/1086498603.db2.gz YZOPSHSTQZISQB-SNVBAGLBSA-N -1 1 366.266 4.160 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](c2ccsc2)O1 ZINC000150872044 1086522408 /nfs/dbraw/zinc/52/24/08/1086522408.db2.gz KHSZMLPWSOEXKN-UGSOOPFHSA-N -1 1 353.443 4.209 20 0 FIADMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(C)(C)c1ccccc1 ZINC001143528192 1086608988 /nfs/dbraw/zinc/60/89/88/1086608988.db2.gz IMJXKQSRRBHELZ-GFCCVEGCSA-N -1 1 362.267 4.251 20 0 FIADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(C)(C)c1ccccc1 ZINC001143528193 1086609175 /nfs/dbraw/zinc/60/91/75/1086609175.db2.gz IMJXKQSRRBHELZ-LBPRGKRZSA-N -1 1 362.267 4.251 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1-c1ccccc1 ZINC000545136070 1086616673 /nfs/dbraw/zinc/61/66/73/1086616673.db2.gz RSYLRKQPWTUHQO-UHFFFAOYSA-N -1 1 365.454 4.493 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COC)c2)c2ccccc12 ZINC000511239621 1086654966 /nfs/dbraw/zinc/65/49/66/1086654966.db2.gz HOVKFBUAHYLJAK-UHFFFAOYSA-N -1 1 371.458 4.186 20 0 FIADMM O=C1CCc2ccc(Nc3cc(F)c([O-])c(F)c3)c(Br)c21 ZINC001213386463 1086715429 /nfs/dbraw/zinc/71/54/29/1086715429.db2.gz FCLJSQYVEDHURA-UHFFFAOYSA-N -1 1 354.150 4.305 20 0 FIADMM CC(C)c1ncc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)s1 ZINC000536044286 1086730796 /nfs/dbraw/zinc/73/07/96/1086730796.db2.gz WGAYKDWOEPBAMT-UHFFFAOYSA-N -1 1 352.872 4.046 20 0 FIADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(CC(F)(F)F)cc1 ZINC000584207243 1087219352 /nfs/dbraw/zinc/21/93/52/1087219352.db2.gz LHXJILYLJPJRFY-UHFFFAOYSA-N -1 1 366.364 4.140 20 0 FIADMM COc1ccc(Oc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cn2)cc1 ZINC000584377851 1087307799 /nfs/dbraw/zinc/30/77/99/1087307799.db2.gz IDRAUADBNMHUFD-UHFFFAOYSA-N -1 1 372.327 4.119 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000081681692 1087325968 /nfs/dbraw/zinc/32/59/68/1087325968.db2.gz RVTYXWKRGXXYGC-UHFFFAOYSA-N -1 1 369.509 4.064 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000172803752 1087438017 /nfs/dbraw/zinc/43/80/17/1087438017.db2.gz PZKRILPJVXHEGI-SFHVURJKSA-N -1 1 361.441 4.224 20 0 FIADMM COc1cc2nc(-c3ccc(-c4ccccc4)cc3)[n-]c(=O)c2cc1OC ZINC000114746711 1087462130 /nfs/dbraw/zinc/46/21/30/1087462130.db2.gz XPALDBWPBXLDFV-UHFFFAOYSA-N -1 1 358.397 4.274 20 0 FIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000096170938 1087465587 /nfs/dbraw/zinc/46/55/87/1087465587.db2.gz KNXDVOMSRRGZSS-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C(Nc1ncc(-c2ccccc2F)s1)c1c(F)ccc([O-])c1F ZINC000685487751 1087581323 /nfs/dbraw/zinc/58/13/23/1087581323.db2.gz AMZXGESVYZGAAE-UHFFFAOYSA-N -1 1 350.321 4.185 20 0 FIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1nc(-c2cccs2)no1 ZINC000685575234 1087633142 /nfs/dbraw/zinc/63/31/42/1087633142.db2.gz SHWQRMHUAXAIMA-LURJTMIESA-N -1 1 356.379 4.085 20 0 FIADMM C[C@H](CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)NC(=O)C1CCCC1 ZINC000628233054 1087672447 /nfs/dbraw/zinc/67/24/47/1087672447.db2.gz CTOLPRDRSNUQAP-GFCCVEGCSA-N -1 1 374.868 4.222 20 0 FIADMM CCOc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000186899437 1087687238 /nfs/dbraw/zinc/68/72/38/1087687238.db2.gz RJSUDTIFLSVXHK-UHFFFAOYSA-N -1 1 374.746 4.220 20 0 FIADMM O=C([O-])c1cc(NS(=O)(=O)c2csc3ccccc32)ccc1Cl ZINC000504695749 1087786648 /nfs/dbraw/zinc/78/66/48/1087786648.db2.gz RSMSMFOWIZQXCD-UHFFFAOYSA-N -1 1 367.835 4.054 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000176207096 1087893997 /nfs/dbraw/zinc/89/39/97/1087893997.db2.gz QMZJHSVZJZGWNK-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc(Cl)c1[O-] ZINC000186585263 1087931650 /nfs/dbraw/zinc/93/16/50/1087931650.db2.gz AIVFULZAVURPKC-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1C ZINC000162420627 1087938893 /nfs/dbraw/zinc/93/88/93/1087938893.db2.gz SQZJGQDIUKBMIZ-GFCCVEGCSA-N -1 1 374.824 4.082 20 0 FIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000031722690 1087986758 /nfs/dbraw/zinc/98/67/58/1087986758.db2.gz UFQYKUCCGVGBBF-UHFFFAOYSA-N -1 1 360.262 4.420 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc(Cl)c1[O-] ZINC000186852473 1088011218 /nfs/dbraw/zinc/01/12/18/1088011218.db2.gz DNMHTVQLXMXXPH-UHFFFAOYSA-N -1 1 359.809 4.216 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000186879785 1088023878 /nfs/dbraw/zinc/02/38/78/1088023878.db2.gz XHOMKAGWQSOVCW-HXUWFJFHSA-N -1 1 369.367 4.037 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)n1 ZINC000505310244 1088343642 /nfs/dbraw/zinc/34/36/42/1088343642.db2.gz FGERBKDGXZEKHN-INIZCTEOSA-N -1 1 363.458 4.029 20 0 FIADMM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1sccc1Cl ZINC001211643890 1088395047 /nfs/dbraw/zinc/39/50/47/1088395047.db2.gz NZGLZBOEHJKXMT-UMSPYCQHSA-N -1 1 362.303 4.279 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cc(Cl)cc(Cl)c1 ZINC000513818472 1088413785 /nfs/dbraw/zinc/41/37/85/1088413785.db2.gz CWAVJFMXQHZDOW-UHFFFAOYSA-N -1 1 369.229 4.449 20 0 FIADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1cc(-c2ccccc2)no1 ZINC000659793856 1088867016 /nfs/dbraw/zinc/86/70/16/1088867016.db2.gz WZFNCDSCDDVJEL-YLJYHZDGSA-N -1 1 354.450 4.197 20 0 FIADMM CN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801716 1088888732 /nfs/dbraw/zinc/88/87/32/1088888732.db2.gz KYTMCWDQIFIYPB-VDISTLRHSA-N -1 1 370.396 4.124 20 0 FIADMM CCCN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCCc2cccnc21 ZINC000613626408 1088974994 /nfs/dbraw/zinc/97/49/94/1088974994.db2.gz KZZKRFDARFKIFQ-GOSISDBHSA-N -1 1 361.445 4.265 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2F)c1 ZINC000066776095 1089068827 /nfs/dbraw/zinc/06/88/27/1089068827.db2.gz MIHPYPPXIIXNOC-UHFFFAOYSA-N -1 1 356.426 4.084 20 0 FIADMM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613667824 1089279008 /nfs/dbraw/zinc/27/90/08/1089279008.db2.gz HMXYSWKMZZWNEE-UHFFFAOYSA-N -1 1 374.400 4.009 20 0 FIADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc21 ZINC000435208346 1089426287 /nfs/dbraw/zinc/42/62/87/1089426287.db2.gz WGNIRGMIVZYYTR-UHFFFAOYSA-N -1 1 363.442 4.041 20 0 FIADMM COc1ccc(C(C)C)cc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000655481711 1089544953 /nfs/dbraw/zinc/54/49/53/1089544953.db2.gz NSZPHUPXZFBBOX-UHFFFAOYSA-N -1 1 374.506 4.488 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1c(Cl)cc(F)cc1Cl ZINC000435504525 1089721898 /nfs/dbraw/zinc/72/18/98/1089721898.db2.gz IGEYEGDLLOQOOW-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM COc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435505427 1089723280 /nfs/dbraw/zinc/72/32/80/1089723280.db2.gz OKOJCRVCMIOMSH-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069005 1089753015 /nfs/dbraw/zinc/75/30/15/1089753015.db2.gz WKTZOXLVIGLXMR-KUHUBIRLSA-N -1 1 355.434 4.145 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc(CN(CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069005 1089753032 /nfs/dbraw/zinc/75/30/32/1089753032.db2.gz WKTZOXLVIGLXMR-KUHUBIRLSA-N -1 1 355.434 4.145 20 0 FIADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000549372562 1089940172 /nfs/dbraw/zinc/94/01/72/1089940172.db2.gz WGJLNRYWMHPODG-KWQFWETISA-N -1 1 358.747 4.007 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)c2)o1 ZINC000460831082 1090008626 /nfs/dbraw/zinc/00/86/26/1090008626.db2.gz UNTQIOVIXHJBRM-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM Cc1cc(CCC(=O)Nc2cc([O-])c(F)cc2F)ccc1Br ZINC001625894499 1090090200 /nfs/dbraw/zinc/09/02/00/1090090200.db2.gz ZWOYZBVAHBOOMC-UHFFFAOYSA-N -1 1 370.193 4.313 20 0 FIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000180272516 1090182018 /nfs/dbraw/zinc/18/20/18/1090182018.db2.gz CQUNEEFEAGIWBR-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CCCOc1c(Cl)cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OCC ZINC000584593792 1090636390 /nfs/dbraw/zinc/63/63/90/1090636390.db2.gz NBEJALNRINLSLT-DZGCQCFKSA-N -1 1 369.889 4.070 20 0 FIADMM O=C(Nc1cccc(C(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364078071 1090810466 /nfs/dbraw/zinc/81/04/66/1090810466.db2.gz VLSCHAIGJIOSKL-UHFFFAOYSA-N -1 1 374.387 4.457 20 0 FIADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1sccc1Br ZINC000109111121 1090907906 /nfs/dbraw/zinc/90/79/06/1090907906.db2.gz WMLFJNAVNWQLSF-UHFFFAOYSA-N -1 1 372.294 4.343 20 0 FIADMM COc1ccc(F)c(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000417562749 1090921740 /nfs/dbraw/zinc/92/17/40/1090921740.db2.gz CTJMDPWPXXAPSR-MRXNPFEDSA-N -1 1 371.330 4.159 20 0 FIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c(Cl)c2)o1 ZINC000417577889 1090930067 /nfs/dbraw/zinc/93/00/67/1090930067.db2.gz XJDJITODNQTLLK-CYBMUJFWSA-N -1 1 372.646 4.310 20 0 FIADMM Cc1nn(C(C)C)cc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417587018 1090933074 /nfs/dbraw/zinc/93/30/74/1090933074.db2.gz NJHZOZVIXIFGQX-INIZCTEOSA-N -1 1 369.387 4.097 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(C3CCCC3)s2)c1 ZINC000417586463 1090933892 /nfs/dbraw/zinc/93/38/92/1090933892.db2.gz RJAMIUVEXXBQFG-KRWDZBQOSA-N -1 1 360.479 4.115 20 0 FIADMM O=C([O-])[C@@H](CC1CC1)NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000417616134 1090939534 /nfs/dbraw/zinc/93/95/34/1090939534.db2.gz DCTABMLTNLIXLQ-OAHLLOKOSA-N -1 1 353.340 4.308 20 0 FIADMM COc1cc(Cl)c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417624070 1090941977 /nfs/dbraw/zinc/94/19/77/1090941977.db2.gz KIQSQVMESAZDPB-XJKSGUPXSA-N -1 1 366.244 4.405 20 0 FIADMM O=C([O-])[C@H]1C[C@H](NCc2cc(Cl)ccc2OC(F)F)c2ccccc21 ZINC000417624779 1090947683 /nfs/dbraw/zinc/94/76/83/1090947683.db2.gz LBKUZTHWRMAPOO-GJZGRUSLSA-N -1 1 367.779 4.344 20 0 FIADMM Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417710220 1090965341 /nfs/dbraw/zinc/96/53/41/1090965341.db2.gz UMJOROBXSJOPGG-UHFFFAOYSA-N -1 1 364.367 4.274 20 0 FIADMM Cc1cccc(-n2ccnc2SCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000024887137 1091033666 /nfs/dbraw/zinc/03/36/66/1091033666.db2.gz BCHNFIPCCJNOCU-UHFFFAOYSA-N -1 1 364.426 4.285 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)cc1C ZINC000243383659 1091042412 /nfs/dbraw/zinc/04/24/12/1091042412.db2.gz MICVERJGPCSWFX-UHFFFAOYSA-N -1 1 362.470 4.234 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c(C)c1O ZINC000500289264 1091220177 /nfs/dbraw/zinc/22/01/77/1091220177.db2.gz KOVWCCZQZHSOES-UHFFFAOYSA-N -1 1 359.369 4.137 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(c2cc(Cl)c3ncccc3n2)CC1 ZINC000663740036 1091845353 /nfs/dbraw/zinc/84/53/53/1091845353.db2.gz UMBGQHPSOYVUAZ-UHFFFAOYSA-N -1 1 367.836 4.088 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(Br)ccc1Cl)c1cccs1 ZINC000236423348 1091959234 /nfs/dbraw/zinc/95/92/34/1091959234.db2.gz KRSSWXMTZGFSRY-LBPRGKRZSA-N -1 1 374.687 4.470 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cc3cc(C)c(C)cc3o2)[n-]c1=O ZINC000432696999 1092124667 /nfs/dbraw/zinc/12/46/67/1092124667.db2.gz VIQKHTKRKPDTTI-QPEQYQDCSA-N -1 1 352.390 4.282 20 0 FIADMM CCCCOc1ccc(F)cc1Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC001211719005 1092233064 /nfs/dbraw/zinc/23/30/64/1092233064.db2.gz RGYICZFAMYTDIT-UHFFFAOYSA-N -1 1 367.442 4.247 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nc(C3CCCC3)no2)cc1)c1ccccc1 ZINC000521028934 1092433329 /nfs/dbraw/zinc/43/33/29/1092433329.db2.gz OXNRTRGUYPYPQK-UHFFFAOYSA-N -1 1 369.446 4.195 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c([O-])c1 ZINC000051463719 1092455344 /nfs/dbraw/zinc/45/53/44/1092455344.db2.gz VOINHBWLUHXHQN-UHFFFAOYSA-N -1 1 366.461 4.280 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1F ZINC000442232490 1092504181 /nfs/dbraw/zinc/50/41/81/1092504181.db2.gz CKKPLQSAQJLMGB-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM O=C([N-]c1c(F)cccc1F)c1cc2sc(N3CCCC3)nc2s1 ZINC000279950320 1092657138 /nfs/dbraw/zinc/65/71/38/1092657138.db2.gz OTOILQACSJERIR-UHFFFAOYSA-N -1 1 365.430 4.489 20 0 FIADMM Cc1cccc(C2(C(=O)NCc3n[n-]c(=S)n3C(C)C)CCCCC2)c1 ZINC000067071754 1092761823 /nfs/dbraw/zinc/76/18/23/1092761823.db2.gz UNTVFFQWCSAOON-UHFFFAOYSA-N -1 1 372.538 4.348 20 0 FIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000521693704 1092862056 /nfs/dbraw/zinc/86/20/56/1092862056.db2.gz UZXMDWYHBHLZEQ-ZGAQZAOCSA-N -1 1 368.449 4.386 20 0 FIADMM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442951567 1092871439 /nfs/dbraw/zinc/87/14/39/1092871439.db2.gz HQXZIHBEXLEQMH-OAHLLOKOSA-N -1 1 363.841 4.334 20 0 FIADMM COc1cc(C(=O)N(Cc2ccccc2F)C(C)C)cc(Cl)c1[O-] ZINC000442943455 1092879191 /nfs/dbraw/zinc/87/91/91/1092879191.db2.gz MWMNSNHRPJWHQT-UHFFFAOYSA-N -1 1 351.805 4.244 20 0 FIADMM COc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cc(Cl)c1[O-] ZINC000443044837 1092916243 /nfs/dbraw/zinc/91/62/43/1092916243.db2.gz GZDJXDBGCGBSIF-VIFPVBQESA-N -1 1 367.779 4.092 20 0 FIADMM O=c1[nH]c(Cc2cccc(Br)c2[O-])nc2cc(Cl)ccc12 ZINC000443048279 1092916875 /nfs/dbraw/zinc/91/68/75/1092916875.db2.gz JRBUTOJWQBUPBY-UHFFFAOYSA-N -1 1 365.614 4.048 20 0 FIADMM Cc1sc2[nH]c(Cc3cccc(Br)c3[O-])nc(=O)c2c1C ZINC000443051671 1092929125 /nfs/dbraw/zinc/92/91/25/1092929125.db2.gz OZOPTRGIUYQPER-UHFFFAOYSA-N -1 1 365.252 4.073 20 0 FIADMM COc1cc(C(=O)Nc2nc3c(ccc(F)c3F)s2)cc(Cl)c1[O-] ZINC000443123203 1092954079 /nfs/dbraw/zinc/95/40/79/1092954079.db2.gz JXOUBOVQSDIYIB-UHFFFAOYSA-N -1 1 370.764 4.194 20 0 FIADMM CCOc1cc(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)cc(Cl)c1[O-] ZINC000443220836 1092996126 /nfs/dbraw/zinc/99/61/26/1092996126.db2.gz KGKLKHIPWPXPIR-UHFFFAOYSA-N -1 1 370.796 4.346 20 0 FIADMM COc1cc(-c2noc([C@@H]3CC34CCCC4)n2)cc(Br)c1[O-] ZINC000521967441 1092999460 /nfs/dbraw/zinc/99/94/60/1092999460.db2.gz QAGDIQXWZFRBRE-JTQLQIEISA-N -1 1 365.227 4.261 20 0 FIADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1c(F)ccc([O-])c1F ZINC000522035662 1093045721 /nfs/dbraw/zinc/04/57/21/1093045721.db2.gz DCNPYAMEUCVKBO-QPUJVOFHSA-N -1 1 358.171 4.263 20 0 FIADMM COc1cc(C(=O)NCC(C)(C)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000443340095 1093063808 /nfs/dbraw/zinc/06/38/08/1093063808.db2.gz IJSXIZCUODXUGP-UHFFFAOYSA-N -1 1 368.260 4.415 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1 ZINC000443406680 1093108136 /nfs/dbraw/zinc/10/81/36/1093108136.db2.gz NMMJWRNDRDOQHE-UHFFFAOYSA-N -1 1 374.487 4.318 20 0 FIADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000443426883 1093122680 /nfs/dbraw/zinc/12/26/80/1093122680.db2.gz LDJGRKHBQJTWND-UHFFFAOYSA-N -1 1 358.385 4.166 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000509623965 1093304251 /nfs/dbraw/zinc/30/42/51/1093304251.db2.gz WGGUXEOICNXIBP-UHFFFAOYSA-N -1 1 369.417 4.166 20 0 FIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433143364 1093328098 /nfs/dbraw/zinc/32/80/98/1093328098.db2.gz HJPQQLZYHDPCMZ-UHFFFAOYSA-N -1 1 373.881 4.058 20 0 FIADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000433167161 1093357321 /nfs/dbraw/zinc/35/73/21/1093357321.db2.gz HXNRYBOXTFRPLK-UHFFFAOYSA-N -1 1 368.739 4.002 20 0 FIADMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429887662 1093426751 /nfs/dbraw/zinc/42/67/51/1093426751.db2.gz DWEADPIMUUOLRY-MRVPVSSYSA-N -1 1 350.189 4.003 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429909377 1093487042 /nfs/dbraw/zinc/48/70/42/1093487042.db2.gz JXEWAXFLLYBTCS-JTQLQIEISA-N -1 1 363.813 4.108 20 0 FIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(-c2c(F)cccc2F)c1 ZINC000536066235 1093669276 /nfs/dbraw/zinc/66/92/76/1093669276.db2.gz AGKYCZUEVGMWQV-UHFFFAOYSA-N -1 1 368.265 4.021 20 0 FIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(O)cc4)nc(=O)c3s2)cc1 ZINC000053852817 1093800613 /nfs/dbraw/zinc/80/06/13/1093800613.db2.gz GLEDGQRUGJJNTD-UHFFFAOYSA-N -1 1 350.399 4.033 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(Cl)c(F)c1Cl ZINC000473504791 1093883056 /nfs/dbraw/zinc/88/30/56/1093883056.db2.gz PTKRGKODRWOLOP-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433614046 1094021468 /nfs/dbraw/zinc/02/14/68/1094021468.db2.gz ZXQPSLVMLLXXBS-CYBMUJFWSA-N -1 1 362.710 4.452 20 0 FIADMM Cc1cc(F)ccc1C[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000664174477 1094096750 /nfs/dbraw/zinc/09/67/50/1094096750.db2.gz OMZIKYBXAWURIY-ZDUSSCGKSA-N -1 1 366.440 4.352 20 0 FIADMM CCCC[C@@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000262701447 1094143525 /nfs/dbraw/zinc/14/35/25/1094143525.db2.gz KUTVUHYQKCMUIV-OAHLLOKOSA-N -1 1 366.255 4.442 20 0 FIADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)c(C)c1 ZINC000473532703 1094234194 /nfs/dbraw/zinc/23/41/94/1094234194.db2.gz MYUYJJJEMCRBQP-OAHLLOKOSA-N -1 1 374.278 4.401 20 0 FIADMM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1[O-] ZINC000116101290 1094397955 /nfs/dbraw/zinc/39/79/55/1094397955.db2.gz VURRNVUXEBXUJC-SANMLTNESA-N -1 1 365.454 4.093 20 0 FIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ncoc1C1CC1 ZINC000501042132 1094449951 /nfs/dbraw/zinc/44/99/51/1094449951.db2.gz CPZYAXYMLBKUDS-UHFFFAOYSA-N -1 1 364.789 4.115 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1F ZINC000501177350 1094545902 /nfs/dbraw/zinc/54/59/02/1094545902.db2.gz JOQYCNBVJVLQGM-ZCFIWIBFSA-N -1 1 372.245 4.373 20 0 FIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000098022731 1094551664 /nfs/dbraw/zinc/55/16/64/1094551664.db2.gz YOLIGWCWHQCOKF-HXUWFJFHSA-N -1 1 369.424 4.054 20 0 FIADMM COc1cc(-c2noc([C@H](C)C3CCC3)n2)cc(Br)c1[O-] ZINC000420493662 1094946819 /nfs/dbraw/zinc/94/68/19/1094946819.db2.gz OISNYSSMPHQWLT-MRVPVSSYSA-N -1 1 353.216 4.117 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cccc([C@H]4CCCOC4)c3)[nH][n-]2)s1 ZINC000501846430 1094962122 /nfs/dbraw/zinc/96/21/22/1094962122.db2.gz LRFRKPMGGQFFPM-INIZCTEOSA-N -1 1 367.474 4.015 20 0 FIADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000502911425 1095939470 /nfs/dbraw/zinc/93/94/70/1095939470.db2.gz HKBWPBVVFXHWHU-LSDHHAIUSA-N -1 1 360.479 4.108 20 0 FIADMM CN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042252434 1095948079 /nfs/dbraw/zinc/94/80/79/1095948079.db2.gz DWOVRNUUXYPICF-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421958455 1096015019 /nfs/dbraw/zinc/01/50/19/1096015019.db2.gz JIUHOGQZUPPJDY-SNVBAGLBSA-N -1 1 372.774 4.398 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](c2ccncc2)C(C)C)c1 ZINC000503855512 1096567319 /nfs/dbraw/zinc/56/73/19/1096567319.db2.gz DSRUYLZPOYOFKG-OAHLLOKOSA-N -1 1 363.255 4.236 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc(Cc2ccccc2F)n1 ZINC000533081814 1098751475 /nfs/dbraw/zinc/75/14/75/1098751475.db2.gz WSADGCYJNMHXBM-UHFFFAOYSA-N -1 1 362.813 4.484 20 0 FIADMM CC(Sc1ccc(C)cc1)=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000515705575 1098849305 /nfs/dbraw/zinc/84/93/05/1098849305.db2.gz OTBKSHYAOYANAV-ZDUSSCGKSA-N -1 1 355.488 4.055 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1 ZINC000436474530 1099048890 /nfs/dbraw/zinc/04/88/90/1099048890.db2.gz DBUOOLBYPLBMDS-UHFFFAOYSA-N -1 1 354.431 4.402 20 0 FIADMM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1ccccc1[O-] ZINC000436489255 1099065669 /nfs/dbraw/zinc/06/56/69/1099065669.db2.gz NBTXFITWLVKTGG-UHFFFAOYSA-N -1 1 363.413 4.240 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCCC[C@@H]3OC)n2)cc(Cl)c1[O-] ZINC000436519806 1099076120 /nfs/dbraw/zinc/07/61/20/1099076120.db2.gz BJZNUABFVPVPAB-YPMHNXCESA-N -1 1 352.818 4.167 20 0 FIADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1)C1CC1 ZINC000436533809 1099088556 /nfs/dbraw/zinc/08/85/56/1099088556.db2.gz VWOLTJGGSYUKCS-UHFFFAOYSA-N -1 1 366.461 4.279 20 0 FIADMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000436515989 1099092308 /nfs/dbraw/zinc/09/23/08/1099092308.db2.gz SUJVCJGNGFGTGA-GOSISDBHSA-N -1 1 351.780 4.204 20 0 FIADMM COCCCOc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436549845 1099095415 /nfs/dbraw/zinc/09/54/15/1099095415.db2.gz QXNMXHATLZTIAJ-UHFFFAOYSA-N -1 1 351.402 4.213 20 0 FIADMM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436551499 1099098586 /nfs/dbraw/zinc/09/85/86/1099098586.db2.gz ZVEQWFKFLKOCSG-APPDUMDISA-N -1 1 366.244 4.301 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c([O-])c1 ZINC000436559202 1099113883 /nfs/dbraw/zinc/11/38/83/1099113883.db2.gz ZCFWUNWBHIPLCB-UHFFFAOYSA-N -1 1 372.852 4.314 20 0 FIADMM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000436560865 1099115410 /nfs/dbraw/zinc/11/54/10/1099115410.db2.gz FYFGKYKKYBXBAP-ZDUSSCGKSA-N -1 1 352.337 4.035 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000436565740 1099116655 /nfs/dbraw/zinc/11/66/55/1099116655.db2.gz UTVOCJZPLXYDNX-IBGZPJMESA-N -1 1 365.408 4.289 20 0 FIADMM COc1ccccc1C1(c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)CC1 ZINC000436568371 1099119883 /nfs/dbraw/zinc/11/98/83/1099119883.db2.gz XBJILZNPOFMSGS-UHFFFAOYSA-N -1 1 372.808 4.193 20 0 FIADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)CO1 ZINC000436591069 1099125581 /nfs/dbraw/zinc/12/55/81/1099125581.db2.gz VGULGMXQZXEEQH-IERDGZPVSA-N -1 1 361.441 4.456 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(CCCO)Cc1cccc(Cl)c1 ZINC000436605007 1099140459 /nfs/dbraw/zinc/14/04/59/1099140459.db2.gz PECDLXBWEDUCGV-UHFFFAOYSA-N -1 1 369.848 4.224 20 0 FIADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436606641 1099141990 /nfs/dbraw/zinc/14/19/90/1099141990.db2.gz HUBGAHXLGAPFAO-UHFFFAOYSA-N -1 1 355.821 4.350 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(CCCO)Cc1cccc(Cl)c1 ZINC000436609220 1099144424 /nfs/dbraw/zinc/14/44/24/1099144424.db2.gz VRMPNRAENMFVCN-UHFFFAOYSA-N -1 1 369.848 4.224 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccc(Cl)cc1 ZINC000436631782 1099160344 /nfs/dbraw/zinc/16/03/44/1099160344.db2.gz WWGZBBUOLODLML-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM COc1cc(F)c([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])cc1OC ZINC000436646420 1099189138 /nfs/dbraw/zinc/18/91/38/1099189138.db2.gz GAJXJRQWUPVAIP-GFCCVEGCSA-N -1 1 369.392 4.193 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(c2c(F)cccc2F)CC1 ZINC000436681059 1099214046 /nfs/dbraw/zinc/21/40/46/1099214046.db2.gz QBYISCHHTDRADL-UHFFFAOYSA-N -1 1 351.780 4.344 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(CCc1ccccc1)Cc1ccncc1 ZINC000436700157 1099232553 /nfs/dbraw/zinc/23/25/53/1099232553.db2.gz XWQKHEJSOHBCNF-UHFFFAOYSA-N -1 1 366.848 4.326 20 0 FIADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000436714787 1099245823 /nfs/dbraw/zinc/24/58/23/1099245823.db2.gz VDUAZDYXOOVNIY-OCCSQVGLSA-N -1 1 360.251 4.173 20 0 FIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])c(OC)c1 ZINC000436723801 1099255678 /nfs/dbraw/zinc/25/56/78/1099255678.db2.gz WEQFFDUCWGRLAY-INIZCTEOSA-N -1 1 361.825 4.040 20 0 FIADMM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436759480 1099275330 /nfs/dbraw/zinc/27/53/30/1099275330.db2.gz YGDSIZGQTYEMBD-UHFFFAOYSA-N -1 1 363.417 4.328 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](c2ccccc2)CO1 ZINC000436750066 1099282513 /nfs/dbraw/zinc/28/25/13/1099282513.db2.gz DXBRRSFQZHECME-WBMJQRKESA-N -1 1 365.351 4.013 20 0 FIADMM COc1ccc([C@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C(C)C)cc1 ZINC000436750969 1099285278 /nfs/dbraw/zinc/28/52/78/1099285278.db2.gz PYTNDHOTNRDXRT-QGZVFWFLSA-N -1 1 363.841 4.190 20 0 FIADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436751311 1099286808 /nfs/dbraw/zinc/28/68/08/1099286808.db2.gz KFYRHJLMMBQEHG-UHFFFAOYSA-N -1 1 366.339 4.320 20 0 FIADMM O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436755783 1099292395 /nfs/dbraw/zinc/29/23/95/1099292395.db2.gz NUDSZOCGJZRWRW-UHFFFAOYSA-N -1 1 365.364 4.428 20 0 FIADMM COc1cccc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436765186 1099304779 /nfs/dbraw/zinc/30/47/79/1099304779.db2.gz VXAVXQHKECMXRV-MRXNPFEDSA-N -1 1 365.351 4.397 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccccc1F)C1CC1 ZINC000436768696 1099309998 /nfs/dbraw/zinc/30/99/98/1099309998.db2.gz XRUGVMYHWVRKOU-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM O=S(=O)([N-][C@H]1CCCc2c(F)cc(F)cc21)c1sccc1Cl ZINC001211999082 1099312950 /nfs/dbraw/zinc/31/29/50/1099312950.db2.gz WWSCWJXGGTWYQK-ZDUSSCGKSA-N -1 1 363.838 4.036 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)c([O-])c1 ZINC000436788828 1099320328 /nfs/dbraw/zinc/32/03/28/1099320328.db2.gz BGCGHSWZKVQVMY-UHFFFAOYSA-N -1 1 365.433 4.080 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCCC(C)C)cc2)c1 ZINC000436793061 1099324418 /nfs/dbraw/zinc/32/44/18/1099324418.db2.gz YQDXVXSAMNXWSY-UHFFFAOYSA-N -1 1 356.422 4.028 20 0 FIADMM CC[C@@H](c1nnc(NC(=O)c2ccc(OC)cc2[O-])s1)c1ccccc1 ZINC000436816692 1099328194 /nfs/dbraw/zinc/32/81/94/1099328194.db2.gz UIXKPNDALVPJNQ-CQSZACIVSA-N -1 1 369.446 4.047 20 0 FIADMM O=C(C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000436805482 1099334057 /nfs/dbraw/zinc/33/40/57/1099334057.db2.gz DDQQKECPNCXPSP-UHFFFAOYSA-N -1 1 363.335 4.037 20 0 FIADMM O=C(Nc1ccc(-c2cncnc2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436811074 1099335517 /nfs/dbraw/zinc/33/55/17/1099335517.db2.gz ZHJYBOUJLRUGPE-UHFFFAOYSA-N -1 1 359.307 4.120 20 0 FIADMM Cc1c(NC(=O)c2cc(Br)ccc2[O-])cccc1-c1ncco1 ZINC000436827547 1099340463 /nfs/dbraw/zinc/34/04/63/1099340463.db2.gz SYZBBFQDWPFLMK-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(N2CCCC2=O)c1 ZINC000436842878 1099361619 /nfs/dbraw/zinc/36/16/19/1099361619.db2.gz XYIGNXZDJUHZBM-HNNXBMFYSA-N -1 1 374.440 4.163 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCCC2(CCCCC2)C1 ZINC000436863769 1099373339 /nfs/dbraw/zinc/37/33/39/1099373339.db2.gz LMXVZLSOFKSAOQ-UHFFFAOYSA-N -1 1 352.272 4.341 20 0 FIADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436865286 1099374637 /nfs/dbraw/zinc/37/46/37/1099374637.db2.gz QWQAKFXDOCJABT-LLVKDONJSA-N -1 1 355.278 4.214 20 0 FIADMM CCOc1cc(-c2noc([C@H]3C[C@@H]3C(C)C)n2)cc(Br)c1[O-] ZINC000436868652 1099380558 /nfs/dbraw/zinc/38/05/58/1099380558.db2.gz BFCINQVDSQVGTA-MNOVXSKESA-N -1 1 367.243 4.363 20 0 FIADMM CN(C(=O)C1CC1)c1ccccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436870003 1099380664 /nfs/dbraw/zinc/38/06/64/1099380664.db2.gz GCZQPDYFTCPHBL-UHFFFAOYSA-N -1 1 369.808 4.135 20 0 FIADMM Cn1ncc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1-c1ccccc1 ZINC000436871247 1099381084 /nfs/dbraw/zinc/38/10/84/1099381084.db2.gz JMVVOXPRYPRUAW-UHFFFAOYSA-N -1 1 352.781 4.163 20 0 FIADMM CCCc1noc2nc(CC)cc(-c3nc(-c4ccc([O-])cc4F)no3)c12 ZINC000436869506 1099381732 /nfs/dbraw/zinc/38/17/32/1099381732.db2.gz AWXONYUEISFHGF-UHFFFAOYSA-N -1 1 368.368 4.299 20 0 FIADMM Cc1nn(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1-c1ccccc1 ZINC000436872258 1099382863 /nfs/dbraw/zinc/38/28/63/1099382863.db2.gz LXVOXYHJPVGVTF-UHFFFAOYSA-N -1 1 366.808 4.316 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1cccs1)C[C@H]1CCCO1 ZINC000436873184 1099384209 /nfs/dbraw/zinc/38/42/09/1099384209.db2.gz VKYALIYIQPHAKI-MRXNPFEDSA-N -1 1 367.470 4.428 20 0 FIADMM Cc1csc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1Br ZINC000436875219 1099385971 /nfs/dbraw/zinc/38/59/71/1099385971.db2.gz TVUDLUQFCOVATK-UHFFFAOYSA-N -1 1 355.188 4.381 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)c(F)c1 ZINC000436873489 1099386594 /nfs/dbraw/zinc/38/65/94/1099386594.db2.gz MWHJRYVLOHXBRM-WDEREUQCSA-N -1 1 350.271 4.270 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3c(Cl)cccc3Cl)no2)c1 ZINC000436895238 1099391518 /nfs/dbraw/zinc/39/15/18/1099391518.db2.gz WCATXONWBBXSSG-UHFFFAOYSA-N -1 1 364.188 4.374 20 0 FIADMM CCOc1cc(-c2noc(-c3nc(C)sc3C)n2)cc(Cl)c1[O-] ZINC000436878922 1099393770 /nfs/dbraw/zinc/39/37/70/1099393770.db2.gz VSKSUFMAMDHRJQ-UHFFFAOYSA-N -1 1 351.815 4.235 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3scnc3C)n2)cc(Cl)c1[O-] ZINC000436877346 1099394253 /nfs/dbraw/zinc/39/42/53/1099394253.db2.gz OFSIPUNAUWWMSC-PLNGDYQASA-N -1 1 363.826 4.430 20 0 FIADMM Cc1c(Br)scc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436879411 1099397331 /nfs/dbraw/zinc/39/73/31/1099397331.db2.gz NGCMUBUMEJJXKQ-UHFFFAOYSA-N -1 1 355.188 4.381 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(Cc4ccccc4F)s3)n2)c(F)c1 ZINC000436881793 1099398763 /nfs/dbraw/zinc/39/87/63/1099398763.db2.gz YINBNBKCXLQSER-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3ccc(C(C)(C)C)cc3)no2)c1 ZINC000436890858 1099408007 /nfs/dbraw/zinc/40/80/07/1099408007.db2.gz DHTWKCFTMSSKPN-UHFFFAOYSA-N -1 1 365.433 4.289 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2c(Br)cccc2C1 ZINC000436903484 1099413131 /nfs/dbraw/zinc/41/31/31/1099413131.db2.gz HZBPZVHFNBEFRI-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM CCc1sc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1C ZINC000436910271 1099418494 /nfs/dbraw/zinc/41/84/94/1099418494.db2.gz CCAZEZRODVPBAJ-UHFFFAOYSA-N -1 1 362.842 4.015 20 0 FIADMM CCc1sc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1C ZINC000436910271 1099418498 /nfs/dbraw/zinc/41/84/98/1099418498.db2.gz CCAZEZRODVPBAJ-UHFFFAOYSA-N -1 1 362.842 4.015 20 0 FIADMM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1Cl ZINC000436915019 1099431317 /nfs/dbraw/zinc/43/13/17/1099431317.db2.gz MNWLOYJGAMPBNZ-UHFFFAOYSA-N -1 1 363.204 4.045 20 0 FIADMM Cc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1Cl ZINC000436915019 1099431323 /nfs/dbraw/zinc/43/13/23/1099431323.db2.gz MNWLOYJGAMPBNZ-UHFFFAOYSA-N -1 1 363.204 4.045 20 0 FIADMM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Cl)cc1[O-] ZINC000436922475 1099436994 /nfs/dbraw/zinc/43/69/94/1099436994.db2.gz YHHIQBUWPWJLPZ-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM O=C(C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccc([O-])cc1 ZINC000436934787 1099448089 /nfs/dbraw/zinc/44/80/89/1099448089.db2.gz UFQMBEHFOJOHFO-UHFFFAOYSA-N -1 1 364.228 4.073 20 0 FIADMM O=C(C(=O)N1CC=C(c2cccc3ccccc32)CC1)c1ccc([O-])cc1 ZINC000436962560 1099462792 /nfs/dbraw/zinc/46/27/92/1099462792.db2.gz XMOGWWABKMCTLB-UHFFFAOYSA-N -1 1 357.409 4.044 20 0 FIADMM CCOc1cc(-c2noc([C@H](C)C3CC3)n2)cc(Br)c1[O-] ZINC000436953807 1099471619 /nfs/dbraw/zinc/47/16/19/1099471619.db2.gz BRCCAZHANYCVHR-MRVPVSSYSA-N -1 1 353.216 4.117 20 0 FIADMM COc1cccc2c1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436988573 1099493072 /nfs/dbraw/zinc/49/30/72/1099493072.db2.gz KQDNWIZVAONZDJ-UHFFFAOYSA-N -1 1 351.324 4.013 20 0 FIADMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC(OCC2CC2)CC1 ZINC000516481967 1099527797 /nfs/dbraw/zinc/52/77/97/1099527797.db2.gz WQQQRTGCWLKXHN-MRXNPFEDSA-N -1 1 358.265 4.010 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000437327751 1099807498 /nfs/dbraw/zinc/80/74/98/1099807498.db2.gz AAXCPVUJDDCKJD-UHFFFAOYSA-N -1 1 358.507 4.385 20 0 FIADMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000080076287 1099926713 /nfs/dbraw/zinc/92/67/13/1099926713.db2.gz YGQVQQFJAMXVTI-OAHLLOKOSA-N -1 1 350.532 4.027 20 0 FIADMM Cc1[nH]c(=O)c(C(=O)Nc2ccc([O-])c(Cl)c2)cc1-c1ccccc1 ZINC000517021477 1099990144 /nfs/dbraw/zinc/99/01/44/1099990144.db2.gz DXEVUKUPUPXCIL-UHFFFAOYSA-N -1 1 354.793 4.374 20 0 FIADMM CC(C)(c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)c1ccccc1 ZINC000517261657 1100223017 /nfs/dbraw/zinc/22/30/17/1100223017.db2.gz AAGXUFXNJRZRGT-UHFFFAOYSA-N -1 1 358.401 4.017 20 0 FIADMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000517750254 1100635601 /nfs/dbraw/zinc/63/56/01/1100635601.db2.gz ACGKZGNALCYILU-KRWDZBQOSA-N -1 1 350.871 4.150 20 0 FIADMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000517750254 1100635609 /nfs/dbraw/zinc/63/56/09/1100635609.db2.gz ACGKZGNALCYILU-KRWDZBQOSA-N -1 1 350.871 4.150 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)ccc1F ZINC000517934211 1100816310 /nfs/dbraw/zinc/81/63/10/1100816310.db2.gz NLXZIIYXXACPOU-UHFFFAOYSA-N -1 1 369.417 4.166 20 0 FIADMM COc1ccc(-c2csc3[n-]c(-c4cncs4)nc(=O)c23)cc1OC ZINC000426121609 1100881866 /nfs/dbraw/zinc/88/18/66/1100881866.db2.gz CFDSYBLLGITZDD-UHFFFAOYSA-N -1 1 371.443 4.205 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438724948 1100885791 /nfs/dbraw/zinc/88/57/91/1100885791.db2.gz NITVEFBVRBBWJZ-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1cccc2ncccc21 ZINC000438776310 1100912217 /nfs/dbraw/zinc/91/22/17/1100912217.db2.gz ZIYGTTUVICDYST-UHFFFAOYSA-N -1 1 366.364 4.140 20 0 FIADMM CSc1ccc(Cl)cc1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000509591012 1100987928 /nfs/dbraw/zinc/98/79/28/1100987928.db2.gz HOTRIIPCRRARGR-UHFFFAOYSA-N -1 1 352.843 4.196 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1 ZINC000509592839 1100989072 /nfs/dbraw/zinc/98/90/72/1100989072.db2.gz BFVKVXSPBRLASK-UHFFFAOYSA-N -1 1 373.478 4.207 20 0 FIADMM CC(C)(C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)no1 ZINC000439068645 1101134675 /nfs/dbraw/zinc/13/46/75/1101134675.db2.gz XALLMSMWZPGWHF-UHFFFAOYSA-N -1 1 361.405 4.163 20 0 FIADMM O=C([O-])c1ccc(-c2nc(CN3CCS[C@H]4CCCC[C@H]43)cs2)cc1 ZINC000518386214 1101138009 /nfs/dbraw/zinc/13/80/09/1101138009.db2.gz GORFRVVOCQZSKQ-SJORKVTESA-N -1 1 374.531 4.368 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000174241049 1101385362 /nfs/dbraw/zinc/38/53/62/1101385362.db2.gz IJDGGGBBYUTYQO-UHFFFAOYSA-N -1 1 370.522 4.099 20 0 FIADMM CC(C)C(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000439416685 1101415446 /nfs/dbraw/zinc/41/54/46/1101415446.db2.gz SIEJOVGJCHATAJ-UHFFFAOYSA-N -1 1 360.479 4.108 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1csc(-c2ccccc2F)n1 ZINC000518781189 1101547516 /nfs/dbraw/zinc/54/75/16/1101547516.db2.gz SWHHJLWRDLYBAL-UHFFFAOYSA-N -1 1 370.434 4.075 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc4c[nH]nc43)n2)cc(Cl)c1[O-] ZINC000445425721 1101607824 /nfs/dbraw/zinc/60/78/24/1101607824.db2.gz FXDTXAXMMOYYEU-UHFFFAOYSA-N -1 1 356.769 4.038 20 0 FIADMM COc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)cc(Cl)c1[O-] ZINC000460126063 1101619119 /nfs/dbraw/zinc/61/91/19/1101619119.db2.gz UKANSXYPGGSELT-MRXNPFEDSA-N -1 1 365.832 4.190 20 0 FIADMM O=C(/C=C/c1cc(Br)ccc1F)Nc1c([O-])cccc1F ZINC000760196773 1101623905 /nfs/dbraw/zinc/62/39/05/1101623905.db2.gz VGFBLAIXOVFOFB-QPJJXVBHSA-N -1 1 354.150 4.085 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000460131597 1101625873 /nfs/dbraw/zinc/62/58/73/1101625873.db2.gz PIQZEBAMXJTXOF-PIGZYNQJSA-N -1 1 363.816 4.417 20 0 FIADMM CCCCc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000055315664 1101636427 /nfs/dbraw/zinc/63/64/27/1101636427.db2.gz RJMKUKYNFRZMSD-UHFFFAOYSA-N -1 1 365.473 4.470 20 0 FIADMM COc1cc(C(=O)NCCc2ccccc2C(F)(F)F)cc(Cl)c1[O-] ZINC000460187182 1101712202 /nfs/dbraw/zinc/71/22/02/1101712202.db2.gz RMYJZDLPMBQBBY-UHFFFAOYSA-N -1 1 373.758 4.046 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)[nH]nc1C1CC1 ZINC000760319197 1101908122 /nfs/dbraw/zinc/90/81/22/1101908122.db2.gz GOSWDKLVAQVBCN-UHFFFAOYSA-N -1 1 353.447 4.063 20 0 FIADMM CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000263145297 1101943338 /nfs/dbraw/zinc/94/33/38/1101943338.db2.gz OSPQEUAKCWRFHA-INIZCTEOSA-N -1 1 358.507 4.449 20 0 FIADMM CCc1ccc(-c2nc(CN3CCC[C@@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000263145297 1101943342 /nfs/dbraw/zinc/94/33/42/1101943342.db2.gz OSPQEUAKCWRFHA-INIZCTEOSA-N -1 1 358.507 4.449 20 0 FIADMM Cc1ccc(N2C[C@H](C(=O)Nc3ccc([O-])c(Cl)c3)CCC2=O)cc1C ZINC000760383185 1101944883 /nfs/dbraw/zinc/94/48/83/1101944883.db2.gz VXHKKZLSCOFZOO-CQSZACIVSA-N -1 1 372.852 4.044 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(F)cc3Br)n2)cc1F ZINC000445472044 1102023801 /nfs/dbraw/zinc/02/38/01/1102023801.db2.gz JGKIGTZEPOOLNF-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM CC(C)CC1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC001301265484 1102075487 /nfs/dbraw/zinc/07/54/87/1102075487.db2.gz GLWOXOGLOCSWDT-UHFFFAOYSA-N -1 1 363.255 4.011 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000897698458 1102095849 /nfs/dbraw/zinc/09/58/49/1102095849.db2.gz ZVZWPBDHKUIYSY-UHFFFAOYSA-N -1 1 353.340 4.056 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c(F)cc1F ZINC000440279420 1102165686 /nfs/dbraw/zinc/16/56/86/1102165686.db2.gz GLJXMRXXBKVRLY-UHFFFAOYSA-N -1 1 369.286 4.232 20 0 FIADMM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cc(Cl)c(Cl)cn1 ZINC000506823308 1102218501 /nfs/dbraw/zinc/21/85/01/1102218501.db2.gz WVHZYJNVPNBOII-UHFFFAOYSA-N -1 1 365.669 4.026 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000032879281 1102413566 /nfs/dbraw/zinc/41/35/66/1102413566.db2.gz OYXYKYCHYVCEGC-JTQLQIEISA-N -1 1 364.421 4.321 20 0 FIADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897438071 1102429885 /nfs/dbraw/zinc/42/98/85/1102429885.db2.gz VZILODDBCVYLBF-ZUZCIYMTSA-N -1 1 353.340 4.054 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000473659721 1102430821 /nfs/dbraw/zinc/43/08/21/1102430821.db2.gz LSXDXSUCNALECB-VHSXEESVSA-N -1 1 373.325 4.084 20 0 FIADMM CCC1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000532551197 1102465517 /nfs/dbraw/zinc/46/55/17/1102465517.db2.gz FJGWVGJOCMGRDV-UHFFFAOYSA-N -1 1 371.481 4.413 20 0 FIADMM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1[O-] ZINC000532620914 1102595709 /nfs/dbraw/zinc/59/57/09/1102595709.db2.gz DYABPZLMDOTMTN-UHFFFAOYSA-N -1 1 360.772 4.411 20 0 FIADMM CC[C@@H](C)n1ncc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1C1CC1 ZINC000536525045 1102654977 /nfs/dbraw/zinc/65/49/77/1102654977.db2.gz BYBBCZXFUJWODB-LLVKDONJSA-N -1 1 371.485 4.085 20 0 FIADMM O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000101682377 1102658050 /nfs/dbraw/zinc/65/80/50/1102658050.db2.gz XDPFYNWYSMXJJF-UHFFFAOYSA-N -1 1 362.429 4.389 20 0 FIADMM COc1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc(Cl)c1[O-] ZINC000476660793 1102677861 /nfs/dbraw/zinc/67/78/61/1102677861.db2.gz USKXWDCCXCSGHJ-UHFFFAOYSA-N -1 1 356.205 4.277 20 0 FIADMM O=C(Nc1ccc2c(c1)CCC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043390781 1102679284 /nfs/dbraw/zinc/67/92/84/1102679284.db2.gz PVPYZBVTUGZCRP-UHFFFAOYSA-N -1 1 364.445 4.008 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000614829229 1102795207 /nfs/dbraw/zinc/79/52/07/1102795207.db2.gz KSHMPQUBNZHHMA-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)CCOC4)n2)cc(Cl)c1[O-] ZINC000664847719 1102915643 /nfs/dbraw/zinc/91/56/43/1102915643.db2.gz ZRNRBWGUHCWWGP-UHFFFAOYSA-N -1 1 372.808 4.234 20 0 FIADMM Cc1nc(CNCc2ccc(-c3ccc(F)cc3)s2)sc1C(=O)[O-] ZINC000426684422 1102919828 /nfs/dbraw/zinc/91/98/28/1102919828.db2.gz ZNITVMPRQLZZOT-UHFFFAOYSA-N -1 1 362.451 4.307 20 0 FIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2cccc(Cl)c2F)cc1 ZINC000426719425 1102939762 /nfs/dbraw/zinc/93/97/62/1102939762.db2.gz GMOLFWGXGZEFAG-INIZCTEOSA-N -1 1 351.805 4.183 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1cc(Cl)ccc1Br ZINC000426708525 1102945404 /nfs/dbraw/zinc/94/54/04/1102945404.db2.gz KNRPMNCTBWWSQO-UHFFFAOYSA-N -1 1 368.658 4.019 20 0 FIADMM Cc1cc(C)cc([C@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000426747324 1102966086 /nfs/dbraw/zinc/96/60/86/1102966086.db2.gz OLFNRRUJFQBBFT-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1Br)c1ccccc1 ZINC000426749718 1102966933 /nfs/dbraw/zinc/96/69/33/1102966933.db2.gz HZKKJSCLSHVRIT-BDJLRTHQSA-N -1 1 366.230 4.140 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1sccc1Br)c1ccccc1 ZINC000426753134 1102968567 /nfs/dbraw/zinc/96/85/67/1102968567.db2.gz HCSDLDSGZLTXRS-YGRLFVJLSA-N -1 1 354.269 4.062 20 0 FIADMM CC(C)n1cc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000426753990 1102969174 /nfs/dbraw/zinc/96/91/74/1102969174.db2.gz MSPQGMSJRTXUSD-HNNXBMFYSA-N -1 1 356.253 4.076 20 0 FIADMM COc1cccc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000426769744 1102976375 /nfs/dbraw/zinc/97/63/75/1102976375.db2.gz LOZJLKYZZLMKKZ-OAHLLOKOSA-N -1 1 369.248 4.093 20 0 FIADMM Cc1ccc2cc(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3F)ccc2n1 ZINC000426807917 1102989259 /nfs/dbraw/zinc/98/92/59/1102989259.db2.gz JXYLDHPXMNQCFX-IBGZPJMESA-N -1 1 356.372 4.127 20 0 FIADMM CC(C)(C)c1ncc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426791578 1102993792 /nfs/dbraw/zinc/99/37/92/1102993792.db2.gz IVBSJGLLMGEJSY-CQSZACIVSA-N -1 1 352.887 4.400 20 0 FIADMM O=C([O-])[C@@H](NCc1cccc(OCc2ccccc2)c1)c1ccccc1F ZINC000426805123 1103002033 /nfs/dbraw/zinc/00/20/33/1103002033.db2.gz ZBZPXHJDEZJWGE-NRFANRHFSA-N -1 1 365.404 4.320 20 0 FIADMM Cc1ccc(F)c(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426814082 1103008417 /nfs/dbraw/zinc/00/84/17/1103008417.db2.gz CFROQVLPFMTQCG-MRXNPFEDSA-N -1 1 366.230 4.202 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(-c2cccnc2)c1)c1ccc(F)cc1F ZINC000426828391 1103029556 /nfs/dbraw/zinc/02/95/56/1103029556.db2.gz VOYRPDIUEOKJLV-FQEVSTJZSA-N -1 1 368.383 4.332 20 0 FIADMM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)s1 ZINC000477111865 1103133844 /nfs/dbraw/zinc/13/38/44/1103133844.db2.gz ZBXQMZNPDMOCQG-UHFFFAOYSA-N -1 1 365.361 4.006 20 0 FIADMM O=S(=O)([N-]CCc1cc2ccccc2s1)c1cc2ccccc2o1 ZINC001211977289 1103183303 /nfs/dbraw/zinc/18/33/03/1103183303.db2.gz XWQVVSYNWBAIOE-UHFFFAOYSA-N -1 1 357.456 4.169 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3coc(-c4cccs4)n3)n2)c(Cl)c1 ZINC000445450335 1103251635 /nfs/dbraw/zinc/25/16/35/1103251635.db2.gz RZVJZQNNYLUUSX-UHFFFAOYSA-N -1 1 359.794 4.403 20 0 FIADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000532881131 1103303002 /nfs/dbraw/zinc/30/30/02/1103303002.db2.gz IOYBWQALJASNKS-AWEZNQCLSA-N -1 1 364.898 4.074 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)cc2s1 ZINC000427198556 1103344077 /nfs/dbraw/zinc/34/40/77/1103344077.db2.gz UVGQHGXSDLDDKY-UHFFFAOYSA-N -1 1 354.403 4.343 20 0 FIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)on1 ZINC000473857267 1103354633 /nfs/dbraw/zinc/35/46/33/1103354633.db2.gz XIQCEDSAQYUDQN-UHFFFAOYSA-N -1 1 362.904 4.080 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1Cl ZINC000427301666 1103425679 /nfs/dbraw/zinc/42/56/79/1103425679.db2.gz YAZCBIPWUHTUCY-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc3ncsc3c2)cccc1-c1ncco1 ZINC000427307738 1103433141 /nfs/dbraw/zinc/43/31/41/1103433141.db2.gz JNUPPXZTBLCNED-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000507504315 1103445828 /nfs/dbraw/zinc/44/58/28/1103445828.db2.gz IULJDNPPSLDPHI-WDEREUQCSA-N -1 1 366.346 4.004 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1C ZINC000427330732 1103451895 /nfs/dbraw/zinc/45/18/95/1103451895.db2.gz WEKHGPSGPQGUHG-UHFFFAOYSA-N -1 1 362.476 4.031 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000477417162 1103493798 /nfs/dbraw/zinc/49/37/98/1103493798.db2.gz GQYNAGWKKXJQEU-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM COc1ccccc1C1(c2noc(-c3cc(SC)ccc3[O-])n2)CC1 ZINC000664889696 1103690061 /nfs/dbraw/zinc/69/00/61/1103690061.db2.gz AENORNWSICEOFP-UHFFFAOYSA-N -1 1 354.431 4.253 20 0 FIADMM CC(C)Cn1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000417564749 1104982815 /nfs/dbraw/zinc/98/28/15/1104982815.db2.gz PBCPESTVDBATDD-MRXNPFEDSA-N -1 1 370.280 4.152 20 0 FIADMM O=C([O-])[C@@H](CC1CC1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000417627271 1105026778 /nfs/dbraw/zinc/02/67/78/1105026778.db2.gz SFYDWASVWIOVGR-OAHLLOKOSA-N -1 1 364.239 4.052 20 0 FIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000579537878 1105069071 /nfs/dbraw/zinc/06/90/71/1105069071.db2.gz IYACONWBSQXUGK-UHFFFAOYSA-N -1 1 361.511 4.195 20 0 FIADMM O=C1c2ccccc2N[C@H](c2ccc([O-])c(Cl)c2)N1CC(F)(F)F ZINC000067438715 1105099468 /nfs/dbraw/zinc/09/94/68/1105099468.db2.gz ADKBPWYOTRNMKA-AWEZNQCLSA-N -1 1 356.731 4.174 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)c1 ZINC000520700705 1105124093 /nfs/dbraw/zinc/12/40/93/1105124093.db2.gz DQHVOCOJFDWPAC-UHFFFAOYSA-N -1 1 374.487 4.423 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780394594 1105233459 /nfs/dbraw/zinc/23/34/59/1105233459.db2.gz HXSNWJCRQUDJKJ-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000508100341 1105324608 /nfs/dbraw/zinc/32/46/08/1105324608.db2.gz KRTHFYPHXKMGLV-XAVKZTDYSA-N -1 1 372.262 4.473 20 0 FIADMM Cc1cc(OCCN2CCc3c(F)ccc(C(=O)[O-])c3C2)ccc1C(C)C ZINC000530168063 1106873375 /nfs/dbraw/zinc/87/33/75/1106873375.db2.gz KAKNYHIRWNMDIR-UHFFFAOYSA-N -1 1 371.452 4.393 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000530320233 1106963739 /nfs/dbraw/zinc/96/37/39/1106963739.db2.gz IEBDLWFBHJNHTO-CYBMUJFWSA-N -1 1 363.816 4.213 20 0 FIADMM C/C=C/c1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(OC)c1 ZINC000301332814 1106995604 /nfs/dbraw/zinc/99/56/04/1106995604.db2.gz FHGWJGIDGCHMAY-XVNBXDOJSA-N -1 1 374.400 4.355 20 0 FIADMM CCCOc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301364522 1107004452 /nfs/dbraw/zinc/00/44/52/1107004452.db2.gz NBDKCJJVNZKJIP-UHFFFAOYSA-N -1 1 364.449 4.262 20 0 FIADMM O=c1[n-]c(Oc2cccc(C(F)(F)F)c2)nc2c1cnn2-c1ccccc1 ZINC000301365558 1107005146 /nfs/dbraw/zinc/00/51/46/1107005146.db2.gz SFAHLSBWPPPMRF-UHFFFAOYSA-N -1 1 372.306 4.332 20 0 FIADMM CCc1nc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cs1 ZINC000301395047 1107016998 /nfs/dbraw/zinc/01/69/98/1107016998.db2.gz LCYVVZPDLXLMPX-GFCCVEGCSA-N -1 1 355.467 4.053 20 0 FIADMM Cc1nc(-c2ccc(NC[C@H](C)Sc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301473373 1107042107 /nfs/dbraw/zinc/04/21/07/1107042107.db2.gz QZDRFHCKEWISQY-ZDUSSCGKSA-N -1 1 366.490 4.454 20 0 FIADMM Cc1nc(-c2ccc(N(C)[C@H](C)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301497901 1107048140 /nfs/dbraw/zinc/04/81/40/1107048140.db2.gz CAXSTYHLAZSBFH-CQSZACIVSA-N -1 1 352.413 4.198 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@H]3Cc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301499484 1107049810 /nfs/dbraw/zinc/04/98/10/1107049810.db2.gz DAESNXUGIZTELY-IBGZPJMESA-N -1 1 360.461 4.073 20 0 FIADMM Cc1nc(-c2ccc(NC[C@@H](c3cccnc3)C(C)C)nc2)[n-]c(=O)c1C ZINC000301538743 1107064045 /nfs/dbraw/zinc/06/40/45/1107064045.db2.gz BJJFVJBBQMZPAF-GOSISDBHSA-N -1 1 363.465 4.108 20 0 FIADMM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1sccc1Cl ZINC000451570407 1107184747 /nfs/dbraw/zinc/18/47/47/1107184747.db2.gz UWAJWKYFYCXZRM-QMMMGPOBSA-N -1 1 354.305 4.082 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CC12CCCC2 ZINC000531092047 1107522632 /nfs/dbraw/zinc/52/26/32/1107522632.db2.gz OFQWULDSDXWCKI-GOSISDBHSA-N -1 1 370.474 4.006 20 0 FIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)c2n1 ZINC000531486713 1107936284 /nfs/dbraw/zinc/93/62/84/1107936284.db2.gz PLLIVOOVHHGZSZ-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CN(C(=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1)c1ccccc1 ZINC000531756062 1108121961 /nfs/dbraw/zinc/12/19/61/1108121961.db2.gz VEVMQEZJVDBGHF-UHFFFAOYSA-N -1 1 364.376 4.060 20 0 FIADMM C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000531762572 1108150738 /nfs/dbraw/zinc/15/07/38/1108150738.db2.gz LVVJWLUBNAKAKG-BDJLRTHQSA-N -1 1 350.340 4.029 20 0 FIADMM CCOc1cc(-c2noc(COCC3CCCC3)n2)cc(Cl)c1[O-] ZINC000453162994 1108233943 /nfs/dbraw/zinc/23/39/43/1108233943.db2.gz LKTUDHANPIQZJM-UHFFFAOYSA-N -1 1 352.818 4.201 20 0 FIADMM COc1cc(-c2noc([C@H]3CC=CCC3)n2)cc(Br)c1[O-] ZINC000445388741 1108705960 /nfs/dbraw/zinc/70/59/60/1108705960.db2.gz DKRUDXQNIGDAOR-VIFPVBQESA-N -1 1 351.200 4.037 20 0 FIADMM COc1cc(-c2noc([C@H](C)C(C)(C)C)n2)cc(Br)c1[O-] ZINC000445389968 1108706465 /nfs/dbraw/zinc/70/64/65/1108706465.db2.gz GCVHEIUTTLUGCC-QMMMGPOBSA-N -1 1 355.232 4.363 20 0 FIADMM CCOc1cc(-c2noc(C3(CCOC)CCCC3)n2)cc(Cl)c1[O-] ZINC000445412921 1108722538 /nfs/dbraw/zinc/72/25/38/1108722538.db2.gz RFIMHWCSNPTGJU-UHFFFAOYSA-N -1 1 366.845 4.343 20 0 FIADMM COc1cc(-c2noc(-c3cc(C)oc3C)n2)cc(Br)c1[O-] ZINC000445397149 1108725919 /nfs/dbraw/zinc/72/59/19/1108725919.db2.gz DOBHCAGDKMSVPP-UHFFFAOYSA-N -1 1 365.183 4.090 20 0 FIADMM CCCCO[C@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445397263 1108726544 /nfs/dbraw/zinc/72/65/44/1108726544.db2.gz FZEIFLJYRMTYHA-SECBINFHSA-N -1 1 371.231 4.091 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(F)cc(F)c3)n2)cc(Cl)c1[O-] ZINC000445408253 1108733465 /nfs/dbraw/zinc/73/34/65/1108733465.db2.gz BPZAPNOHIYTCCY-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM CCOc1cc(-c2noc(C3=Cc4ccccc4OC3)n2)cc(Cl)c1[O-] ZINC000445423597 1108736036 /nfs/dbraw/zinc/73/60/36/1108736036.db2.gz XPHUXKXGYIJXFN-UHFFFAOYSA-N -1 1 370.792 4.427 20 0 FIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c(C)c1C ZINC000524019486 1108736780 /nfs/dbraw/zinc/73/67/80/1108736780.db2.gz OXNMNXKFYKACTE-UHFFFAOYSA-N -1 1 371.462 4.080 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3cccc(O)c3)n2)cc(Cl)c1[O-] ZINC000445429949 1108742654 /nfs/dbraw/zinc/74/26/54/1108742654.db2.gz DCTRQHHDYIYJCZ-SREVYHEPSA-N -1 1 358.781 4.370 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000524013941 1108749298 /nfs/dbraw/zinc/74/92/98/1108749298.db2.gz LLUHSNGVDHVHIQ-QMMMGPOBSA-N -1 1 366.216 4.311 20 0 FIADMM CO[C@@H](C)c1nc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000445450627 1108752856 /nfs/dbraw/zinc/75/28/56/1108752856.db2.gz ZKIPDDJPXFEEID-QMMMGPOBSA-N -1 1 351.815 4.235 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3cnn(-c4ccccc4)c3)n2)c(Cl)c1 ZINC000445450761 1108753230 /nfs/dbraw/zinc/75/32/30/1108753230.db2.gz WGGJNOCSKKPGEB-UHFFFAOYSA-N -1 1 366.808 4.067 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2csc(Br)c2)[n-]1 ZINC000524033283 1108763733 /nfs/dbraw/zinc/76/37/33/1108763733.db2.gz NHPXGLNATNSFBD-UHFFFAOYSA-N -1 1 371.203 4.317 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnn(Cc4ccccc4)c3)n2)c(Cl)c1 ZINC000445442665 1108765325 /nfs/dbraw/zinc/76/53/25/1108765325.db2.gz DKLCREWXORQZHP-UHFFFAOYSA-N -1 1 352.781 4.007 20 0 FIADMM COCCCOc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445444098 1108770126 /nfs/dbraw/zinc/77/01/26/1108770126.db2.gz FCJRGERQIXLHGQ-UHFFFAOYSA-N -1 1 360.797 4.178 20 0 FIADMM COC(=O)c1cnc(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000193538319 1108777568 /nfs/dbraw/zinc/77/75/68/1108777568.db2.gz SIZNALPBMUUOIT-SECBINFHSA-N -1 1 363.826 4.358 20 0 FIADMM COC(=O)c1c[n-]c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000193538319 1108777581 /nfs/dbraw/zinc/77/75/81/1108777581.db2.gz SIZNALPBMUUOIT-SECBINFHSA-N -1 1 363.826 4.358 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccnc(OCc4ccccc4)c3)n2)c(F)c1 ZINC000445455784 1108789054 /nfs/dbraw/zinc/78/90/54/1108789054.db2.gz FZZPUFLTTUGQGW-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccccc3C(F)(F)F)n2)c(F)c1 ZINC000445456325 1108789641 /nfs/dbraw/zinc/78/96/41/1108789641.db2.gz UCSSEPDZCBRYLI-UHFFFAOYSA-N -1 1 354.259 4.179 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC(F)F ZINC000445457783 1108791233 /nfs/dbraw/zinc/79/12/33/1108791233.db2.gz ZRLNDNOUMMEIDY-UHFFFAOYSA-N -1 1 368.723 4.373 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(N4CCCCCC4)nc3)n2)c(F)c1 ZINC000445458160 1108792217 /nfs/dbraw/zinc/79/22/17/1108792217.db2.gz WAJNCGFEOCASAN-UHFFFAOYSA-N -1 1 354.385 4.024 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(Br)c(F)c3)n2)cc1F ZINC000445477837 1108797269 /nfs/dbraw/zinc/79/72/69/1108797269.db2.gz DUUODJYHBUZKDL-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cccc(OCC(F)(F)F)c3)n2)cc1F ZINC000445479844 1108799653 /nfs/dbraw/zinc/79/96/53/1108799653.db2.gz KTYXETDWRPIISZ-UHFFFAOYSA-N -1 1 368.286 4.113 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4cccc(F)c4)n3)n2)cc1F ZINC000445480470 1108800790 /nfs/dbraw/zinc/80/07/90/1108800790.db2.gz ZGJNSWFKFAJQLI-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM Cc1oc(-c2ccsc2)nc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482058 1108802233 /nfs/dbraw/zinc/80/22/33/1108802233.db2.gz OPHXYJMAIYHLTP-UHFFFAOYSA-N -1 1 357.366 4.197 20 0 FIADMM Cc1ccc(-c2nc(-c3nc(-c4ccc([O-])c(F)c4)no3)cs2)n1C ZINC000445482567 1108802914 /nfs/dbraw/zinc/80/29/14/1108802914.db2.gz QRBUDGNTUYSAQV-UHFFFAOYSA-N -1 1 356.382 4.019 20 0 FIADMM CC(C)(C)c1ccc(CCCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000524302511 1108958171 /nfs/dbraw/zinc/95/81/71/1108958171.db2.gz BUAMWHFCTKBVGS-UHFFFAOYSA-N -1 1 354.376 4.082 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C(C)(C)C)no3)c2)c1 ZINC000524630941 1109105484 /nfs/dbraw/zinc/10/54/84/1109105484.db2.gz DEROBUWURIYOJG-UHFFFAOYSA-N -1 1 371.462 4.143 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1C(F)(F)F ZINC000524814531 1109163233 /nfs/dbraw/zinc/16/32/33/1109163233.db2.gz WTCITRFLNGWFGK-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1ccc(F)cc1F ZINC000447258846 1109488989 /nfs/dbraw/zinc/48/89/89/1109488989.db2.gz FRMZNKNPDUQURS-UHFFFAOYSA-N -1 1 353.321 4.165 20 0 FIADMM CCC(C)(C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000525948111 1109560791 /nfs/dbraw/zinc/56/07/91/1109560791.db2.gz DCLMYHWPOUBHDL-UHFFFAOYSA-N -1 1 374.506 4.056 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000509660592 1109606347 /nfs/dbraw/zinc/60/63/47/1109606347.db2.gz BYIRBFWNJGGJHU-UHFFFAOYSA-N -1 1 366.442 4.077 20 0 FIADMM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000447792503 1109646200 /nfs/dbraw/zinc/64/62/00/1109646200.db2.gz WDUHFOMNEQBEFA-UHFFFAOYSA-N -1 1 360.435 4.022 20 0 FIADMM CCC(C)(C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000527480406 1109764109 /nfs/dbraw/zinc/76/41/09/1109764109.db2.gz LQNNXTGWJRDKHE-UHFFFAOYSA-N -1 1 374.506 4.056 20 0 FIADMM CC[C@@H](c1nnc([N-]C(=O)c2conc2C(C)C)s1)c1ccccc1 ZINC000528461270 1109996353 /nfs/dbraw/zinc/99/63/53/1109996353.db2.gz OKRCJXPPWBAQSX-CYBMUJFWSA-N -1 1 356.451 4.444 20 0 FIADMM CCOc1cc(C(=O)N[C@H](c2ccccn2)C2CCC2)cc(Cl)c1[O-] ZINC000529825959 1110321248 /nfs/dbraw/zinc/32/12/48/1110321248.db2.gz SUQZJZVQSNRDFR-KRWDZBQOSA-N -1 1 360.841 4.111 20 0 FIADMM Cc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)[n-]c(=O)c1C ZINC000538518113 1111168302 /nfs/dbraw/zinc/16/83/02/1111168302.db2.gz KXHDJYAOZVRCPQ-UHFFFAOYSA-N -1 1 365.458 4.197 20 0 FIADMM CC(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)c(F)c1 ZINC000538509873 1111174844 /nfs/dbraw/zinc/17/48/44/1111174844.db2.gz XVPWAKUBHIGDRG-UHFFFAOYSA-N -1 1 350.271 4.363 20 0 FIADMM CCOc1cccc2cc([C@@H](C)NCc3nc(=O)c4sccc4[n-]3)oc21 ZINC000552497380 1111724524 /nfs/dbraw/zinc/72/45/24/1111724524.db2.gz IVYLQKFXTQATOY-LLVKDONJSA-N -1 1 369.446 4.393 20 0 FIADMM CCOc1cc(C(=O)NCc2ccc(CSC)cc2)cc(Cl)c1[O-] ZINC000553235188 1111934312 /nfs/dbraw/zinc/93/43/12/1111934312.db2.gz LCPWLPYQMBYXSW-UHFFFAOYSA-N -1 1 365.882 4.237 20 0 FIADMM C[C@@]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)(C1CC1)C(F)(F)F ZINC000479147970 1111955718 /nfs/dbraw/zinc/95/57/18/1111955718.db2.gz NBPLCYILZMNFLH-LLVKDONJSA-N -1 1 362.200 4.003 20 0 FIADMM C[C@]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)(C1CC1)C(F)(F)F ZINC000479147971 1111955831 /nfs/dbraw/zinc/95/58/31/1111955831.db2.gz NBPLCYILZMNFLH-NSHDSACASA-N -1 1 362.200 4.003 20 0 FIADMM O=C(c1ncccc1[O-])N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000479463421 1112033467 /nfs/dbraw/zinc/03/34/67/1112033467.db2.gz FNFNMCPWJJTBRF-UHFFFAOYSA-N -1 1 363.244 4.414 20 0 FIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479516820 1112056695 /nfs/dbraw/zinc/05/66/95/1112056695.db2.gz MDAPREDUFICDFJ-UHFFFAOYSA-N -1 1 362.476 4.022 20 0 FIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ncccc3F)cc2)c1 ZINC000480119572 1112290794 /nfs/dbraw/zinc/29/07/94/1112290794.db2.gz FUAFXNJMKSWCKN-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000481343629 1112907115 /nfs/dbraw/zinc/90/71/15/1112907115.db2.gz RDMSHOJQFXDTOH-YUMQZZPRSA-N -1 1 360.353 4.007 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)cc2o1 ZINC000567717480 1112941630 /nfs/dbraw/zinc/94/16/30/1112941630.db2.gz PMJHUQZPZNMVSN-UHFFFAOYSA-N -1 1 374.462 4.362 20 0 FIADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629490146 1113045433 /nfs/dbraw/zinc/04/54/33/1113045433.db2.gz IZZSVSYUHXZMIG-PWSUYJOCSA-N -1 1 369.248 4.191 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1Cl ZINC000481835328 1113099249 /nfs/dbraw/zinc/09/92/49/1113099249.db2.gz BFZBMXYGUUIHTC-UHFFFAOYSA-N -1 1 362.838 4.006 20 0 FIADMM CCOc1cc(-c2noc(-c3scnc3C3CC3)n2)cc(Cl)c1[O-] ZINC000555996456 1113101289 /nfs/dbraw/zinc/10/12/89/1113101289.db2.gz YKEMJOCDCTZFAJ-UHFFFAOYSA-N -1 1 363.826 4.495 20 0 FIADMM CC(C)(C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(F)(F)F ZINC000482162249 1113188018 /nfs/dbraw/zinc/18/80/18/1113188018.db2.gz ZETWNYMPTKIEGE-LLVKDONJSA-N -1 1 368.193 4.252 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000668045887 1113252913 /nfs/dbraw/zinc/25/29/13/1113252913.db2.gz FGKOQHCJOQBWGU-LBPRGKRZSA-N -1 1 353.466 4.157 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccnc3ccccc32)c1 ZINC000482539497 1113290933 /nfs/dbraw/zinc/29/09/33/1113290933.db2.gz WLNPZVYAZSTKRJ-UHFFFAOYSA-N -1 1 357.207 4.264 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000482609349 1113308461 /nfs/dbraw/zinc/30/84/61/1113308461.db2.gz SXXKDJQPTKJGMJ-UHFFFAOYSA-N -1 1 372.165 4.317 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CNc2c(C)cccc2C)c1 ZINC000482601536 1113309209 /nfs/dbraw/zinc/30/92/09/1113309209.db2.gz JDVMSHRGUMLELT-UHFFFAOYSA-N -1 1 363.255 4.131 20 0 FIADMM CCOc1ccc(CC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482604453 1113310518 /nfs/dbraw/zinc/31/05/18/1113310518.db2.gz NZKGQAWPRDIGGF-UHFFFAOYSA-N -1 1 364.239 4.043 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000482712818 1113338945 /nfs/dbraw/zinc/33/89/45/1113338945.db2.gz UJPJISYUEJDJLC-UHFFFAOYSA-N -1 1 364.214 4.273 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCO[C@@H](C)CC(C)C)c1 ZINC000482726708 1113340827 /nfs/dbraw/zinc/34/08/27/1113340827.db2.gz YYQJDBNLIXOBTQ-LBPRGKRZSA-N -1 1 358.276 4.243 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCc2cccs2)c1 ZINC000482734398 1113344925 /nfs/dbraw/zinc/34/49/25/1113344925.db2.gz INCAPXMCIQVOQB-UHFFFAOYSA-N -1 1 354.269 4.486 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc(Cl)c1[O-] ZINC000171106319 1113415145 /nfs/dbraw/zinc/41/51/45/1113415145.db2.gz GSPVLQXGZKYXOV-JTQLQIEISA-N -1 1 367.804 4.083 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000483065060 1113433985 /nfs/dbraw/zinc/43/39/85/1113433985.db2.gz CDWSFQMFKDZQMT-OAHLLOKOSA-N -1 1 364.214 4.271 20 0 FIADMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000483175132 1113457720 /nfs/dbraw/zinc/45/77/20/1113457720.db2.gz DBQGJZQTCCSKEO-INIZCTEOSA-N -1 1 360.251 4.440 20 0 FIADMM O=c1cc(/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)nc2nc[n-]n21 ZINC000486193276 1113521295 /nfs/dbraw/zinc/52/12/95/1113521295.db2.gz GWVSFOYGFSUHPS-SNAWJCMRSA-N -1 1 373.199 4.155 20 0 FIADMM Cc1ccnc(-c2cccc(NC(=O)Nc3ccc([O-])c(Cl)c3)c2)n1 ZINC000486910331 1113673814 /nfs/dbraw/zinc/67/38/14/1113673814.db2.gz FYCCLCDKKWHZCI-UHFFFAOYSA-N -1 1 354.797 4.455 20 0 FIADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cccc([O-])c1Br ZINC000908706464 1113686797 /nfs/dbraw/zinc/68/67/97/1113686797.db2.gz BRCYCEQVLFDKSD-FZMZJTMJSA-N -1 1 360.198 4.309 20 0 FIADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709788 1113687388 /nfs/dbraw/zinc/68/73/88/1113687388.db2.gz TUKWRGJQCHNTDG-ZJUUUORDSA-N -1 1 352.253 4.267 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000488289029 1113899472 /nfs/dbraw/zinc/89/94/72/1113899472.db2.gz ANENBKFMEGAESY-UHFFFAOYSA-N -1 1 374.487 4.085 20 0 FIADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[nH]n1 ZINC000488594715 1113958550 /nfs/dbraw/zinc/95/85/50/1113958550.db2.gz LNTGXPJIHXAGMT-UHFFFAOYSA-N -1 1 367.780 4.006 20 0 FIADMM CCOc1cc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)cc(Cl)c1[O-] ZINC000912042178 1114056976 /nfs/dbraw/zinc/05/69/76/1114056976.db2.gz PSBPDAYTBMRNAS-GOSISDBHSA-N -1 1 372.852 4.207 20 0 FIADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000489598008 1114141290 /nfs/dbraw/zinc/14/12/90/1114141290.db2.gz QSXJILOZHBULPM-ZFWWWQNUSA-N -1 1 374.278 4.481 20 0 FIADMM Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000054730486 1114385186 /nfs/dbraw/zinc/38/51/86/1114385186.db2.gz ZPQBFIHXPQXWOU-AWEZNQCLSA-N -1 1 372.490 4.128 20 0 FIADMM CCC(=O)Nc1ccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1 ZINC000056163303 1114635160 /nfs/dbraw/zinc/63/51/60/1114635160.db2.gz VDXNFQSMDYKIRA-UHFFFAOYSA-N -1 1 366.417 4.022 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)c2ccccc12 ZINC000588833309 1114662069 /nfs/dbraw/zinc/66/20/69/1114662069.db2.gz IHODJUBMXZWAMH-AWEZNQCLSA-N -1 1 371.458 4.357 20 0 FIADMM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccn1 ZINC000591393825 1115077630 /nfs/dbraw/zinc/07/76/30/1115077630.db2.gz YRHBSJBRCOQGIK-JTQLQIEISA-N -1 1 365.307 4.270 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)ccc1F ZINC000591796773 1115139617 /nfs/dbraw/zinc/13/96/17/1115139617.db2.gz QTMBPWKTKGNYDE-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Fc1cccc(CN(Cn2c(=S)[n-]nc2Cc2cccs2)C2CC2)c1 ZINC000058529423 1115251964 /nfs/dbraw/zinc/25/19/64/1115251964.db2.gz OLSRDBBFANWYOP-UHFFFAOYSA-N -1 1 374.510 4.354 20 0 FIADMM CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000592881549 1115269382 /nfs/dbraw/zinc/26/93/82/1115269382.db2.gz JZFXMOGREJVPFM-UHFFFAOYSA-N -1 1 369.461 4.129 20 0 FIADMM CCOC(=O)[C@H](C)Cc1ccc(-c2nc3scc(C)c3c(=O)[n-]2)cc1 ZINC000594661357 1115476380 /nfs/dbraw/zinc/47/63/80/1115476380.db2.gz SQWSAGQZZPFDNV-LLVKDONJSA-N -1 1 356.447 4.114 20 0 FIADMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC000598206095 1115712024 /nfs/dbraw/zinc/71/20/24/1115712024.db2.gz QSARGNYWCCTYBX-HNNXBMFYSA-N -1 1 371.408 4.007 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(Cl)c(Cl)c1 ZINC000761288554 1115757065 /nfs/dbraw/zinc/75/70/65/1115757065.db2.gz RSXHIJRSCKFEJN-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM CCN(C(=O)Cn1c(=S)[n-]nc1-c1cccs1)[C@@H]1CCCC[C@H]1C ZINC000170773578 1115771289 /nfs/dbraw/zinc/77/12/89/1115771289.db2.gz YPXYOLOIWODXID-CHWSQXEVSA-N -1 1 364.540 4.096 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)s1 ZINC000599926191 1115856169 /nfs/dbraw/zinc/85/61/69/1115856169.db2.gz QZUSRIVWVISSJI-UHFFFAOYSA-N -1 1 364.261 4.013 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)cc1 ZINC000171598436 1115872352 /nfs/dbraw/zinc/87/23/52/1115872352.db2.gz ZVRSGSCZUNHCGC-SJORKVTESA-N -1 1 372.538 4.247 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1F ZINC000606828564 1115973719 /nfs/dbraw/zinc/97/37/19/1115973719.db2.gz XBUQVDXNGFKVKB-UHFFFAOYSA-N -1 1 363.454 4.394 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1 ZINC000063181454 1116018912 /nfs/dbraw/zinc/01/89/12/1116018912.db2.gz KYINEHKENJBAOW-UHFFFAOYSA-N -1 1 362.451 4.000 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)ccc1OC(C)C ZINC000607616854 1116049450 /nfs/dbraw/zinc/04/94/50/1116049450.db2.gz YPYOOOQVMMJGKW-UHFFFAOYSA-N -1 1 374.437 4.270 20 0 FIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc2c(c1)CCCC2 ZINC000607615884 1116049565 /nfs/dbraw/zinc/04/95/65/1116049565.db2.gz XXZLWMOTDNJBIT-UHFFFAOYSA-N -1 1 369.408 4.471 20 0 FIADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1c([O-])cccc1F ZINC000608365464 1116102568 /nfs/dbraw/zinc/10/25/68/1116102568.db2.gz KLSBQCAVSXPQCS-UHFFFAOYSA-N -1 1 369.396 4.004 20 0 FIADMM O=C(COC(c1ccccc1)c1ccccc1)Nc1c([O-])cccc1F ZINC000608367552 1116102661 /nfs/dbraw/zinc/10/26/61/1116102661.db2.gz WCUKUAFBXIRBKL-UHFFFAOYSA-N -1 1 351.377 4.276 20 0 FIADMM CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3c([O-])cccc3F)c2)no1 ZINC000608367606 1116102768 /nfs/dbraw/zinc/10/27/68/1116102768.db2.gz ZFVBZBSDPQSNOG-UHFFFAOYSA-N -1 1 369.396 4.422 20 0 FIADMM CSCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000608955883 1116139700 /nfs/dbraw/zinc/13/97/00/1116139700.db2.gz SIXAKUFSOOGHFP-UHFFFAOYSA-N -1 1 361.410 4.369 20 0 FIADMM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000534567269 1116213599 /nfs/dbraw/zinc/21/35/99/1116213599.db2.gz LKNKLYJGDVDPEO-UHFFFAOYSA-N -1 1 373.416 4.042 20 0 FIADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000534567269 1116213600 /nfs/dbraw/zinc/21/36/00/1116213600.db2.gz LKNKLYJGDVDPEO-UHFFFAOYSA-N -1 1 373.416 4.042 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C ZINC000534617866 1116218708 /nfs/dbraw/zinc/21/87/08/1116218708.db2.gz IPXDSVLYEWOBBR-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cnc(-c2cccnc2)s1 ZINC000534873913 1116245200 /nfs/dbraw/zinc/24/52/00/1116245200.db2.gz SXNAQQFLGVQGSD-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc2c(c1)Cc1ccccc1-2 ZINC000535067311 1116266559 /nfs/dbraw/zinc/26/65/59/1116266559.db2.gz OSCQEZKUTVKXRB-UHFFFAOYSA-N -1 1 363.438 4.089 20 0 FIADMM CCC(CC)n1ccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)n1 ZINC000535289171 1116290929 /nfs/dbraw/zinc/29/09/29/1116290929.db2.gz QTALAJJBWUCOSA-UHFFFAOYSA-N -1 1 363.874 4.023 20 0 FIADMM Cc1ccc(-c2noc([C@H](C)Sc3nc(C)c(C)c(=O)[n-]3)n2)cc1F ZINC000539615048 1116353020 /nfs/dbraw/zinc/35/30/20/1116353020.db2.gz BBJZDLDDPHCQHH-NSHDSACASA-N -1 1 360.414 4.150 20 0 FIADMM Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[n-]c(=O)c1C ZINC000539617649 1116353929 /nfs/dbraw/zinc/35/39/29/1116353929.db2.gz NVSZOGSZMSTIIX-SECBINFHSA-N -1 1 372.277 4.225 20 0 FIADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000462486823 1116359710 /nfs/dbraw/zinc/35/97/10/1116359710.db2.gz SJAKUMHILKKZRQ-BMIGLBTASA-N -1 1 356.875 4.011 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(C(C)(C)C)s2)c(F)c1F ZINC000539954501 1117772472 /nfs/dbraw/zinc/77/24/72/1117772472.db2.gz DXMVJTPLCRPWFD-UHFFFAOYSA-N -1 1 356.369 4.313 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CSc4ccccc43)nc2)[n-]c(=O)c1C ZINC000462849377 1117809666 /nfs/dbraw/zinc/80/96/66/1117809666.db2.gz AXIVPTLIDWSAMA-HNNXBMFYSA-N -1 1 350.447 4.120 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CSc4ccccc43)nc2)[n-]c(=O)c1C ZINC000462849378 1117809955 /nfs/dbraw/zinc/80/99/55/1117809955.db2.gz AXIVPTLIDWSAMA-OAHLLOKOSA-N -1 1 350.447 4.120 20 0 FIADMM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)ccc([O-])c1F ZINC000540175650 1117915883 /nfs/dbraw/zinc/91/58/83/1117915883.db2.gz LMFKLIYHKCVOCI-UHFFFAOYSA-N -1 1 365.339 4.466 20 0 FIADMM CC(C)(C)OCc1ccccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000540256942 1117966032 /nfs/dbraw/zinc/96/60/32/1117966032.db2.gz QILHHWYJOXRNTB-UHFFFAOYSA-N -1 1 355.463 4.128 20 0 FIADMM Cc1ccnc2ccc(C(=O)Nc3nc(-c4cc5ccccc5o4)n[nH]3)cc12 ZINC000509064166 1118544177 /nfs/dbraw/zinc/54/41/77/1118544177.db2.gz IFDPMJSCQNHCEK-UHFFFAOYSA-N -1 1 369.384 4.327 20 0 FIADMM COc1ccc(OC)c([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000302642253 1118654304 /nfs/dbraw/zinc/65/43/04/1118654304.db2.gz RQCQCINQWQNSRS-ZDUSSCGKSA-N -1 1 351.402 4.054 20 0 FIADMM O=C(CCOc1cccc(Br)c1)Nc1ccc([O-])c(Cl)c1 ZINC000541888034 1118689594 /nfs/dbraw/zinc/68/95/94/1118689594.db2.gz AKXFLNXLGFWOEB-UHFFFAOYSA-N -1 1 370.630 4.216 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000542092577 1118789247 /nfs/dbraw/zinc/78/92/47/1118789247.db2.gz BFYQLDAGDBXTOE-UHFFFAOYSA-N -1 1 351.855 4.467 20 0 FIADMM CCC(C)(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000465041129 1118802120 /nfs/dbraw/zinc/80/21/20/1118802120.db2.gz ZIOZFGFOYSZARA-UHFFFAOYSA-N -1 1 360.479 4.252 20 0 FIADMM CC(C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)no1 ZINC000491721796 1118977922 /nfs/dbraw/zinc/97/79/22/1118977922.db2.gz MMMUISZHLXEVRH-UHFFFAOYSA-N -1 1 353.426 4.133 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)s1 ZINC000311904839 1119394293 /nfs/dbraw/zinc/39/42/93/1119394293.db2.gz GLOWBOFCZSSLEV-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2Br)s1 ZINC000312045624 1119398007 /nfs/dbraw/zinc/39/80/07/1119398007.db2.gz UUUPALBIHQHYDT-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM CSc1ccsc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182911998 1119562437 /nfs/dbraw/zinc/56/24/37/1119562437.db2.gz BYRACJAWMUDMHH-UHFFFAOYSA-N -1 1 358.282 4.499 20 0 FIADMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc(F)c(F)c([O-])c1F ZINC000183526183 1119576945 /nfs/dbraw/zinc/57/69/45/1119576945.db2.gz NJFAGVXUUMNRRL-UHFFFAOYSA-N -1 1 361.323 4.206 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1 ZINC000187295367 1119776240 /nfs/dbraw/zinc/77/62/40/1119776240.db2.gz YXMLRBUPERAOCX-UHFFFAOYSA-N -1 1 368.458 4.024 20 0 FIADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189281994 1119883129 /nfs/dbraw/zinc/88/31/29/1119883129.db2.gz HJYFBOYDXHLTTC-GFCCVEGCSA-N -1 1 373.396 4.300 20 0 FIADMM COc1cc(Cl)c(Cl)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000190448622 1119938419 /nfs/dbraw/zinc/93/84/19/1119938419.db2.gz ZCZJHWTXCSJCEI-UHFFFAOYSA-N -1 1 368.142 4.129 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c(C)s1 ZINC000193879358 1120209369 /nfs/dbraw/zinc/20/93/69/1120209369.db2.gz WGTWUUWGTQBJRN-UHFFFAOYSA-N -1 1 350.509 4.074 20 0 FIADMM O=C1OCCN1c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000761744602 1120316741 /nfs/dbraw/zinc/31/67/41/1120316741.db2.gz DVPKDGSIHKXTHU-UHFFFAOYSA-N -1 1 373.368 4.219 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000153339109 1120515711 /nfs/dbraw/zinc/51/57/11/1120515711.db2.gz LXIMCHLRMQAGQS-QFBILLFUSA-N -1 1 367.470 4.335 20 0 FIADMM CCCOc1cccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)c1 ZINC000915224312 1120882150 /nfs/dbraw/zinc/88/21/50/1120882150.db2.gz NMBNUMLUDKJBEU-UHFFFAOYSA-N -1 1 353.418 4.462 20 0 FIADMM CCOc1cc(C(=O)N[C@H](CC)c2ccccc2OC)cc(Cl)c1[O-] ZINC000762573529 1120931445 /nfs/dbraw/zinc/93/14/45/1120931445.db2.gz ASECAYJGYJHOSF-OAHLLOKOSA-N -1 1 363.841 4.334 20 0 FIADMM CSc1c(F)cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1F ZINC000780402162 1121048445 /nfs/dbraw/zinc/04/84/45/1121048445.db2.gz OPMDTLCPSWIUPD-UHFFFAOYSA-N -1 1 365.373 4.425 20 0 FIADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000029975493 1121052947 /nfs/dbraw/zinc/05/29/47/1121052947.db2.gz PQQKCFRWFNMVKW-UHFFFAOYSA-N -1 1 362.429 4.070 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(F)c2ncccc12 ZINC000032585557 1121111045 /nfs/dbraw/zinc/11/10/45/1121111045.db2.gz QQRZUYCCFZJEGQ-UHFFFAOYSA-N -1 1 371.220 4.482 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)cc2s1 ZINC000041573680 1121139740 /nfs/dbraw/zinc/13/97/40/1121139740.db2.gz QGWFHPKWQYCOHG-UHFFFAOYSA-N -1 1 362.476 4.193 20 0 FIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccco4)s3)cs2)o1 ZINC000041787024 1121142594 /nfs/dbraw/zinc/14/25/94/1121142594.db2.gz BSLJZLXKNDQYKZ-UHFFFAOYSA-N -1 1 358.404 4.075 20 0 FIADMM C[C@@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(F)c(F)c1 ZINC000915871242 1121150905 /nfs/dbraw/zinc/15/09/05/1121150905.db2.gz NYTKGQQKPQVJIR-SECBINFHSA-N -1 1 365.763 4.281 20 0 FIADMM O=C(CCc1ccccc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315782 1121239216 /nfs/dbraw/zinc/23/92/16/1121239216.db2.gz WJCZXMSEQIJLPP-UHFFFAOYSA-N -1 1 371.864 4.100 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1sccc1SC(F)F ZINC000763224561 1121297789 /nfs/dbraw/zinc/29/77/89/1121297789.db2.gz LNNKMGLLQSLXTE-UHFFFAOYSA-N -1 1 367.402 4.411 20 0 FIADMM CCOC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000916070062 1121399391 /nfs/dbraw/zinc/39/93/91/1121399391.db2.gz NNJZFHXJIBWBFC-UHFFFAOYSA-N -1 1 350.374 4.366 20 0 FIADMM CCOC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000916069604 1121399664 /nfs/dbraw/zinc/39/96/64/1121399664.db2.gz UHXJBBVIWZLSTD-UHFFFAOYSA-N -1 1 350.374 4.366 20 0 FIADMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000027542003 1121412463 /nfs/dbraw/zinc/41/24/63/1121412463.db2.gz HCYSCRMHZGFDRL-KRXBUXKQSA-N -1 1 369.218 4.237 20 0 FIADMM Cc1ccc(NC(=O)CC2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412127 1121472636 /nfs/dbraw/zinc/47/26/36/1121472636.db2.gz MKVUZLSLUXPCLA-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM COC(=O)c1ccc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)o1 ZINC000124430845 1121693614 /nfs/dbraw/zinc/69/36/14/1121693614.db2.gz TYWOPLAUVPFKFM-UHFFFAOYSA-N -1 1 355.321 4.250 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1 ZINC000064475461 1121771027 /nfs/dbraw/zinc/77/10/27/1121771027.db2.gz NBQAGDLGIAWJCR-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1 ZINC000064477239 1121771653 /nfs/dbraw/zinc/77/16/53/1121771653.db2.gz KAYVLYVKPRNNOQ-UHFFFAOYSA-N -1 1 351.493 4.134 20 0 FIADMM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000073023520 1121915617 /nfs/dbraw/zinc/91/56/17/1121915617.db2.gz VDPFWGSVFVQXHH-UHFFFAOYSA-N -1 1 352.375 4.014 20 0 FIADMM COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cc1OC ZINC000186247943 1121982430 /nfs/dbraw/zinc/98/24/30/1121982430.db2.gz NJSZERQLTQJPAI-VIFPVBQESA-N -1 1 370.218 4.484 20 0 FIADMM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C ZINC000917113931 1122162482 /nfs/dbraw/zinc/16/24/82/1122162482.db2.gz OHOVGLOFOVOUBV-UHFFFAOYSA-N -1 1 363.417 4.001 20 0 FIADMM CC(C)(CC(F)(F)F)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001128045687 1122198974 /nfs/dbraw/zinc/19/89/74/1122198974.db2.gz MHCBGYXMRSKKLP-UHFFFAOYSA-N -1 1 374.147 4.388 20 0 FIADMM O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccc([O-])c(F)c1 ZINC000671914000 1122201135 /nfs/dbraw/zinc/20/11/35/1122201135.db2.gz UCDHUKWCTKRZEJ-UHFFFAOYSA-N -1 1 362.813 4.238 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1 ZINC000055632236 1122258500 /nfs/dbraw/zinc/25/85/00/1122258500.db2.gz ZWOSBXXYTHBQLN-UHFFFAOYSA-N -1 1 368.458 4.024 20 0 FIADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000917756628 1122422316 /nfs/dbraw/zinc/42/23/16/1122422316.db2.gz JCYPAIPOEXEINZ-UHFFFAOYSA-N -1 1 361.463 4.208 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(F)(F)F ZINC000497959709 1122491839 /nfs/dbraw/zinc/49/18/39/1122491839.db2.gz OMMYEWIZXHATRL-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM CCC[C@@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498204545 1122625792 /nfs/dbraw/zinc/62/57/92/1122625792.db2.gz ZMYHSCGCZGUSMW-OAHLLOKOSA-N -1 1 360.479 4.171 20 0 FIADMM Cc1nc(S[C@H](C)c2nc3ccccc3n2C(F)F)[n-]c(=O)c1C ZINC000556341293 1122823310 /nfs/dbraw/zinc/82/33/10/1122823310.db2.gz NRESAYAUFZDUGR-SNVBAGLBSA-N -1 1 350.394 4.397 20 0 FIADMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000130563066 1122871772 /nfs/dbraw/zinc/87/17/72/1122871772.db2.gz RYMSNINHHABDSS-UHFFFAOYSA-N -1 1 374.440 4.342 20 0 FIADMM CCC(C)(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000498689245 1122949917 /nfs/dbraw/zinc/94/99/17/1122949917.db2.gz SGDRTLOBJCBERB-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM O=S(=O)([N-]c1cccc(O)c1F)c1c(Cl)cc(Cl)cc1Cl ZINC000131515204 1123099747 /nfs/dbraw/zinc/09/97/47/1123099747.db2.gz YKTWAJJRKFMIKT-UHFFFAOYSA-N -1 1 370.616 4.292 20 0 FIADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2c(C)cc(C)cc2C)c(=O)[n-]1 ZINC000920163887 1123391235 /nfs/dbraw/zinc/39/12/35/1123391235.db2.gz UUHYDTCYDGFILH-HNNXBMFYSA-N -1 1 374.506 4.375 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2cc(F)cc(Br)c2)no1 ZINC000132992950 1123395762 /nfs/dbraw/zinc/39/57/62/1123395762.db2.gz BSPQHVPIPFINBI-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1CC ZINC000499279645 1123399775 /nfs/dbraw/zinc/39/97/75/1123399775.db2.gz CGABXMSVJLCETC-UHFFFAOYSA-N -1 1 356.447 4.267 20 0 FIADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(Br)c1 ZINC000920445316 1123457984 /nfs/dbraw/zinc/45/79/84/1123457984.db2.gz BIPNJVXBLAVWLE-SECBINFHSA-N -1 1 354.631 4.299 20 0 FIADMM CCCOc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1OC ZINC000920451557 1123459009 /nfs/dbraw/zinc/45/90/09/1123459009.db2.gz DRKSXLPLQBYRIN-LBPRGKRZSA-N -1 1 363.841 4.334 20 0 FIADMM C[C@@H](c1ccccc1Cl)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000075502784 1123495210 /nfs/dbraw/zinc/49/52/10/1123495210.db2.gz YBKRLIZXVIHUBL-LBPRGKRZSA-N -1 1 367.836 4.355 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 ZINC000195576434 1123762999 /nfs/dbraw/zinc/76/29/99/1123762999.db2.gz DINCEDZZQUCVKA-UHFFFAOYSA-N -1 1 362.842 4.396 20 0 FIADMM CCN(C(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1)C1CCCCC1 ZINC000068121366 1124049802 /nfs/dbraw/zinc/04/98/02/1124049802.db2.gz HFJHXWWNBBDKOH-UHFFFAOYSA-N -1 1 372.538 4.487 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1cc(F)c(F)cc1F ZINC000542720657 1124150610 /nfs/dbraw/zinc/15/06/10/1124150610.db2.gz CQHJWEQPAUGYIU-UHFFFAOYSA-N -1 1 371.714 4.496 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000615955337 1124184299 /nfs/dbraw/zinc/18/42/99/1124184299.db2.gz JJTKXLIRQKSCQN-UHFFFAOYSA-N -1 1 372.446 4.177 20 0 FIADMM CCCCC1CCC(C(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)CC1 ZINC000068427491 1124232689 /nfs/dbraw/zinc/23/26/89/1124232689.db2.gz HVRMQLBUXIEWLZ-UHFFFAOYSA-N -1 1 364.559 4.180 20 0 FIADMM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672044732 1124234403 /nfs/dbraw/zinc/23/44/03/1124234403.db2.gz NOIAEJPXODFBNS-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1 ZINC000057432514 1124333407 /nfs/dbraw/zinc/33/34/07/1124333407.db2.gz KDLLIDYYXBRVTN-UHFFFAOYSA-N -1 1 367.426 4.482 20 0 FIADMM O=S(=O)([N-][C@@H](C1CCC1)C1CCCCC1)c1ccc(F)c(F)c1F ZINC001212286558 1124381369 /nfs/dbraw/zinc/38/13/69/1124381369.db2.gz QDMJGIIARBZPQJ-QGZVFWFLSA-N -1 1 361.429 4.131 20 0 FIADMM O=C(c1cc2sccc2s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000616986829 1124420354 /nfs/dbraw/zinc/42/03/54/1124420354.db2.gz LFJCIPHMMVTWJZ-UHFFFAOYSA-N -1 1 371.483 4.404 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2)oc1C ZINC000060554331 1124573194 /nfs/dbraw/zinc/57/31/94/1124573194.db2.gz DNXHFJLYKAWTNK-UHFFFAOYSA-N -1 1 368.458 4.248 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OCC ZINC000007050904 1124858353 /nfs/dbraw/zinc/85/83/53/1124858353.db2.gz VCCOIONKWFNOKB-UHFFFAOYSA-N -1 1 373.833 4.077 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1cccc(Cl)c1 ZINC000007055667 1124860037 /nfs/dbraw/zinc/86/00/37/1124860037.db2.gz BINNIKWGXNCCBW-UHFFFAOYSA-N -1 1 365.838 4.182 20 0 FIADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000542935197 1124911338 /nfs/dbraw/zinc/91/13/38/1124911338.db2.gz IAJWMHCQTQIDGM-AWEZNQCLSA-N -1 1 372.446 4.320 20 0 FIADMM COc1cc(Br)c(C)nc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486433 1124933742 /nfs/dbraw/zinc/93/37/42/1124933742.db2.gz HQSKSCXAWPAXMM-UHFFFAOYSA-N -1 1 361.598 4.403 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)oc1C ZINC000618475299 1125188793 /nfs/dbraw/zinc/18/87/93/1125188793.db2.gz VPQZQLLPDBRCHG-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM COCc1nc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)cs1 ZINC000078189174 1125436667 /nfs/dbraw/zinc/43/66/67/1125436667.db2.gz OLTCHJWURSKNTQ-UHFFFAOYSA-N -1 1 362.398 4.038 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC000063181325 212031694 /nfs/dbraw/zinc/03/16/94/212031694.db2.gz AIYMNFZXVUBWQM-UHFFFAOYSA-N -1 1 372.490 4.023 20 0 FIADMM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1ocnc1C(F)F ZINC000602260937 567960934 /nfs/dbraw/zinc/96/09/34/567960934.db2.gz IFWOKUQXKLMDFA-UHFFFAOYSA-N -1 1 358.366 4.226 20 0 FIADMM CCOCCC1(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)CCCC1 ZINC000186865972 567993859 /nfs/dbraw/zinc/99/38/59/567993859.db2.gz FTBXLUYILYPDEG-UHFFFAOYSA-N -1 1 369.889 4.161 20 0 FIADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ncc3ccccc3c2[O-])s1 ZINC000669118744 568054567 /nfs/dbraw/zinc/05/45/67/568054567.db2.gz ZCAQKTBGALRIAN-LBPRGKRZSA-N -1 1 355.463 4.101 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000010514295 568235821 /nfs/dbraw/zinc/23/58/21/568235821.db2.gz UIMSNFILAAKEMX-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM C[C@@H]1CCC[C@H](CCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000604598622 568322640 /nfs/dbraw/zinc/32/26/40/568322640.db2.gz HUHCCEAYEMHVAV-IAGOWNOFSA-N -1 1 372.509 4.213 20 0 FIADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000263094442 1125774951 /nfs/dbraw/zinc/77/49/51/1125774951.db2.gz VBKLSQMQZKGTKT-MWLCHTKSSA-N -1 1 369.305 4.267 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1 ZINC000471136182 1079789089 /nfs/dbraw/zinc/78/90/89/1079789089.db2.gz IKGNSIJBFRILBU-UHFFFAOYSA-N -1 1 373.396 4.004 20 0 FIADMM O=C([O-])c1cccc(CNCc2ccc(Cl)cc2Br)c1 ZINC000683170605 1079795806 /nfs/dbraw/zinc/79/58/06/1079795806.db2.gz IVZIOFSSZHJZON-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2nc(-c3ccccc3)cs2)cc1 ZINC000683171582 1079803896 /nfs/dbraw/zinc/80/38/96/1079803896.db2.gz MKQTWMBSSOMVLA-QGZVFWFLSA-N -1 1 368.458 4.124 20 0 FIADMM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1cccc(Br)c1 ZINC000683173471 1079814115 /nfs/dbraw/zinc/81/41/15/1079814115.db2.gz IXRSETDZNYQDGP-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM CCc1cc(Cl)c(Cl)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC001211497048 1079912173 /nfs/dbraw/zinc/91/21/73/1079912173.db2.gz GMIFJRYHZBEWSZ-UHFFFAOYSA-N -1 1 363.266 4.170 20 0 FIADMM CCc1cc(Cl)c(Cl)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC001211497048 1079912175 /nfs/dbraw/zinc/91/21/75/1079912175.db2.gz GMIFJRYHZBEWSZ-UHFFFAOYSA-N -1 1 363.266 4.170 20 0 FIADMM O=S(=O)([N-]c1ccc(SCc2cccnc2)cc1)c1ccccc1 ZINC000014706687 1079927487 /nfs/dbraw/zinc/92/74/87/1079927487.db2.gz TYXCHOQRVKUQOA-UHFFFAOYSA-N -1 1 356.472 4.175 20 0 FIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCC(F)(F)CC1 ZINC000655340506 1080169588 /nfs/dbraw/zinc/16/95/88/1080169588.db2.gz FYHKWVNTFFIZRK-VIFPVBQESA-N -1 1 362.214 4.099 20 0 FIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(Cl)sc1Cl ZINC000021632768 1080194752 /nfs/dbraw/zinc/19/47/52/1080194752.db2.gz FXVLCVVSQFTQCM-UHFFFAOYSA-N -1 1 371.197 4.224 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Cl)c2ccccc21 ZINC000180197238 1080464705 /nfs/dbraw/zinc/46/47/05/1080464705.db2.gz JYDXVEGKCCKYDS-UHFFFAOYSA-N -1 1 353.230 4.342 20 0 FIADMM CCCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000471235001 1080473038 /nfs/dbraw/zinc/47/30/38/1080473038.db2.gz KSJRRYPNUSMKBL-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000180285730 1080475518 /nfs/dbraw/zinc/47/55/18/1080475518.db2.gz SKLNAYCBRCAOQV-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000007421188 1080501986 /nfs/dbraw/zinc/50/19/86/1080501986.db2.gz ZNSAOVKPLYMGHX-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCOc1cc(-c2noc([C@H](C)SC)n2)cc(Br)c1[O-] ZINC000109507681 1080589762 /nfs/dbraw/zinc/58/97/62/1080589762.db2.gz RSTRLMGMVZIWSW-ZETCQYMHSA-N -1 1 359.245 4.027 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)c(C)o1 ZINC000430374680 1080821866 /nfs/dbraw/zinc/82/18/66/1080821866.db2.gz KLZBFMLOQUPCEQ-UHFFFAOYSA-N -1 1 355.843 4.064 20 0 FIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447786776 1080902838 /nfs/dbraw/zinc/90/28/38/1080902838.db2.gz KMENCOIEHOCYQG-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3coc(C4CCC4)n3)s2)c(C)c1 ZINC000683442357 1080990919 /nfs/dbraw/zinc/99/09/19/1080990919.db2.gz RXUDWYKAAWREPA-UHFFFAOYSA-N -1 1 354.435 4.330 20 0 FIADMM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000683524225 1081047479 /nfs/dbraw/zinc/04/74/79/1081047479.db2.gz XXVUGCDZGFSUKA-ZDUSSCGKSA-N -1 1 365.685 4.357 20 0 FIADMM O=C([N-]c1ccccc1SC[C@H]1CC1(Cl)Cl)c1csnn1 ZINC000133948298 1081075520 /nfs/dbraw/zinc/07/55/20/1081075520.db2.gz SDCOCQKNJSLCKL-MRVPVSSYSA-N -1 1 360.291 4.076 20 0 FIADMM Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001625862325 1081134069 /nfs/dbraw/zinc/13/40/69/1081134069.db2.gz XIDPYUFWWVRORV-UHFFFAOYSA-N -1 1 369.808 4.118 20 0 FIADMM COc1ccccc1-c1nc(-c2nc(-c3ccc([O-])cc3F)no2)cs1 ZINC000683592276 1081181800 /nfs/dbraw/zinc/18/18/00/1081181800.db2.gz XQAANVGCLCGSDG-UHFFFAOYSA-N -1 1 369.377 4.380 20 0 FIADMM O=C(Nc1c[n-][nH]c1=O)c1ccccc1Nc1ccc(Cl)c(Cl)c1 ZINC001648816372 1081236954 /nfs/dbraw/zinc/23/69/54/1081236954.db2.gz RLAXYUCYSMLCAV-UHFFFAOYSA-N -1 1 363.204 4.418 20 0 FIADMM O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)C(=O)c1ccc([O-])cc1 ZINC001648839931 1081283172 /nfs/dbraw/zinc/28/31/72/1081283172.db2.gz YSBSZXWEWSSZES-LJQANCHMSA-N -1 1 355.409 4.152 20 0 FIADMM CSc1ccncc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000683708002 1081418586 /nfs/dbraw/zinc/41/85/86/1081418586.db2.gz JGOSEMKVAQSYRQ-UHFFFAOYSA-N -1 1 363.291 4.052 20 0 FIADMM COc1cc(F)c(S(=O)(=O)[N-]c2c(C)c(C)ccc2Cl)c(F)c1 ZINC000683719327 1081437848 /nfs/dbraw/zinc/43/78/48/1081437848.db2.gz GEQZLVITPCSRBI-UHFFFAOYSA-N -1 1 361.797 4.044 20 0 FIADMM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035015 1081503675 /nfs/dbraw/zinc/50/36/75/1081503675.db2.gz DTXWWBQSVABKRS-YPMHNXCESA-N -1 1 368.264 4.012 20 0 FIADMM O=c1nc(CNC2(c3cccc(C(F)(F)F)c3)CC2)[n-]c2ccsc21 ZINC000580046743 1081553973 /nfs/dbraw/zinc/55/39/73/1081553973.db2.gz MKFZGYFFHLTFRJ-UHFFFAOYSA-N -1 1 365.380 4.195 20 0 FIADMM [O-]c1c(F)cc(Br)cc1NC(=S)NCC1CCCCC1 ZINC000168939943 1081911506 /nfs/dbraw/zinc/91/15/06/1081911506.db2.gz YDHBUMIGWZGGIG-UHFFFAOYSA-N -1 1 361.280 4.161 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(OC)c3cccnc23)cc(Cl)c1[O-] ZINC000548112446 1082021044 /nfs/dbraw/zinc/02/10/44/1082021044.db2.gz HLVYGPGHKGOKTA-UHFFFAOYSA-N -1 1 372.808 4.253 20 0 FIADMM O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc([O-])c(Br)c1 ZINC000199134891 1082063594 /nfs/dbraw/zinc/06/35/94/1082063594.db2.gz ZJDWRSISRACTCK-WZUFQYTHSA-N -1 1 350.599 4.301 20 0 FIADMM O=C([O-])c1sc2ccccc2c1CN1CCO[C@H](c2ccccc2)C1 ZINC000581017192 1082279300 /nfs/dbraw/zinc/27/93/00/1082279300.db2.gz NWDFCSMMBITJIH-KRWDZBQOSA-N -1 1 353.443 4.173 20 0 FIADMM C[C@H](CN(C)Cc1cc(C(=O)[O-])co1)Oc1ccc(Cl)c(Cl)c1 ZINC000581434746 1082575445 /nfs/dbraw/zinc/57/54/45/1082575445.db2.gz KLZCBZVYJMBPEK-SNVBAGLBSA-N -1 1 358.221 4.184 20 0 FIADMM CCC(CC)(CC(=O)Nc1cccc2c1CN(CCC(C)C)C2)C(=O)[O-] ZINC000076393140 1082743140 /nfs/dbraw/zinc/74/31/40/1082743140.db2.gz LDVSVMXFIOBUKG-UHFFFAOYSA-N -1 1 360.498 4.268 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000656757465 1082751146 /nfs/dbraw/zinc/75/11/46/1082751146.db2.gz OLGAYBOURRZNPE-MNOVXSKESA-N -1 1 370.198 4.121 20 0 FIADMM Cc1ccc(OC(F)F)c(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000656764351 1082755957 /nfs/dbraw/zinc/75/59/57/1082755957.db2.gz GDRDRQODLARKQT-JYJNAYRXSA-N -1 1 353.409 4.062 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)co1 ZINC000510804393 1083320006 /nfs/dbraw/zinc/32/00/06/1083320006.db2.gz UZHOCBRBNSJEGN-UHFFFAOYSA-N -1 1 366.805 4.190 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000016147510 1083369425 /nfs/dbraw/zinc/36/94/25/1083369425.db2.gz OUDUVKKMZMQBJZ-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000431641491 1083643659 /nfs/dbraw/zinc/64/36/59/1083643659.db2.gz VTPCOZAJZWERMA-NSHDSACASA-N -1 1 371.352 4.052 20 0 FIADMM O=C(c1nc[n-]c1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000684609691 1083739940 /nfs/dbraw/zinc/73/99/40/1083739940.db2.gz TZAJAPHWSCZYRA-UHFFFAOYSA-N -1 1 350.765 4.011 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000612382906 1083761168 /nfs/dbraw/zinc/76/11/68/1083761168.db2.gz QIUPYWQQWANUCG-OALUTQOASA-N -1 1 355.478 4.030 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1C(F)(F)F ZINC000570094559 1083904467 /nfs/dbraw/zinc/90/44/67/1083904467.db2.gz HLQGEZMWWWQZSP-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000548943235 1083931877 /nfs/dbraw/zinc/93/18/77/1083931877.db2.gz JAYDMWHORSIBIA-CYBMUJFWSA-N -1 1 370.811 4.363 20 0 FIADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000235955969 1084188962 /nfs/dbraw/zinc/18/89/62/1084188962.db2.gz MVFJVBIWMBMDKT-UHFFFAOYSA-N -1 1 369.632 4.290 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H](CC)CC(F)(F)F)cc(Cl)c1[O-] ZINC000414001469 1084258009 /nfs/dbraw/zinc/25/80/09/1084258009.db2.gz GLUFXXRKXBURSL-VIFPVBQESA-N -1 1 353.768 4.153 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000472504029 1084351268 /nfs/dbraw/zinc/35/12/68/1084351268.db2.gz RDFYRSCMWKQSIO-UHFFFAOYSA-N -1 1 362.433 4.025 20 0 FIADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000051467803 1084709814 /nfs/dbraw/zinc/70/98/14/1084709814.db2.gz RAQPYYGVSGHTLA-DNVCBOLYSA-N -1 1 359.853 4.286 20 0 FIADMM Cc1cc([C@@H](C)N(C)Cc2cc(Br)cs2)oc1C(=O)[O-] ZINC000582246976 1084794086 /nfs/dbraw/zinc/79/40/86/1084794086.db2.gz WZJPAHKUEMIGPD-SECBINFHSA-N -1 1 358.257 4.303 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(CC)o3)cc2)cc1 ZINC000174766603 1084824447 /nfs/dbraw/zinc/82/44/47/1084824447.db2.gz YMMGWLTWOCXTAY-UHFFFAOYSA-N -1 1 371.462 4.052 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000176662452 1084900748 /nfs/dbraw/zinc/90/07/48/1084900748.db2.gz IAXLOELNTLKGHK-GDBMZVCRSA-N -1 1 372.538 4.247 20 0 FIADMM COc1ccc(CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C2CC2)cc1 ZINC000684870271 1084996013 /nfs/dbraw/zinc/99/60/13/1084996013.db2.gz WNUXHNKYFSENMF-UHFFFAOYSA-N -1 1 365.351 4.224 20 0 FIADMM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873118 1085007051 /nfs/dbraw/zinc/00/70/51/1085007051.db2.gz UGRMSBMREXQJDL-PXAZEXFGSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877550 1085021030 /nfs/dbraw/zinc/02/10/30/1085021030.db2.gz QNPJTPVHUKGXRU-UHFFFAOYSA-N -1 1 371.265 4.477 20 0 FIADMM Cc1[nH]c2ccc(CNC(=O)c3c([O-])cnc4c(F)cccc43)cc2c1C ZINC001625876430 1085040228 /nfs/dbraw/zinc/04/02/28/1085040228.db2.gz WACCIZGUIBEFKQ-UHFFFAOYSA-N -1 1 363.392 4.108 20 0 FIADMM Cc1ccc(F)c(Br)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC001627447916 1085051633 /nfs/dbraw/zinc/05/16/33/1085051633.db2.gz FAVHBWCVAHXCQQ-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)c2C1 ZINC000564492262 1085196067 /nfs/dbraw/zinc/19/60/67/1085196067.db2.gz LSPSZNGBXDEFKJ-UHFFFAOYSA-N -1 1 366.433 4.151 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cc(Cl)cc(Cl)c1 ZINC000511869797 1085222869 /nfs/dbraw/zinc/22/28/69/1085222869.db2.gz TVLRAZTUZIPHAV-UHFFFAOYSA-N -1 1 369.229 4.449 20 0 FIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(Cl)ncc3F)s2)c1 ZINC001126014227 1085336115 /nfs/dbraw/zinc/33/61/15/1085336115.db2.gz XBJQZITXSPLUNH-UHFFFAOYSA-N -1 1 362.817 4.262 20 0 FIADMM CCc1nc(SCC(=O)Nc2c(C)cc(C)cc2Cl)[n-]c(=O)c1C ZINC000563439591 1085407534 /nfs/dbraw/zinc/40/75/34/1085407534.db2.gz MMXRVGNNOHXZNQ-UHFFFAOYSA-N -1 1 365.886 4.054 20 0 FIADMM C[C@]1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C[C@@H]1c1ccccc1 ZINC000662766428 1085484095 /nfs/dbraw/zinc/48/40/95/1085484095.db2.gz KKOJIFIKIPXEHJ-OFNKIYASSA-N -1 1 363.457 4.007 20 0 FIADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1cc(Br)ccc1[O-] ZINC001167776744 1085484459 /nfs/dbraw/zinc/48/44/59/1085484459.db2.gz XWZBLDDDIWNTTD-UHFFFAOYSA-N -1 1 364.214 4.103 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@](C)(c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000078259163 1085669426 /nfs/dbraw/zinc/66/94/26/1085669426.db2.gz FEDFJKPIOFKGRS-QHCPKHFHSA-N -1 1 374.488 4.007 20 0 FIADMM CC[C@H]1CCCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000121761559 1085993767 /nfs/dbraw/zinc/99/37/67/1085993767.db2.gz CDVFPAILDOCZGH-QWHCGFSZSA-N -1 1 364.540 4.144 20 0 FIADMM CC[C@H](C)[C@@H](C)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253558499 1086246173 /nfs/dbraw/zinc/24/61/73/1086246173.db2.gz SJEDARARQLZVCA-LOWVWBTDSA-N -1 1 357.479 4.134 20 0 FIADMM COc1cc(C(=O)N(C)[C@H](C)CSc2ccccc2)cc(Cl)c1[O-] ZINC000652624138 1086310544 /nfs/dbraw/zinc/31/05/44/1086310544.db2.gz BBOQQCHMFZFTJJ-GFCCVEGCSA-N -1 1 365.882 4.307 20 0 FIADMM O=c1nc(CN2CCC3(CC3)CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000663438343 1086541355 /nfs/dbraw/zinc/54/13/55/1086541355.db2.gz UKUPJGINOSNIEW-UHFFFAOYSA-N -1 1 369.465 4.167 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1 ZINC000467756855 1086635821 /nfs/dbraw/zinc/63/58/21/1086635821.db2.gz IMETXJLUMOVEHC-UHFFFAOYSA-N -1 1 373.396 4.004 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000545147141 1086720117 /nfs/dbraw/zinc/72/01/17/1086720117.db2.gz KJRWHWDLZISVEL-SNVBAGLBSA-N -1 1 369.795 4.256 20 0 FIADMM O=C([O-])c1ccc(OCCN2CCC[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000583569678 1086798470 /nfs/dbraw/zinc/79/84/70/1086798470.db2.gz IVINADXHLIODFG-QGZVFWFLSA-N -1 1 363.816 4.393 20 0 FIADMM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cccc([O-])c3F)ccc21 ZINC001143449374 1086847971 /nfs/dbraw/zinc/84/79/71/1086847971.db2.gz JRSQWMUOLKNPEO-UHFFFAOYSA-N -1 1 372.396 4.081 20 0 FIADMM O=C(NCc1ccc(Oc2ccccc2)cc1)c1c(F)ccc([O-])c1F ZINC000536098843 1086905387 /nfs/dbraw/zinc/90/53/87/1086905387.db2.gz NNIVNWLAZFAVIK-UHFFFAOYSA-N -1 1 355.340 4.393 20 0 FIADMM CCSCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)c1 ZINC000448127375 1086957757 /nfs/dbraw/zinc/95/77/57/1086957757.db2.gz HHNAHZBYIRHOPD-UHFFFAOYSA-N -1 1 363.504 4.333 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2SC)c(C)c1C ZINC000584193776 1087212187 /nfs/dbraw/zinc/21/21/87/1087212187.db2.gz FCHVWVTXHBMUKF-UHFFFAOYSA-N -1 1 351.493 4.143 20 0 FIADMM CC[C@H](C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000159720061 1087314625 /nfs/dbraw/zinc/31/46/25/1087314625.db2.gz RMNDKIRZYUNCLZ-LBPRGKRZSA-N -1 1 369.223 4.087 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(c2cc(C(C)C)nc(C(C)C)n2)CC1 ZINC000090092225 1087407022 /nfs/dbraw/zinc/40/70/22/1087407022.db2.gz URMVEWLDNOMNID-UHFFFAOYSA-N -1 1 374.558 4.381 20 0 FIADMM Clc1cnc(-n2cc([N-]c3nc(C4CC4)ns3)cn2)c(Cl)c1 ZINC000092685659 1087444723 /nfs/dbraw/zinc/44/47/23/1087444723.db2.gz WUBNRGVIIFDGAF-UHFFFAOYSA-N -1 1 353.238 4.047 20 0 FIADMM Cc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c(Cl)c1 ZINC000039548986 1087504215 /nfs/dbraw/zinc/50/42/15/1087504215.db2.gz YSWSNCYHRNUSNM-UHFFFAOYSA-N -1 1 364.883 4.270 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1nc2ccccc2cc1Br ZINC000685435774 1087567734 /nfs/dbraw/zinc/56/77/34/1087567734.db2.gz BJSUWPKGDCCLPY-UHFFFAOYSA-N -1 1 361.170 4.094 20 0 FIADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)Cc1cccc(Cl)c1 ZINC000685447585 1087572552 /nfs/dbraw/zinc/57/25/52/1087572552.db2.gz JQQCXADJYMUGCQ-UHFFFAOYSA-N -1 1 353.796 4.323 20 0 FIADMM CSCc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000184032858 1087670931 /nfs/dbraw/zinc/67/09/31/1087670931.db2.gz SBGWFQJIWOCIHU-UHFFFAOYSA-N -1 1 372.309 4.113 20 0 FIADMM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000424077277 1087747726 /nfs/dbraw/zinc/74/77/26/1087747726.db2.gz BDIMAAGTKIDPOF-UHFFFAOYSA-N -1 1 369.870 4.074 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)cc(Cl)c1[O-] ZINC000186790385 1087991208 /nfs/dbraw/zinc/99/12/08/1087991208.db2.gz DHYMCALEKXYNCI-JTQLQIEISA-N -1 1 368.886 4.351 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000186888190 1088028048 /nfs/dbraw/zinc/02/80/48/1088028048.db2.gz CTOPEVPBRJKSKG-IBGZPJMESA-N -1 1 369.367 4.037 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1 ZINC000414378093 1088050316 /nfs/dbraw/zinc/05/03/16/1088050316.db2.gz XXZQEDIRIWDZTQ-UHFFFAOYSA-N -1 1 373.474 4.015 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000178622115 1088648340 /nfs/dbraw/zinc/64/83/40/1088648340.db2.gz XXXRIPCSWIEPSP-UHFFFAOYSA-N -1 1 368.458 4.377 20 0 FIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2nc(-c3ccccc3)cs2)c1F ZINC000514066474 1088711966 /nfs/dbraw/zinc/71/19/66/1088711966.db2.gz SZRFQLWNZITPJY-UHFFFAOYSA-N -1 1 374.368 4.127 20 0 FIADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1cc(-c2ccccc2)no1 ZINC000659793853 1088865978 /nfs/dbraw/zinc/86/59/78/1088865978.db2.gz WZFNCDSCDDVJEL-FXAWDEMLSA-N -1 1 354.450 4.197 20 0 FIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc(Cl)cc1Cl ZINC000188133223 1088904130 /nfs/dbraw/zinc/90/41/30/1088904130.db2.gz MUYZCONGTONODW-UHFFFAOYSA-N -1 1 370.261 4.097 20 0 FIADMM CC(C)CCn1nc(CNCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000414637163 1088912918 /nfs/dbraw/zinc/91/29/18/1088912918.db2.gz LRUINUKZJHVLDC-UHFFFAOYSA-N -1 1 351.450 4.070 20 0 FIADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182862757 1088952414 /nfs/dbraw/zinc/95/24/14/1088952414.db2.gz JMGLJPCHFCXKBX-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-]Cc2ccc(Cl)cc2F)cnc1Cl ZINC001269854586 1089018253 /nfs/dbraw/zinc/01/82/53/1089018253.db2.gz ZIKYEYYUPCMTBM-UHFFFAOYSA-N -1 1 363.166 4.244 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000613668063 1089271273 /nfs/dbraw/zinc/27/12/73/1089271273.db2.gz QVXQOMMXPAHBNH-UHFFFAOYSA-N -1 1 355.397 4.286 20 0 FIADMM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668097 1089274279 /nfs/dbraw/zinc/27/42/79/1089274279.db2.gz SOWRUAJVDUIYCC-AWEZNQCLSA-N -1 1 365.433 4.313 20 0 FIADMM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[N-]c1nncs1 ZINC000430126567 1089365048 /nfs/dbraw/zinc/36/50/48/1089365048.db2.gz QJAQKAFCDOMALG-UHFFFAOYSA-N -1 1 355.206 4.061 20 0 FIADMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1c(F)ccc(O)c1F ZINC000514758365 1089442274 /nfs/dbraw/zinc/44/22/74/1089442274.db2.gz KZOSHIPROVNXDH-UHFFFAOYSA-N -1 1 355.300 4.059 20 0 FIADMM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1c(F)ccc([O-])c1F ZINC000514758365 1089442281 /nfs/dbraw/zinc/44/22/81/1089442281.db2.gz KZOSHIPROVNXDH-UHFFFAOYSA-N -1 1 355.300 4.059 20 0 FIADMM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1c(Cl)cc(F)cc1Cl ZINC000435443253 1089669391 /nfs/dbraw/zinc/66/93/91/1089669391.db2.gz MWQLYUKIULDBRW-UHFFFAOYSA-N -1 1 373.236 4.092 20 0 FIADMM O=C([O-])c1nc(-c2ccccc2)oc1CN(Cc1cccs1)C1CC1 ZINC000515174670 1089851722 /nfs/dbraw/zinc/85/17/22/1089851722.db2.gz NGWUSEHYUAAMCD-UHFFFAOYSA-N -1 1 354.431 4.266 20 0 FIADMM Cc1csc(Nc2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2)n1 ZINC001625893711 1089964167 /nfs/dbraw/zinc/96/41/67/1089964167.db2.gz KRUUXQDDQROHBS-UHFFFAOYSA-N -1 1 361.373 4.431 20 0 FIADMM Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813746 1090354768 /nfs/dbraw/zinc/35/47/68/1090354768.db2.gz WWMDSEUJSPQMLN-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM CCCOc1c(Cl)cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1OCC ZINC000584593799 1090636978 /nfs/dbraw/zinc/63/69/78/1090636978.db2.gz NBEJALNRINLSLT-UKRRQHHQSA-N -1 1 369.889 4.070 20 0 FIADMM CC[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])N(C)Cc1ccccc1 ZINC000584811383 1090914176 /nfs/dbraw/zinc/91/41/76/1090914176.db2.gz BXZCTZAYNZWWQA-MRXNPFEDSA-N -1 1 350.821 4.034 20 0 FIADMM Cc1cc(Br)c(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000417541956 1090917766 /nfs/dbraw/zinc/91/77/66/1090917766.db2.gz ZHSAYFFXKCRKHF-LLVKDONJSA-N -1 1 360.298 4.186 20 0 FIADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])[C@@H]3CCOC4(CCC4)C3)o2)cc1 ZINC000417640331 1090951934 /nfs/dbraw/zinc/95/19/34/1090951934.db2.gz XMRBGWSCKMXXHP-XLIONFOSSA-N -1 1 369.461 4.147 20 0 FIADMM CCCC[C@@H](CC)CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042841951 1091042580 /nfs/dbraw/zinc/04/25/80/1091042580.db2.gz HJYCFFCFKIHNSW-MRXNPFEDSA-N -1 1 360.498 4.213 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000500302251 1091239309 /nfs/dbraw/zinc/23/93/09/1091239309.db2.gz IOFQYJCZGDZZBW-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccs1 ZINC000512204009 1091908486 /nfs/dbraw/zinc/90/84/86/1091908486.db2.gz TXDQHYABLWGQAN-UHFFFAOYSA-N -1 1 370.348 4.373 20 0 FIADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000432644110 1092022436 /nfs/dbraw/zinc/02/24/36/1092022436.db2.gz LCNMVPHQETWDIQ-UHFFFAOYSA-N -1 1 358.316 4.127 20 0 FIADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)s1 ZINC000520881151 1092327235 /nfs/dbraw/zinc/32/72/35/1092327235.db2.gz DDDURBDCZLUHBH-UHFFFAOYSA-N -1 1 352.815 4.152 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1Cl ZINC000509537255 1092533083 /nfs/dbraw/zinc/53/30/83/1092533083.db2.gz CUZIDACZSQIVBY-UHFFFAOYSA-N -1 1 374.245 4.005 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1 ZINC000508388456 1092582083 /nfs/dbraw/zinc/58/20/83/1092582083.db2.gz LKBRFDDLJPTFQK-HNNXBMFYSA-N -1 1 355.463 4.187 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442643995 1092708494 /nfs/dbraw/zinc/70/84/94/1092708494.db2.gz HDVQVWGZWRZMAL-UHFFFAOYSA-N -1 1 356.596 4.252 20 0 FIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000473403357 1092797652 /nfs/dbraw/zinc/79/76/52/1092797652.db2.gz UESSSPBBVKSBFV-UHFFFAOYSA-N -1 1 352.264 4.173 20 0 FIADMM COc1cc(C(=O)NCC(C)(C)c2ccccc2Cl)cc(Cl)c1[O-] ZINC000442962908 1092890771 /nfs/dbraw/zinc/89/07/71/1092890771.db2.gz FWZLTPIWFNOUPZ-UHFFFAOYSA-N -1 1 368.260 4.415 20 0 FIADMM COc1cc(C(=O)NCc2ccc(-c3ccncc3)cc2)cc(Cl)c1[O-] ZINC000442964691 1092893391 /nfs/dbraw/zinc/89/33/91/1092893391.db2.gz HGGYIELPQUCFRN-UHFFFAOYSA-N -1 1 368.820 4.046 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc(Cl)c1[O-] ZINC000442967319 1092894188 /nfs/dbraw/zinc/89/41/88/1092894188.db2.gz PQICBKFWRCMJSX-NSHDSACASA-N -1 1 372.808 4.200 20 0 FIADMM CCCOc1cc(F)ccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443049969 1092918058 /nfs/dbraw/zinc/91/80/58/1092918058.db2.gz MCAHMRJGJUXWQM-UHFFFAOYSA-N -1 1 353.777 4.234 20 0 FIADMM COc1cc(C(=O)NCc2ccc(C)cc2SC)cc(Cl)c1[O-] ZINC000443069309 1092926994 /nfs/dbraw/zinc/92/69/94/1092926994.db2.gz JMSAHYNJDGBYST-UHFFFAOYSA-N -1 1 351.855 4.015 20 0 FIADMM C[C@H]1CCc2c(sc3nc(-c4ccnc(N5CCCC5)c4)[n-]c(=O)c32)C1 ZINC000614106032 1092932683 /nfs/dbraw/zinc/93/26/83/1092932683.db2.gz SFKSXDIRLYXERM-LBPRGKRZSA-N -1 1 366.490 4.184 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cn1 ZINC000509765374 1092947718 /nfs/dbraw/zinc/94/77/18/1092947718.db2.gz FUCAFFCIRYDNKV-ZCFIWIBFSA-N -1 1 371.698 4.143 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1C ZINC000521901244 1092962896 /nfs/dbraw/zinc/96/28/96/1092962896.db2.gz ABQKIMCYVKERBL-UHFFFAOYSA-N -1 1 358.507 4.321 20 0 FIADMM CCOc1cc(-c2nc(Cc3csc(CC)n3)no2)cc(Cl)c1[O-] ZINC000443215385 1092986915 /nfs/dbraw/zinc/98/69/15/1092986915.db2.gz NQQDYAVOBYKLNX-UHFFFAOYSA-N -1 1 365.842 4.104 20 0 FIADMM COc1cc(-c2nc(COc3ccc(Cl)cc3)no2)cc(Cl)c1[O-] ZINC000443210596 1092993374 /nfs/dbraw/zinc/99/33/74/1092993374.db2.gz ISJHEHJGWMYHHT-UHFFFAOYSA-N -1 1 367.188 4.337 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000443308857 1093045864 /nfs/dbraw/zinc/04/58/64/1093045864.db2.gz DRKLXGJXIMWJTB-MEDUHNTESA-N -1 1 363.816 4.417 20 0 FIADMM C[C@H]1C[C@H]1c1ccc(CN(CCOc2ccccc2C(=O)[O-])C2CC2)o1 ZINC000575809712 1093048473 /nfs/dbraw/zinc/04/84/73/1093048473.db2.gz DZZNNQUFGBOAJN-KBXCAEBGSA-N -1 1 355.434 4.145 20 0 FIADMM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cc(Cl)sc1Cl ZINC000522054913 1093059934 /nfs/dbraw/zinc/05/99/34/1093059934.db2.gz UALMQZBPIKUUFR-SNVBAGLBSA-N -1 1 362.303 4.063 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c1 ZINC000443400921 1093105044 /nfs/dbraw/zinc/10/50/44/1093105044.db2.gz SJKMTMAHAZWOSX-UHFFFAOYSA-N -1 1 374.487 4.318 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000443404793 1093107023 /nfs/dbraw/zinc/10/70/23/1093107023.db2.gz HIBPOYXNKLWPGA-UHFFFAOYSA-N -1 1 373.396 4.381 20 0 FIADMM CC[C@]1(C)Oc2ccc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)cc2O1 ZINC000443556590 1093265059 /nfs/dbraw/zinc/26/50/59/1093265059.db2.gz FZSIIEHHYNRMAE-GOSISDBHSA-N -1 1 363.797 4.204 20 0 FIADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Br)cc2[O-])s1 ZINC000094124589 1093311588 /nfs/dbraw/zinc/31/15/88/1093311588.db2.gz UMYBKZLPGJVJAL-SECBINFHSA-N -1 1 369.284 4.061 20 0 FIADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000433175484 1093368332 /nfs/dbraw/zinc/36/83/32/1093368332.db2.gz PTXZPBKOICGLEI-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CC(C)Oc1ccc(N(C)C(=O)c2cc(Br)ccc2[O-])cc1 ZINC000191597534 1093485620 /nfs/dbraw/zinc/48/56/20/1093485620.db2.gz MXABEOQTUJMUIS-UHFFFAOYSA-N -1 1 364.239 4.219 20 0 FIADMM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(C[NH+](C)C)c1 ZINC000114054193 1093529253 /nfs/dbraw/zinc/52/92/53/1093529253.db2.gz OJAAQIZHNKHAFN-UHFFFAOYSA-N -1 1 373.305 4.164 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000576439590 1093830794 /nfs/dbraw/zinc/83/07/94/1093830794.db2.gz GRKDZDQJRFYGHE-UHFFFAOYSA-N -1 1 353.871 4.411 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)cc(Cl)c1[O-] ZINC000473511673 1093899911 /nfs/dbraw/zinc/89/99/11/1093899911.db2.gz IIQRQJZJLJLRBI-CQSZACIVSA-N -1 1 359.853 4.301 20 0 FIADMM CC1(C)CCC(C)(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC001212179581 1094006894 /nfs/dbraw/zinc/00/68/94/1094006894.db2.gz FKLRVXACLUQLLR-UHFFFAOYSA-N -1 1 353.459 4.457 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccccc3C(C)(C)C)c2C)o1 ZINC000433598541 1094008858 /nfs/dbraw/zinc/00/88/58/1094008858.db2.gz GHGSVFNRZJRPDY-UHFFFAOYSA-N -1 1 373.478 4.385 20 0 FIADMM Cc1cccc2sc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c(Cl)c21 ZINC000026251975 1094157165 /nfs/dbraw/zinc/15/71/65/1094157165.db2.gz QTCCLRJBKJVCRZ-UHFFFAOYSA-N -1 1 360.748 4.252 20 0 FIADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)c(C)c1 ZINC000473532701 1094234386 /nfs/dbraw/zinc/23/43/86/1094234386.db2.gz MYUYJJJEMCRBQP-HNNXBMFYSA-N -1 1 374.278 4.401 20 0 FIADMM COC(=O)c1[n-]c(=N[C@@H]2CCc3c2ccc(Cl)c3Cl)sc1C ZINC000434102897 1094378523 /nfs/dbraw/zinc/37/85/23/1094378523.db2.gz VMFPNZMARATYQW-LLVKDONJSA-N -1 1 357.262 4.066 20 0 FIADMM CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CC(C)(C)C1 ZINC000840538752 1094586953 /nfs/dbraw/zinc/58/69/53/1094586953.db2.gz QWNYGWVLXOWGQQ-UHFFFAOYSA-N -1 1 362.470 4.390 20 0 FIADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000414444121 1094791085 /nfs/dbraw/zinc/79/10/85/1094791085.db2.gz UDRUQTQHNGMVJU-UHFFFAOYSA-N -1 1 368.861 4.189 20 0 FIADMM COc1ccc2cccc(CC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2c1 ZINC000513719651 1094834902 /nfs/dbraw/zinc/83/49/02/1094834902.db2.gz XQJNPONNWFRJIZ-UHFFFAOYSA-N -1 1 373.412 4.125 20 0 FIADMM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000513719054 1094843825 /nfs/dbraw/zinc/84/38/25/1094843825.db2.gz TUPKYPURZYBDDU-LBPRGKRZSA-N -1 1 355.825 4.253 20 0 FIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000042090791 1095077561 /nfs/dbraw/zinc/07/75/61/1095077561.db2.gz ODWHTTGTDCJGIM-UHFFFAOYSA-N -1 1 362.414 4.421 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC3CCCCC3)cc2)c1 ZINC000522564754 1095139616 /nfs/dbraw/zinc/13/96/16/1095139616.db2.gz IXRAAXYHTGZJIP-UHFFFAOYSA-N -1 1 368.433 4.314 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1cccc(Cl)c1 ZINC000522828378 1095751619 /nfs/dbraw/zinc/75/16/19/1095751619.db2.gz GYFNJBARIIEYDF-ZETCQYMHSA-N -1 1 362.760 4.218 20 0 FIADMM CCOc1ccc(C(C)=O)cc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000522828656 1095754709 /nfs/dbraw/zinc/75/47/09/1095754709.db2.gz TVZVVYTVMRQWON-UHFFFAOYSA-N -1 1 372.368 4.095 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)c1 ZINC000444289432 1095928842 /nfs/dbraw/zinc/92/88/42/1095928842.db2.gz PWXTXFOLYSPEQL-GHMZBOCLSA-N -1 1 368.271 4.043 20 0 FIADMM CN(CCC(=O)[O-])Cc1c(Cl)cccc1OCc1ccccc1Cl ZINC000414688850 1096475969 /nfs/dbraw/zinc/47/59/69/1096475969.db2.gz YTFNIMKEBXFWDM-UHFFFAOYSA-N -1 1 368.260 4.479 20 0 FIADMM CCOc1cc(C(=O)N2CCc3cc(F)cc(C)c3C2)cc(Cl)c1[O-] ZINC000504178801 1096699434 /nfs/dbraw/zinc/69/94/34/1096699434.db2.gz QPXNUFSDZVAANP-UHFFFAOYSA-N -1 1 363.816 4.090 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000436028963 1098654829 /nfs/dbraw/zinc/65/48/29/1098654829.db2.gz QMANGDJNPLBAPE-UHFFFAOYSA-N -1 1 353.534 4.115 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000436171106 1098772851 /nfs/dbraw/zinc/77/28/51/1098772851.db2.gz CJBIOIGIYVLDRZ-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000436254297 1098868457 /nfs/dbraw/zinc/86/84/57/1098868457.db2.gz RWZOGWNFLQRNSJ-SNVBAGLBSA-N -1 1 363.870 4.141 20 0 FIADMM O=C1[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCCN1c1ccccc1 ZINC000436520014 1099077969 /nfs/dbraw/zinc/07/79/69/1099077969.db2.gz BVSAQNCSQSRNQS-HNNXBMFYSA-N -1 1 369.808 4.006 20 0 FIADMM CCCC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436528239 1099084273 /nfs/dbraw/zinc/08/42/73/1099084273.db2.gz WSLALBSLAGEHLJ-UHFFFAOYSA-N -1 1 362.429 4.214 20 0 FIADMM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000436515991 1099091774 /nfs/dbraw/zinc/09/17/74/1099091774.db2.gz SUJVCJGNGFGTGA-SFHVURJKSA-N -1 1 351.780 4.204 20 0 FIADMM Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1C(=O)NC(C)C ZINC000436552721 1099098500 /nfs/dbraw/zinc/09/85/00/1099098500.db2.gz ABOZKPAHGWQDCK-UHFFFAOYSA-N -1 1 362.429 4.244 20 0 FIADMM CN(CCc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436555399 1099101235 /nfs/dbraw/zinc/10/12/35/1099101235.db2.gz NTOVFXZBJRUMAL-UHFFFAOYSA-N -1 1 368.658 4.123 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1cccc(Br)c1 ZINC000436559680 1099113847 /nfs/dbraw/zinc/11/38/47/1099113847.db2.gz YFQIAMWRSLRVLH-OAHLLOKOSA-N -1 1 364.214 4.271 20 0 FIADMM CN1CCCN(C(=O)c2cc3ccccc3cc2[O-])c2cc(F)ccc21 ZINC000436564862 1099117300 /nfs/dbraw/zinc/11/73/00/1099117300.db2.gz PQESLIXSMJAHLR-UHFFFAOYSA-N -1 1 350.393 4.171 20 0 FIADMM CCCCn1ncc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1C(C)C ZINC000436597613 1099128633 /nfs/dbraw/zinc/12/86/33/1099128633.db2.gz QNBXNXABQPOTBQ-UHFFFAOYSA-N -1 1 365.861 4.427 20 0 FIADMM CC(C)c1c(NC(=O)c2ccc(O)cc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436597232 1099128957 /nfs/dbraw/zinc/12/89/57/1099128957.db2.gz ULAFQJSFMWDTNA-UHFFFAOYSA-N -1 1 371.824 4.313 20 0 FIADMM CCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccc(Cl)cc1 ZINC000436597997 1099129203 /nfs/dbraw/zinc/12/92/03/1099129203.db2.gz XOLBIRFNYNQRLZ-UHFFFAOYSA-N -1 1 359.788 4.185 20 0 FIADMM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(C(C)C)cc3[O-])c2)n1 ZINC000436582633 1099132267 /nfs/dbraw/zinc/13/22/67/1099132267.db2.gz ITAFOEWTELPRFK-UHFFFAOYSA-N -1 1 364.449 4.025 20 0 FIADMM Cc1nc(-c2ccc(C)c(NC(=O)c3ccc4ccccc4c3[O-])c2)n[nH]1 ZINC000436581285 1099132443 /nfs/dbraw/zinc/13/24/43/1099132443.db2.gz ZKFMXZPZCWTJBS-UHFFFAOYSA-N -1 1 358.401 4.200 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000436585870 1099133496 /nfs/dbraw/zinc/13/34/96/1099133496.db2.gz AAJCPUXKOPLSNM-AWEZNQCLSA-N -1 1 366.642 4.395 20 0 FIADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436590080 1099136761 /nfs/dbraw/zinc/13/67/61/1099136761.db2.gz LXYGHTGYUUVEOL-HNNXBMFYSA-N -1 1 362.267 4.248 20 0 FIADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436635464 1099164568 /nfs/dbraw/zinc/16/45/68/1099164568.db2.gz NWXOTCYNOBGZCJ-UHFFFAOYSA-N -1 1 360.457 4.418 20 0 FIADMM COc1cc(-c2noc([C@H]3CC[C@H](C)C3)n2)cc(Br)c1[O-] ZINC000445394262 1099176123 /nfs/dbraw/zinc/17/61/23/1099176123.db2.gz RVMNKWUXUGIWKG-IUCAKERBSA-N -1 1 353.216 4.117 20 0 FIADMM Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436664904 1099194393 /nfs/dbraw/zinc/19/43/93/1099194393.db2.gz MLIANPOITVNMTO-UHFFFAOYSA-N -1 1 351.740 4.420 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436668006 1099196974 /nfs/dbraw/zinc/19/69/74/1099196974.db2.gz VMMMQUGAJKFSMG-KRWDZBQOSA-N -1 1 371.305 4.261 20 0 FIADMM Cc1cccc(Oc2ncccc2NC(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436670532 1099200853 /nfs/dbraw/zinc/20/08/53/1099200853.db2.gz FHFTVTDWHMQGOK-UHFFFAOYSA-N -1 1 362.385 4.018 20 0 FIADMM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(O)cc1[O-] ZINC000436674286 1099205882 /nfs/dbraw/zinc/20/58/82/1099205882.db2.gz UZVBLFMLBOQWNS-UHFFFAOYSA-N -1 1 360.369 4.082 20 0 FIADMM [O-]c1ccc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)c(F)c1 ZINC000436686586 1099220610 /nfs/dbraw/zinc/22/06/10/1099220610.db2.gz FIDMTPDIYBBKLB-UHFFFAOYSA-N -1 1 368.286 4.327 20 0 FIADMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000516148669 1099229285 /nfs/dbraw/zinc/22/92/85/1099229285.db2.gz VRJJLJMQZUHQSF-ZETCQYMHSA-N -1 1 356.321 4.026 20 0 FIADMM Cc1cccc(Oc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)c1C ZINC000436695435 1099230343 /nfs/dbraw/zinc/23/03/43/1099230343.db2.gz FJRMCPCCIFKZPI-UHFFFAOYSA-N -1 1 362.385 4.018 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@](F)(c2ccccc2F)C1 ZINC000436703919 1099238333 /nfs/dbraw/zinc/23/83/33/1099238333.db2.gz NCPYZJUAJXSGQT-OAQYLSRUSA-N -1 1 353.368 4.395 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC=C(c2ccccc2)C1 ZINC000436720197 1099251818 /nfs/dbraw/zinc/25/18/18/1099251818.db2.gz CTGXDSRYUKWVLT-UHFFFAOYSA-N -1 1 358.235 4.084 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c([O-])c1 ZINC000436730462 1099267329 /nfs/dbraw/zinc/26/73/29/1099267329.db2.gz WUUJNNMEYDWKNH-UHFFFAOYSA-N -1 1 350.374 4.149 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CCC(F)(F)F)CC1CC1 ZINC000436751145 1099285111 /nfs/dbraw/zinc/28/51/11/1099285111.db2.gz JIEJHLKCXPGCET-UHFFFAOYSA-N -1 1 355.278 4.216 20 0 FIADMM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000436753089 1099286581 /nfs/dbraw/zinc/28/65/81/1099286581.db2.gz ZWCQOEDLKAKQJV-CQSZACIVSA-N -1 1 361.825 4.246 20 0 FIADMM O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2ccccc2c1[O-] ZINC000436752372 1099286838 /nfs/dbraw/zinc/28/68/38/1099286838.db2.gz AZTXWGXEFBELLE-UHFFFAOYSA-N -1 1 360.413 4.034 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000436752161 1099287222 /nfs/dbraw/zinc/28/72/22/1099287222.db2.gz QMTXCFGGKVZEIQ-LBPRGKRZSA-N -1 1 353.315 4.180 20 0 FIADMM CCOc1cc(-c2noc(/C=C/C3CCC3)n2)cc(Br)c1[O-] ZINC000436771528 1099294025 /nfs/dbraw/zinc/29/40/25/1099294025.db2.gz WLCZLHLKHSTIMB-VOTSOKGWSA-N -1 1 365.227 4.417 20 0 FIADMM CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1Cl ZINC000436768649 1099310259 /nfs/dbraw/zinc/31/02/59/1099310259.db2.gz XMLQWEAPJLWCEZ-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436795726 1099327500 /nfs/dbraw/zinc/32/75/00/1099327500.db2.gz ZYTPEFOEBZZQIA-UHFFFAOYSA-N -1 1 365.351 4.403 20 0 FIADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069651517 1099333836 /nfs/dbraw/zinc/33/38/36/1099333836.db2.gz IWPCVJVMNGLIJY-APWZRJJASA-N -1 1 361.445 4.134 20 0 FIADMM CO[C@H]1CCOc2c(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cccc21 ZINC000436810310 1099338070 /nfs/dbraw/zinc/33/80/70/1099338070.db2.gz XJHUXONAZLHRTO-HNNXBMFYSA-N -1 1 367.323 4.133 20 0 FIADMM Cc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccccc1C(C)C ZINC000436854970 1099355022 /nfs/dbraw/zinc/35/50/22/1099355022.db2.gz GYRFUFYSRXJFER-UHFFFAOYSA-N -1 1 370.840 4.310 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000436854358 1099357232 /nfs/dbraw/zinc/35/72/32/1099357232.db2.gz RYBADLQLRLSESC-AWEZNQCLSA-N -1 1 360.251 4.175 20 0 FIADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Cl)cc1[O-] ZINC000436864333 1099374675 /nfs/dbraw/zinc/37/46/75/1099374675.db2.gz NOWYPXNQIBMIBI-GOSISDBHSA-N -1 1 356.784 4.099 20 0 FIADMM Cn1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(-c2cccs2)n1 ZINC000436868648 1099380188 /nfs/dbraw/zinc/38/01/88/1099380188.db2.gz BCLNBKITJMBYLF-UHFFFAOYSA-N -1 1 358.810 4.225 20 0 FIADMM [O-]c1ccc(-c2noc(C3(CCOCc4ccccc4)CC3)n2)c(F)c1 ZINC000436870733 1099381832 /nfs/dbraw/zinc/38/18/32/1099381832.db2.gz FMAQKBHMAQTHPQ-UHFFFAOYSA-N -1 1 354.381 4.220 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H](C)CC)n2)cc(Br)c1[O-] ZINC000436871709 1099383870 /nfs/dbraw/zinc/38/38/70/1099383870.db2.gz KORMQUMARVPQSW-VIFPVBQESA-N -1 1 355.232 4.192 20 0 FIADMM COc1cc(-c2noc([C@@H](C)CC(C)C)n2)cc(Br)c1[O-] ZINC000436874107 1099384273 /nfs/dbraw/zinc/38/42/73/1099384273.db2.gz PHTHUIYCBTYAGT-VIFPVBQESA-N -1 1 355.232 4.363 20 0 FIADMM CCOc1cc(-c2noc(-c3cnc4cnccc4c3)n2)cc(Cl)c1[O-] ZINC000436872406 1099384333 /nfs/dbraw/zinc/38/43/33/1099384333.db2.gz MQWFUTYUBGGKBI-UHFFFAOYSA-N -1 1 368.780 4.105 20 0 FIADMM CCc1onc(-c2ccccc2)c1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436872423 1099384513 /nfs/dbraw/zinc/38/45/13/1099384513.db2.gz KPRFYJYDLZLGQW-UHFFFAOYSA-N -1 1 351.337 4.466 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(F)ccc3-n3cccn3)n2)c(Cl)c1 ZINC000436875196 1099386489 /nfs/dbraw/zinc/38/64/89/1099386489.db2.gz XGBVKJDKKYQQFM-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccnc(-c4ccc(Cl)cc4)n3)n2)c(F)c1 ZINC000436875601 1099389345 /nfs/dbraw/zinc/38/93/45/1099389345.db2.gz UYXFGKMSMLFDJE-UHFFFAOYSA-N -1 1 368.755 4.359 20 0 FIADMM O=C(c1cccs1)N1CCCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880586 1099397795 /nfs/dbraw/zinc/39/77/95/1099397795.db2.gz RUTFLRGWORXTAT-AWEZNQCLSA-N -1 1 373.409 4.010 20 0 FIADMM O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccc([O-])cc1F ZINC000436880328 1099398232 /nfs/dbraw/zinc/39/82/32/1099398232.db2.gz NOJHNCPYVZUETN-IBGZPJMESA-N -1 1 369.367 4.221 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H](c3ccc(C)cc3)C(C)C)no2)c1 ZINC000436883623 1099400436 /nfs/dbraw/zinc/40/04/36/1099400436.db2.gz GVWUKQJLBCTIAV-LJQANCHMSA-N -1 1 365.433 4.497 20 0 FIADMM O=C(NC1(c2cccc(Br)c2)CCC1)c1ccc([O-])cc1F ZINC000436882455 1099400787 /nfs/dbraw/zinc/40/07/87/1099400787.db2.gz ZEWCRCIDFLINMR-UHFFFAOYSA-N -1 1 364.214 4.103 20 0 FIADMM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000436894313 1099411221 /nfs/dbraw/zinc/41/12/21/1099411221.db2.gz QNPQMAWIGLDSJP-UHFFFAOYSA-N -1 1 364.376 4.064 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000436931404 1099429840 /nfs/dbraw/zinc/42/98/40/1099429840.db2.gz BUHVPDVCJCQNFN-HSZRJFAPSA-N -1 1 359.425 4.155 20 0 FIADMM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436931882 1099429903 /nfs/dbraw/zinc/42/99/03/1099429903.db2.gz MYLHISBOWIARHK-UHFFFAOYSA-N -1 1 363.413 4.248 20 0 FIADMM O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc2ccccc2c1[O-] ZINC000436916271 1099431546 /nfs/dbraw/zinc/43/15/46/1099431546.db2.gz VMSYTEXIPAYHIW-UHFFFAOYSA-N -1 1 360.413 4.315 20 0 FIADMM Cc1cc([C@@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCO2)ccc1F ZINC000436914470 1099431611 /nfs/dbraw/zinc/43/16/11/1099431611.db2.gz JKRVAKFXIIWQFB-FQEVSTJZSA-N -1 1 365.404 4.207 20 0 FIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc2ccccc21 ZINC000436915805 1099431620 /nfs/dbraw/zinc/43/16/20/1099431620.db2.gz QJCXNDKEBITUHA-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc2ccccc21 ZINC000436915805 1099431625 /nfs/dbraw/zinc/43/16/25/1099431625.db2.gz QJCXNDKEBITUHA-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4[nH]c(C)c(C)c4c3)no2)c1 ZINC000436916644 1099433665 /nfs/dbraw/zinc/43/36/65/1099433665.db2.gz AODNMQHQIOXHFW-UHFFFAOYSA-N -1 1 362.389 4.166 20 0 FIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(O)cc4C)nc(=O)c3s2)cc1 ZINC000436923789 1099438331 /nfs/dbraw/zinc/43/83/31/1099438331.db2.gz UPIGXAAGYWJDDF-UHFFFAOYSA-N -1 1 364.426 4.341 20 0 FIADMM COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436932666 1099446525 /nfs/dbraw/zinc/44/65/25/1099446525.db2.gz QCBMAZNVZIAUTO-UHFFFAOYSA-N -1 1 363.413 4.248 20 0 FIADMM CCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4cc3[O-])ccc21 ZINC000436934689 1099447777 /nfs/dbraw/zinc/44/77/77/1099447777.db2.gz YOHFOLPXQBVVES-UHFFFAOYSA-N -1 1 360.413 4.097 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436943816 1099455200 /nfs/dbraw/zinc/45/52/00/1099455200.db2.gz HFPDEGLQYAJYKX-UONOGXRCSA-N -1 1 374.278 4.481 20 0 FIADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436967217 1099463780 /nfs/dbraw/zinc/46/37/80/1099463780.db2.gz OVEYFRMVSWISIV-FQEVSTJZSA-N -1 1 357.413 4.130 20 0 FIADMM C[C@H](c1noc(-c2cc(F)ccc2[O-])n1)c1ccc(Br)cc1 ZINC000436966082 1099464987 /nfs/dbraw/zinc/46/49/87/1099464987.db2.gz UTLTXZLTCNVZOU-VIFPVBQESA-N -1 1 363.186 4.496 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C(C)(F)F)cc3)no2)c1 ZINC000436955478 1099473572 /nfs/dbraw/zinc/47/35/72/1099473572.db2.gz GKFQBCQORFTKSQ-UHFFFAOYSA-N -1 1 359.332 4.179 20 0 FIADMM CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c([O-])c1 ZINC000436972159 1099477422 /nfs/dbraw/zinc/47/74/22/1099477422.db2.gz MVERWAYVEKBXFP-UHFFFAOYSA-N -1 1 368.433 4.098 20 0 FIADMM CCCOc1c(Cl)cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1OCC ZINC000263088996 1099761716 /nfs/dbraw/zinc/76/17/16/1099761716.db2.gz ADEIUTLODHYZQD-HIFRSBDPSA-N -1 1 369.889 4.213 20 0 FIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000437397770 1099886034 /nfs/dbraw/zinc/88/60/34/1099886034.db2.gz VFNJCZGMUVLNMW-UHFFFAOYSA-N -1 1 369.490 4.185 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000437526805 1099970056 /nfs/dbraw/zinc/97/00/56/1099970056.db2.gz JPQHZWHOOIIXSD-NNUKFRKNSA-N -1 1 363.816 4.259 20 0 FIADMM CC1=C(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000437914514 1100311295 /nfs/dbraw/zinc/31/12/95/1100311295.db2.gz JTRSAIVJDCUJTK-UHFFFAOYSA-N -1 1 370.474 4.235 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000517761866 1100646926 /nfs/dbraw/zinc/64/69/26/1100646926.db2.gz XTUVHBAGMKNLQS-IBGZPJMESA-N -1 1 363.816 4.155 20 0 FIADMM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000426087587 1100809489 /nfs/dbraw/zinc/80/94/89/1100809489.db2.gz FMDRLCQYTYLUDH-MRXNPFEDSA-N -1 1 352.768 4.300 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438720201 1100882147 /nfs/dbraw/zinc/88/21/47/1100882147.db2.gz GFYHQSVHJHMHPX-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1 ZINC000438719589 1100882387 /nfs/dbraw/zinc/88/23/87/1100882387.db2.gz UMGIDQFZSRNYIS-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000438720759 1100883802 /nfs/dbraw/zinc/88/38/02/1100883802.db2.gz BSQYILTVALNYRZ-UHFFFAOYSA-N -1 1 359.369 4.043 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000438725363 1100887003 /nfs/dbraw/zinc/88/70/03/1100887003.db2.gz QGKFZINLCSHHPG-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1Br ZINC000438787869 1100916690 /nfs/dbraw/zinc/91/66/90/1100916690.db2.gz WTOTVXXOWIGGLJ-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C(c1csc(=NC2CC2)[n-]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000426218779 1101006350 /nfs/dbraw/zinc/00/63/50/1101006350.db2.gz USIZFPXKPDJGQE-UHFFFAOYSA-N -1 1 363.486 4.097 20 0 FIADMM O=C(Nc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1)c1cccs1 ZINC000438920422 1101021601 /nfs/dbraw/zinc/02/16/01/1101021601.db2.gz QOPYTZYJBAHRCL-UHFFFAOYSA-N -1 1 374.368 4.237 20 0 FIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1 ZINC000536905343 1101329137 /nfs/dbraw/zinc/32/91/37/1101329137.db2.gz NQGWORUBRKONAC-UHFFFAOYSA-N -1 1 372.446 4.293 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000536992014 1101374518 /nfs/dbraw/zinc/37/45/18/1101374518.db2.gz MQNZBOZQAJQZSK-UHFFFAOYSA-N -1 1 373.396 4.129 20 0 FIADMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1c(F)ccc([O-])c1F ZINC000537262803 1101606627 /nfs/dbraw/zinc/60/66/27/1101606627.db2.gz IFULXFIPZJWGLS-VIFPVBQESA-N -1 1 359.294 4.050 20 0 FIADMM CC(C)n1c(=S)[n-]nc1[C@H]1CCCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000081719895 1101699594 /nfs/dbraw/zinc/69/95/94/1101699594.db2.gz CEYKPSMTJIGMHG-ZDUSSCGKSA-N -1 1 369.494 4.023 20 0 FIADMM COc1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000460211980 1101744476 /nfs/dbraw/zinc/74/44/76/1101744476.db2.gz ORFXHPOUADNTKV-PBHICJAKSA-N -1 1 359.853 4.195 20 0 FIADMM O=C(Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1)c1cncc([O-])c1 ZINC000518987836 1101787055 /nfs/dbraw/zinc/78/70/55/1101787055.db2.gz LCPQTAFCODGDJF-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)[nH]nc1C1CC1 ZINC000760322194 1101911470 /nfs/dbraw/zinc/91/14/70/1101911470.db2.gz XKAVTZWPILJUOC-UHFFFAOYSA-N -1 1 353.447 4.063 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000392914107 1101923453 /nfs/dbraw/zinc/92/34/53/1101923453.db2.gz UNFXMPJZDHTEHH-UHFFFAOYSA-N -1 1 372.471 4.204 20 0 FIADMM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1cccc(C(F)(F)F)c1 ZINC000439977119 1101944802 /nfs/dbraw/zinc/94/48/02/1101944802.db2.gz FMPNEXUBVMGYIF-UHFFFAOYSA-N -1 1 367.348 4.365 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000475827032 1102025578 /nfs/dbraw/zinc/02/55/78/1102025578.db2.gz BYMXPNJOCQWXIR-UHFFFAOYSA-N -1 1 355.818 4.181 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1C ZINC000032595227 1102046989 /nfs/dbraw/zinc/04/69/89/1102046989.db2.gz FYFNROMWGVDREC-UHFFFAOYSA-N -1 1 360.435 4.069 20 0 FIADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897893387 1102145723 /nfs/dbraw/zinc/14/57/23/1102145723.db2.gz YLWOTSLLUMFTFP-ZYHUDNBSSA-N -1 1 353.340 4.054 20 0 FIADMM O=C(Nc1cc(F)cc(F)c1[O-])c1oc2ccccc2c1Br ZINC001142546128 1102188126 /nfs/dbraw/zinc/18/81/26/1102188126.db2.gz QUDKOFUGUDONRO-UHFFFAOYSA-N -1 1 368.133 4.431 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N3CCCC4(C3)CCCCCC4)cnc2n1 ZINC000440333748 1102203777 /nfs/dbraw/zinc/20/37/77/1102203777.db2.gz SMTDQVMGBCFRNN-UHFFFAOYSA-N -1 1 353.466 4.220 20 0 FIADMM Cc1ccc2c(=O)c(C(=O)N3CCCC4(C3)CCCCCC4)c[n-]c2n1 ZINC000440333748 1102203784 /nfs/dbraw/zinc/20/37/84/1102203784.db2.gz SMTDQVMGBCFRNN-UHFFFAOYSA-N -1 1 353.466 4.220 20 0 FIADMM Cc1ccc(OCc2nc(CNCCCC(C)(C)C(=O)[O-])cs2)cc1 ZINC000426652364 1102259584 /nfs/dbraw/zinc/25/95/84/1102259584.db2.gz SPJXHNHUIQFHMM-UHFFFAOYSA-N -1 1 362.495 4.011 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1C ZINC000614819509 1102299536 /nfs/dbraw/zinc/29/95/36/1102299536.db2.gz FERCMFAQJMGGIQ-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1cccs1)C1CC1 ZINC000121882689 1102491428 /nfs/dbraw/zinc/49/14/28/1102491428.db2.gz RACOJRYWYGTKIT-UHFFFAOYSA-N -1 1 352.253 4.021 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c2ccccc12 ZINC000476605225 1102535763 /nfs/dbraw/zinc/53/57/63/1102535763.db2.gz YNPDKPRHNJJKNK-UHFFFAOYSA-N -1 1 368.458 4.216 20 0 FIADMM C[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(F)c1 ZINC000116441663 1102555093 /nfs/dbraw/zinc/55/50/93/1102555093.db2.gz MUSOXXMJPXVPJM-HNNXBMFYSA-N -1 1 369.436 4.146 20 0 FIADMM Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)cn1 ZINC000532621175 1102596385 /nfs/dbraw/zinc/59/63/85/1102596385.db2.gz JEKSCTOWQAXGNN-UHFFFAOYSA-N -1 1 352.365 4.066 20 0 FIADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000536542526 1102693062 /nfs/dbraw/zinc/69/30/62/1102693062.db2.gz ZESGQPKEPUFUOH-JTQLQIEISA-N -1 1 364.214 4.053 20 0 FIADMM CCc1c([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)onc1C(F)(F)F ZINC000476687035 1102708666 /nfs/dbraw/zinc/70/86/66/1102708666.db2.gz ADBDTJUMHSNJOV-UHFFFAOYSA-N -1 1 365.311 4.472 20 0 FIADMM Cc1nc(CNCc2ccc(-c3ccc(C)cc3)s2)sc1C(=O)[O-] ZINC000426672986 1102860748 /nfs/dbraw/zinc/86/07/48/1102860748.db2.gz VFDARCQQMPDTKC-UHFFFAOYSA-N -1 1 358.488 4.476 20 0 FIADMM O=C([O-])c1ccc(CNCc2cc(Br)c(Cl)s2)cc1 ZINC000426699829 1102929471 /nfs/dbraw/zinc/92/94/71/1102929471.db2.gz MYPYXQVSYNSKIU-UHFFFAOYSA-N -1 1 360.660 4.152 20 0 FIADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@@H](C)c1cc2ccccc2o1 ZINC000476904972 1102938026 /nfs/dbraw/zinc/93/80/26/1102938026.db2.gz HJESFWZZZYDNAL-LBPRGKRZSA-N -1 1 355.463 4.109 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1ccc(Br)cc1Cl ZINC000426709235 1102946058 /nfs/dbraw/zinc/94/60/58/1102946058.db2.gz QDKNVROMYJZRJZ-UHFFFAOYSA-N -1 1 368.658 4.019 20 0 FIADMM Cc1cc(F)ccc1-c1ccc(CNCc2ccccc2CC(=O)[O-])o1 ZINC000426709945 1102946109 /nfs/dbraw/zinc/94/61/09/1102946109.db2.gz SXBDYZRWMGBKAQ-UHFFFAOYSA-N -1 1 353.393 4.311 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000426746427 1102965354 /nfs/dbraw/zinc/96/53/54/1102965354.db2.gz YGJAIFDUZBGGQZ-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM CC(C)(C)c1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])s1 ZINC000426758934 1102973499 /nfs/dbraw/zinc/97/34/99/1102973499.db2.gz UTEQZSPBDWBIER-QGZVFWFLSA-N -1 1 372.534 4.041 20 0 FIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(C)c(Br)s2)o1 ZINC000426769295 1102977671 /nfs/dbraw/zinc/97/76/71/1102977671.db2.gz HQPCSAWUIHGFGE-LLVKDONJSA-N -1 1 358.257 4.026 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(Cl)cc2c1OCC2)c1cccc(Cl)c1 ZINC000426806055 1102987876 /nfs/dbraw/zinc/98/78/76/1102987876.db2.gz IBVHSEPGVQGZRI-INIZCTEOSA-N -1 1 366.244 4.234 20 0 FIADMM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(Cl)c1 ZINC000426806878 1102989470 /nfs/dbraw/zinc/98/94/70/1102989470.db2.gz LMVKKHVFUZZIIE-MRXNPFEDSA-N -1 1 354.233 4.308 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1F ZINC000426795184 1102995173 /nfs/dbraw/zinc/99/51/73/1102995173.db2.gz WYWAMZWNAUOSOG-AWEZNQCLSA-N -1 1 361.722 4.413 20 0 FIADMM Cc1cc([C@H](NCc2csc(Br)c2)C(=O)[O-])ccc1Cl ZINC000426797934 1102997028 /nfs/dbraw/zinc/99/70/28/1102997028.db2.gz GUIOHJNXMAKRCG-ZDUSSCGKSA-N -1 1 374.687 4.388 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000426811521 1103006259 /nfs/dbraw/zinc/00/62/59/1103006259.db2.gz MWJLLNRGQMTUTB-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])C[C@H](NCc1csc(Br)c1)c1cccc(Cl)c1 ZINC000426816015 1103010130 /nfs/dbraw/zinc/01/01/30/1103010130.db2.gz ILLWGXTVGNROHS-LBPRGKRZSA-N -1 1 374.687 4.470 20 0 FIADMM CC(C)COc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426826194 1103025470 /nfs/dbraw/zinc/02/54/70/1103025470.db2.gz OAENTQAWXSSWQP-IBGZPJMESA-N -1 1 363.404 4.305 20 0 FIADMM CC(C)COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000426834056 1103044807 /nfs/dbraw/zinc/04/48/07/1103044807.db2.gz NITRYFKCFLGBCY-IBGZPJMESA-N -1 1 363.404 4.305 20 0 FIADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc1 ZINC000760268250 1103076597 /nfs/dbraw/zinc/07/65/97/1103076597.db2.gz MECOSCHZVQWUTD-CMDGGOBGSA-N -1 1 369.437 4.198 20 0 FIADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H](C)C1(F)F ZINC000629364871 1103306021 /nfs/dbraw/zinc/30/60/21/1103306021.db2.gz QLNLDZZXVHERPZ-VYUIOLGVSA-N -1 1 352.208 4.342 20 0 FIADMM CCc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1C ZINC000477339920 1103380703 /nfs/dbraw/zinc/38/07/03/1103380703.db2.gz RTCSOMGYKGBTAG-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427322590 1103444067 /nfs/dbraw/zinc/44/40/67/1103444067.db2.gz TYESBGOQSMFGJM-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000507504308 1103446376 /nfs/dbraw/zinc/44/63/76/1103446376.db2.gz IULJDNPPSLDPHI-GHMZBOCLSA-N -1 1 366.346 4.004 20 0 FIADMM Cc1c(=O)[n-]c(SCCCC(=O)N2CCCCC2)nc1-c1ccccc1 ZINC000477408147 1103466669 /nfs/dbraw/zinc/46/66/69/1103466669.db2.gz WYRRZWOLLNXBOR-UHFFFAOYSA-N -1 1 371.506 4.042 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)cc(Cl)c1[O-] ZINC000477421289 1103476817 /nfs/dbraw/zinc/47/68/17/1103476817.db2.gz BBAKKBADVUDVFC-MRXNPFEDSA-N -1 1 363.816 4.391 20 0 FIADMM O=C([N-]c1ccccc1SC[C@@H]1CC1(Cl)Cl)c1csnn1 ZINC000133948113 1103508115 /nfs/dbraw/zinc/50/81/15/1103508115.db2.gz SDCOCQKNJSLCKL-QMMMGPOBSA-N -1 1 360.291 4.076 20 0 FIADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)CCC2 ZINC000477461746 1103525327 /nfs/dbraw/zinc/52/53/27/1103525327.db2.gz WUEGBKZQXUDNRW-NRFANRHFSA-N -1 1 360.457 4.459 20 0 FIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)c(Br)c1 ZINC000507674447 1103595247 /nfs/dbraw/zinc/59/52/47/1103595247.db2.gz HTJFPZNJDVEORV-ZETCQYMHSA-N -1 1 374.156 4.063 20 0 FIADMM CCc1nc(S[C@H](Cc2ccc(Cl)cc2F)C(C)=O)[n-]c(=O)c1C ZINC000519713451 1103813659 /nfs/dbraw/zinc/81/36/59/1103813659.db2.gz QMZXRYRBXWKZIQ-OAHLLOKOSA-N -1 1 368.861 4.138 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(-n2cccn2)cc1 ZINC000440818629 1103964583 /nfs/dbraw/zinc/96/45/83/1103964583.db2.gz AKZRWAKUYPASRX-HNNXBMFYSA-N -1 1 357.413 4.222 20 0 FIADMM CC[N@H+](C)[C@H](C(=O)Nc1ccc(O)c(C(F)(F)F)c1)c1ccccc1 ZINC000440988773 1104063288 /nfs/dbraw/zinc/06/32/88/1104063288.db2.gz RIFGBONMEZNHOM-INIZCTEOSA-N -1 1 352.356 4.043 20 0 FIADMM CCC(=C([O-])Nc1nc(-c2ccccc2Cl)ns1)c1ccccc1 ZINC000520320186 1104265067 /nfs/dbraw/zinc/26/50/67/1104265067.db2.gz ODYOQKXOCATFBC-ZDUSSCGKSA-N -1 1 357.866 4.413 20 0 FIADMM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc2ccccc2cc1[O-] ZINC000050474374 1104372118 /nfs/dbraw/zinc/37/21/18/1104372118.db2.gz CABWPEVELIKGPT-UHFFFAOYSA-N -1 1 374.440 4.310 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)c1 ZINC000102321024 1104390063 /nfs/dbraw/zinc/39/00/63/1104390063.db2.gz UXDKADBBOVAXSS-UHFFFAOYSA-N -1 1 372.471 4.122 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(-c2nc(C)co2)c1 ZINC000188478122 1104620346 /nfs/dbraw/zinc/62/03/46/1104620346.db2.gz PJCZPIRGDSIICR-UHFFFAOYSA-N -1 1 374.487 4.481 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000320434055 1105014036 /nfs/dbraw/zinc/01/40/36/1105014036.db2.gz BSZFNKLMTOZOGV-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM CCc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])o1 ZINC000417641758 1105042848 /nfs/dbraw/zinc/04/28/48/1105042848.db2.gz RSRNTCDGVCFPSC-MEDUHNTESA-N -1 1 366.255 4.156 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441711009 1105113386 /nfs/dbraw/zinc/11/33/86/1105113386.db2.gz DUMJLVNGNBIFEX-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ncccc2[O-])C1 ZINC000427751547 1105266860 /nfs/dbraw/zinc/26/68/60/1105266860.db2.gz FTRICNDKXGTMMM-RISCZKNCSA-N -1 1 350.340 4.029 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(Cl)c1)c1ccsc1 ZINC000507987428 1105289394 /nfs/dbraw/zinc/28/93/94/1105289394.db2.gz TWCJHVISFFFRHE-UHFFFAOYSA-N -1 1 371.789 4.143 20 0 FIADMM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000508100495 1105324452 /nfs/dbraw/zinc/32/44/52/1105324452.db2.gz GQLRXEPHYWAXRZ-UHFFFAOYSA-N -1 1 350.509 4.238 20 0 FIADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000428019652 1105341918 /nfs/dbraw/zinc/34/19/18/1105341918.db2.gz ZYEVWGRFVGAXPN-LSDHHAIUSA-N -1 1 364.367 4.214 20 0 FIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)c2C1 ZINC000450991405 1106857679 /nfs/dbraw/zinc/85/76/79/1106857679.db2.gz KJENOAMNSAPBCH-UHFFFAOYSA-N -1 1 356.491 4.089 20 0 FIADMM O=S(=O)([N-]c1cccc(C2CCOCC2)c1)c1ccc(C2CC2)cc1 ZINC000530146030 1106860808 /nfs/dbraw/zinc/86/08/08/1106860808.db2.gz YEEYYLONUZTFMW-UHFFFAOYSA-N -1 1 357.475 4.259 20 0 FIADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3C(C)C)c2)n1 ZINC000530324439 1106968151 /nfs/dbraw/zinc/96/81/51/1106968151.db2.gz GPLLGXJMWJNRER-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM Cc1ccc(Cl)c(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000301376157 1107009203 /nfs/dbraw/zinc/00/92/03/1107009203.db2.gz XOVXVCFYMZECTB-UHFFFAOYSA-N -1 1 352.781 4.275 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1Cl ZINC000451308960 1107016616 /nfs/dbraw/zinc/01/66/16/1107016616.db2.gz WESYRDWUDZEEJC-RKDXNWHRSA-N -1 1 361.838 4.049 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCc4ccc(F)cc43)nc2)[n-]c(=O)c1C ZINC000301400250 1107017927 /nfs/dbraw/zinc/01/79/27/1107017927.db2.gz PRRMACPONIMNNQ-KRWDZBQOSA-N -1 1 350.397 4.100 20 0 FIADMM Cc1nc(-c2ccc(NCc3coc(-c4ccccc4)n3)nc2)[n-]c(=O)c1C ZINC000301413107 1107023904 /nfs/dbraw/zinc/02/39/04/1107023904.db2.gz LCZDZCKJXSXKBZ-UHFFFAOYSA-N -1 1 373.416 4.128 20 0 FIADMM CCOCCC1(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451339880 1107043250 /nfs/dbraw/zinc/04/32/50/1107043250.db2.gz AUISYKQRYJGNRF-UHFFFAOYSA-N -1 1 373.927 4.040 20 0 FIADMM CC[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccc(OC)cc1 ZINC000301536959 1107062226 /nfs/dbraw/zinc/06/22/26/1107062226.db2.gz RBZVFKKWUMSLCJ-SFHVURJKSA-N -1 1 364.449 4.433 20 0 FIADMM COCc1cc(-c2nc(=O)c3c(-c4ccc(C)cc4C)csc3[n-]2)no1 ZINC000487481257 1107274128 /nfs/dbraw/zinc/27/41/28/1107274128.db2.gz CTMUPHATAPGIRU-UHFFFAOYSA-N -1 1 367.430 4.482 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000530748572 1107297103 /nfs/dbraw/zinc/29/71/03/1107297103.db2.gz ZJNFXEARLAEGBQ-UHFFFAOYSA-N -1 1 365.260 4.189 20 0 FIADMM CC[C@H]1Cc2ccccc2CN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302201828 1107337255 /nfs/dbraw/zinc/33/72/55/1107337255.db2.gz HVGNCKWHHKTANQ-IBGZPJMESA-N -1 1 360.461 4.202 20 0 FIADMM OCC[C@@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)c1ccco1 ZINC000302225337 1107344005 /nfs/dbraw/zinc/34/40/05/1107344005.db2.gz RFNMVDGLZVAGNQ-GFCCVEGCSA-N -1 1 354.193 4.172 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1OCC ZINC000614752451 1107621051 /nfs/dbraw/zinc/62/10/51/1107621051.db2.gz ZHHNBEBFOFSVIQ-UHFFFAOYSA-N -1 1 369.870 4.247 20 0 FIADMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000614758558 1107648740 /nfs/dbraw/zinc/64/87/40/1107648740.db2.gz LDQRZRCKADAMGE-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM COCc1cc(-c2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(C)cc2)no1 ZINC000487488490 1107654469 /nfs/dbraw/zinc/65/44/69/1107654469.db2.gz VIWFYJKJCJMWDS-UHFFFAOYSA-N -1 1 367.430 4.482 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193502593 1107770503 /nfs/dbraw/zinc/77/05/03/1107770503.db2.gz RDMDUVZMRRSRKG-UHFFFAOYSA-N -1 1 367.779 4.007 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1Cl ZINC000614788563 1107772200 /nfs/dbraw/zinc/77/22/00/1107772200.db2.gz BOINQMZUJODFPS-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2cc(F)cc3cccnc32)[n-]1 ZINC000261416479 1107802172 /nfs/dbraw/zinc/80/21/72/1107802172.db2.gz XUFNPJZPYSGASW-UHFFFAOYSA-N -1 1 355.316 4.181 20 0 FIADMM Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cnn1C1CCCC1 ZINC000444440837 1107831791 /nfs/dbraw/zinc/83/17/91/1107831791.db2.gz CZWZAKHNWQTOPO-UHFFFAOYSA-N -1 1 353.344 4.283 20 0 FIADMM Cc1ccc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)cc1O ZINC000531582475 1107998985 /nfs/dbraw/zinc/99/89/85/1107998985.db2.gz BOLKNVCBDXMGHF-UHFFFAOYSA-N -1 1 352.390 4.472 20 0 FIADMM CCOc1cc(C(=O)NC2CCC(CSC)CC2)cc(Cl)c1[O-] ZINC000452975394 1108041790 /nfs/dbraw/zinc/04/17/90/1108041790.db2.gz HIBQISAHDWKGQP-UHFFFAOYSA-N -1 1 357.903 4.096 20 0 FIADMM CCOc1cc(-c2noc([C@H](Cc3ccccc3)OC)n2)cc(Cl)c1[O-] ZINC000453173553 1108245884 /nfs/dbraw/zinc/24/58/84/1108245884.db2.gz YXDODHDSFYPPDM-INIZCTEOSA-N -1 1 374.824 4.425 20 0 FIADMM CC(=C([O-])Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc(C)c1 ZINC000523507256 1108289489 /nfs/dbraw/zinc/28/94/89/1108289489.db2.gz MINXGUPHUFORKT-GFCCVEGCSA-N -1 1 357.866 4.331 20 0 FIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 ZINC000523728908 1108476786 /nfs/dbraw/zinc/47/67/86/1108476786.db2.gz XEJXBUAQMBYCAE-UHFFFAOYSA-N -1 1 367.474 4.376 20 0 FIADMM Cc1nc(COc2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)cs1 ZINC000532012695 1108545368 /nfs/dbraw/zinc/54/53/68/1108545368.db2.gz RQPSXDSOQXGYLE-UHFFFAOYSA-N -1 1 358.394 4.128 20 0 FIADMM CCc1ccc(NC(=O)Cc2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000445324192 1108671690 /nfs/dbraw/zinc/67/16/90/1108671690.db2.gz UCRUHXIGASIWNE-UHFFFAOYSA-N -1 1 373.412 4.339 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3ccccc3n2)cc1 ZINC000523932617 1108679055 /nfs/dbraw/zinc/67/90/55/1108679055.db2.gz UXJYTJAGRDOCOD-UHFFFAOYSA-N -1 1 363.442 4.111 20 0 FIADMM COc1cc(-c2noc(-c3cscc3C)n2)cc(Br)c1[O-] ZINC000445391134 1108708639 /nfs/dbraw/zinc/70/86/39/1108708639.db2.gz JWZDFVPJKXHWDT-UHFFFAOYSA-N -1 1 367.224 4.250 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3cnccc3C)n2)cc(Cl)c1[O-] ZINC000445411043 1108721932 /nfs/dbraw/zinc/72/19/32/1108721932.db2.gz LTAWCKXWXFVMKL-SNAWJCMRSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc(C3C[C@@H](C)O[C@H](C)C3)n2)cc(Cl)c1[O-] ZINC000445413299 1108723963 /nfs/dbraw/zinc/72/39/63/1108723963.db2.gz SWCQUOSRPCUGLA-NXEZZACHSA-N -1 1 352.818 4.165 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3cnc(C)s3)n2)cc(Cl)c1[O-] ZINC000445402175 1108729913 /nfs/dbraw/zinc/72/99/13/1108729913.db2.gz NCQMCIBMWYZAHG-SNAWJCMRSA-N -1 1 363.826 4.430 20 0 FIADMM CCOc1cc(-c2noc(COc3ccc(C)cc3)n2)cc(Cl)c1[O-] ZINC000445407899 1108733679 /nfs/dbraw/zinc/73/36/79/1108733679.db2.gz VVEUNGUDWJSMFZ-UHFFFAOYSA-N -1 1 360.797 4.382 20 0 FIADMM CCOc1cc(-c2noc(CSCC(F)(F)F)n2)cc(Cl)c1[O-] ZINC000445423071 1108736062 /nfs/dbraw/zinc/73/60/62/1108736062.db2.gz UAEZFUWZBHCXSJ-UHFFFAOYSA-N -1 1 368.764 4.290 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc(OC)c3F)n2)cc(Cl)c1[O-] ZINC000445426965 1108738203 /nfs/dbraw/zinc/73/82/03/1108738203.db2.gz MQRYASHQMUSUJK-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM CCOc1cc(-c2noc(CCCC[C@H](C)C(C)=O)n2)cc(Cl)c1[O-] ZINC000445428455 1108739176 /nfs/dbraw/zinc/73/91/76/1108739176.db2.gz VDEOUZDNLRUWPU-NSHDSACASA-N -1 1 366.845 4.432 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(-c4ccco4)[nH]n3)n2)cc(Cl)c1[O-] ZINC000445431719 1108741711 /nfs/dbraw/zinc/74/17/11/1108741711.db2.gz PTWUGQWYHHJGGO-UHFFFAOYSA-N -1 1 372.768 4.144 20 0 FIADMM CC(C)n1ncc2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)cnc21 ZINC000445448117 1108750154 /nfs/dbraw/zinc/75/01/54/1108750154.db2.gz QOISKXGJOGHLCC-UHFFFAOYSA-N -1 1 355.785 4.088 20 0 FIADMM [O-]c1ccc(-c2noc(-c3nc(C4CC4)n4ccccc34)n2)c(Cl)c1 ZINC000445447513 1108773301 /nfs/dbraw/zinc/77/33/01/1108773301.db2.gz HVGPEPMQEBMPPV-UHFFFAOYSA-N -1 1 352.781 4.288 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(Br)c(F)c3)n2)cc1F ZINC000445471669 1108783161 /nfs/dbraw/zinc/78/31/61/1108783161.db2.gz HXESVIFOMJTQFN-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccc(C(F)(F)F)cc3)n2)c(F)c1 ZINC000445454523 1108787631 /nfs/dbraw/zinc/78/76/31/1108787631.db2.gz GMFDUOQKMMHZFT-UHFFFAOYSA-N -1 1 354.259 4.179 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(F)cc3Br)n2)c(F)c1 ZINC000445457872 1108791366 /nfs/dbraw/zinc/79/13/66/1108791366.db2.gz UMJHPUHEWMPBQG-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)c4cccnc34)n2)c(F)c1 ZINC000445461790 1108794907 /nfs/dbraw/zinc/79/49/07/1108794907.db2.gz ILBQMTDCJDFWOL-UHFFFAOYSA-N -1 1 371.755 4.362 20 0 FIADMM Cc1ccc(C)n1-c1nc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cs1 ZINC000445481218 1108800775 /nfs/dbraw/zinc/80/07/75/1108800775.db2.gz LUISIKPPDUIHFB-UHFFFAOYSA-N -1 1 370.409 4.036 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(Cc4ccccc4)s3)n2)cc1F ZINC000445480533 1108801400 /nfs/dbraw/zinc/80/14/00/1108801400.db2.gz ZRRNFZCXTQXCRQ-UHFFFAOYSA-N -1 1 353.378 4.296 20 0 FIADMM Cc1cc(C)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000320958668 1108806064 /nfs/dbraw/zinc/80/60/64/1108806064.db2.gz VOYZTTHGSAJFIF-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ccc(Br)cc3)n2)cc1F ZINC000445475753 1108814568 /nfs/dbraw/zinc/81/45/68/1108814568.db2.gz VDFLLSCXSBFPQH-UHFFFAOYSA-N -1 1 363.186 4.129 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cnc(Cc2ccccc2)s1 ZINC000445716938 1108963861 /nfs/dbraw/zinc/96/38/61/1108963861.db2.gz XDTWIVYLMXRBHS-UHFFFAOYSA-N -1 1 368.443 4.098 20 0 FIADMM COc1c(F)ccc(F)c1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000445875892 1109030141 /nfs/dbraw/zinc/03/01/41/1109030141.db2.gz QNLBKPPGEPKPOQ-UHFFFAOYSA-N -1 1 367.421 4.200 20 0 FIADMM CCC(CC)(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000525615202 1109453817 /nfs/dbraw/zinc/45/38/17/1109453817.db2.gz LBFMCDZVHBRWCL-UHFFFAOYSA-N -1 1 374.506 4.186 20 0 FIADMM CCOc1cc(-c2nc([C@@H]3CCOc4ccccc43)no2)cc(Cl)c1[O-] ZINC000527198117 1109717693 /nfs/dbraw/zinc/71/76/93/1109717693.db2.gz QPARHXMFPULAIJ-CYBMUJFWSA-N -1 1 372.808 4.409 20 0 FIADMM COc1cc(C(=O)Nc2ccccc2OC(F)(F)F)cc(Cl)c1[O-] ZINC000527485998 1109760183 /nfs/dbraw/zinc/76/01/83/1109760183.db2.gz VOBWRPZSJINGKY-UHFFFAOYSA-N -1 1 361.703 4.205 20 0 FIADMM CCOc1cc(-c2noc([C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)n2)cc(Cl)c1[O-] ZINC000528169195 1109930950 /nfs/dbraw/zinc/93/09/50/1109930950.db2.gz SHYLSBAMJUHYAZ-JIXVBMEVSA-N -1 1 352.818 4.021 20 0 FIADMM CC(C)c1nocc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000528690611 1110086891 /nfs/dbraw/zinc/08/68/91/1110086891.db2.gz HXJRVTZELGSVET-UHFFFAOYSA-N -1 1 362.842 4.146 20 0 FIADMM CCCc1noc(CCCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)n1 ZINC000529540470 1110284548 /nfs/dbraw/zinc/28/45/48/1110284548.db2.gz ZVYNACLJOSPSDT-UHFFFAOYSA-N -1 1 373.840 4.496 20 0 FIADMM Cn1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c(C(C)(C)C)n1 ZINC000529540291 1110284650 /nfs/dbraw/zinc/28/46/50/1110284650.db2.gz XKHRIHMDTCPUIJ-UHFFFAOYSA-N -1 1 357.841 4.482 20 0 FIADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000461207570 1111109132 /nfs/dbraw/zinc/10/91/32/1111109132.db2.gz CTYFICWDNDZFNM-UHFFFAOYSA-N -1 1 364.776 4.004 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1 ZINC000461415316 1111212535 /nfs/dbraw/zinc/21/25/35/1111212535.db2.gz BPPDAKNFCHYKEK-UHFFFAOYSA-N -1 1 358.507 4.164 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c2ccccc12 ZINC000462106096 1111494075 /nfs/dbraw/zinc/49/40/75/1111494075.db2.gz VXGLHGJCOPKTGS-UHFFFAOYSA-N -1 1 357.431 4.053 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000539262022 1111498717 /nfs/dbraw/zinc/49/87/17/1111498717.db2.gz WLVMWKVHDDAJKW-OLZOCXBDSA-N -1 1 364.214 4.344 20 0 FIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000479481459 1112038996 /nfs/dbraw/zinc/03/89/96/1112038996.db2.gz PQHKKGATFXYTHG-UHFFFAOYSA-N -1 1 372.393 4.202 20 0 FIADMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc4ncsc4c3)ccc2n1 ZINC000479502560 1112048556 /nfs/dbraw/zinc/04/85/56/1112048556.db2.gz ZXAGYISPFCVKHA-UHFFFAOYSA-N -1 1 372.475 4.028 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1-c1ncco1 ZINC000479532315 1112067407 /nfs/dbraw/zinc/06/74/07/1112067407.db2.gz YGBBHAZXCYDFJA-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479727447 1112120365 /nfs/dbraw/zinc/12/03/65/1112120365.db2.gz CADPWKCZFHMFRX-UHFFFAOYSA-N -1 1 374.400 4.306 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cc1 ZINC000554687997 1112449324 /nfs/dbraw/zinc/44/93/24/1112449324.db2.gz YRKCRTDBBNCOQE-UHFFFAOYSA-N -1 1 366.442 4.113 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000667844206 1112814154 /nfs/dbraw/zinc/81/41/54/1112814154.db2.gz BBQXVIPVNRYOJS-SECBINFHSA-N -1 1 369.849 4.047 20 0 FIADMM CC[C@H](Nc1ccccc1)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482553103 1113293013 /nfs/dbraw/zinc/29/30/13/1113293013.db2.gz MGMKXQPQJYYZEX-AWEZNQCLSA-N -1 1 363.255 4.292 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1 ZINC000486079756 1113500184 /nfs/dbraw/zinc/50/01/84/1113500184.db2.gz NDKHWLAGLTWOHA-UHFFFAOYSA-N -1 1 361.488 4.192 20 0 FIADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709782 1113687404 /nfs/dbraw/zinc/68/74/04/1113687404.db2.gz TUKWRGJQCHNTDG-UWVGGRQHSA-N -1 1 352.253 4.267 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)C12CC(c3ccccc3)(C1)C2 ZINC000908709883 1113687414 /nfs/dbraw/zinc/68/74/14/1113687414.db2.gz MDUAAPKCCFTZNN-UHFFFAOYSA-N -1 1 358.235 4.215 20 0 FIADMM CC(C)(C)c1nc(CC(=O)Nc2cccc([O-])c2Br)cs1 ZINC000908716267 1113688682 /nfs/dbraw/zinc/68/86/82/1113688682.db2.gz HOHRXHHYGPIJHD-UHFFFAOYSA-N -1 1 369.284 4.090 20 0 FIADMM CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1F ZINC000489537024 1114129341 /nfs/dbraw/zinc/12/93/41/1114129341.db2.gz LGRAMOFZVZSLQV-AWEZNQCLSA-N -1 1 370.193 4.314 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 ZINC000586758211 1114388474 /nfs/dbraw/zinc/38/84/74/1114388474.db2.gz XPHUMYCRCAJNHT-UHFFFAOYSA-N -1 1 367.449 4.348 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(C3CCCCC3)s2)[n-]c1=O ZINC000571501593 1114469957 /nfs/dbraw/zinc/46/99/57/1114469957.db2.gz YGEMNINCYIILPN-FMIVXFBMSA-N -1 1 373.478 4.424 20 0 FIADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000784071247 1114538665 /nfs/dbraw/zinc/53/86/65/1114538665.db2.gz QTBUBXUEODGZMK-CYBMUJFWSA-N -1 1 350.331 4.109 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1 ZINC000588834265 1114655771 /nfs/dbraw/zinc/65/57/71/1114655771.db2.gz DONFSGRTBAKTMV-ZDUSSCGKSA-N -1 1 357.435 4.051 20 0 FIADMM [O-]C(c1ccc(Nc2ccncc2Cl)cc1)(C(F)(F)F)C(F)(F)F ZINC001212155251 1114693306 /nfs/dbraw/zinc/69/33/06/1114693306.db2.gz IDLRLMLLXUYCBE-UHFFFAOYSA-N -1 1 370.680 4.213 20 0 FIADMM C[C@@H](C[N@@H+](Cc1coc(-c2cccs2)n1)Cc1ccccc1)C(=O)[O-] ZINC000572848510 1114805815 /nfs/dbraw/zinc/80/58/15/1114805815.db2.gz NHOUUTWSSLWUGF-AWEZNQCLSA-N -1 1 356.447 4.126 20 0 FIADMM C[C@@H](CN(Cc1coc(-c2cccs2)n1)Cc1ccccc1)C(=O)[O-] ZINC000572848510 1114805818 /nfs/dbraw/zinc/80/58/18/1114805818.db2.gz NHOUUTWSSLWUGF-AWEZNQCLSA-N -1 1 356.447 4.126 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2)oc1C ZINC000057120371 1114873986 /nfs/dbraw/zinc/87/39/86/1114873986.db2.gz NKYIZCWHQYIEJN-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000593542416 1115333011 /nfs/dbraw/zinc/33/30/11/1115333011.db2.gz UBLWTGPIPJRTAO-GOSISDBHSA-N -1 1 351.830 4.052 20 0 FIADMM CC(C)(C)OC(=O)CCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000598144908 1115708389 /nfs/dbraw/zinc/70/83/89/1115708389.db2.gz CCBZLTVXMQYUKS-UHFFFAOYSA-N -1 1 367.873 4.020 20 0 FIADMM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC000598206096 1115711956 /nfs/dbraw/zinc/71/19/56/1115711956.db2.gz QSARGNYWCCTYBX-OAHLLOKOSA-N -1 1 371.408 4.007 20 0 FIADMM CC(C)(C)c1ccc(-c2csc(NC(=O)c3cncc([O-])c3)n2)cc1 ZINC000599296665 1115806331 /nfs/dbraw/zinc/80/63/31/1115806331.db2.gz DWZVYPXUCGUPDF-UHFFFAOYSA-N -1 1 353.447 4.461 20 0 FIADMM CCCC[C@H]1CCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000171207125 1115853100 /nfs/dbraw/zinc/85/31/00/1115853100.db2.gz VVIFXNCHVJQFSM-QWHCGFSZSA-N -1 1 364.540 4.144 20 0 FIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000599926129 1115856154 /nfs/dbraw/zinc/85/61/54/1115856154.db2.gz MPMAZHNTEKWOED-UHFFFAOYSA-N -1 1 353.443 4.471 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000171598268 1115872373 /nfs/dbraw/zinc/87/23/73/1115872373.db2.gz ALQDJBPVANWTLJ-NVXWUHKLSA-N -1 1 372.538 4.247 20 0 FIADMM CC(C)[C@@H]1CCC[C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000171598374 1115872459 /nfs/dbraw/zinc/87/24/59/1115872459.db2.gz IRCJSHMSBMYYEF-OLZOCXBDSA-N -1 1 364.540 4.000 20 0 FIADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000605495443 1115904381 /nfs/dbraw/zinc/90/43/81/1115904381.db2.gz CILJCNVMVLUUOQ-UHFFFAOYSA-N -1 1 355.463 4.002 20 0 FIADMM CN(Cc1cccc2ccccc21)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000172236770 1115926038 /nfs/dbraw/zinc/92/60/38/1115926038.db2.gz JQDAQPFREXTZBO-UHFFFAOYSA-N -1 1 361.474 4.245 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1nccs1 ZINC000606463388 1115946098 /nfs/dbraw/zinc/94/60/98/1115946098.db2.gz UTMISUCPVOYVKE-JTQLQIEISA-N -1 1 365.307 4.188 20 0 FIADMM Cc1cn2cc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc2n1 ZINC000606752460 1115967534 /nfs/dbraw/zinc/96/75/34/1115967534.db2.gz OJUSOXBEYXRFMJ-UHFFFAOYSA-N -1 1 363.442 4.111 20 0 FIADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000172965453 1116011736 /nfs/dbraw/zinc/01/17/36/1116011736.db2.gz IUKDFZDMCLWRJC-CXAGYDPISA-N -1 1 369.469 4.182 20 0 FIADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000607615952 1116049291 /nfs/dbraw/zinc/04/92/91/1116049291.db2.gz FRVSDXBVBPEXIO-UHFFFAOYSA-N -1 1 357.834 4.457 20 0 FIADMM Cc1c(NC(=O)c2ccc3ccccc3c2[O-])cccc1N1CCOC1=O ZINC000173340512 1116053170 /nfs/dbraw/zinc/05/31/70/1116053170.db2.gz LKZQGFMRMQSMQU-UHFFFAOYSA-N -1 1 362.385 4.063 20 0 FIADMM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000608031894 1116079066 /nfs/dbraw/zinc/07/90/66/1116079066.db2.gz VTFAXGLLBUTVSX-RISCZKNCSA-N -1 1 362.303 4.063 20 0 FIADMM CCC[C@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000173659693 1116081759 /nfs/dbraw/zinc/08/17/59/1116081759.db2.gz LZYLLCIWGUNURO-HXUWFJFHSA-N -1 1 372.538 4.345 20 0 FIADMM Cc1ccc(NC(=O)C[C@@H](C)C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000063689439 1116098300 /nfs/dbraw/zinc/09/83/00/1116098300.db2.gz DJYXZIXURCKICP-OAHLLOKOSA-N -1 1 372.490 4.171 20 0 FIADMM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1c([O-])cccc1F ZINC000608366317 1116102308 /nfs/dbraw/zinc/10/23/08/1116102308.db2.gz REVUWORUROBKHX-UHFFFAOYSA-N -1 1 350.802 4.366 20 0 FIADMM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608366009 1116102677 /nfs/dbraw/zinc/10/26/77/1116102677.db2.gz YWJWEIPGKGZORS-UHFFFAOYSA-N -1 1 358.413 4.046 20 0 FIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2c(O)cccc2F)c1Cl ZINC000608342021 1116103253 /nfs/dbraw/zinc/10/32/53/1116103253.db2.gz BFLHEOQMOHXYKL-UHFFFAOYSA-N -1 1 364.225 4.256 20 0 FIADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000326993280 1116108243 /nfs/dbraw/zinc/10/82/43/1116108243.db2.gz ZBEBIFDYKFMNGA-CQSZACIVSA-N -1 1 369.305 4.411 20 0 FIADMM CC[C@@H](C)C[C@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000174535568 1116139545 /nfs/dbraw/zinc/13/95/45/1116139545.db2.gz CGYQUAJNXFSGOM-NEPJUHHUSA-N -1 1 352.529 4.000 20 0 FIADMM CCOc1ccc(F)c([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c1F ZINC000534036511 1116148793 /nfs/dbraw/zinc/14/87/93/1116148793.db2.gz NIZDNTIPRAHFAD-UHFFFAOYSA-N -1 1 362.307 4.410 20 0 FIADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c1F ZINC000534192355 1116170287 /nfs/dbraw/zinc/17/02/87/1116170287.db2.gz JELYUOHVSHYVDW-JTQLQIEISA-N -1 1 358.797 4.487 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456563738 1116203257 /nfs/dbraw/zinc/20/32/57/1116203257.db2.gz MJJNHKMRSXIQFU-HNNXBMFYSA-N -1 1 362.223 4.115 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccc(C(F)F)c1 ZINC000534553260 1116212739 /nfs/dbraw/zinc/21/27/39/1116212739.db2.gz KWFMIGSYCICQDF-UHFFFAOYSA-N -1 1 353.781 4.403 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCc4c3cccc4F)nc2)[n-]c(=O)c1C ZINC000462378744 1116341658 /nfs/dbraw/zinc/34/16/58/1116341658.db2.gz TXNRQKOHXSEWDS-KRWDZBQOSA-N -1 1 350.397 4.100 20 0 FIADMM CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000539616899 1116353371 /nfs/dbraw/zinc/35/33/71/1116353371.db2.gz NCLVTNBPHBXDET-ZDUSSCGKSA-N -1 1 359.495 4.043 20 0 FIADMM Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[n-]c(=O)c1C ZINC000539617650 1116353954 /nfs/dbraw/zinc/35/39/54/1116353954.db2.gz NVSZOGSZMSTIIX-VIFPVBQESA-N -1 1 372.277 4.225 20 0 FIADMM Cc1ccc2c(c1)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C[C@H](C)O2 ZINC000539627932 1116356321 /nfs/dbraw/zinc/35/63/21/1116356321.db2.gz QDXNBWMYINXDAH-NSHDSACASA-N -1 1 351.324 4.147 20 0 FIADMM Cc1oc([C@@H](C)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000519541156 1116362859 /nfs/dbraw/zinc/36/28/59/1116362859.db2.gz FQZGFSSXYSEQRI-IUODEOHRSA-N -1 1 359.397 4.081 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000540338754 1118000643 /nfs/dbraw/zinc/00/06/43/1118000643.db2.gz WYSFMXDCIFAAGB-UHFFFAOYSA-N -1 1 359.472 4.362 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2cnc([C@H](C)OCC)s2)s1 ZINC000463169560 1118002515 /nfs/dbraw/zinc/00/25/15/1118002515.db2.gz KILNZJZYLKTVHV-JTQLQIEISA-N -1 1 354.501 4.077 20 0 FIADMM Cc1sc2nc(-c3ccc(OC4CCOCC4)cc3)[n-]c(=O)c2c1C ZINC000463229135 1118037608 /nfs/dbraw/zinc/03/76/08/1118037608.db2.gz IUCIAXQTCUXSLM-UHFFFAOYSA-N -1 1 356.447 4.239 20 0 FIADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000491301025 1118262768 /nfs/dbraw/zinc/26/27/68/1118262768.db2.gz RPQDDIKCCILOHQ-ZFWWWQNUSA-N -1 1 374.278 4.248 20 0 FIADMM CC[C@H](C)C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000463901386 1118366287 /nfs/dbraw/zinc/36/62/87/1118366287.db2.gz ZPQXCCRDXBOFLR-HOTGVXAUSA-N -1 1 374.506 4.042 20 0 FIADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000463903218 1118366353 /nfs/dbraw/zinc/36/63/53/1118366353.db2.gz JWDHEWSDNGSDHH-CVEARBPZSA-N -1 1 374.506 4.042 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000516614733 1118538075 /nfs/dbraw/zinc/53/80/75/1118538075.db2.gz WHJSEKNWKVGENU-UHFFFAOYSA-N -1 1 367.449 4.023 20 0 FIADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000541871731 1118683016 /nfs/dbraw/zinc/68/30/16/1118683016.db2.gz YCEWFYRNUGVHST-UHFFFAOYSA-N -1 1 369.398 4.101 20 0 FIADMM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Br)c(Cl)s2)C1 ZINC000232746617 1118756649 /nfs/dbraw/zinc/75/66/49/1118756649.db2.gz HMOMSTATQLBXSZ-ZDUSSCGKSA-N -1 1 366.708 4.097 20 0 FIADMM CC1(C)CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000542199973 1118838975 /nfs/dbraw/zinc/83/89/75/1118838975.db2.gz YRBAYEUKQZOWKG-SFHVURJKSA-N -1 1 372.490 4.252 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000303571719 1118966089 /nfs/dbraw/zinc/96/60/89/1118966089.db2.gz MWNLRFGSEMYQFE-KRWDZBQOSA-N -1 1 350.256 4.117 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000491979419 1119000945 /nfs/dbraw/zinc/00/09/45/1119000945.db2.gz OXIDQRSHGXHZOX-HZPDHXFCSA-N -1 1 353.809 4.178 20 0 FIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000494092887 1119535140 /nfs/dbraw/zinc/53/51/40/1119535140.db2.gz UIXQHGNGRGBSIK-UHFFFAOYSA-N -1 1 369.490 4.164 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(F)c1 ZINC000185225425 1119648809 /nfs/dbraw/zinc/64/88/09/1119648809.db2.gz GBSNJGAWHKFFKK-UHFFFAOYSA-N -1 1 366.389 4.034 20 0 FIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc(C2CC2)on1 ZINC000186087626 1119705131 /nfs/dbraw/zinc/70/51/31/1119705131.db2.gz BPIBCDGLNOMXPN-UHFFFAOYSA-N -1 1 364.789 4.115 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(-c2ccncc2)s1 ZINC000186725776 1119745909 /nfs/dbraw/zinc/74/59/09/1119745909.db2.gz HSFSZWJBGXAJNF-UHFFFAOYSA-N -1 1 362.414 4.421 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2nc(C)co2)ccc1C ZINC000187556291 1119788901 /nfs/dbraw/zinc/78/89/01/1119788901.db2.gz JDLBVNNJZJKGTG-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(-c2nc(C)co2)c1 ZINC000187570320 1119789546 /nfs/dbraw/zinc/78/95/46/1119789546.db2.gz SKSRXYLNKJNHEM-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM COc1ccc(OC(C)C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190962004 1119956253 /nfs/dbraw/zinc/95/62/53/1119956253.db2.gz FHFYERCSLYUAFE-UHFFFAOYSA-N -1 1 350.802 4.485 20 0 FIADMM CCC(CC)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000193332289 1120129946 /nfs/dbraw/zinc/12/99/46/1120129946.db2.gz PRYBKVKVWIXHLA-UHFFFAOYSA-N -1 1 364.442 4.001 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000195450349 1120162319 /nfs/dbraw/zinc/16/23/19/1120162319.db2.gz RKQNJEUVJHEQEB-UHFFFAOYSA-N -1 1 372.471 4.174 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(F)c(F)c3F)s2)c(C)c1 ZINC000465460682 1120404204 /nfs/dbraw/zinc/40/42/04/1120404204.db2.gz WVAZYUGERHTFPJ-UHFFFAOYSA-N -1 1 363.364 4.492 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000648747587 1120499553 /nfs/dbraw/zinc/49/95/53/1120499553.db2.gz NMNPBZPZHRIVLE-MRXNPFEDSA-N -1 1 353.466 4.011 20 0 FIADMM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000761840543 1120528239 /nfs/dbraw/zinc/52/82/39/1120528239.db2.gz GKTXYQSZPDIUKV-MDZDMXLPSA-N -1 1 351.859 4.133 20 0 FIADMM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000495272981 1120613824 /nfs/dbraw/zinc/61/38/24/1120613824.db2.gz SDDJFBBMJSEHRC-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM CCOC(=O)C(=C([O-])CSc1ccccc1Cl)c1nc(C)cs1 ZINC000495359841 1120729740 /nfs/dbraw/zinc/72/97/40/1120729740.db2.gz WEBGAMMPLYUQJW-AWEZNQCLSA-N -1 1 369.895 4.113 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1 ZINC000303401901 1120756898 /nfs/dbraw/zinc/75/68/98/1120756898.db2.gz REXVSYGXYKKQEU-HNNXBMFYSA-N -1 1 369.490 4.401 20 0 FIADMM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000915187637 1120860099 /nfs/dbraw/zinc/86/00/99/1120860099.db2.gz HJFLCQBYMAEWFN-OWBHPGMISA-N -1 1 361.463 4.287 20 0 FIADMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC=CC(C)(C)O ZINC001203227050 1120991835 /nfs/dbraw/zinc/99/18/35/1120991835.db2.gz SKROJZRNICFPSR-VOTSOKGWSA-N -1 1 357.294 4.004 20 0 FIADMM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2ccccc2cc1[O-] ZINC000031264462 1121080208 /nfs/dbraw/zinc/08/02/08/1121080208.db2.gz DKWUXMUGTLPVDZ-IBGZPJMESA-N -1 1 363.413 4.356 20 0 FIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c2)n1 ZINC000032592394 1121111170 /nfs/dbraw/zinc/11/11/70/1121111170.db2.gz RRRCOHCGDORSFV-UHFFFAOYSA-N -1 1 367.474 4.376 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000032600004 1121111480 /nfs/dbraw/zinc/11/14/80/1121111480.db2.gz MXRJBKQRIDLJIG-UHFFFAOYSA-N -1 1 359.369 4.045 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2s1 ZINC000058733610 1121427310 /nfs/dbraw/zinc/42/73/10/1121427310.db2.gz DGRFRWKYYYTKBH-UHFFFAOYSA-N -1 1 352.868 4.367 20 0 FIADMM O=S(=O)([N-]c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1ccccc1 ZINC000060738723 1121493992 /nfs/dbraw/zinc/49/39/92/1121493992.db2.gz VNMWQTZOISGBKX-UHFFFAOYSA-N -1 1 367.405 4.170 20 0 FIADMM CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000763387917 1121568396 /nfs/dbraw/zinc/56/83/96/1121568396.db2.gz PBOYXYJTZCTRHH-UHFFFAOYSA-N -1 1 370.449 4.402 20 0 FIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000037377130 1121573325 /nfs/dbraw/zinc/57/33/25/1121573325.db2.gz ZKKZNQQHDFCNBF-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1C ZINC000037408632 1121573992 /nfs/dbraw/zinc/57/39/92/1121573992.db2.gz KZKTYMRUFKRLAO-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(Cl)c(F)cc1Cl ZINC001127991772 1121584390 /nfs/dbraw/zinc/58/43/90/1121584390.db2.gz GNUHPVNQMPVASC-UHFFFAOYSA-N -1 1 355.099 4.283 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000064476550 1121615724 /nfs/dbraw/zinc/61/57/24/1121615724.db2.gz NSFADAPKCYFJTC-UHFFFAOYSA-N -1 1 362.501 4.333 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)COC2 ZINC000068075095 1121807694 /nfs/dbraw/zinc/80/76/94/1121807694.db2.gz FLGYCMHELKXEBP-UHFFFAOYSA-N -1 1 363.438 4.089 20 0 FIADMM O=C(Nc1ccc(F)c(C(F)F)c1)c1cc(Br)ccc1[O-] ZINC001649104614 1121813675 /nfs/dbraw/zinc/81/36/75/1121813675.db2.gz PCNIXJWXFPPNQN-UHFFFAOYSA-N -1 1 360.129 4.484 20 0 FIADMM Cc1ccc(CCC(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc1 ZINC000068435844 1121826304 /nfs/dbraw/zinc/82/63/04/1121826304.db2.gz ZMZFDNHITZOLRR-UHFFFAOYSA-N -1 1 372.538 4.169 20 0 FIADMM CCCc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)cc1 ZINC000068424390 1121827205 /nfs/dbraw/zinc/82/72/05/1121827205.db2.gz ZNANPSHWXDDAIJ-UHFFFAOYSA-N -1 1 370.522 4.248 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000068435838 1121827509 /nfs/dbraw/zinc/82/75/09/1121827509.db2.gz QEZLVNNSXGIQAL-UHFFFAOYSA-N -1 1 372.538 4.250 20 0 FIADMM CC(C)CCSCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447039 1121828333 /nfs/dbraw/zinc/82/83/33/1121828333.db2.gz VTKKKUKBAAJJJV-UHFFFAOYSA-N -1 1 370.588 4.007 20 0 FIADMM COc1ccc(-c2cnc(CCC(=O)Nc3ccc([O-])c(Cl)c3)o2)cc1 ZINC000111668640 1121960826 /nfs/dbraw/zinc/96/08/26/1121960826.db2.gz FMYBDLARIPVEIB-UHFFFAOYSA-N -1 1 372.808 4.281 20 0 FIADMM COc1ccccc1OCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000111668746 1121961368 /nfs/dbraw/zinc/96/13/68/1121961368.db2.gz RMORCYJUJVYYNB-UHFFFAOYSA-N -1 1 373.792 4.479 20 0 FIADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667267 1121961509 /nfs/dbraw/zinc/96/15/09/1121961509.db2.gz CYMPTDKFSHXRJC-JTQLQIEISA-N -1 1 364.854 4.123 20 0 FIADMM O=S(=O)([N-]c1ccccc1C(F)(F)F)C1=Cc2ccccc2OCC1 ZINC000186428184 1122217753 /nfs/dbraw/zinc/21/77/53/1122217753.db2.gz ACMZGMQKCZXIES-UHFFFAOYSA-N -1 1 369.364 4.271 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1 ZINC000055632449 1122258464 /nfs/dbraw/zinc/25/84/64/1122258464.db2.gz BNVMKDPNVURZDN-UHFFFAOYSA-N -1 1 374.506 4.139 20 0 FIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000055632889 1122258610 /nfs/dbraw/zinc/25/86/10/1122258610.db2.gz AIWLJIGTLLTFSQ-UHFFFAOYSA-N -1 1 374.506 4.058 20 0 FIADMM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1ccc(Cl)s1 ZINC000056128105 1122293809 /nfs/dbraw/zinc/29/38/09/1122293809.db2.gz UERCJXMMDPURML-SNVBAGLBSA-N -1 1 369.817 4.374 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c2cccnc12 ZINC000917716399 1122408219 /nfs/dbraw/zinc/40/82/19/1122408219.db2.gz OGLIFKVPUSKOOH-UHFFFAOYSA-N -1 1 364.426 4.197 20 0 FIADMM CCOc1ccc(OCC)c([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)c1 ZINC000917728253 1122418865 /nfs/dbraw/zinc/41/88/65/1122418865.db2.gz RKLYAAQSOSSTHT-OUKQBFOZSA-N -1 1 361.463 4.205 20 0 FIADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1)CCC2 ZINC000670417026 1122474591 /nfs/dbraw/zinc/47/45/91/1122474591.db2.gz JDVQWHDTQWIRGI-CYBMUJFWSA-N -1 1 370.396 4.326 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc2ccccc2c1 ZINC000497958355 1122491465 /nfs/dbraw/zinc/49/14/65/1122491465.db2.gz ITVUPNAYAYIOIS-UHFFFAOYSA-N -1 1 353.443 4.429 20 0 FIADMM CCSc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000498011661 1122514654 /nfs/dbraw/zinc/51/46/54/1122514654.db2.gz PREDAMBENRMVJZ-UHFFFAOYSA-N -1 1 351.431 4.005 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC000498216218 1122629860 /nfs/dbraw/zinc/62/98/60/1122629860.db2.gz NPWGERCFSZDOHP-UHFFFAOYSA-N -1 1 363.133 4.062 20 0 FIADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000129767239 1122696138 /nfs/dbraw/zinc/69/61/38/1122696138.db2.gz REOBGVVIYXMTCK-UHFFFAOYSA-N -1 1 360.413 4.455 20 0 FIADMM CC[C@@H]1CCC[C@@H](NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000154927319 1122925729 /nfs/dbraw/zinc/92/57/29/1122925729.db2.gz IWOFTTBDKYTSAP-NVXWUHKLSA-N -1 1 372.538 4.391 20 0 FIADMM CC1(C)CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000072827136 1123158466 /nfs/dbraw/zinc/15/84/66/1123158466.db2.gz SELJUNIRUWHKEH-UHFFFAOYSA-N -1 1 357.454 4.435 20 0 FIADMM O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000132792250 1123361039 /nfs/dbraw/zinc/36/10/39/1123361039.db2.gz DPFAHBXEGCPHHH-UHFFFAOYSA-N -1 1 365.323 4.261 20 0 FIADMM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1c([O-])cccc1Cl ZINC000920464418 1123460635 /nfs/dbraw/zinc/46/06/35/1123460635.db2.gz GOQRVXWMIWQSDC-JTQLQIEISA-N -1 1 368.658 4.169 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c(Cl)c1 ZINC000135517533 1123769274 /nfs/dbraw/zinc/76/92/74/1123769274.db2.gz DOPSXTHVDDKKSB-UHFFFAOYSA-N -1 1 371.796 4.263 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1 ZINC000080938596 1123977842 /nfs/dbraw/zinc/97/78/42/1123977842.db2.gz XAVZYSUGLCNPGX-UHFFFAOYSA-N -1 1 368.458 4.024 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000615394272 1124000491 /nfs/dbraw/zinc/00/04/91/1124000491.db2.gz VZZXIBAICSSZHA-SGTLLEGYSA-N -1 1 370.474 4.128 20 0 FIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1 ZINC000615946836 1124172287 /nfs/dbraw/zinc/17/22/87/1124172287.db2.gz SNRDNFCQGAJYEO-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000068435365 1124233446 /nfs/dbraw/zinc/23/34/46/1124233446.db2.gz GWUDXMBIMVXLDV-DLBZAZTESA-N -1 1 370.522 4.031 20 0 FIADMM CCn1c(C2CCN(C(=O)CCCC3CCCCC3)CC2)n[n-]c1=S ZINC000068452305 1124248353 /nfs/dbraw/zinc/24/83/53/1124248353.db2.gz HXIMTBMHPVNUHD-UHFFFAOYSA-N -1 1 364.559 4.417 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000060624457 1124580230 /nfs/dbraw/zinc/58/02/30/1124580230.db2.gz RHXPIZUXEQYWSD-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM O=S(=O)([N-]c1ccccc1OC(F)F)C1=Cc2ccccc2CC1 ZINC000069447188 1124884411 /nfs/dbraw/zinc/88/44/11/1124884411.db2.gz MGMNPCIRHIOPFQ-UHFFFAOYSA-N -1 1 351.374 4.017 20 0 FIADMM COc1ccccc1-c1nc(C(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000111666417 1124922057 /nfs/dbraw/zinc/92/20/57/1124922057.db2.gz ZAOBTOGWZNGZSK-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2)no1 ZINC000063849772 1124958133 /nfs/dbraw/zinc/95/81/33/1124958133.db2.gz FCUKAZYZMABHNO-UHFFFAOYSA-N -1 1 371.462 4.080 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016129659 210153671 /nfs/dbraw/zinc/15/36/71/210153671.db2.gz HNSGXFQMPPYKBN-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000004879235 210078968 /nfs/dbraw/zinc/07/89/68/210078968.db2.gz PCVHRAVHEGEGFM-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(F)c2)cc1 ZINC000021216939 211311406 /nfs/dbraw/zinc/31/14/06/211311406.db2.gz GOPLYVVNOPZVLO-UHFFFAOYSA-N -1 1 356.426 4.084 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(F)c(Cl)c1 ZINC000016130136 211155962 /nfs/dbraw/zinc/15/59/62/211155962.db2.gz RGSXRZBAQSAYHR-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 ZINC000016101408 211155448 /nfs/dbraw/zinc/15/54/48/211155448.db2.gz LBWDSENVYPSYKJ-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c2ccccc12 ZINC000072027123 221397135 /nfs/dbraw/zinc/39/71/35/221397135.db2.gz DIESIVKUTCJDDA-UHFFFAOYSA-N -1 1 359.422 4.487 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000063878416 567991624 /nfs/dbraw/zinc/99/16/24/567991624.db2.gz CDYRECVUIFSUGW-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM O=C(CCCC1CC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000643228576 568032895 /nfs/dbraw/zinc/03/28/95/568032895.db2.gz YSOLOHPJZTZCMZ-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000619198230 1125527182 /nfs/dbraw/zinc/52/71/82/1125527182.db2.gz GZGJTZWPYGZVOB-UGSOOPFHSA-N -1 1 374.868 4.015 20 0 FIADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(Br)cc1 ZINC000049401982 1079523041 /nfs/dbraw/zinc/52/30/41/1079523041.db2.gz HUESXSYFRLNAFK-VIFPVBQESA-N -1 1 354.631 4.299 20 0 FIADMM CCOc1cccc(-c2cccc(NC(=O)c3ccc([O-])c(F)c3)n2)c1 ZINC000683124740 1079627319 /nfs/dbraw/zinc/62/73/19/1079627319.db2.gz RODROUSXVYMBHQ-UHFFFAOYSA-N -1 1 352.365 4.244 20 0 FIADMM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001625781176 1079635466 /nfs/dbraw/zinc/63/54/66/1079635466.db2.gz CXYCIOPNVBXLQN-ZDUSSCGKSA-N -1 1 368.408 4.358 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000683173173 1079805569 /nfs/dbraw/zinc/80/55/69/1079805569.db2.gz FWZXXQNSQZWQAR-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)ccc2c1 ZINC000683174201 1079809871 /nfs/dbraw/zinc/80/98/71/1079809871.db2.gz RGDYSTMNNHOLHA-LJQANCHMSA-N -1 1 357.356 4.042 20 0 FIADMM COC(=O)c1sc([N-]c2ccn([C@H](C)c3ccccc3)n2)nc1Cl ZINC000092683985 1079982497 /nfs/dbraw/zinc/98/24/97/1079982497.db2.gz SUAQDHHSQFRCNZ-SNVBAGLBSA-N -1 1 362.842 4.133 20 0 FIADMM O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc([O-])c(Br)c1 ZINC000008315743 1079989930 /nfs/dbraw/zinc/98/99/30/1079989930.db2.gz VVDJIWZQIIRUOS-VZUCSPMQSA-N -1 1 350.599 4.301 20 0 FIADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001625801083 1079999749 /nfs/dbraw/zinc/99/97/49/1079999749.db2.gz ONXQHFMNSCIVBV-RTBURBONSA-N -1 1 373.880 4.293 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1 ZINC000014232430 1080236587 /nfs/dbraw/zinc/23/65/87/1080236587.db2.gz DANRIUXRSOCWGZ-MRXNPFEDSA-N -1 1 369.490 4.246 20 0 FIADMM Cc1ccc2nc(-c3ccccc3NC(=O)CCCCC(=O)[O-])[nH]c2c1 ZINC000655556176 1080650872 /nfs/dbraw/zinc/65/08/72/1080650872.db2.gz PZYOWDDFMAZHCR-UHFFFAOYSA-N -1 1 351.406 4.122 20 0 FIADMM O=c1nc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)[n-]c2ccsc21 ZINC000025400797 1080684462 /nfs/dbraw/zinc/68/44/62/1080684462.db2.gz VQFVRXJJRUCWTK-GOSISDBHSA-N -1 1 373.481 4.132 20 0 FIADMM O=c1nc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)[n-]c2ccsc21 ZINC000025400797 1080684466 /nfs/dbraw/zinc/68/44/66/1080684466.db2.gz VQFVRXJJRUCWTK-GOSISDBHSA-N -1 1 373.481 4.132 20 0 FIADMM CCC[C@@H](C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109761403 1080690186 /nfs/dbraw/zinc/69/01/86/1080690186.db2.gz WNRXHSQGGJDIDQ-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM Cc1cnc(C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)s1 ZINC000683349796 1080710116 /nfs/dbraw/zinc/71/01/16/1080710116.db2.gz RBNDJNOVGBHCEI-UHFFFAOYSA-N -1 1 352.459 4.330 20 0 FIADMM COc1cc([C@H](C)NC(=O)c2cccc([O-])c2F)ccc1OC1CCCC1 ZINC001625860040 1080715682 /nfs/dbraw/zinc/71/56/82/1080715682.db2.gz WRBLDIJAYNGJJE-ZDUSSCGKSA-N -1 1 373.424 4.352 20 0 FIADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000037995168 1080717592 /nfs/dbraw/zinc/71/75/92/1080717592.db2.gz BCZIITGMAVTWJU-UHFFFAOYSA-N -1 1 352.228 4.004 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3oc(CC4CC4)nc3C)n2)s1 ZINC000530564824 1080922283 /nfs/dbraw/zinc/92/22/83/1080922283.db2.gz XLCCMOOJSVSXBQ-UHFFFAOYSA-N -1 1 360.464 4.076 20 0 FIADMM CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001648815872 1081235179 /nfs/dbraw/zinc/23/51/79/1081235179.db2.gz FTRPOXJFGJVSRW-GTTHROJTSA-N -1 1 366.248 4.259 20 0 FIADMM Cc1nc2c(s1)[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)CCC2 ZINC001266521887 1081286855 /nfs/dbraw/zinc/28/68/55/1081286855.db2.gz REDQSUADTJHKFQ-CYBMUJFWSA-N -1 1 358.360 4.015 20 0 FIADMM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(F)c2[O-])c(Br)c1 ZINC001648847216 1081288780 /nfs/dbraw/zinc/28/87/80/1081288780.db2.gz MQVAWUSSNPCOSX-JTQLQIEISA-N -1 1 368.202 4.008 20 0 FIADMM CN(CCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1Br ZINC000579967377 1081290380 /nfs/dbraw/zinc/29/03/80/1081290380.db2.gz GNKGDHFROKLWML-UHFFFAOYSA-N -1 1 362.267 4.212 20 0 FIADMM Cc1cccc(-n2cnc3cc(C(=O)Nc4cccc(F)c4[O-])ccc32)c1 ZINC001648850107 1081292006 /nfs/dbraw/zinc/29/20/06/1081292006.db2.gz DJINUGDPJDLVAB-UHFFFAOYSA-N -1 1 361.376 4.431 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H](C2CCCCC2)C1 ZINC001648904678 1081360915 /nfs/dbraw/zinc/36/09/15/1081360915.db2.gz GCOQBSHMUFWFBN-AWEZNQCLSA-N -1 1 352.272 4.197 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000122188545 1081478660 /nfs/dbraw/zinc/47/86/60/1081478660.db2.gz VQKJHMWHVBQKRA-UHFFFAOYSA-N -1 1 374.325 4.491 20 0 FIADMM CC1(C(=O)[O-])CCN(Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000634692744 1081531220 /nfs/dbraw/zinc/53/12/20/1081531220.db2.gz IAXJXEVKGXLCPI-UHFFFAOYSA-N -1 1 368.355 4.047 20 0 FIADMM C[S@](=O)Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1Cl ZINC000115267087 1081548994 /nfs/dbraw/zinc/54/89/94/1081548994.db2.gz DONGLUTUISHENI-RUZDIDTESA-N -1 1 373.861 4.330 20 0 FIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000580132185 1081629302 /nfs/dbraw/zinc/62/93/02/1081629302.db2.gz JGVJHSQCQPTTHL-UHFFFAOYSA-N -1 1 365.188 4.402 20 0 FIADMM C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC2(CCCCC2)O1 ZINC000656192086 1081894837 /nfs/dbraw/zinc/89/48/37/1081894837.db2.gz KWIVDTIRRHKKQW-BBRMVZONSA-N -1 1 371.399 4.255 20 0 FIADMM C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC2(CCCCC2)O1 ZINC000656192086 1081894838 /nfs/dbraw/zinc/89/48/38/1081894838.db2.gz KWIVDTIRRHKKQW-BBRMVZONSA-N -1 1 371.399 4.255 20 0 FIADMM O=C([O-])c1ccc(-c2nc(CN3CCC4(CCSCC4)CC3)co2)cc1 ZINC000634696211 1081925288 /nfs/dbraw/zinc/92/52/88/1081925288.db2.gz NWFPCCYMSOOQHD-UHFFFAOYSA-N -1 1 372.490 4.149 20 0 FIADMM COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)ccc1F ZINC000471593552 1082013795 /nfs/dbraw/zinc/01/37/95/1082013795.db2.gz LSLSCCUPIIGHLX-UHFFFAOYSA-N -1 1 373.833 4.076 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cccnc1-n1cccn1 ZINC001167439591 1082237773 /nfs/dbraw/zinc/23/77/73/1082237773.db2.gz AGCYGCMTHFDNOP-UHFFFAOYSA-N -1 1 364.792 4.032 20 0 FIADMM COc1ccc(OC)c(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1 ZINC001167439702 1082241480 /nfs/dbraw/zinc/24/14/80/1082241480.db2.gz FCQIYFRJPJWMRL-UHFFFAOYSA-N -1 1 357.793 4.468 20 0 FIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000160741227 1082295765 /nfs/dbraw/zinc/29/57/65/1082295765.db2.gz BRFQSEJZWWOMDV-UHFFFAOYSA-N -1 1 373.474 4.405 20 0 FIADMM Cc1ccn2cnc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)c2c1 ZINC001167445166 1082301353 /nfs/dbraw/zinc/30/13/53/1082301353.db2.gz TVQDAPNWNDSMOJ-UHFFFAOYSA-N -1 1 351.793 4.407 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc4ccccc4n3)nc2)[n-]c(=O)c1C ZINC000581362739 1082494147 /nfs/dbraw/zinc/49/41/47/1082494147.db2.gz DPVDJFJKUVDYFN-UHFFFAOYSA-N -1 1 357.417 4.021 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2SC)cc1 ZINC000656632338 1082645822 /nfs/dbraw/zinc/64/58/22/1082645822.db2.gz CWZKNHWOTINRCK-UHFFFAOYSA-N -1 1 371.911 4.052 20 0 FIADMM CC[C@@](C)([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1nccs1 ZINC000933323014 1082698777 /nfs/dbraw/zinc/69/87/77/1082698777.db2.gz VRIKSNRBPHPDKQ-CQSZACIVSA-N -1 1 359.829 4.033 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c1 ZINC000581639879 1082736503 /nfs/dbraw/zinc/73/65/03/1082736503.db2.gz LTXIBODKGFJBPD-UHFFFAOYSA-N -1 1 364.854 4.077 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1C1CC1 ZINC000656738710 1082739580 /nfs/dbraw/zinc/73/95/80/1082739580.db2.gz FHUKEZZSBMJTBJ-UHFFFAOYSA-N -1 1 354.834 4.002 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC([C@H](O)c2ccccc2)CC1 ZINC000078328950 1082816925 /nfs/dbraw/zinc/81/69/25/1082816925.db2.gz GDOINKXEBPTHEM-OAQYLSRUSA-N -1 1 361.441 4.131 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000078328947 1082817156 /nfs/dbraw/zinc/81/71/56/1082817156.db2.gz GDOINKXEBPTHEM-NRFANRHFSA-N -1 1 361.441 4.131 20 0 FIADMM C[C@@H]1CC[C@H](C)CN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001167481919 1082874976 /nfs/dbraw/zinc/87/49/76/1082874976.db2.gz AHMCKDDQEGULEN-QWHCGFSZSA-N -1 1 371.481 4.411 20 0 FIADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000510577666 1083179004 /nfs/dbraw/zinc/17/90/04/1083179004.db2.gz IAQHTEJIDQFENW-UHFFFAOYSA-N -1 1 358.854 4.285 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1c(Cl)cccc1Cl ZINC000431139061 1083349201 /nfs/dbraw/zinc/34/92/01/1083349201.db2.gz NSGHCSSPFPJGLP-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000006177150 1083710088 /nfs/dbraw/zinc/71/00/88/1083710088.db2.gz NYYBUTYQAGWSQS-UHFFFAOYSA-N -1 1 374.506 4.024 20 0 FIADMM C[C@@H](c1nc2ccccc2s1)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000584474614 1083727382 /nfs/dbraw/zinc/72/73/82/1083727382.db2.gz ACLOHHVNEATMPD-ZDUSSCGKSA-N -1 1 356.447 4.066 20 0 FIADMM Cc1cnc(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)[n-]c1=O ZINC000657261717 1084116829 /nfs/dbraw/zinc/11/68/29/1084116829.db2.gz APVDUQSWCUJVMR-GOSISDBHSA-N -1 1 371.506 4.021 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413950210 1084162524 /nfs/dbraw/zinc/16/25/24/1084162524.db2.gz FABQQYVDYQLVQF-GOSISDBHSA-N -1 1 357.837 4.040 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)co1 ZINC000511394770 1084191101 /nfs/dbraw/zinc/19/11/01/1084191101.db2.gz BAFFBRUNLKEFQG-AWEZNQCLSA-N -1 1 368.462 4.199 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000548964151 1084200857 /nfs/dbraw/zinc/20/08/57/1084200857.db2.gz KERHRYJCYZBEJJ-ZDUSSCGKSA-N -1 1 370.811 4.363 20 0 FIADMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c1 ZINC000613177842 1084426588 /nfs/dbraw/zinc/42/65/88/1084426588.db2.gz QCCWRYWUJYWSMK-UHFFFAOYSA-N -1 1 366.442 4.141 20 0 FIADMM Cc1cccc(NC(=S)N[N-]C(=O)c2cc3ccccc3s2)c1C ZINC000022886400 1084489012 /nfs/dbraw/zinc/48/90/12/1084489012.db2.gz QRERPQLRYSLERX-UHFFFAOYSA-N -1 1 355.488 4.150 20 0 FIADMM Oc1ccc(C2CCN(Cc3cccc(O)c3Br)CC2)cc1 ZINC001140552210 1084641117 /nfs/dbraw/zinc/64/11/17/1084641117.db2.gz BMZLSFFXXPTOSW-UHFFFAOYSA-N -1 1 362.267 4.240 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000548687324 1084679600 /nfs/dbraw/zinc/67/96/00/1084679600.db2.gz BDTIIWHPFQGQHY-UHFFFAOYSA-N -1 1 351.493 4.305 20 0 FIADMM CC(C)n1c(CNC(=O)c2cc3c(s2)CCCCCC3)n[n-]c1=S ZINC000066650293 1084869680 /nfs/dbraw/zinc/86/96/80/1084869680.db2.gz BYFQYLDWEUWADV-UHFFFAOYSA-N -1 1 364.540 4.172 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000684857704 1084963091 /nfs/dbraw/zinc/96/30/91/1084963091.db2.gz LBDJXMSQNVEXDA-SXLOBPIMSA-N -1 1 353.462 4.091 20 0 FIADMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccc(OC)cc1 ZINC000684870899 1085000924 /nfs/dbraw/zinc/00/09/24/1085000924.db2.gz PIWMGANTJINLKC-OAHLLOKOSA-N -1 1 353.340 4.301 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000684877408 1085021222 /nfs/dbraw/zinc/02/12/22/1085021222.db2.gz OCRYHYCXSFURCT-OAHLLOKOSA-N -1 1 364.367 4.128 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000684877407 1085021461 /nfs/dbraw/zinc/02/14/61/1085021461.db2.gz OCRYHYCXSFURCT-HNNXBMFYSA-N -1 1 364.367 4.128 20 0 FIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1C ZINC000078235851 1085653391 /nfs/dbraw/zinc/65/33/91/1085653391.db2.gz NVSLXIDJQCRXBO-UHFFFAOYSA-N -1 1 360.479 4.052 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078294489 1085692516 /nfs/dbraw/zinc/69/25/16/1085692516.db2.gz IWUDBWBPGODBBQ-HNAYVOBHSA-N -1 1 374.488 4.140 20 0 FIADMM Cc1c(=O)[n-]c(SCc2ccc(-n3ccnc3)cc2)nc1-c1ccccc1 ZINC000188184603 1085786028 /nfs/dbraw/zinc/78/60/28/1085786028.db2.gz IBQVQNRIXLJXMN-UHFFFAOYSA-N -1 1 374.469 4.223 20 0 FIADMM O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1c([O-])cccc1Cl ZINC001143517412 1085808907 /nfs/dbraw/zinc/80/89/07/1085808907.db2.gz SYTXCVVJJZZNSR-SFHVURJKSA-N -1 1 359.853 4.069 20 0 FIADMM CCc1noc(C)c1[N-]C(=O)c1nc(COC)sc1-c1ccccc1 ZINC000685044825 1085872484 /nfs/dbraw/zinc/87/24/84/1085872484.db2.gz IMRVAVJUVLDXFC-UHFFFAOYSA-N -1 1 357.435 4.068 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000033681048 1085882508 /nfs/dbraw/zinc/88/25/08/1085882508.db2.gz HTKOVFQCYPBKLB-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM COc1ccccc1C(F)(F)C(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC001126156372 1085901663 /nfs/dbraw/zinc/90/16/63/1085901663.db2.gz KTKIYTRVETZLQI-UHFFFAOYSA-N -1 1 351.315 4.168 20 0 FIADMM C[C@@]1(c2ccccc2)CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000652414599 1086023540 /nfs/dbraw/zinc/02/35/40/1086023540.db2.gz IMKLDBUOKZYBSX-OAQYLSRUSA-N -1 1 373.880 4.471 20 0 FIADMM O=C([O-])c1cccc(OCCN(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000652433211 1086039490 /nfs/dbraw/zinc/03/94/90/1086039490.db2.gz XTWVBKOQVBHPLJ-UHFFFAOYSA-N -1 1 367.367 4.218 20 0 FIADMM O=C([O-])C[C@@H]1CCCCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000652463712 1086077341 /nfs/dbraw/zinc/07/73/41/1086077341.db2.gz RJHXEVAIBPUCCV-HNNXBMFYSA-N -1 1 368.355 4.190 20 0 FIADMM CCOc1cc(-c2noc(CCc3scnc3C)n2)cc(Cl)c1[O-] ZINC000583075456 1086152347 /nfs/dbraw/zinc/15/23/47/1086152347.db2.gz TUHZRGLJFAASDF-UHFFFAOYSA-N -1 1 365.842 4.044 20 0 FIADMM Nc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(Cl)c1 ZINC000404334860 1086201650 /nfs/dbraw/zinc/20/16/50/1086201650.db2.gz AZEPWRXFBDXKPD-UHFFFAOYSA-N -1 1 351.642 4.030 20 0 FIADMM CC(C)[C@]1(C)C[C@@H]1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253585458 1086246039 /nfs/dbraw/zinc/24/60/39/1086246039.db2.gz WUGGISLTTRKBJX-RDXCRGQUSA-N -1 1 369.490 4.134 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092075784 1086385569 /nfs/dbraw/zinc/38/55/69/1086385569.db2.gz HTWAOXJEAVIZIR-UHFFFAOYSA-N -1 1 363.816 4.006 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](c2ccsc2)O1 ZINC000150872016 1086522356 /nfs/dbraw/zinc/52/23/56/1086522356.db2.gz KHSZMLPWSOEXKN-ACJLOTCBSA-N -1 1 353.443 4.209 20 0 FIADMM CCc1c(C)sc2nc(-c3ccc(-n4nc(C)cc4C)cn3)[n-]c(=O)c12 ZINC000583376571 1086630154 /nfs/dbraw/zinc/63/01/54/1086630154.db2.gz UUFZNHKZNYZKOL-UHFFFAOYSA-N -1 1 365.462 4.132 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc(F)cc1Cl ZINC000536042912 1086725719 /nfs/dbraw/zinc/72/57/19/1086725719.db2.gz CFIUUTAKPOQUKN-UHFFFAOYSA-N -1 1 356.209 4.258 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1OC1CCCC1 ZINC000107417027 1086804379 /nfs/dbraw/zinc/80/43/79/1086804379.db2.gz YXXOGCZJBJOIQB-UHFFFAOYSA-N -1 1 361.463 4.126 20 0 FIADMM CCc1nc(S[C@@H](C)c2nc(-c3ccccc3C)no2)[n-]c(=O)c1C ZINC000583764869 1086951363 /nfs/dbraw/zinc/95/13/63/1086951363.db2.gz XQHKAHZDNGJPBZ-LBPRGKRZSA-N -1 1 356.451 4.265 20 0 FIADMM CC[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000126991754 1086971808 /nfs/dbraw/zinc/97/18/08/1086971808.db2.gz GKNZZXOLBKUUML-FQEVSTJZSA-N -1 1 369.436 4.146 20 0 FIADMM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1C(F)(F)F ZINC000536141526 1086986107 /nfs/dbraw/zinc/98/61/07/1086986107.db2.gz UBWFUPXWRHDRDC-UHFFFAOYSA-N -1 1 351.250 4.140 20 0 FIADMM COc1cc(-c2ccccc2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000144613860 1087490834 /nfs/dbraw/zinc/49/08/34/1087490834.db2.gz RFRAXEUQXKTZFP-UHFFFAOYSA-N -1 1 367.402 4.465 20 0 FIADMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2csc(C)n2)c1[O-] ZINC000189848965 1087625201 /nfs/dbraw/zinc/62/52/01/1087625201.db2.gz KTVIBCOTHRMLFB-MRXNPFEDSA-N -1 1 350.871 4.350 20 0 FIADMM Cc1ccc(Nc2nc(CN3CCCC[C@H]3CCC(=O)[O-])cs2)cc1 ZINC000424263311 1087887164 /nfs/dbraw/zinc/88/71/64/1087887164.db2.gz RTFPRPHCNFHYET-KRWDZBQOSA-N -1 1 359.495 4.414 20 0 FIADMM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cc(C2CC2)ccn1 ZINC000685916146 1087915038 /nfs/dbraw/zinc/91/50/38/1087915038.db2.gz FCYLFCARLKNZDX-UHFFFAOYSA-N -1 1 357.262 4.208 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccc(F)c(Cl)c1 ZINC000685916446 1087917925 /nfs/dbraw/zinc/91/79/25/1087917925.db2.gz AUNBBNBNEXGXMR-UHFFFAOYSA-N -1 1 362.813 4.342 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)cc(Cl)c1[O-] ZINC000186834298 1088001353 /nfs/dbraw/zinc/00/13/53/1088001353.db2.gz SOGONWDJMPULPN-CQSZACIVSA-N -1 1 366.870 4.090 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCc2ccccc21)c1ccccc1 ZINC000031535006 1088571134 /nfs/dbraw/zinc/57/11/34/1088571134.db2.gz AXTZRPQWKNSZMP-UHFFFAOYSA-N -1 1 350.443 4.182 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1cc(-c2ccccc2)no1 ZINC000659793854 1088865773 /nfs/dbraw/zinc/86/57/73/1088865773.db2.gz WZFNCDSCDDVJEL-PXNSSMCTSA-N -1 1 354.450 4.197 20 0 FIADMM CC(C)Oc1ccnc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000659793099 1088867641 /nfs/dbraw/zinc/86/76/41/1088867641.db2.gz IYRQTSZLOYCPNE-UHFFFAOYSA-N -1 1 368.477 4.022 20 0 FIADMM O=C([O-])c1ccc(CN2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000414634924 1088913430 /nfs/dbraw/zinc/91/34/30/1088913430.db2.gz FCCSIWSDYLDVJK-GOSISDBHSA-N -1 1 367.342 4.474 20 0 FIADMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2coc3ccc(C(C)C)cc23)[n-]1 ZINC001625888209 1088923460 /nfs/dbraw/zinc/92/34/60/1088923460.db2.gz UYTMHMXNFJXLBK-UHFFFAOYSA-N -1 1 368.389 4.126 20 0 FIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(-c2cccnc2)cc1 ZINC000377063316 1088993931 /nfs/dbraw/zinc/99/39/31/1088993931.db2.gz WJOMMTXGQOVWDD-LBPRGKRZSA-N -1 1 354.356 4.223 20 0 FIADMM CC[C@@H](C)Cc1c(C)sc2nc(-c3cc(C(=O)OC)ccn3)[n-]c(=O)c12 ZINC000434940309 1089156926 /nfs/dbraw/zinc/15/69/26/1089156926.db2.gz WPTRERXKIPONRH-SNVBAGLBSA-N -1 1 371.462 4.143 20 0 FIADMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1Cl ZINC000613668337 1089267459 /nfs/dbraw/zinc/26/74/59/1089267459.db2.gz IXLPIGHWCNYYIY-GFCCVEGCSA-N -1 1 371.824 4.150 20 0 FIADMM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435422935 1089639730 /nfs/dbraw/zinc/63/97/30/1089639730.db2.gz QYIRFSHPQCXTJF-QMMMGPOBSA-N -1 1 368.282 4.104 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1C ZINC000515064371 1089749841 /nfs/dbraw/zinc/74/98/41/1089749841.db2.gz DRZUXSNZPNAYQP-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM CCO[C@@H](C)c1nc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC000377766179 1089786222 /nfs/dbraw/zinc/78/62/22/1089786222.db2.gz YTNAAVONIZSNJV-AWEZNQCLSA-N -1 1 374.506 4.041 20 0 FIADMM Cc1nc(-c2cccs2)sc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625892919 1089917607 /nfs/dbraw/zinc/91/76/07/1089917607.db2.gz ALAVQMHBCRLQRT-UHFFFAOYSA-N -1 1 352.387 4.416 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc2c(s1)CC(C)(C)CC2 ZINC000416355242 1090344183 /nfs/dbraw/zinc/34/41/83/1090344183.db2.gz AXXYQRSWEANZGW-UHFFFAOYSA-N -1 1 374.510 4.012 20 0 FIADMM CCc1cc(=O)[n-]c(SCCCCCn2c(C)nc3ccccc32)n1 ZINC000460867697 1090356382 /nfs/dbraw/zinc/35/63/82/1090356382.db2.gz CRDRJXKFTUNONU-UHFFFAOYSA-N -1 1 356.495 4.365 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2cc(Cl)ccc2Br)n1 ZINC000460870875 1090370860 /nfs/dbraw/zinc/37/08/60/1090370860.db2.gz XHGJUWVNBFEQIT-UHFFFAOYSA-N -1 1 359.676 4.453 20 0 FIADMM Cc1cc(Br)c(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000417541957 1090917575 /nfs/dbraw/zinc/91/75/75/1090917575.db2.gz ZHSAYFFXKCRKHF-NSHDSACASA-N -1 1 360.298 4.186 20 0 FIADMM COc1ccc(F)cc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417562196 1090927645 /nfs/dbraw/zinc/92/76/45/1090927645.db2.gz BTIIPDNXWBMEJV-OAHLLOKOSA-N -1 1 371.330 4.159 20 0 FIADMM Cc1cccc([C@H](CC(=O)[O-])NCc2cnc(C(F)(F)F)s2)c1C ZINC000417575434 1090933374 /nfs/dbraw/zinc/93/33/74/1090933374.db2.gz SPFIRENSEWVISP-ZDUSSCGKSA-N -1 1 358.385 4.084 20 0 FIADMM O=C([O-])CC[C@@H](NCc1sccc1Br)c1ccccc1 ZINC000417590001 1090934461 /nfs/dbraw/zinc/93/44/61/1090934461.db2.gz BAIFDPYAXVMPBO-CYBMUJFWSA-N -1 1 354.269 4.206 20 0 FIADMM CCOc1cc(-c2nc([C@H]3CCOC(C)(C)C3)no2)cc(Cl)c1[O-] ZINC000651440520 1090941363 /nfs/dbraw/zinc/94/13/63/1090941363.db2.gz VJZYOAPCCXFVNS-JTQLQIEISA-N -1 1 352.818 4.167 20 0 FIADMM Cc1cc(Br)c(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636286 1090951417 /nfs/dbraw/zinc/95/14/17/1090951417.db2.gz XLCQHOUMYFESGB-JSGCOSHPSA-N -1 1 366.280 4.222 20 0 FIADMM Cc1cc(Br)c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636288 1090951457 /nfs/dbraw/zinc/95/14/57/1090951457.db2.gz XLCQHOUMYFESGB-OCCSQVGLSA-N -1 1 366.280 4.222 20 0 FIADMM CCCCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025347601 1091175064 /nfs/dbraw/zinc/17/50/64/1091175064.db2.gz CSNBXJCHTZYAER-MRXNPFEDSA-N -1 1 374.506 4.186 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1C[C@H]1CCCOC1 ZINC000626228140 1091733547 /nfs/dbraw/zinc/73/35/47/1091733547.db2.gz ZOBJDERWVOJMDG-CQSZACIVSA-N -1 1 362.857 4.143 20 0 FIADMM Cc1ccc(C[C@@H]2CCCN(Cc3nc(=O)c4sccc4[n-]3)C2)cc1 ZINC000051064251 1091954643 /nfs/dbraw/zinc/95/46/43/1091954643.db2.gz WYJMJAAMTFCIFM-INIZCTEOSA-N -1 1 353.491 4.160 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000500474183 1092118046 /nfs/dbraw/zinc/11/80/46/1092118046.db2.gz ZIZMXJKUSNACSP-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM Cc1ccc2c(C=C([O-])Nc3nc(-c4ccsc4)ns3)coc2c1C ZINC000520966411 1092389738 /nfs/dbraw/zinc/38/97/38/1092389738.db2.gz KIEFNMVLCMAMLY-UHFFFAOYSA-N -1 1 369.471 4.233 20 0 FIADMM CCC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000520981860 1092409802 /nfs/dbraw/zinc/40/98/02/1092409802.db2.gz IZDQIKJYWDDFMU-QGZVFWFLSA-N -1 1 374.506 4.104 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000521025618 1092433715 /nfs/dbraw/zinc/43/37/15/1092433715.db2.gz QTEWHDIPGCCBPX-UHFFFAOYSA-N -1 1 358.507 4.385 20 0 FIADMM O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cncc([O-])c1 ZINC000521055462 1092451743 /nfs/dbraw/zinc/45/17/43/1092451743.db2.gz RONJJZRNHWXPBJ-UHFFFAOYSA-N -1 1 363.398 4.442 20 0 FIADMM Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000521041422 1092452034 /nfs/dbraw/zinc/45/20/34/1092452034.db2.gz AJCRNUOBZNUSQW-SNVBAGLBSA-N -1 1 356.369 4.181 20 0 FIADMM O=C(C[C@@H](c1cccs1)n1cccc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000473320930 1092733693 /nfs/dbraw/zinc/73/36/93/1092733693.db2.gz AXCTURWHLUEZPH-AWEZNQCLSA-N -1 1 368.487 4.041 20 0 FIADMM CCc1onc(C)c1[N-]C(=O)c1nc(COC)sc1-c1ccccc1 ZINC000521529966 1092739609 /nfs/dbraw/zinc/73/96/09/1092739609.db2.gz QJPUMORCTLSGCN-UHFFFAOYSA-N -1 1 357.435 4.068 20 0 FIADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(OCC(F)(F)F)cc1 ZINC000442838971 1092799560 /nfs/dbraw/zinc/79/95/60/1092799560.db2.gz RFBMURJJWDDTPS-UHFFFAOYSA-N -1 1 371.336 4.175 20 0 FIADMM CN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000048189641 1092842930 /nfs/dbraw/zinc/84/29/30/1092842930.db2.gz UXQBXGCJCPKTNA-UHFFFAOYSA-N -1 1 360.660 4.142 20 0 FIADMM CCc1c(C)sc2nc(-c3ccc(OCCCOC)cc3)[n-]c(=O)c12 ZINC000473444760 1092884812 /nfs/dbraw/zinc/88/48/12/1092884812.db2.gz QDUMPIDNBPSPAX-UHFFFAOYSA-N -1 1 358.463 4.350 20 0 FIADMM COc1cc(C(=O)Nc2scnc2-c2ccccc2)cc(Cl)c1[O-] ZINC000442967538 1092896775 /nfs/dbraw/zinc/89/67/75/1092896775.db2.gz OYVRCPSGLVHGBK-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM COc1cc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)cc(Cl)c1[O-] ZINC000443043450 1092922341 /nfs/dbraw/zinc/92/23/41/1092922341.db2.gz ARWAVAZNZCAQTG-UHFFFAOYSA-N -1 1 373.787 4.097 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)cc(Cl)c1[O-] ZINC000443126239 1092955114 /nfs/dbraw/zinc/95/51/14/1092955114.db2.gz AAKKRKXVQUBELJ-CQSZACIVSA-N -1 1 359.853 4.301 20 0 FIADMM CCOc1cc(-c2nc(Cc3cc(C)ccc3OC)no2)cc(Cl)c1[O-] ZINC000443210880 1092985668 /nfs/dbraw/zinc/98/56/68/1092985668.db2.gz JKLMAZQDISLHAH-UHFFFAOYSA-N -1 1 374.824 4.402 20 0 FIADMM CCOCc1ccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cc1 ZINC000443203592 1092990113 /nfs/dbraw/zinc/99/01/13/1092990113.db2.gz MJWFIBCFUPPZIY-UHFFFAOYSA-N -1 1 360.797 4.308 20 0 FIADMM CCOc1cc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)ccc1OC(F)F ZINC000575755285 1092996223 /nfs/dbraw/zinc/99/62/23/1092996223.db2.gz ILWNYRSNMAJFOL-LLVKDONJSA-N -1 1 369.364 4.171 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc(CN(CCOc2ccccc2C(=O)[O-])C2CC2)o1 ZINC000575809713 1093047927 /nfs/dbraw/zinc/04/79/27/1093047927.db2.gz DZZNNQUFGBOAJN-KDOFPFPSSA-N -1 1 355.434 4.145 20 0 FIADMM COC(=O)[C@@H](NCc1cccc([O-])c1Cl)c1ccc2ccccc2c1 ZINC000512697117 1093151026 /nfs/dbraw/zinc/15/10/26/1093151026.db2.gz MXBJJUCAGXUBII-IBGZPJMESA-N -1 1 355.821 4.203 20 0 FIADMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000010898045 1093277898 /nfs/dbraw/zinc/27/78/98/1093277898.db2.gz YKCJEQQLQPWSIO-UHFFFAOYSA-N -1 1 357.413 4.003 20 0 FIADMM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)ccc1[O-] ZINC000094037370 1093279420 /nfs/dbraw/zinc/27/94/20/1093279420.db2.gz QZLWMYSLTUWITH-UHFFFAOYSA-N -1 1 350.393 4.077 20 0 FIADMM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000522321343 1093327827 /nfs/dbraw/zinc/32/78/27/1093327827.db2.gz NQQVGXZMAFRCDE-CQSZACIVSA-N -1 1 360.479 4.108 20 0 FIADMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000011443236 1093482950 /nfs/dbraw/zinc/48/29/50/1093482950.db2.gz HNDIHBKJZQBMTQ-UHFFFAOYSA-N -1 1 362.842 4.130 20 0 FIADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccccc1SC1CCCC1 ZINC000607103837 1093611528 /nfs/dbraw/zinc/61/15/28/1093611528.db2.gz NMDPAGAZUPFICG-CQSZACIVSA-N -1 1 355.525 4.032 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cccc(C(F)F)c1 ZINC000780394640 1093703697 /nfs/dbraw/zinc/70/36/97/1093703697.db2.gz JJYBVMURPODEDU-UHFFFAOYSA-N -1 1 350.346 4.080 20 0 FIADMM COc1ccc(SC)c(OC)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780992375 1093718909 /nfs/dbraw/zinc/71/89/09/1093718909.db2.gz RLNPEFICTMTAFA-UHFFFAOYSA-N -1 1 353.827 4.037 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC000327448743 1093746659 /nfs/dbraw/zinc/74/66/59/1093746659.db2.gz OLWMIHYHNOCOMF-UHFFFAOYSA-N -1 1 371.380 4.407 20 0 FIADMM N#CC(=C([O-])C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000190933766 1093821511 /nfs/dbraw/zinc/82/15/11/1093821511.db2.gz WHWLTZGQCZLBCO-OAGJVSPASA-N -1 1 350.381 4.068 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000474498906 1093845379 /nfs/dbraw/zinc/84/53/79/1093845379.db2.gz VXBJILKWPDVXNN-UHFFFAOYSA-N -1 1 355.482 4.016 20 0 FIADMM Cc1ccc(-c2noc([C@@H](C)NCc3cccc([O-])c3Cl)n2)cc1F ZINC000513163687 1093955167 /nfs/dbraw/zinc/95/51/67/1093955167.db2.gz BJPQDWGHBGRMKS-LLVKDONJSA-N -1 1 361.804 4.394 20 0 FIADMM O=[P@]([O-])(O)C1(Nc2ccccc2OC2CCCC2)Cc2ccccc2C1 ZINC001167938396 1093957987 /nfs/dbraw/zinc/95/79/87/1093957987.db2.gz IZLGFBJBFGFWNW-UHFFFAOYSA-N -1 1 373.389 4.093 20 0 FIADMM Cc1ccc2ccc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)cc2c1 ZINC001167939720 1093964367 /nfs/dbraw/zinc/96/43/67/1093964367.db2.gz PINGLEZUDHVSAI-UHFFFAOYSA-N -1 1 353.358 4.233 20 0 FIADMM COC(=O)c1[n-]c(=N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)sc1C ZINC000433601978 1094010675 /nfs/dbraw/zinc/01/06/75/1094010675.db2.gz BFAPQPUFAMFDLE-JTQLQIEISA-N -1 1 373.503 4.265 20 0 FIADMM COC(=O)c1[n-]c(=NCc2ccc(-c3ccc(OC)cc3)s2)sc1C ZINC000433759405 1094083025 /nfs/dbraw/zinc/08/30/25/1094083025.db2.gz OUEQVBMIKYOJEW-UHFFFAOYSA-N -1 1 374.487 4.009 20 0 FIADMM COC(=O)c1[n-]c(=N[C@H](C)c2ccc(SC(C)C)cc2)sc1C ZINC000434084501 1094274387 /nfs/dbraw/zinc/27/43/87/1094274387.db2.gz XFRPFNLDXDOACO-LLVKDONJSA-N -1 1 350.509 4.334 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1cc(F)cc(F)c1 ZINC000028260422 1094497313 /nfs/dbraw/zinc/49/73/13/1094497313.db2.gz RRYJJPRDQNSHCV-UHFFFAOYSA-N -1 1 353.390 4.087 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1 ZINC000034526718 1094779896 /nfs/dbraw/zinc/77/98/96/1094779896.db2.gz UYQJQECJQPPZJG-UHFFFAOYSA-N -1 1 354.431 4.240 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000502489251 1095500601 /nfs/dbraw/zinc/50/06/01/1095500601.db2.gz AQRIWZIKQDPWOV-UHFFFAOYSA-N -1 1 370.208 4.072 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000509539920 1095592698 /nfs/dbraw/zinc/59/26/98/1095592698.db2.gz JFSZCUTZLMJXQL-UHFFFAOYSA-N -1 1 362.476 4.132 20 0 FIADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000428326631 1095689036 /nfs/dbraw/zinc/68/90/36/1095689036.db2.gz PQZFMQHXTBBJOU-XJKSGUPXSA-N -1 1 374.278 4.481 20 0 FIADMM Cc1noc(C(C)C)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000272451969 1096183068 /nfs/dbraw/zinc/18/30/68/1096183068.db2.gz JQJPCFUOBCXYPN-UHFFFAOYSA-N -1 1 353.216 4.135 20 0 FIADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273331769 1096252516 /nfs/dbraw/zinc/25/25/16/1096252516.db2.gz UKVXONCAIMXVMZ-YJBOKZPZSA-N -1 1 363.816 4.177 20 0 FIADMM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000504301737 1096738864 /nfs/dbraw/zinc/73/88/64/1096738864.db2.gz BTAVZQIDZUHVHU-SNVBAGLBSA-N -1 1 366.280 4.368 20 0 FIADMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)c(C)c1 ZINC001211982382 1098766307 /nfs/dbraw/zinc/76/63/07/1098766307.db2.gz UHSIZSDJQATAPB-UHFFFAOYSA-N -1 1 357.422 4.090 20 0 FIADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)c(Br)c2)C1 ZINC000137275010 1098779882 /nfs/dbraw/zinc/77/98/82/1098779882.db2.gz WJVXCZVWMMBJSX-OAHLLOKOSA-N -1 1 360.679 4.179 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000515691669 1098836654 /nfs/dbraw/zinc/83/66/54/1098836654.db2.gz AMHLCFNOKUTERB-UHFFFAOYSA-N -1 1 357.834 4.376 20 0 FIADMM CCOc1ccc(-c2nc(CSc3nc(C4CC4)cc(=O)[n-]3)co2)cc1 ZINC000436247744 1098854663 /nfs/dbraw/zinc/85/46/63/1098854663.db2.gz VTEDXMQIGLYMTO-UHFFFAOYSA-N -1 1 369.446 4.406 20 0 FIADMM CC[C@@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505782517 1098874045 /nfs/dbraw/zinc/87/40/45/1098874045.db2.gz JORPHTCSDRDPBF-OAHLLOKOSA-N -1 1 360.479 4.252 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000436482884 1099043120 /nfs/dbraw/zinc/04/31/20/1099043120.db2.gz BFEGTLRGAPLPFN-NSHDSACASA-N -1 1 374.799 4.346 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nncs2)cc1 ZINC000436477422 1099053630 /nfs/dbraw/zinc/05/36/30/1099053630.db2.gz LSGDLWLDHAUVBW-UHFFFAOYSA-N -1 1 373.503 4.303 20 0 FIADMM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc2ccccc2cc1[O-] ZINC000436485942 1099062595 /nfs/dbraw/zinc/06/25/95/1099062595.db2.gz HPCWVJGKYGPWLW-UHFFFAOYSA-N -1 1 365.404 4.120 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(COc2ccccc2)CC1 ZINC000436489207 1099065856 /nfs/dbraw/zinc/06/58/56/1099065856.db2.gz XZDQNHGDBDRXKS-UHFFFAOYSA-N -1 1 361.441 4.477 20 0 FIADMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436538394 1099104142 /nfs/dbraw/zinc/10/41/42/1099104142.db2.gz TXNUNNIZYLHVLC-UHFFFAOYSA-N -1 1 366.461 4.312 20 0 FIADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436539758 1099104532 /nfs/dbraw/zinc/10/45/32/1099104532.db2.gz MNLWJMNRQLIQLR-HXUWFJFHSA-N -1 1 371.440 4.409 20 0 FIADMM O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1ccc([O-])cc1F ZINC000436543916 1099108448 /nfs/dbraw/zinc/10/84/48/1099108448.db2.gz JYKLYTHWBOTKEM-UHFFFAOYSA-N -1 1 367.207 4.292 20 0 FIADMM CCc1nnc(-c2cccc(NC(=O)c3cc4ccccc4cc3[O-])c2)o1 ZINC000436577289 1099115177 /nfs/dbraw/zinc/11/51/77/1099115177.db2.gz SWQMBJPQBMPJNC-UHFFFAOYSA-N -1 1 359.385 4.410 20 0 FIADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000436569410 1099119536 /nfs/dbraw/zinc/11/95/36/1099119536.db2.gz DHYMSWHXROEVHT-CZUORRHYSA-N -1 1 374.278 4.421 20 0 FIADMM CCc1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cnn1C(CC)CC ZINC000436593250 1099125253 /nfs/dbraw/zinc/12/52/53/1099125253.db2.gz CYTQNHYMMJXATJ-UHFFFAOYSA-N -1 1 365.861 4.427 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000436579173 1099130782 /nfs/dbraw/zinc/13/07/82/1099130782.db2.gz CGUTUMMMNNOQCN-HSZRJFAPSA-N -1 1 359.425 4.207 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000436579174 1099130923 /nfs/dbraw/zinc/13/09/23/1099130923.db2.gz CGUTUMMMNNOQCN-QHCPKHFHSA-N -1 1 359.425 4.207 20 0 FIADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436583639 1099132204 /nfs/dbraw/zinc/13/22/04/1099132204.db2.gz DXLAZTZBFNBRMA-DOMZBBRYSA-N -1 1 360.251 4.173 20 0 FIADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000516076870 1099156482 /nfs/dbraw/zinc/15/64/82/1099156482.db2.gz YFRSVUXQXIIASA-UHFFFAOYSA-N -1 1 367.854 4.271 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000436674293 1099205397 /nfs/dbraw/zinc/20/53/97/1099205397.db2.gz RIHBUQNNYPBYNS-IBGZPJMESA-N -1 1 365.816 4.134 20 0 FIADMM O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000436689945 1099223713 /nfs/dbraw/zinc/22/37/13/1099223713.db2.gz PGDHBTHZLQRARX-AZUAARDMSA-N -1 1 369.367 4.084 20 0 FIADMM [O-]c1ccc(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)c(F)c1 ZINC000436691304 1099225117 /nfs/dbraw/zinc/22/51/17/1099225117.db2.gz TYAYLMJNGMTTPQ-UHFFFAOYSA-N -1 1 362.744 4.063 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1c1ccc(F)cc1 ZINC000436757301 1099273990 /nfs/dbraw/zinc/27/39/90/1099273990.db2.gz SGDSJECXQPEGIO-HNNXBMFYSA-N -1 1 364.214 4.271 20 0 FIADMM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436761249 1099278007 /nfs/dbraw/zinc/27/80/07/1099278007.db2.gz XFWZPSRQXDCPTM-VIFPVBQESA-N -1 1 370.193 4.266 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](c2ccccc2)CO1 ZINC000436750060 1099283406 /nfs/dbraw/zinc/28/34/06/1099283406.db2.gz DXBRRSFQZHECME-BLLLJJGKSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000436751343 1099287254 /nfs/dbraw/zinc/28/72/54/1099287254.db2.gz KSQCQZAQWZNNDJ-UHFFFAOYSA-N -1 1 365.351 4.169 20 0 FIADMM CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc2ccccc2c1[O-] ZINC000436752709 1099287975 /nfs/dbraw/zinc/28/79/75/1099287975.db2.gz ANPJNMLNBSGKGD-UHFFFAOYSA-N -1 1 365.429 4.225 20 0 FIADMM COc1ccc(CCC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000436756411 1099291355 /nfs/dbraw/zinc/29/13/55/1099291355.db2.gz QIEYPQMEDPDZCL-UHFFFAOYSA-N -1 1 357.425 4.025 20 0 FIADMM CCOc1cc(-c2noc(-c3ccccc3)n2)cc(Br)c1[O-] ZINC000436771283 1099293238 /nfs/dbraw/zinc/29/32/38/1099293238.db2.gz TZPWGMKVXXOYFN-UHFFFAOYSA-N -1 1 361.195 4.270 20 0 FIADMM Cn1cc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c(C(F)(F)F)n1 ZINC000436775755 1099296382 /nfs/dbraw/zinc/29/63/82/1099296382.db2.gz RDLZSYWCYBYAEH-UHFFFAOYSA-N -1 1 360.295 4.015 20 0 FIADMM CN(CCCOCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436780359 1099303206 /nfs/dbraw/zinc/30/32/06/1099303206.db2.gz COMJBGMZJGJFKX-UHFFFAOYSA-N -1 1 367.367 4.090 20 0 FIADMM COc1cc(C)c(NC(=O)c2cc(Br)ccc2[O-])c(C)c1C ZINC000436780417 1099303252 /nfs/dbraw/zinc/30/32/52/1099303252.db2.gz NZNMVRRMCMLWTH-UHFFFAOYSA-N -1 1 364.239 4.341 20 0 FIADMM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436798681 1099312376 /nfs/dbraw/zinc/31/23/76/1099312376.db2.gz VEGHRJSZZMAAEZ-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000436818817 1099330300 /nfs/dbraw/zinc/33/03/00/1099330300.db2.gz WLVHXLTUQBLENH-UHFFFAOYSA-N -1 1 363.816 4.006 20 0 FIADMM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000436818348 1099330793 /nfs/dbraw/zinc/33/07/93/1099330793.db2.gz KMGPCENFCUDCPU-SFHVURJKSA-N -1 1 363.816 4.082 20 0 FIADMM Cc1coc(-c2cccc(NC(=O)c3cc(Br)ccc3[O-])c2)n1 ZINC000436811395 1099337070 /nfs/dbraw/zinc/33/70/70/1099337070.db2.gz AFRUVQNFAGTUCV-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436836108 1099345472 /nfs/dbraw/zinc/34/54/72/1099345472.db2.gz CCEPRGWBNHGVHA-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1cccs1 ZINC000436843375 1099364163 /nfs/dbraw/zinc/36/41/63/1099364163.db2.gz HBULAQFVLNQQAC-AWEZNQCLSA-N -1 1 366.280 4.440 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000436849419 1099367431 /nfs/dbraw/zinc/36/74/31/1099367431.db2.gz ZNVYMNDNFAWUQJ-AWEZNQCLSA-N -1 1 351.830 4.192 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)nn1-c1c(F)cccc1F ZINC000436873151 1099384628 /nfs/dbraw/zinc/38/46/28/1099384628.db2.gz LZLNGDNPHILADF-UHFFFAOYSA-N -1 1 372.306 4.021 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cn4cc(Cl)cc(Cl)c4n3)n2)c(F)c1 ZINC000436872361 1099385171 /nfs/dbraw/zinc/38/51/71/1099385171.db2.gz KMHPGUPLXSELGC-UHFFFAOYSA-N -1 1 365.151 4.203 20 0 FIADMM O=C(c1ccc([O-])cc1F)N(Cc1cccc(Br)c1)C1CC1 ZINC000436873230 1099385228 /nfs/dbraw/zinc/38/52/28/1099385228.db2.gz VNWSUSLZRHQQCP-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000436873673 1099386950 /nfs/dbraw/zinc/38/69/50/1099386950.db2.gz XAPIDLVHWIBTAG-UHFFFAOYSA-N -1 1 355.331 4.258 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccnc(-c4ccc(Cl)cc4)n3)n2)cc1F ZINC000436877218 1099389634 /nfs/dbraw/zinc/38/96/34/1099389634.db2.gz FFNMQJAAKHAYEO-UHFFFAOYSA-N -1 1 368.755 4.359 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000436879157 1099394516 /nfs/dbraw/zinc/39/45/16/1099394516.db2.gz JFSOCKJNXFKSNP-INIZCTEOSA-N -1 1 351.830 4.115 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3cccc(C(F)(F)F)c3)n2)cc1F ZINC000436880153 1099395055 /nfs/dbraw/zinc/39/50/55/1099395055.db2.gz PIWZPNDFYKBFCO-UHFFFAOYSA-N -1 1 352.287 4.385 20 0 FIADMM O=C(c1ccc([O-])cc1F)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000436879568 1099396859 /nfs/dbraw/zinc/39/68/59/1099396859.db2.gz KYMHICPBAZFPHT-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM CCOc1cc(-c2noc(-c3nc4cccnc4s3)n2)cc(Cl)c1[O-] ZINC000436881882 1099398532 /nfs/dbraw/zinc/39/85/32/1099398532.db2.gz YWHGMYWGKOCMEG-UHFFFAOYSA-N -1 1 374.809 4.166 20 0 FIADMM CN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)ccc1[O-] ZINC000436893256 1099409328 /nfs/dbraw/zinc/40/93/28/1099409328.db2.gz NLUIGMLSAQHXNL-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Br)ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000629374454 1099418066 /nfs/dbraw/zinc/41/80/66/1099418066.db2.gz SIOJFAOFNDSZDM-GZBFAFLISA-N -1 1 372.690 4.178 20 0 FIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1csc2ccccc12 ZINC000436909393 1099418437 /nfs/dbraw/zinc/41/84/37/1099418437.db2.gz AIHGSWJXEQIBAB-UHFFFAOYSA-N -1 1 370.821 4.298 20 0 FIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1csc2ccccc12 ZINC000436909393 1099418442 /nfs/dbraw/zinc/41/84/42/1099418442.db2.gz AIHGSWJXEQIBAB-UHFFFAOYSA-N -1 1 370.821 4.298 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000614873911 1099422569 /nfs/dbraw/zinc/42/25/69/1099422569.db2.gz ZWYIOBZGUAYTPI-UHFFFAOYSA-N -1 1 363.332 4.044 20 0 FIADMM C[C@@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1 ZINC000436917281 1099431379 /nfs/dbraw/zinc/43/13/79/1099431379.db2.gz XBMRTGMPKUOZSI-JTQLQIEISA-N -1 1 374.803 4.102 20 0 FIADMM C[C@@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(F)cc1 ZINC000436917281 1099431384 /nfs/dbraw/zinc/43/13/84/1099431384.db2.gz XBMRTGMPKUOZSI-JTQLQIEISA-N -1 1 374.803 4.102 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000436920654 1099436808 /nfs/dbraw/zinc/43/68/08/1099436808.db2.gz QFUHGQUHDOMDOU-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM CCN(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436927880 1099441209 /nfs/dbraw/zinc/44/12/09/1099441209.db2.gz UENDSKYSGSCODR-UHFFFAOYSA-N -1 1 368.658 4.470 20 0 FIADMM C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436947612 1099460798 /nfs/dbraw/zinc/46/07/98/1099460798.db2.gz RJRRIQDWTOUECJ-AWEZNQCLSA-N -1 1 373.412 4.129 20 0 FIADMM C[C@@H](c1noc(-c2cc(F)ccc2[O-])n1)c1ccc(Br)cc1 ZINC000436966081 1099464706 /nfs/dbraw/zinc/46/47/06/1099464706.db2.gz UTLTXZLTCNVZOU-SECBINFHSA-N -1 1 363.186 4.496 20 0 FIADMM CCOc1cc(-c2nc(C3(COC)CCCCC3)no2)cc(Cl)c1[O-] ZINC000436953624 1099471673 /nfs/dbraw/zinc/47/16/73/1099471673.db2.gz AOUGTDLRLPYVLJ-UHFFFAOYSA-N -1 1 366.845 4.343 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC=C(c2ccccc2F)C1 ZINC000436956731 1099474330 /nfs/dbraw/zinc/47/43/30/1099474330.db2.gz OUGLORUHKHWPPQ-UHFFFAOYSA-N -1 1 351.299 4.090 20 0 FIADMM C[C@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1F ZINC000436982548 1099489944 /nfs/dbraw/zinc/48/99/44/1099489944.db2.gz VBPHGXKJALTMLR-SNVBAGLBSA-N -1 1 374.803 4.102 20 0 FIADMM C[C@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1F ZINC000436982548 1099489951 /nfs/dbraw/zinc/48/99/51/1099489951.db2.gz VBPHGXKJALTMLR-SNVBAGLBSA-N -1 1 374.803 4.102 20 0 FIADMM O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc([O-])cc1F ZINC000436985159 1099503671 /nfs/dbraw/zinc/50/36/71/1099503671.db2.gz CSZMJYXPBWBQEW-UHFFFAOYSA-N -1 1 366.179 4.276 20 0 FIADMM COc1ccc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)cc1F ZINC000437001544 1099507019 /nfs/dbraw/zinc/50/70/19/1099507019.db2.gz PZSMEFBCAFDGDU-UHFFFAOYSA-N -1 1 350.349 4.334 20 0 FIADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(Br)c([O-])c1 ZINC000437230300 1099730753 /nfs/dbraw/zinc/73/07/53/1099730753.db2.gz BLUCMKGMAOFEKV-GXTWGEPZSA-N -1 1 366.642 4.094 20 0 FIADMM Cc1cc(Br)c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263098096 1099761652 /nfs/dbraw/zinc/76/16/52/1099761652.db2.gz VZPBZPYQXIUFRX-QWRGUYRKSA-N -1 1 360.679 4.096 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cnc2ccsc2c1 ZINC000533842875 1100018110 /nfs/dbraw/zinc/01/81/10/1100018110.db2.gz HKXGAYWEMCQUIZ-UHFFFAOYSA-N -1 1 360.851 4.076 20 0 FIADMM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000437616999 1100021348 /nfs/dbraw/zinc/02/13/48/1100021348.db2.gz UUWDWENUVNGMIX-CQSZACIVSA-N -1 1 350.418 4.245 20 0 FIADMM CCOC(=O)[C@H](Sc1nc(CC)c(C)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000517246649 1100219674 /nfs/dbraw/zinc/21/96/74/1100219674.db2.gz CYINDMMDGRSYJY-CQSZACIVSA-N -1 1 366.870 4.103 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3nnc(C(C)C)n3c2)cc1 ZINC000438240081 1100524858 /nfs/dbraw/zinc/52/48/58/1100524858.db2.gz TUIHGSQXXYCGOI-CQSZACIVSA-N -1 1 372.494 4.167 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000425970747 1100559162 /nfs/dbraw/zinc/55/91/62/1100559162.db2.gz IWKNVOKEBUPBBT-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM CCOc1cc(C(=O)NCc2cccc(CSC)c2)cc(Cl)c1[O-] ZINC000438394841 1100641813 /nfs/dbraw/zinc/64/18/13/1100641813.db2.gz QYLVRFOHGWCCGF-UHFFFAOYSA-N -1 1 365.882 4.237 20 0 FIADMM O=c1nc(CN2CCC[C@@]3(CCCc4ccccc43)C2)[n-]c2ccsc21 ZINC000438555091 1100759796 /nfs/dbraw/zinc/75/97/96/1100759796.db2.gz VYIWKMAQZATQRP-NRFANRHFSA-N -1 1 365.502 4.267 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c(C)s1 ZINC000438726415 1100886916 /nfs/dbraw/zinc/88/69/16/1100886916.db2.gz UJKOGTVJPYXSHP-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM O=C(C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000438770037 1100906840 /nfs/dbraw/zinc/90/68/40/1100906840.db2.gz CXXVUIJWEBMSPF-MRXNPFEDSA-N -1 1 364.228 4.245 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000438789623 1100911685 /nfs/dbraw/zinc/91/16/85/1100911685.db2.gz BHESVPWUGFSBKA-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1c(F)ccc([O-])c1F ZINC000438782068 1100915073 /nfs/dbraw/zinc/91/50/73/1100915073.db2.gz XFPILRSMRQKIEM-UHFFFAOYSA-N -1 1 368.311 4.324 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(F)c(Br)c1 ZINC000438801841 1100919834 /nfs/dbraw/zinc/91/98/34/1100919834.db2.gz UIFHRYYJZRZHRQ-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)c1 ZINC000438814921 1100926479 /nfs/dbraw/zinc/92/64/79/1100926479.db2.gz OQXKQJLOCNHZMS-UHFFFAOYSA-N -1 1 361.463 4.033 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1 ZINC000518241875 1101027335 /nfs/dbraw/zinc/02/73/35/1101027335.db2.gz JJLDUBPYKXOZCH-UHFFFAOYSA-N -1 1 356.447 4.403 20 0 FIADMM Cc1nc(-c2cccc(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)c2)cs1 ZINC000439118662 1101173462 /nfs/dbraw/zinc/17/34/62/1101173462.db2.gz MOBBCRLGKHHCMT-UHFFFAOYSA-N -1 1 366.471 4.244 20 0 FIADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(C)(C)C ZINC000518484405 1101243843 /nfs/dbraw/zinc/24/38/43/1101243843.db2.gz VBNKSEMXERHPPU-GOSISDBHSA-N -1 1 374.506 4.042 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nncs2)cc1)c1ccc2ccccc2c1 ZINC000439248271 1101272816 /nfs/dbraw/zinc/27/28/16/1101272816.db2.gz PHTOWJJRJYLVCH-UHFFFAOYSA-N -1 1 367.455 4.159 20 0 FIADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1Cl ZINC000610237801 1101361531 /nfs/dbraw/zinc/36/15/31/1101361531.db2.gz SLVNHDJXOUPXIF-UHFFFAOYSA-N -1 1 367.854 4.051 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1csc(-c2ccoc2)n1 ZINC000518640420 1101370233 /nfs/dbraw/zinc/37/02/33/1101370233.db2.gz LQFOBBQCCKAVJB-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1OCC ZINC000509601687 1101552852 /nfs/dbraw/zinc/55/28/52/1101552852.db2.gz LUIYXORIMXFQFD-UHFFFAOYSA-N -1 1 371.405 4.222 20 0 FIADMM CCc1ccc([C@H]2CC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)cc1 ZINC000519183951 1101993436 /nfs/dbraw/zinc/99/34/36/1101993436.db2.gz ZVRWORUBHYJBIE-SFHVURJKSA-N -1 1 373.880 4.469 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000476252681 1102064310 /nfs/dbraw/zinc/06/43/10/1102064310.db2.gz MXQZLBQJHZXVEO-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000476267225 1102078883 /nfs/dbraw/zinc/07/88/83/1102078883.db2.gz SUJZZBGIMXRJSN-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2cccc(Br)c2)s1 ZINC000263404882 1102118735 /nfs/dbraw/zinc/11/87/35/1102118735.db2.gz JIAQIQQDJRSIQM-JTQLQIEISA-N -1 1 354.269 4.083 20 0 FIADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Br)c2)s1 ZINC000263404882 1102118740 /nfs/dbraw/zinc/11/87/40/1102118740.db2.gz JIAQIQQDJRSIQM-JTQLQIEISA-N -1 1 354.269 4.083 20 0 FIADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000475838131 1102139312 /nfs/dbraw/zinc/13/93/12/1102139312.db2.gz WZPZCECPUHDOPJ-UHFFFAOYSA-N -1 1 360.385 4.136 20 0 FIADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897893386 1102145307 /nfs/dbraw/zinc/14/53/07/1102145307.db2.gz YLWOTSLLUMFTFP-PWSUYJOCSA-N -1 1 353.340 4.054 20 0 FIADMM COc1cccc(C(C)=C([O-])Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000519391464 1102163326 /nfs/dbraw/zinc/16/33/26/1102163326.db2.gz YLLZPLJWMBDKQY-LLVKDONJSA-N -1 1 373.865 4.031 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440298629 1102178760 /nfs/dbraw/zinc/17/87/60/1102178760.db2.gz VLWOWZMIHVVGAV-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM CCC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000519417864 1102181934 /nfs/dbraw/zinc/18/19/34/1102181934.db2.gz YNNUWWMQLMVJSL-QGZVFWFLSA-N -1 1 374.506 4.104 20 0 FIADMM CCn1c2ccccc2nc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666585792 1102307994 /nfs/dbraw/zinc/30/79/94/1102307994.db2.gz HIRLTEGDLRNTRZ-UHFFFAOYSA-N -1 1 363.461 4.134 20 0 FIADMM O=C([O-])c1ccccc1C1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000666585768 1102308222 /nfs/dbraw/zinc/30/82/22/1102308222.db2.gz FYUTYFPDFYNFOS-UHFFFAOYSA-N -1 1 369.852 4.066 20 0 FIADMM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000476551500 1102331086 /nfs/dbraw/zinc/33/10/86/1102331086.db2.gz SDMUGSBDLSDUSB-VIFPVBQESA-N -1 1 368.264 4.289 20 0 FIADMM O=S(=O)([N-]Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000048659700 1102408513 /nfs/dbraw/zinc/40/85/13/1102408513.db2.gz QQFKSYDLAPEORH-UHFFFAOYSA-N -1 1 350.654 4.125 20 0 FIADMM Cc1ccsc1-c1nsc([N-]C(=O)c2noc3c2CCCCC3)n1 ZINC000121743894 1102447714 /nfs/dbraw/zinc/44/77/14/1102447714.db2.gz IRAKFJQXTWGURZ-UHFFFAOYSA-N -1 1 360.464 4.084 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000111668194 1102697736 /nfs/dbraw/zinc/69/77/36/1102697736.db2.gz CZSHXVOBTUXVIW-UHFFFAOYSA-N -1 1 362.216 4.196 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC2(CCCCC2)CC1 ZINC000061559828 1102781906 /nfs/dbraw/zinc/78/19/06/1102781906.db2.gz GEBNJPRGBSTRHX-UHFFFAOYSA-N -1 1 352.272 4.341 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(Br)ccc1Cl)c1ccsc1 ZINC000426671680 1102859832 /nfs/dbraw/zinc/85/98/32/1102859832.db2.gz NHVZMGYTPBKDMK-CYBMUJFWSA-N -1 1 374.687 4.470 20 0 FIADMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2Cl)cc1 ZINC000426684112 1102917091 /nfs/dbraw/zinc/91/70/91/1102917091.db2.gz XHPWDSUDRKQMRS-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM O=C([O-])C[C@@H](NCc1cnc(-c2cccs2)s1)c1ccsc1 ZINC000426694555 1102925741 /nfs/dbraw/zinc/92/57/41/1102925741.db2.gz DFLUOGFWWCMMHZ-GFCCVEGCSA-N -1 1 350.490 4.239 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426720736 1102940029 /nfs/dbraw/zinc/94/00/29/1102940029.db2.gz OTILTCJFDSRHKN-WBMJQRKESA-N -1 1 358.488 4.423 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000426731686 1102950541 /nfs/dbraw/zinc/95/05/41/1102950541.db2.gz QMPIWXULAJIDRK-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(-c2ccncc2)cc1F)c1cccc(Cl)c1 ZINC000426738151 1102956028 /nfs/dbraw/zinc/95/60/28/1102956028.db2.gz TWCSFLOBWJBHRM-IBGZPJMESA-N -1 1 370.811 4.457 20 0 FIADMM COc1cc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc(Br)c1[O-] ZINC000664851665 1102965340 /nfs/dbraw/zinc/96/53/40/1102965340.db2.gz ZVUGMCUUSNIYLA-IEBDPFPHSA-N -1 1 365.227 4.117 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000426756105 1102970680 /nfs/dbraw/zinc/97/06/80/1102970680.db2.gz IAMZIPZMNCZASH-KUHUBIRLSA-N -1 1 352.459 4.362 20 0 FIADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Oc3ccccc3)c2)nc1 ZINC000426770149 1102976322 /nfs/dbraw/zinc/97/63/22/1102976322.db2.gz PMRQJIPNVRGPAS-OAQYLSRUSA-N -1 1 362.429 4.488 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2Cl)c1 ZINC000426767094 1102985724 /nfs/dbraw/zinc/98/57/24/1102985724.db2.gz KEFUFAQKHHBGRA-OAHLLOKOSA-N -1 1 354.233 4.308 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(-c2ccccc2)s1)c1ccc(F)cc1F ZINC000426785598 1102985801 /nfs/dbraw/zinc/98/58/01/1102985801.db2.gz QLUIBSBVGALGKQ-KRWDZBQOSA-N -1 1 374.412 4.394 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000426805473 1102988614 /nfs/dbraw/zinc/98/86/14/1102988614.db2.gz BUTGCAPBSCJBBP-HNNXBMFYSA-N -1 1 359.294 4.289 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1Br)c1ccsc1 ZINC000426793730 1102995087 /nfs/dbraw/zinc/99/50/87/1102995087.db2.gz RIMKTDKBFDPUSA-GFCCVEGCSA-N -1 1 360.660 4.080 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Cl)c(Br)c1)c1ccccc1F ZINC000426799875 1102998138 /nfs/dbraw/zinc/99/81/38/1102998138.db2.gz JQPNNFVOTIPMEM-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM COc1ccccc1[C@@H](NCc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC000426810154 1103005124 /nfs/dbraw/zinc/00/51/24/1103005124.db2.gz IBFPGIZNAVSYIM-HXUWFJFHSA-N -1 1 357.450 4.036 20 0 FIADMM Cc1cccc([C@H](CC(=O)[O-])NCc2nc3c(s2)C[C@H](C)CC3)c1C ZINC000426823186 1103019910 /nfs/dbraw/zinc/01/99/10/1103019910.db2.gz IDMLONSNYWKAPG-PXAZEXFGSA-N -1 1 358.507 4.190 20 0 FIADMM CCCOCc1ccccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459379432 1103024792 /nfs/dbraw/zinc/02/47/92/1103024792.db2.gz AEBQIJJZQAUPJC-UHFFFAOYSA-N -1 1 364.283 4.371 20 0 FIADMM Cc1cc([C@@H](NCc2ccccc2Br)C(=O)[O-])ccc1Cl ZINC000426825367 1103025383 /nfs/dbraw/zinc/02/53/83/1103025383.db2.gz QEBVWRSCOMKUNX-OAHLLOKOSA-N -1 1 368.658 4.326 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(Br)o1)c1cccc(Cl)c1 ZINC000426827669 1103026380 /nfs/dbraw/zinc/02/63/80/1103026380.db2.gz IYIKNDAGGZDDCH-LBPRGKRZSA-N -1 1 358.619 4.001 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F ZINC000426831622 1103043380 /nfs/dbraw/zinc/04/33/80/1103043380.db2.gz FUPMPYBFTXRLBV-HNNXBMFYSA-N -1 1 359.294 4.289 20 0 FIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000007154796 1103410438 /nfs/dbraw/zinc/41/04/38/1103410438.db2.gz GNWPSEVUYKECFP-BOPFTXTBSA-N -1 1 361.426 4.172 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507597703 1103531916 /nfs/dbraw/zinc/53/19/16/1103531916.db2.gz SROWCCGRISVOIX-UHFFFAOYSA-N -1 1 354.403 4.343 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(Cl)cc1F ZINC000507622638 1103539978 /nfs/dbraw/zinc/53/99/78/1103539978.db2.gz VATYFKCNMCUXFT-UHFFFAOYSA-N -1 1 368.739 4.002 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000427458702 1103570516 /nfs/dbraw/zinc/57/05/16/1103570516.db2.gz IVTXVICARXNHPW-AWEZNQCLSA-N -1 1 367.474 4.361 20 0 FIADMM Cc1oc(C(C)C)nc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000519645018 1103763945 /nfs/dbraw/zinc/76/39/45/1103763945.db2.gz OPQBNAVFRJKYKP-UHFFFAOYSA-N -1 1 353.216 4.135 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccc(C(F)(F)F)s1 ZINC000461115702 1104112997 /nfs/dbraw/zinc/11/29/97/1104112997.db2.gz XSXRSXKCQFLBGY-UHFFFAOYSA-N -1 1 359.753 4.360 20 0 FIADMM O=C(NCc1cccc(Oc2ccccc2)c1)c1c(F)ccc([O-])c1F ZINC000538318790 1104134785 /nfs/dbraw/zinc/13/47/85/1104134785.db2.gz FKDCDRNLZGIJQU-UHFFFAOYSA-N -1 1 355.340 4.393 20 0 FIADMM Cc1cc(C)c(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C ZINC000520295204 1104240051 /nfs/dbraw/zinc/24/00/51/1104240051.db2.gz OJYRRGSQKGYGMB-UHFFFAOYSA-N -1 1 356.369 4.101 20 0 FIADMM CCC(=C([O-])Nc1nc(-c2ccccc2Cl)ns1)c1ccccc1 ZINC000520320185 1104265255 /nfs/dbraw/zinc/26/52/55/1104265255.db2.gz ODYOQKXOCATFBC-CYBMUJFWSA-N -1 1 357.866 4.413 20 0 FIADMM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000112674524 1104393528 /nfs/dbraw/zinc/39/35/28/1104393528.db2.gz CZVHOGLMWJXLFU-PWSUYJOCSA-N -1 1 366.346 4.004 20 0 FIADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(F)F ZINC000655586442 1104743335 /nfs/dbraw/zinc/74/33/35/1104743335.db2.gz ULULWICMFJCDOP-CYBMUJFWSA-N -1 1 357.426 4.130 20 0 FIADMM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc([O-])cc1F ZINC000189395952 1104806381 /nfs/dbraw/zinc/80/63/81/1104806381.db2.gz NUOXOUAXLSFYTF-UHFFFAOYSA-N -1 1 371.305 4.151 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC000536457882 1105142400 /nfs/dbraw/zinc/14/24/00/1105142400.db2.gz AWEWQKHMIISBMT-UHFFFAOYSA-N -1 1 352.459 4.036 20 0 FIADMM O=S(=O)(CCCCF)[N-]c1cccc(-c2ccc(F)cc2Cl)n1 ZINC000427648767 1105225110 /nfs/dbraw/zinc/22/51/10/1105225110.db2.gz RMDNONNRRCHVEQ-UHFFFAOYSA-N -1 1 360.813 4.033 20 0 FIADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000427748332 1105266466 /nfs/dbraw/zinc/26/64/66/1105266466.db2.gz XTXMMISKGDLTCJ-CQSZACIVSA-N -1 1 367.474 4.361 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cccc2ncccc21 ZINC000508034360 1105300145 /nfs/dbraw/zinc/30/01/45/1105300145.db2.gz ZNVFWMKSDBXCFS-UHFFFAOYSA-N -1 1 367.474 4.026 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c(Cl)c1 ZINC000508241647 1105366217 /nfs/dbraw/zinc/36/62/17/1105366217.db2.gz LRGKJAMNHFOHKQ-UHFFFAOYSA-N -1 1 356.850 4.409 20 0 FIADMM C[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1 ZINC000444347678 1106859931 /nfs/dbraw/zinc/85/99/31/1106859931.db2.gz AKJAFIMBURUGOA-HNNXBMFYSA-N -1 1 366.461 4.197 20 0 FIADMM Cc1scc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1C ZINC000444350779 1106886215 /nfs/dbraw/zinc/88/62/15/1106886215.db2.gz IKUFHPOPEWEHRJ-UHFFFAOYSA-N -1 1 372.490 4.385 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000530164570 1106895162 /nfs/dbraw/zinc/89/51/62/1106895162.db2.gz ZLTTVVBSTXPWNY-OAHLLOKOSA-N -1 1 360.679 4.098 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000530164568 1106895856 /nfs/dbraw/zinc/89/58/56/1106895856.db2.gz ZLTTVVBSTXPWNY-HNNXBMFYSA-N -1 1 360.679 4.098 20 0 FIADMM Cc1ccc(Nc2nc(CN3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)cs2)cc1 ZINC000530173125 1106902064 /nfs/dbraw/zinc/90/20/64/1106902064.db2.gz CRROXYSMPLYWAZ-KBPBESRZSA-N -1 1 359.495 4.269 20 0 FIADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(Cl)cc(Br)c1 ZINC000530172800 1106902118 /nfs/dbraw/zinc/90/21/18/1106902118.db2.gz AOQDAKBOTNAYME-NXEZZACHSA-N -1 1 360.679 4.176 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1Cl ZINC000614735967 1106907081 /nfs/dbraw/zinc/90/70/81/1106907081.db2.gz LYLPSQLEDGECQR-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@]4(CC=CCC4)C3)nc2)[n-]c(=O)c1C ZINC000301400689 1107018307 /nfs/dbraw/zinc/01/83/07/1107018307.db2.gz PZOKQSZPWWQKNQ-OAQYLSRUSA-N -1 1 350.466 4.188 20 0 FIADMM Cc1nc(-c2ccc(NC[C@@H](C)Sc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301473372 1107041299 /nfs/dbraw/zinc/04/12/99/1107041299.db2.gz QZDRFHCKEWISQY-CYBMUJFWSA-N -1 1 366.490 4.454 20 0 FIADMM CC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccc(OC)cc1 ZINC000301536958 1107061656 /nfs/dbraw/zinc/06/16/56/1107061656.db2.gz RBZVFKKWUMSLCJ-GOSISDBHSA-N -1 1 364.449 4.433 20 0 FIADMM CCCOC1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCCCC1 ZINC000301551580 1107066856 /nfs/dbraw/zinc/06/68/56/1107066856.db2.gz QWLFPFZRNGBPBF-UHFFFAOYSA-N -1 1 370.497 4.402 20 0 FIADMM CCCCO[C@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(C)C ZINC000301551644 1107067873 /nfs/dbraw/zinc/06/78/73/1107067873.db2.gz RAGNCUMKKRDWFB-IRXDYDNUSA-N -1 1 370.497 4.257 20 0 FIADMM COc1ccc([C@@H](C)N(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301556974 1107069094 /nfs/dbraw/zinc/06/90/94/1107069094.db2.gz WYAMEGRPTJRPQP-OAHLLOKOSA-N -1 1 364.449 4.067 20 0 FIADMM CCO[C@@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(CC)CC ZINC000301608311 1107086351 /nfs/dbraw/zinc/08/63/51/1107086351.db2.gz ZYBKAUGDAZOKEC-DLBZAZTESA-N -1 1 370.497 4.257 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](C)C[C@H]3c3ccco3)nc2)[n-]c(=O)c1C ZINC000302041014 1107271838 /nfs/dbraw/zinc/27/18/38/1107271838.db2.gz NNPIPARNUKNTSC-GUYCJALGSA-N -1 1 364.449 4.432 20 0 FIADMM CCC(CC)[C@@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000302051299 1107277373 /nfs/dbraw/zinc/27/73/73/1107277373.db2.gz OWANVCDJIIOWAV-MSOLQXFVSA-N -1 1 370.497 4.257 20 0 FIADMM Cc1c([N-]c2nn3cc(-c4cccnc4)nc3s2)cnn1-c1ccccc1 ZINC000302150128 1107319249 /nfs/dbraw/zinc/31/92/49/1107319249.db2.gz HLWKCANJAKGTCX-UHFFFAOYSA-N -1 1 373.445 4.091 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531015458 1107464859 /nfs/dbraw/zinc/46/48/59/1107464859.db2.gz UORXPVFZKZSRTF-MRXNPFEDSA-N -1 1 350.340 4.173 20 0 FIADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000614761469 1107658899 /nfs/dbraw/zinc/65/88/99/1107658899.db2.gz LRZSKPQZQJSHBB-UHFFFAOYSA-N -1 1 366.442 4.330 20 0 FIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc2ccccc2o1 ZINC000531247994 1107695619 /nfs/dbraw/zinc/69/56/19/1107695619.db2.gz DQIRIJLUXNFOBH-BXUZGUMPSA-N -1 1 365.813 4.060 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000614787841 1107779113 /nfs/dbraw/zinc/77/91/13/1107779113.db2.gz XBNVUBZUVJQLPA-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)c1cncc([O-])c1 ZINC000531360174 1107798883 /nfs/dbraw/zinc/79/88/83/1107798883.db2.gz CONSBXAGPMCNPQ-UHFFFAOYSA-N -1 1 374.322 4.197 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1 ZINC000444510199 1107977972 /nfs/dbraw/zinc/97/79/72/1107977972.db2.gz BMDFJXHFFVJUEW-HXUWFJFHSA-N -1 1 372.424 4.143 20 0 FIADMM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000531762575 1108150511 /nfs/dbraw/zinc/15/05/11/1108150511.db2.gz LVVJWLUBNAKAKG-ZBEGNZNMSA-N -1 1 350.340 4.029 20 0 FIADMM CC(C)C[C@H](NC(=O)C(C)(C)C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000453169895 1108245008 /nfs/dbraw/zinc/24/50/08/1108245008.db2.gz DHNLRLAKCUOUPR-AWEZNQCLSA-N -1 1 365.861 4.345 20 0 FIADMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000531876075 1108310367 /nfs/dbraw/zinc/31/03/67/1108310367.db2.gz MXXUZXZCMWWTFT-OAHLLOKOSA-N -1 1 369.461 4.129 20 0 FIADMM CCOc1cc(-c2noc(C3C[C@H](C)O[C@@H](C)C3)n2)cc(Cl)c1[O-] ZINC000445413302 1108723260 /nfs/dbraw/zinc/72/32/60/1108723260.db2.gz SWCQUOSRPCUGLA-UWVGGRQHSA-N -1 1 352.818 4.165 20 0 FIADMM CCOc1cc(-c2noc(C[C@H](C)c3cccnc3)n2)cc(Cl)c1[O-] ZINC000445413814 1108723881 /nfs/dbraw/zinc/72/38/81/1108723881.db2.gz UDSIERPICFUJJH-NSHDSACASA-N -1 1 359.813 4.236 20 0 FIADMM COc1cc(-c2noc(-c3cccc(C)c3)n2)cc(Br)c1[O-] ZINC000445395683 1108725209 /nfs/dbraw/zinc/72/52/09/1108725209.db2.gz XSLTVIUCCMVMPY-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM CCOc1cc(-c2noc(C(C)(C)CCC(C)=O)n2)cc(Cl)c1[O-] ZINC000445409426 1108734786 /nfs/dbraw/zinc/73/47/86/1108734786.db2.gz ATUBTFKIENONCE-UHFFFAOYSA-N -1 1 352.818 4.141 20 0 FIADMM CCOc1cc(-c2noc(C(C)(C)c3cccnc3)n2)cc(Cl)c1[O-] ZINC000445413979 1108744968 /nfs/dbraw/zinc/74/49/68/1108744968.db2.gz WXAKHDDNBFITCA-UHFFFAOYSA-N -1 1 359.813 4.215 20 0 FIADMM COc1cc2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)[nH]c2cc1OC ZINC000445447927 1108750024 /nfs/dbraw/zinc/75/00/24/1108750024.db2.gz USDSLTBXIKCLEX-UHFFFAOYSA-N -1 1 371.780 4.261 20 0 FIADMM Cc1ccnn1-c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445449983 1108753399 /nfs/dbraw/zinc/75/33/99/1108753399.db2.gz XANIHENPQYYKNN-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccn(-c4ccc(F)cc4)n3)n2)c(Cl)c1 ZINC000445443302 1108768342 /nfs/dbraw/zinc/76/83/42/1108768342.db2.gz GENJMVOXSCJCLW-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM CCOc1cccc2c1OCC(c1nc(-c3ccc([O-])cc3Cl)no1)=C2 ZINC000445445720 1108770738 /nfs/dbraw/zinc/77/07/38/1108770738.db2.gz BBOJTACFBAMNLW-UHFFFAOYSA-N -1 1 370.792 4.427 20 0 FIADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445444932 1108771089 /nfs/dbraw/zinc/77/10/89/1108771089.db2.gz HVPLOFKNJISJAN-BONVTDFDSA-N -1 1 369.808 4.357 20 0 FIADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445446751 1108772092 /nfs/dbraw/zinc/77/20/92/1108772092.db2.gz FRPPKQOCSIUETC-BMIGLBTASA-N -1 1 369.808 4.357 20 0 FIADMM C[C@@H]1Sc2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2NC1=O ZINC000445453704 1108786544 /nfs/dbraw/zinc/78/65/44/1108786544.db2.gz JFBRLDNCFUOAJD-QMMMGPOBSA-N -1 1 373.821 4.195 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4ccoc4)n3)n2)c(Cl)c1 ZINC000445454494 1108787577 /nfs/dbraw/zinc/78/75/77/1108787577.db2.gz ZZZMDOHTOPLJSX-UHFFFAOYSA-N -1 1 359.794 4.403 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(Cc4ccc(F)cc4)n3)n2)c(F)c1 ZINC000445457554 1108790968 /nfs/dbraw/zinc/79/09/68/1108790968.db2.gz YPVADHPOVVVWPR-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc4c(cccc4OC(F)F)[nH]3)n2)cc1F ZINC000445477644 1108796665 /nfs/dbraw/zinc/79/66/65/1108796665.db2.gz OIDNTGTVERULSJ-UHFFFAOYSA-N -1 1 361.279 4.331 20 0 FIADMM O=C(CCCCc1nc(-c2ccc([O-])c(F)c2)no1)c1ccc(F)cc1 ZINC000445480699 1108799596 /nfs/dbraw/zinc/79/95/96/1108799596.db2.gz MUCKQMUMFHEDOS-UHFFFAOYSA-N -1 1 358.344 4.316 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ncc(-c4ccccc4F)o3)n2)cc1F ZINC000445481866 1108800665 /nfs/dbraw/zinc/80/06/65/1108800665.db2.gz QRKYFIZWBSESHN-UHFFFAOYSA-N -1 1 369.327 4.161 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)cc1F ZINC000445480771 1108801044 /nfs/dbraw/zinc/80/10/44/1108801044.db2.gz JEGQETXQBLIYPG-INIZCTEOSA-N -1 1 357.360 4.058 20 0 FIADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1F ZINC000445476760 1108813947 /nfs/dbraw/zinc/81/39/47/1108813947.db2.gz HTGQJCQZAFOQQW-UHFFFAOYSA-N -1 1 355.152 4.467 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(F)cc(Br)c3)n2)cc1F ZINC000445474952 1108814275 /nfs/dbraw/zinc/81/42/75/1108814275.db2.gz RZERVKQAUISUCS-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc4cc[nH]c4n3)no2)cc(Cl)c1[O-] ZINC000445576985 1108900279 /nfs/dbraw/zinc/90/02/79/1108900279.db2.gz MQTUGVSGCVDRCO-UHFFFAOYSA-N -1 1 356.769 4.038 20 0 FIADMM CCCc1ccc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)C)cc1 ZINC000524262005 1108938053 /nfs/dbraw/zinc/93/80/53/1108938053.db2.gz JNHRSPWZECTUOF-IBGZPJMESA-N -1 1 363.461 4.003 20 0 FIADMM CCO[C@H](c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1)c1ccccc1 ZINC000445800361 1108993434 /nfs/dbraw/zinc/99/34/34/1108993434.db2.gz XLQFGNZLFNAEEE-INIZCTEOSA-N -1 1 360.797 4.230 20 0 FIADMM [O-]c1c(-c2nc(-c3nnc(-c4ccccc4)o3)no2)ccc2ccccc21 ZINC000446009480 1109076849 /nfs/dbraw/zinc/07/68/49/1109076849.db2.gz GREQACDXMCRKGW-UHFFFAOYSA-N -1 1 356.341 4.312 20 0 FIADMM CCc1ccc(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000524638218 1109100873 /nfs/dbraw/zinc/10/08/73/1109100873.db2.gz IOCCADXOOLYQQF-SECBINFHSA-N -1 1 356.369 4.127 20 0 FIADMM Cc1ccc2nc(-c3ccc(NC(=O)CC4CCCC4)cc3)[n-]c(=O)c2c1 ZINC000524677235 1109116308 /nfs/dbraw/zinc/11/63/08/1109116308.db2.gz GGLWNZKTUJACLD-UHFFFAOYSA-N -1 1 361.445 4.417 20 0 FIADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(Br)c(F)c1F ZINC000928781787 1109222068 /nfs/dbraw/zinc/22/20/68/1109222068.db2.gz CNQYMZZVBJSKKG-UHFFFAOYSA-N -1 1 359.170 4.399 20 0 FIADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897349980 1109334219 /nfs/dbraw/zinc/33/42/19/1109334219.db2.gz WGSCCOONVXFIMO-PWSUYJOCSA-N -1 1 353.340 4.054 20 0 FIADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000446790651 1109338966 /nfs/dbraw/zinc/33/89/66/1109338966.db2.gz BYWNNLGESQDDJD-UHFFFAOYSA-N -1 1 359.278 4.454 20 0 FIADMM COc1cc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)cc(Cl)c1[O-] ZINC000525956595 1109568999 /nfs/dbraw/zinc/56/89/99/1109568999.db2.gz XWYJEISBMZVIQF-UHFFFAOYSA-N -1 1 373.796 4.098 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000526037049 1109596860 /nfs/dbraw/zinc/59/68/60/1109596860.db2.gz UHXVZJQZZINFBO-CTYIDZIISA-N -1 1 373.884 4.118 20 0 FIADMM COc1cc(-c2noc([C@H]3CCCC34CC4)n2)cc(Br)c1[O-] ZINC000528171022 1109931008 /nfs/dbraw/zinc/93/10/08/1109931008.db2.gz QUTOGJFTTDZNGJ-SNVBAGLBSA-N -1 1 365.227 4.261 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccccc3CC(C)C)no2)c1 ZINC000528225152 1109939260 /nfs/dbraw/zinc/93/92/60/1109939260.db2.gz QUVUIPQEFSHZFL-UHFFFAOYSA-N -1 1 351.406 4.266 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1(C)C ZINC000760134662 1109998820 /nfs/dbraw/zinc/99/88/20/1109998820.db2.gz SFPHENGLRCDMDR-CYBMUJFWSA-N -1 1 362.470 4.247 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCC(=O)C(C)(C)C)c1 ZINC000450466167 1110301472 /nfs/dbraw/zinc/30/14/72/1110301472.db2.gz HWYBBNAVUGCXKO-UHFFFAOYSA-N -1 1 356.260 4.187 20 0 FIADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1Cl ZINC000538324353 1111092184 /nfs/dbraw/zinc/09/21/84/1111092184.db2.gz KVCGXNGZWBUHLD-UHFFFAOYSA-N -1 1 357.759 4.171 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1 ZINC000461434997 1111220448 /nfs/dbraw/zinc/22/04/48/1111220448.db2.gz VCBCRWBICOYWEL-UHFFFAOYSA-N -1 1 358.507 4.335 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)sc1C ZINC000539111990 1111435953 /nfs/dbraw/zinc/43/59/53/1111435953.db2.gz GCWXUMFAVCSTKV-UHFFFAOYSA-N -1 1 353.362 4.324 20 0 FIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462066530 1111475786 /nfs/dbraw/zinc/47/57/86/1111475786.db2.gz SSOMMLXTTAMUHY-SSDOTTSWSA-N -1 1 369.352 4.022 20 0 FIADMM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Br)c([O-])c1 ZINC000478939435 1111923173 /nfs/dbraw/zinc/92/31/73/1111923173.db2.gz YMNPXFAWCRKKCQ-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000479283295 1111981467 /nfs/dbraw/zinc/98/14/67/1111981467.db2.gz NZEFLSOYLXKCEV-UHFFFAOYSA-N -1 1 374.821 4.337 20 0 FIADMM Cc1onc(-c2cccc(Cl)c2)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000479802294 1112145555 /nfs/dbraw/zinc/14/55/55/1112145555.db2.gz YFPYNFYUIHVDCF-UHFFFAOYSA-N -1 1 370.768 4.345 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc(Cl)c1[O-] ZINC000554161050 1112221268 /nfs/dbraw/zinc/22/12/68/1112221268.db2.gz WZALOOUGFYVFFH-OAHLLOKOSA-N -1 1 359.853 4.464 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC000554187734 1112237835 /nfs/dbraw/zinc/23/78/35/1112237835.db2.gz FFLQJOBHLPSITF-UHFFFAOYSA-N -1 1 362.813 4.484 20 0 FIADMM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cc(Cl)sc1Cl ZINC000480761448 1112592002 /nfs/dbraw/zinc/59/20/02/1112592002.db2.gz YFIVJWZYOPNERM-UHFFFAOYSA-N -1 1 373.286 4.082 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1N1CCCCC1 ZINC000481612761 1112995035 /nfs/dbraw/zinc/99/50/35/1112995035.db2.gz OFOWCVNFOBLERI-UHFFFAOYSA-N -1 1 362.433 4.025 20 0 FIADMM Cc1cc(F)ncc1CN[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000900033346 1113118432 /nfs/dbraw/zinc/11/84/32/1113118432.db2.gz XLHAQGBWBUGFSE-AWEZNQCLSA-N -1 1 357.212 4.142 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc(C)c1F ZINC000481900211 1113124422 /nfs/dbraw/zinc/12/44/22/1113124422.db2.gz QEPDFCRPDGQQLB-UHFFFAOYSA-N -1 1 363.241 4.254 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1cccc2ncccc21 ZINC000481958622 1113141400 /nfs/dbraw/zinc/14/14/00/1113141400.db2.gz TUBATPYYARRUKK-UHFFFAOYSA-N -1 1 372.421 4.106 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000481944898 1113142034 /nfs/dbraw/zinc/14/20/34/1113142034.db2.gz QOKMLAQUWUGUOD-UHFFFAOYSA-N -1 1 365.669 4.459 20 0 FIADMM COc1cc(C(=O)Nc2cc(F)ccc2OCC2CC2)cc(Cl)c1[O-] ZINC000482489214 1113275695 /nfs/dbraw/zinc/27/56/95/1113275695.db2.gz SZFNEEBKUWVWJL-UHFFFAOYSA-N -1 1 365.788 4.234 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2nccc3ccccc32)c1 ZINC000482659165 1113321356 /nfs/dbraw/zinc/32/13/56/1113321356.db2.gz OLXNKRJYOCHNNI-UHFFFAOYSA-N -1 1 357.207 4.264 20 0 FIADMM COc1ccccc1CCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482696921 1113334123 /nfs/dbraw/zinc/33/41/23/1113334123.db2.gz SCFFEFBKJRCMLB-UHFFFAOYSA-N -1 1 364.239 4.043 20 0 FIADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486215175 1113529095 /nfs/dbraw/zinc/52/90/95/1113529095.db2.gz ASNVPXWMXGTKOL-PHIMTYICSA-N -1 1 363.255 4.106 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000486699385 1113625748 /nfs/dbraw/zinc/62/57/48/1113625748.db2.gz NJFKHDFOQPLJMW-NSHDSACASA-N -1 1 363.813 4.251 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1(c2cccnc2)CCCC1 ZINC000486793430 1113647261 /nfs/dbraw/zinc/64/72/61/1113647261.db2.gz ISTVZNCMLPSGMK-UHFFFAOYSA-N -1 1 372.881 4.059 20 0 FIADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000570150502 1113923317 /nfs/dbraw/zinc/92/33/17/1113923317.db2.gz LWQNCQUAJZAOLN-RQOWECAXSA-N -1 1 364.426 4.239 20 0 FIADMM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1conc1C(F)(F)F ZINC000912075550 1114060736 /nfs/dbraw/zinc/06/07/36/1114060736.db2.gz NBWZZHGWLUOZII-UHFFFAOYSA-N -1 1 374.340 4.061 20 0 FIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cc(F)cc(Cl)c3)ccc21 ZINC000489612540 1114144150 /nfs/dbraw/zinc/14/41/50/1114144150.db2.gz ZBDHXYXUKXLKLL-UHFFFAOYSA-N -1 1 367.833 4.211 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@@H](c2ccco2)C1 ZINC000491079499 1114366494 /nfs/dbraw/zinc/36/64/94/1114366494.db2.gz ZREPNRBMWKRXLG-BXUZGUMPSA-N -1 1 364.239 4.361 20 0 FIADMM C[C@H]1CCC[C@@H](CNC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000055481508 1114475618 /nfs/dbraw/zinc/47/56/18/1114475618.db2.gz DWWUBQKUCNRQPN-QWHCGFSZSA-N -1 1 364.540 4.002 20 0 FIADMM C[C@]12CCN([C@@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)C[C@H]1C2(F)F ZINC000571583002 1114481530 /nfs/dbraw/zinc/48/15/30/1114481530.db2.gz PRCOMTNYFPOVQL-BZPMIXESSA-N -1 1 350.192 4.096 20 0 FIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000055600322 1114497528 /nfs/dbraw/zinc/49/75/28/1114497528.db2.gz WDVZREJQTIWHMH-UHFFFAOYSA-N -1 1 368.842 4.018 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)c1 ZINC000572985380 1114941014 /nfs/dbraw/zinc/94/10/14/1114941014.db2.gz URPMSKBTIUHBMV-UHFFFAOYSA-N -1 1 366.433 4.064 20 0 FIADMM O=C(CCCCCc1ccc(O)cc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000591098638 1115021058 /nfs/dbraw/zinc/02/10/58/1115021058.db2.gz YLEGTYYGHXKXKP-UHFFFAOYSA-N -1 1 355.463 4.007 20 0 FIADMM O=S(=O)([N-][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cc(F)ccc1F ZINC001212166861 1115028030 /nfs/dbraw/zinc/02/80/30/1115028030.db2.gz YAZFDPAGASIQNJ-WFASDCNBSA-N -1 1 371.836 4.233 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1F ZINC000591796850 1115139601 /nfs/dbraw/zinc/13/96/01/1115139601.db2.gz IRJADYASLLHOJR-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)(C)C ZINC000591804909 1115141016 /nfs/dbraw/zinc/14/10/16/1115141016.db2.gz RQWFWUMNHXVQST-GOSISDBHSA-N -1 1 374.506 4.042 20 0 FIADMM CCc1nc(SCc2ccc(OCc3ccncc3)cc2)[n-]c(=O)c1C ZINC000574585569 1115419608 /nfs/dbraw/zinc/41/96/08/1115419608.db2.gz ZAUJVEZVDKDRCU-UHFFFAOYSA-N -1 1 367.474 4.319 20 0 FIADMM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000574825589 1115499455 /nfs/dbraw/zinc/49/94/55/1115499455.db2.gz GOKCVXXWTRBULV-OAHLLOKOSA-N -1 1 362.429 4.296 20 0 FIADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000761221598 1115666769 /nfs/dbraw/zinc/66/67/69/1115666769.db2.gz QOJPZWNDOSJXDQ-QGZVFWFLSA-N -1 1 359.425 4.269 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000605434660 1115895347 /nfs/dbraw/zinc/89/53/47/1115895347.db2.gz CATROSBLYOUAIO-UHFFFAOYSA-N -1 1 365.408 4.374 20 0 FIADMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1c([O-])cccc1F ZINC000605435717 1115895377 /nfs/dbraw/zinc/89/53/77/1115895377.db2.gz IEIIEUZCKKGSNT-UHFFFAOYSA-N -1 1 373.815 4.168 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2sccc2Br)[n-]1 ZINC000605446622 1115896524 /nfs/dbraw/zinc/89/65/24/1115896524.db2.gz KKHQHPVIUHTFMM-UHFFFAOYSA-N -1 1 371.203 4.317 20 0 FIADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000606904594 1115981565 /nfs/dbraw/zinc/98/15/65/1115981565.db2.gz YDWQVSBHUGXGBP-VHSXEESVSA-N -1 1 355.809 4.216 20 0 FIADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cn1 ZINC000607613333 1116049165 /nfs/dbraw/zinc/04/91/65/1116049165.db2.gz IJTXQYFCBBQLRD-UHFFFAOYSA-N -1 1 359.426 4.071 20 0 FIADMM CC(C)(C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000607622116 1116049693 /nfs/dbraw/zinc/04/96/93/1116049693.db2.gz OJIUQZZMXRXSEV-UHFFFAOYSA-N -1 1 360.479 4.252 20 0 FIADMM CCSc1nnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)s1 ZINC000607763892 1116061306 /nfs/dbraw/zinc/06/13/06/1116061306.db2.gz OFZLDGRUWAYUEQ-UHFFFAOYSA-N -1 1 366.855 4.211 20 0 FIADMM C[C@H]1CN(Cn2c(=S)[n-]nc2Cc2cccs2)[C@@H]1c1ccccc1 ZINC000173454753 1116068772 /nfs/dbraw/zinc/06/87/72/1116068772.db2.gz GPNHVWPGJBEGCV-GUYCJALGSA-N -1 1 356.520 4.243 20 0 FIADMM CCC[C@@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000173656371 1116078302 /nfs/dbraw/zinc/07/83/02/1116078302.db2.gz KONLYDFWVLHIQS-FQEVSTJZSA-N -1 1 372.538 4.345 20 0 FIADMM Cc1ccc(-n2nc(C(=O)Nc3c([O-])cccc3F)c3c2CCCC3)cc1 ZINC000608367517 1116102651 /nfs/dbraw/zinc/10/26/51/1116102651.db2.gz UCWREYXCBOMJBQ-UHFFFAOYSA-N -1 1 365.408 4.157 20 0 FIADMM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1c([O-])cccc1F ZINC000608365867 1116102777 /nfs/dbraw/zinc/10/27/77/1116102777.db2.gz LBAWWPIEKIISIU-SECBINFHSA-N -1 1 370.243 4.413 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000609015983 1116140592 /nfs/dbraw/zinc/14/05/92/1116140592.db2.gz QGVHAHSEZCQYRC-UHFFFAOYSA-N -1 1 359.875 4.185 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cc(Cl)c1[O-] ZINC000456085089 1116155784 /nfs/dbraw/zinc/15/57/84/1116155784.db2.gz HKNWKRJSBAHQCV-ONGXEEELSA-N -1 1 365.779 4.247 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1cc(F)cc(Cl)c1 ZINC000534401520 1116195905 /nfs/dbraw/zinc/19/59/05/1116195905.db2.gz ZDWBWDOMZOCXFX-UHFFFAOYSA-N -1 1 368.842 4.403 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc(C)c1F ZINC000535508539 1116313967 /nfs/dbraw/zinc/31/39/67/1116313967.db2.gz RBMDPPJEVVJAFE-UHFFFAOYSA-N -1 1 373.453 4.007 20 0 FIADMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000462412385 1116347575 /nfs/dbraw/zinc/34/75/75/1116347575.db2.gz GFWUCSXGCKZZOH-MRVPVSSYSA-N -1 1 374.717 4.129 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3F)o2)[n-]c1=O ZINC000470296890 1117743165 /nfs/dbraw/zinc/74/31/65/1117743165.db2.gz GOPGIKMDCNAJMX-BENRWUELSA-N -1 1 368.364 4.319 20 0 FIADMM Cc1nc(-c2ccc(N3C[C@H](c4ccccc4)C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000462848163 1117818814 /nfs/dbraw/zinc/81/88/14/1117818814.db2.gz NDUJEMWCOPIAPA-IFXJQAMLSA-N -1 1 360.461 4.243 20 0 FIADMM O=C([N-]c1csc(-c2ccccn2)n1)c1c(F)c(F)cc(F)c1F ZINC000541272778 1118455229 /nfs/dbraw/zinc/45/52/29/1118455229.db2.gz PLSRXVUXMUUAAW-UHFFFAOYSA-N -1 1 353.300 4.014 20 0 FIADMM CN(CCCCc1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000303026989 1118770942 /nfs/dbraw/zinc/77/09/42/1118770942.db2.gz WCMGTPBFKZBCMY-UHFFFAOYSA-N -1 1 362.267 4.250 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c([O-])c1 ZINC000303051557 1118783807 /nfs/dbraw/zinc/78/38/07/1118783807.db2.gz VFVHZOGQFFNTDQ-UHFFFAOYSA-N -1 1 350.374 4.149 20 0 FIADMM O=S(=O)([N-]c1cccnc1Cl)c1cc2cc(Cl)ccc2s1 ZINC000176399153 1119000683 /nfs/dbraw/zinc/00/06/83/1119000683.db2.gz GNJVHYJGHOGJJU-UHFFFAOYSA-N -1 1 359.259 4.404 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1F ZINC000303980332 1119012396 /nfs/dbraw/zinc/01/23/96/1119012396.db2.gz XELOCHLKXBEVIC-UHFFFAOYSA-N -1 1 367.417 4.395 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(F)F)c1 ZINC000170635954 1119179569 /nfs/dbraw/zinc/17/95/69/1119179569.db2.gz UZOUESKEFLGCQI-UHFFFAOYSA-N -1 1 368.405 4.028 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000176700464 1119289849 /nfs/dbraw/zinc/28/98/49/1119289849.db2.gz LDLBRUHXMTZELB-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)c1 ZINC000176733252 1119291316 /nfs/dbraw/zinc/29/13/16/1119291316.db2.gz JPTCQYOUGLLZQU-UHFFFAOYSA-N -1 1 357.884 4.009 20 0 FIADMM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000006929480 1119464171 /nfs/dbraw/zinc/46/41/71/1119464171.db2.gz UNQUTNOMKCMEGH-JTQLQIEISA-N -1 1 364.319 4.355 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1nc(Cl)ccc1Cl ZINC000152618358 1119471555 /nfs/dbraw/zinc/47/15/55/1119471555.db2.gz FYVDAERIABJEJD-ZZXKWVIFSA-N -1 1 367.217 4.256 20 0 FIADMM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000152828853 1119517496 /nfs/dbraw/zinc/51/74/96/1119517496.db2.gz HQONTKUEJKEWKQ-GOSISDBHSA-N -1 1 372.469 4.058 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(COc2ccccc2F)on1 ZINC000184240814 1119599875 /nfs/dbraw/zinc/59/98/75/1119599875.db2.gz HSCDMFBPCWNVGZ-UHFFFAOYSA-N -1 1 362.744 4.004 20 0 FIADMM Cc1nc2ccccc2nc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000184873837 1119627374 /nfs/dbraw/zinc/62/73/74/1119627374.db2.gz NFXDLNMCNIVHSC-UHFFFAOYSA-N -1 1 374.469 4.289 20 0 FIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)c2ccccc2)nc1-c1ccccc1 ZINC000185050403 1119638311 /nfs/dbraw/zinc/63/83/11/1119638311.db2.gz ALUBZTBRTQHJHU-AWEZNQCLSA-N -1 1 350.443 4.109 20 0 FIADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000615225807 1119682806 /nfs/dbraw/zinc/68/28/06/1119682806.db2.gz GRBGSDCSZIZHBA-UHFFFAOYSA-N -1 1 359.470 4.036 20 0 FIADMM CC(C)c1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)no1 ZINC000186081731 1119704538 /nfs/dbraw/zinc/70/45/38/1119704538.db2.gz NNWLFQVANZVZLJ-UHFFFAOYSA-N -1 1 366.805 4.361 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)C)ccc1C(=O)NC(C)C ZINC000189004742 1119814706 /nfs/dbraw/zinc/81/47/06/1119814706.db2.gz JVKPCPQCZLVQKS-UHFFFAOYSA-N -1 1 374.506 4.057 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1 ZINC000195448477 1120161274 /nfs/dbraw/zinc/16/12/74/1120161274.db2.gz CELATTZVECNPFN-UHFFFAOYSA-N -1 1 361.492 4.140 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2C)c1 ZINC000227870536 1120406978 /nfs/dbraw/zinc/40/69/78/1120406978.db2.gz SEODIBICGSMEOF-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccc(F)c(F)c3F)s2)c1 ZINC000465462829 1120410923 /nfs/dbraw/zinc/41/09/23/1120410923.db2.gz KJIUQFVMVLUPCK-UHFFFAOYSA-N -1 1 363.364 4.492 20 0 FIADMM CCC[C@H](C)c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000761843835 1120539449 /nfs/dbraw/zinc/53/94/49/1120539449.db2.gz CLRHLEIHVLZRBH-AWEZNQCLSA-N -1 1 371.462 4.441 20 0 FIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000761908023 1120575681 /nfs/dbraw/zinc/57/56/81/1120575681.db2.gz LCZRCMXFVZFVQS-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(CC2CCOCC2)no1 ZINC000761979206 1120606373 /nfs/dbraw/zinc/60/63/73/1120606373.db2.gz YUZXGYZIEKUUJR-UHFFFAOYSA-N -1 1 352.390 4.204 20 0 FIADMM CC[C@@H](C)CN(CC)C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000176612478 1120926628 /nfs/dbraw/zinc/92/66/28/1120926628.db2.gz MBTLIQDDRLPDMI-GFCCVEGCSA-N -1 1 366.918 4.156 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)Cc2ccccc2Cl)cc(Cl)c1[O-] ZINC000762576533 1120933764 /nfs/dbraw/zinc/93/37/64/1120933764.db2.gz NQBQCJYKHLRBGJ-LLVKDONJSA-N -1 1 368.260 4.459 20 0 FIADMM O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(Br)c([O-])c1 ZINC000750551886 1120996290 /nfs/dbraw/zinc/99/62/90/1120996290.db2.gz NXXBUPUSMPPGRJ-UHFFFAOYSA-N -1 1 374.190 4.167 20 0 FIADMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc2ccccc2cc1[O-] ZINC000030118859 1121055199 /nfs/dbraw/zinc/05/51/99/1121055199.db2.gz YEVFRAMPHCQHRZ-UHFFFAOYSA-N -1 1 374.440 4.214 20 0 FIADMM CC(C)NC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000030994655 1121072995 /nfs/dbraw/zinc/07/29/95/1121072995.db2.gz SGUSOKUPRFCNRH-UHFFFAOYSA-N -1 1 363.417 4.328 20 0 FIADMM COc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1OC(F)F ZINC000031744963 1121090900 /nfs/dbraw/zinc/09/09/00/1121090900.db2.gz BXRGBLKAADILFU-UHFFFAOYSA-N -1 1 373.355 4.085 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(F)=C1CCCC1 ZINC000763023921 1121091836 /nfs/dbraw/zinc/09/18/36/1121091836.db2.gz ATRBGCXNPUZPFX-UHFFFAOYSA-N -1 1 374.437 4.224 20 0 FIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1cccc(Cl)c1 ZINC000036760505 1121132660 /nfs/dbraw/zinc/13/26/60/1121132660.db2.gz BDRREUCTHBXQMM-UHFFFAOYSA-N -1 1 374.849 4.115 20 0 FIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000063147240 1121145749 /nfs/dbraw/zinc/14/57/49/1121145749.db2.gz ITWGKDZIDPSSNJ-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000055638593 1121258831 /nfs/dbraw/zinc/25/88/31/1121258831.db2.gz GXQVDXMJCPIKBG-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000046618206 1121286534 /nfs/dbraw/zinc/28/65/34/1121286534.db2.gz BPFOMPOANLIYIU-UHFFFAOYSA-N -1 1 361.441 4.367 20 0 FIADMM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000032631234 1121317421 /nfs/dbraw/zinc/31/74/21/1121317421.db2.gz KTURCESMXNLLFF-HXUWFJFHSA-N -1 1 366.417 4.282 20 0 FIADMM COc1ccccc1[C@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000916147187 1121428096 /nfs/dbraw/zinc/42/80/96/1121428096.db2.gz BFXVTNVXQVQAIF-NSHDSACASA-N -1 1 359.809 4.011 20 0 FIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)ccc21 ZINC000063476154 1121566059 /nfs/dbraw/zinc/56/60/59/1121566059.db2.gz WTOVQEQYAPFUGO-UHFFFAOYSA-N -1 1 356.447 4.055 20 0 FIADMM O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009903466 1121566627 /nfs/dbraw/zinc/56/66/27/1121566627.db2.gz ZEEBPVQEQCSVQS-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(C)c1 ZINC000037574410 1121582711 /nfs/dbraw/zinc/58/27/11/1121582711.db2.gz KZBQMDFCGJLQQO-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C(Nc1cc(F)c(Br)c(Cl)c1)c1ccc([O-])c(F)c1 ZINC000672327006 1121645086 /nfs/dbraw/zinc/64/50/86/1121645086.db2.gz DVPVPFOGZZNINO-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(Cl)cc1 ZINC000064938373 1121645215 /nfs/dbraw/zinc/64/52/15/1121645215.db2.gz JCBQZDNICUBCIB-UHFFFAOYSA-N -1 1 351.855 4.067 20 0 FIADMM CCN(Cc1ccccc1NC(=O)c1cc2ccccc2cc1[O-])C(C)=O ZINC000124223444 1121673756 /nfs/dbraw/zinc/67/37/56/1121673756.db2.gz PVMWCYCMKRNSRD-UHFFFAOYSA-N -1 1 362.429 4.166 20 0 FIADMM CCc1ccc(-c2nc(CS(=O)(=O)c3ccc([O-])cc3)cs2)cc1 ZINC000063927056 1121727476 /nfs/dbraw/zinc/72/74/76/1121727476.db2.gz RULGONNUKOWNGJ-UHFFFAOYSA-N -1 1 359.472 4.052 20 0 FIADMM CC(C)(C)c1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)no1 ZINC000072498639 1121891289 /nfs/dbraw/zinc/89/12/89/1121891289.db2.gz WONGEEYIDZOESA-UHFFFAOYSA-N -1 1 359.170 4.265 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1 ZINC000126825890 1122012533 /nfs/dbraw/zinc/01/25/33/1122012533.db2.gz ZNROIRFNXBLSJS-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM COc1cc(C)c(CN(C)C(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000127070825 1122041525 /nfs/dbraw/zinc/04/15/25/1122041525.db2.gz KYOGAQUIDWTMPR-UHFFFAOYSA-N -1 1 365.429 4.143 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2CCC(C)CC2)cc1 ZINC000055491231 1122250116 /nfs/dbraw/zinc/25/01/16/1122250116.db2.gz RFSFSKZPFTYBJT-UHFFFAOYSA-N -1 1 372.538 4.249 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c(C)c1 ZINC000055586261 1122255699 /nfs/dbraw/zinc/25/56/99/1122255699.db2.gz RKSIFHROOYICRI-UHFFFAOYSA-N -1 1 360.435 4.069 20 0 FIADMM COc1cc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)c(OC)cc1Cl ZINC000917726166 1122419158 /nfs/dbraw/zinc/41/91/58/1122419158.db2.gz BMVWVFCLBAGUHV-CMDGGOBGSA-N -1 1 367.854 4.078 20 0 FIADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670420424 1122485747 /nfs/dbraw/zinc/48/57/47/1122485747.db2.gz SZBPWTGKADRLKM-LLVKDONJSA-N -1 1 355.278 4.214 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccn(C)c2C2CCC2)c1 ZINC000498215884 1122630415 /nfs/dbraw/zinc/63/04/15/1122630415.db2.gz KBNKXMUSDSZQJL-UHFFFAOYSA-N -1 1 363.255 4.321 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000556661055 1123029686 /nfs/dbraw/zinc/02/96/86/1123029686.db2.gz MQEJHZMEWGDHNN-UHFFFAOYSA-N -1 1 370.412 4.460 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1 ZINC000499282254 1123406829 /nfs/dbraw/zinc/40/68/29/1123406829.db2.gz IBHFEJQGKQSJOW-UHFFFAOYSA-N -1 1 372.446 4.177 20 0 FIADMM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1c([O-])cccc1Cl ZINC000920462727 1123459665 /nfs/dbraw/zinc/45/96/65/1123459665.db2.gz IVUQXYAIQTXFAF-CYBMUJFWSA-N -1 1 366.642 4.225 20 0 FIADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000920464388 1123460310 /nfs/dbraw/zinc/46/03/10/1123460310.db2.gz NLPWQUVLJHLXEN-SNVBAGLBSA-N -1 1 373.758 4.478 20 0 FIADMM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000921150986 1123572625 /nfs/dbraw/zinc/57/26/25/1123572625.db2.gz XMTQWFLMQDYCEX-QFIPXVFZSA-N -1 1 365.477 4.077 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccc(Cl)s1 ZINC000135508395 1123768640 /nfs/dbraw/zinc/76/86/40/1123768640.db2.gz UEUWDTRJRROHOF-UHFFFAOYSA-N -1 1 363.798 4.016 20 0 FIADMM CCCCCC[C@H](C)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000175245193 1123787683 /nfs/dbraw/zinc/78/76/83/1123787683.db2.gz RYQVRYLIZDZLGS-NSHDSACASA-N -1 1 367.544 4.070 20 0 FIADMM O=C(Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1)NC1CC1 ZINC000078742521 1123806301 /nfs/dbraw/zinc/80/63/01/1123806301.db2.gz OGYXCDOUARWDSL-UHFFFAOYSA-N -1 1 361.401 4.082 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000615394265 1124000599 /nfs/dbraw/zinc/00/05/99/1124000599.db2.gz VZZXIBAICSSZHA-KPZWWZAWSA-N -1 1 370.474 4.128 20 0 FIADMM CCCc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc1 ZINC000068435818 1124233334 /nfs/dbraw/zinc/23/33/34/1124233334.db2.gz XKTULKCFZOGBDE-UHFFFAOYSA-N -1 1 372.538 4.494 20 0 FIADMM CCOc1cc(C(=O)NNc2ccccc2C(F)(F)F)cc(Cl)c1[O-] ZINC000186446258 1124339068 /nfs/dbraw/zinc/33/90/68/1124339068.db2.gz FWXVJTIXQJQEAQ-UHFFFAOYSA-N -1 1 374.746 4.220 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)s1 ZINC000617311097 1124507403 /nfs/dbraw/zinc/50/74/03/1124507403.db2.gz BGRKXAUUIMQNTO-UHFFFAOYSA-N -1 1 362.842 4.396 20 0 FIADMM O=C([O-])CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CCC1 ZINC000656100442 1124581059 /nfs/dbraw/zinc/58/10/59/1124581059.db2.gz MILPJVNDIPMRJF-UHFFFAOYSA-N -1 1 353.340 4.405 20 0 FIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2)co1 ZINC000110097479 1124714303 /nfs/dbraw/zinc/71/43/03/1124714303.db2.gz HMKKLVXPNRXKAK-UHFFFAOYSA-N -1 1 372.446 4.238 20 0 FIADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc3ccccc3c1[O-])CCC2 ZINC000110527702 1124753206 /nfs/dbraw/zinc/75/32/06/1124753206.db2.gz VGQHLMCOBZRFEN-QGZVFWFLSA-N -1 1 352.459 4.460 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3ccccc3F)n2)s1 ZINC000063783736 1124950963 /nfs/dbraw/zinc/95/09/63/1124950963.db2.gz ZJDJGQICWSGEHS-UHFFFAOYSA-N -1 1 362.455 4.351 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000064375125 1124995601 /nfs/dbraw/zinc/99/56/01/1124995601.db2.gz XFYYGFZKXJDEGG-UHFFFAOYSA-N -1 1 363.332 4.044 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3CC=CC3)ccc2C)c1 ZINC000076939851 1125071769 /nfs/dbraw/zinc/07/17/69/1125071769.db2.gz MFPYMFVTFDIHAX-UHFFFAOYSA-N -1 1 370.474 4.009 20 0 FIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(F)c(Cl)c1 ZINC000064938388 1125105435 /nfs/dbraw/zinc/10/54/35/1125105435.db2.gz WDMZDTRTSYOOJV-UHFFFAOYSA-N -1 1 369.845 4.207 20 0 FIADMM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000672513810 1125149128 /nfs/dbraw/zinc/14/91/28/1125149128.db2.gz OFANEBIUGZDAHK-LLVKDONJSA-N -1 1 355.331 4.253 20 0 FIADMM [O-]c1cccnc1-c1nc(-c2cc(F)c(Br)cc2Cl)no1 ZINC001212480970 1125296678 /nfs/dbraw/zinc/29/66/78/1125296678.db2.gz SEFNIQINRBDCJY-UHFFFAOYSA-N -1 1 370.565 4.059 20 0 FIADMM O=S(=O)([N-][C@H]1CCCC12CCCCC2)c1cnc(Cl)cc1Cl ZINC001212487809 1125456349 /nfs/dbraw/zinc/45/63/49/1125456349.db2.gz GAKFREDRLPWZKS-ZDUSSCGKSA-N -1 1 363.310 4.170 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(Cc2ccccc2)CC1 ZINC000011639394 219923736 /nfs/dbraw/zinc/92/37/36/219923736.db2.gz PCHLLPDYSWUWEB-UHFFFAOYSA-N -1 1 374.278 4.250 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cccs1 ZINC000060738725 212023393 /nfs/dbraw/zinc/02/33/93/212023393.db2.gz UCVMWHLLTMCQFS-UHFFFAOYSA-N -1 1 373.434 4.231 20 0 FIADMM C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000603961847 568190527 /nfs/dbraw/zinc/19/05/27/568190527.db2.gz TWCKTTCLYHMUDU-SJORKVTESA-N -1 1 372.509 4.213 20 0 FIADMM CC(C)(C)C[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC001589764719 988106464 /nfs/dbraw/zinc/10/64/64/988106464.db2.gz UPPOSNXOXYRFRQ-AWEZNQCLSA-N -1 1 371.481 4.070 20 0 FIADMM COc1ccc(N[C@H](CC(C)C)c2cccs2)cc1[N-]S(C)(=O)=O ZINC000182733769 1125615405 /nfs/dbraw/zinc/61/54/05/1125615405.db2.gz JMXZWQUPGOOCJS-OAHLLOKOSA-N -1 1 368.524 4.328 20 0 FIADMM COc1cc(C(F)(F)F)ncc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000683083307 1079559261 /nfs/dbraw/zinc/55/92/61/1079559261.db2.gz RPXAMALUASCZMG-UHFFFAOYSA-N -1 1 361.707 4.112 20 0 FIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccco4)s3)cs2)cc1 ZINC000053209740 1079588267 /nfs/dbraw/zinc/58/82/67/1079588267.db2.gz HZRJRZHFNICGBO-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM Cc1cccc(Cl)c1CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683112379 1079599548 /nfs/dbraw/zinc/59/95/48/1079599548.db2.gz LGKSPLUFCBDZOO-UHFFFAOYSA-N -1 1 371.864 4.018 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cc(C(F)(F)F)ccc2F)cc1 ZINC000683170765 1079797293 /nfs/dbraw/zinc/79/72/93/1079797293.db2.gz AEBQKQOQUQJVLZ-INIZCTEOSA-N -1 1 371.330 4.159 20 0 FIADMM Cc1cc(C(F)(F)F)ccc1CN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000683174662 1079812845 /nfs/dbraw/zinc/81/28/45/1079812845.db2.gz WJEMPZPGMZURJL-OAHLLOKOSA-N -1 1 359.294 4.208 20 0 FIADMM O=C([O-])c1cccc(CNCc2cc(Br)c(Cl)s2)c1 ZINC000683176851 1079826966 /nfs/dbraw/zinc/82/69/66/1079826966.db2.gz ULRKBNSDKPJVKX-UHFFFAOYSA-N -1 1 360.660 4.152 20 0 FIADMM Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000182865951 1080242478 /nfs/dbraw/zinc/24/24/78/1080242478.db2.gz FAZBGTVHVHSSQT-UHFFFAOYSA-N -1 1 361.854 4.091 20 0 FIADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182932971 1080455556 /nfs/dbraw/zinc/45/55/56/1080455556.db2.gz ILOURQSFONPWRJ-NSHDSACASA-N -1 1 356.260 4.187 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(Cl)cc1F ZINC000180290875 1080475869 /nfs/dbraw/zinc/47/58/69/1080475869.db2.gz VBIMRNJFOMHYFV-UHFFFAOYSA-N -1 1 369.632 4.290 20 0 FIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CCCCC1 ZINC000021941632 1080678140 /nfs/dbraw/zinc/67/81/40/1080678140.db2.gz ZYJGBVHMSPWGDJ-UHFFFAOYSA-N -1 1 368.458 4.275 20 0 FIADMM C[C@@H](CC1CCCCC1)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683630018 1081275952 /nfs/dbraw/zinc/27/59/52/1081275952.db2.gz MRFJGIDGJJLDQC-INIZCTEOSA-N -1 1 372.509 4.355 20 0 FIADMM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(F)c2[O-])CC1=O ZINC001648847491 1081288297 /nfs/dbraw/zinc/28/82/97/1081288297.db2.gz QCDJZMKNZYLKIL-KGLIPLIRSA-N -1 1 370.424 4.036 20 0 FIADMM Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccncc4[O-])cc3)o2)c1 ZINC000109889038 1081300125 /nfs/dbraw/zinc/30/01/25/1081300125.db2.gz HJHZWYVMEDZTLV-UHFFFAOYSA-N -1 1 372.384 4.065 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](c2cccnc2)C1 ZINC001648870553 1081332174 /nfs/dbraw/zinc/33/21/74/1081332174.db2.gz BMJSAQNZLNTQGU-CQSZACIVSA-N -1 1 367.836 4.009 20 0 FIADMM Cc1cnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)[n-]c1=O ZINC000580096534 1081589218 /nfs/dbraw/zinc/58/92/18/1081589218.db2.gz IGHHSQRSEJOYTJ-UHFFFAOYSA-N -1 1 363.527 4.077 20 0 FIADMM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)[N-]OCC1CCC1)OCC3 ZINC001167368656 1081756374 /nfs/dbraw/zinc/75/63/74/1081756374.db2.gz DVSHSAVZHYXCCY-QFIPXVFZSA-N -1 1 370.493 4.146 20 0 FIADMM COc1ccc(F)cc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000580249430 1081780666 /nfs/dbraw/zinc/78/06/66/1081780666.db2.gz BXCLRGBZVNXVTJ-UHFFFAOYSA-N -1 1 374.593 4.208 20 0 FIADMM CN1CCN(c2ccccc2Nc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001210926173 1081855165 /nfs/dbraw/zinc/85/51/65/1081855165.db2.gz BFNXFQDDFJQWIN-UHFFFAOYSA-N -1 1 352.265 4.194 20 0 FIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc(C2CC2)on1 ZINC000580394273 1081920689 /nfs/dbraw/zinc/92/06/89/1081920689.db2.gz JWKFVCVVXLDCHH-AWEZNQCLSA-N -1 1 366.446 4.124 20 0 FIADMM O=C([O-])C[C@@H](NCc1cccc(F)c1F)c1cccc(Br)c1 ZINC000580512027 1081988477 /nfs/dbraw/zinc/98/84/77/1081988477.db2.gz AIQPIIUULHLBMV-CQSZACIVSA-N -1 1 370.193 4.033 20 0 FIADMM CN(Cc1ccccc1NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000684073347 1082157033 /nfs/dbraw/zinc/15/70/33/1082157033.db2.gz BYSYYKYMNFFPSI-UHFFFAOYSA-N -1 1 350.393 4.420 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc2c(c1)CCCC2 ZINC000048230701 1082292237 /nfs/dbraw/zinc/29/22/37/1082292237.db2.gz WLSVXXBTOZSBOD-UHFFFAOYSA-N -1 1 354.431 4.021 20 0 FIADMM CCc1nc(CNCc2ccc(-c3scnc3C)cc2)ccc1C(=O)[O-] ZINC000656565504 1082581040 /nfs/dbraw/zinc/58/10/40/1082581040.db2.gz NRVBJMPXVUEVFO-UHFFFAOYSA-N -1 1 367.474 4.064 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(OC2CC2)c1F)c1cccc(Cl)c1 ZINC000656565886 1082582581 /nfs/dbraw/zinc/58/25/81/1082582581.db2.gz XBUKVOIJLAJFNN-INIZCTEOSA-N -1 1 363.816 4.326 20 0 FIADMM O=C([N-][C@H]1CCCOc2cc(F)ccc21)C(F)(F)c1cc(F)cc(F)c1 ZINC001266739478 1082600109 /nfs/dbraw/zinc/60/01/09/1082600109.db2.gz YSBFLSGXCTUNJJ-HNNXBMFYSA-N -1 1 371.305 4.226 20 0 FIADMM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3c([O-])cccc3F)cc12 ZINC000605438435 1082695624 /nfs/dbraw/zinc/69/56/24/1082695624.db2.gz TWSJPUHSOARWAD-UHFFFAOYSA-N -1 1 367.405 4.492 20 0 FIADMM CC[C@](C)([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1nccs1 ZINC000933323010 1082698949 /nfs/dbraw/zinc/69/89/49/1082698949.db2.gz VRIKSNRBPHPDKQ-AWEZNQCLSA-N -1 1 359.829 4.033 20 0 FIADMM CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000581635978 1082733863 /nfs/dbraw/zinc/73/38/63/1082733863.db2.gz CBBXDLZVPAUFCW-JTQLQIEISA-N -1 1 367.421 4.363 20 0 FIADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCC2(CCCC2)CC1 ZINC000656759087 1082752456 /nfs/dbraw/zinc/75/24/56/1082752456.db2.gz WULZOKQDDDFEDC-UHFFFAOYSA-N -1 1 355.482 4.301 20 0 FIADMM CC[C@@H](CC(=O)N1CCC[C@H](c2n[n-]c(=S)n2CC)C1)c1ccccc1 ZINC000078622221 1082831457 /nfs/dbraw/zinc/83/14/57/1082831457.db2.gz PHBZIPXKWJPWHC-RDJZCZTQSA-N -1 1 372.538 4.250 20 0 FIADMM Cc1nnc([C@H](C)[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)s1 ZINC000843578384 1082945231 /nfs/dbraw/zinc/94/52/31/1082945231.db2.gz CIVHLWGMDQHYGH-LURJTMIESA-N -1 1 366.220 4.123 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1Br)c1ccccc1 ZINC000090251201 1082958068 /nfs/dbraw/zinc/95/80/68/1082958068.db2.gz AXMJIKZABKVXSO-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM CCc1cccc2c(C3CCN(C(=O)c4ncc(C)cc4[O-])CC3)c[nH]c21 ZINC000548303225 1082984259 /nfs/dbraw/zinc/98/42/59/1082984259.db2.gz QNHZTKOIGUYPEA-UHFFFAOYSA-N -1 1 363.461 4.159 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)oc1C ZINC000054294062 1083103139 /nfs/dbraw/zinc/10/31/39/1083103139.db2.gz ZBDPGTMBEVWMTE-UHFFFAOYSA-N -1 1 364.373 4.037 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3C[C@H](c4ccc(F)cc4)C3)nc2)[n-]c(=O)c1C ZINC000520944541 1083320637 /nfs/dbraw/zinc/32/06/37/1083320637.db2.gz ZLWJIORKOVZVCB-SAABIXHNSA-N -1 1 364.424 4.358 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Br)ccc2F)s1 ZINC000431162081 1083360459 /nfs/dbraw/zinc/36/04/59/1083360459.db2.gz HEIHUCWHUNFCCM-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000247514850 1083407151 /nfs/dbraw/zinc/40/71/51/1083407151.db2.gz WEFFWXAVHUWGOS-BFYDXBDKSA-N -1 1 372.538 4.247 20 0 FIADMM COc1ccc(-c2nsc([N-]C(=O)c3coc(C4CCCC4)n3)n2)cc1 ZINC000548869820 1083433698 /nfs/dbraw/zinc/43/36/98/1083433698.db2.gz FKVYEVUEIHAPMO-UHFFFAOYSA-N -1 1 370.434 4.112 20 0 FIADMM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(F)ccc1[O-] ZINC000081958287 1083537749 /nfs/dbraw/zinc/53/77/49/1083537749.db2.gz LDFJDYVRJPYLFU-UHFFFAOYSA-N -1 1 371.412 4.192 20 0 FIADMM COc1ccc(-c2nsc([N-]C(=O)c3c(F)ccc(C)c3F)n2)cc1 ZINC000535750176 1083625807 /nfs/dbraw/zinc/62/58/07/1083625807.db2.gz UWKFNQXRMPXKSH-UHFFFAOYSA-N -1 1 361.373 4.053 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000612382908 1083761467 /nfs/dbraw/zinc/76/14/67/1083761467.db2.gz QIUPYWQQWANUCG-PMOLBWCYSA-N -1 1 355.478 4.030 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H](c2cccc(F)c2)C1 ZINC000548943245 1083931886 /nfs/dbraw/zinc/93/18/86/1083931886.db2.gz JAYDMWHORSIBIA-ZDUSSCGKSA-N -1 1 370.811 4.363 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H](c2ccccc2)C1 ZINC000548948767 1083950651 /nfs/dbraw/zinc/95/06/51/1083950651.db2.gz MPMKJTMVMOFJBW-CQSZACIVSA-N -1 1 352.821 4.224 20 0 FIADMM [O-]c1ccc(-c2noc(C3(Cc4ccc(F)cc4)CCOCC3)n2)cc1F ZINC000570349335 1084051068 /nfs/dbraw/zinc/05/10/68/1084051068.db2.gz KEDUBDBYQSFIGY-UHFFFAOYSA-N -1 1 372.371 4.011 20 0 FIADMM CCc1nc(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)[n-]c(=O)c1C ZINC000657264955 1084138115 /nfs/dbraw/zinc/13/81/15/1084138115.db2.gz UBPJMQFLQPTXLA-KRWDZBQOSA-N -1 1 373.522 4.425 20 0 FIADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN(C)[C@@H](C)C(=O)[O-] ZINC000582186613 1084750365 /nfs/dbraw/zinc/75/03/65/1084750365.db2.gz JGIVYENIEXUPLY-JTQLQIEISA-N -1 1 358.385 4.042 20 0 FIADMM Cc1cc([C@H](C)N(C)Cc2cc(Br)cs2)oc1C(=O)[O-] ZINC000582246977 1084793358 /nfs/dbraw/zinc/79/33/58/1084793358.db2.gz WZJPAHKUEMIGPD-VIFPVBQESA-N -1 1 358.257 4.303 20 0 FIADMM CCOc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000472550027 1084795014 /nfs/dbraw/zinc/79/50/14/1084795014.db2.gz JTOBQWCNFIJSGC-UHFFFAOYSA-N -1 1 365.788 4.185 20 0 FIADMM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000175238965 1084911804 /nfs/dbraw/zinc/91/18/04/1084911804.db2.gz CSSJZOKLDAJQMI-AREMUKBSSA-N -1 1 369.417 4.091 20 0 FIADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000175548624 1084965290 /nfs/dbraw/zinc/96/52/90/1084965290.db2.gz HRCALWXLTSMATI-IYJVBRSBSA-N -1 1 367.470 4.116 20 0 FIADMM COc1ccc([C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C2CC2)cc1 ZINC000684870605 1084999436 /nfs/dbraw/zinc/99/94/36/1084999436.db2.gz LRMMCIUBQZNBHJ-KRWDZBQOSA-N -1 1 365.351 4.301 20 0 FIADMM COc1ccc([C@H]2CCN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)C2)cc1 ZINC000684873108 1085006721 /nfs/dbraw/zinc/00/67/21/1085006721.db2.gz TZKXRYTZYSJCAW-AWEZNQCLSA-N -1 1 365.351 4.049 20 0 FIADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000684872882 1085007008 /nfs/dbraw/zinc/00/70/08/1085007008.db2.gz BBALKUUZWULFSX-SECBINFHSA-N -1 1 358.385 4.318 20 0 FIADMM COCCCOc1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684875811 1085012487 /nfs/dbraw/zinc/01/24/87/1085012487.db2.gz OHLZHJGNONKZAH-UHFFFAOYSA-N -1 1 369.339 4.079 20 0 FIADMM Cc1cnc([C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C2CC2)s1 ZINC000684876566 1085015929 /nfs/dbraw/zinc/01/59/29/1085015929.db2.gz XNZNAYHQRJRAJJ-ZDUSSCGKSA-N -1 1 356.369 4.057 20 0 FIADMM COc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1OC(C)C ZINC000684877740 1085020900 /nfs/dbraw/zinc/02/09/00/1085020900.db2.gz WGVYJTFVNVXXDV-UHFFFAOYSA-N -1 1 369.339 4.459 20 0 FIADMM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877508 1085021178 /nfs/dbraw/zinc/02/11/78/1085021178.db2.gz PPDJPEVCTXBFEC-UHFFFAOYSA-N -1 1 353.344 4.054 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000511129542 1085030271 /nfs/dbraw/zinc/03/02/71/1085030271.db2.gz HXDCFQIZTRTGQA-UHFFFAOYSA-N -1 1 361.797 4.208 20 0 FIADMM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078294494 1085692281 /nfs/dbraw/zinc/69/22/81/1085692281.db2.gz IWUDBWBPGODBBQ-BEFAXECRSA-N -1 1 374.488 4.140 20 0 FIADMM CS[C@H](C)CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000582787218 1085723027 /nfs/dbraw/zinc/72/30/27/1085723027.db2.gz BOGLCPVHAOABPJ-SSDOTTSWSA-N -1 1 352.681 4.278 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1F ZINC000048653545 1085913052 /nfs/dbraw/zinc/91/30/52/1085913052.db2.gz GISPRJLQSDPVAF-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434680 1086043702 /nfs/dbraw/zinc/04/37/02/1086043702.db2.gz BTUNFIWTCLLHBM-ZDUSSCGKSA-N -1 1 351.855 4.061 20 0 FIADMM COC(=O)c1ccc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)o1 ZINC000432294881 1086072303 /nfs/dbraw/zinc/07/23/03/1086072303.db2.gz FGSDWYKVQRXHNG-UHFFFAOYSA-N -1 1 353.827 4.472 20 0 FIADMM [O-]C(=Nc1cc(C2CC2)[nH]n1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000583057197 1086098636 /nfs/dbraw/zinc/09/86/36/1086098636.db2.gz JVAZJJJPLOFZCH-UHFFFAOYSA-N -1 1 373.869 4.054 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000028259930 1086307000 /nfs/dbraw/zinc/30/70/00/1086307000.db2.gz FOFXJJMZNATZEZ-UHFFFAOYSA-N -1 1 361.463 4.208 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2C)n1 ZINC000150798429 1086331386 /nfs/dbraw/zinc/33/13/86/1086331386.db2.gz IIDWMAUTVQOSCH-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C([O-])CC[C@@H](CNCc1ccc(F)c(Cl)c1Cl)C(F)(F)F ZINC000663263376 1086347803 /nfs/dbraw/zinc/34/78/03/1086347803.db2.gz ZHVRCZXEMCZREC-QMMMGPOBSA-N -1 1 362.150 4.265 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662219514 1086351103 /nfs/dbraw/zinc/35/11/03/1086351103.db2.gz YQTDNPFAVWPVML-INIZCTEOSA-N -1 1 360.498 4.022 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2ccc(Br)s2)[n-]1 ZINC000562042897 1086363485 /nfs/dbraw/zinc/36/34/85/1086363485.db2.gz CKQCQVRTWXZVDJ-UHFFFAOYSA-N -1 1 353.213 4.236 20 0 FIADMM Cc1cc(C(F)F)oc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC001126236442 1086445339 /nfs/dbraw/zinc/44/53/39/1086445339.db2.gz GKXASUJGCPQTOH-UHFFFAOYSA-N -1 1 353.325 4.436 20 0 FIADMM CC(C)C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)N1CCCCC1=O ZINC000278163727 1086479766 /nfs/dbraw/zinc/47/97/66/1086479766.db2.gz NAXDRWQAIIJTBG-OAHLLOKOSA-N -1 1 363.845 4.195 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)cc1 ZINC000150873462 1086521615 /nfs/dbraw/zinc/52/16/15/1086521615.db2.gz XVWPMMDCQKLOHA-AWEZNQCLSA-N -1 1 374.506 4.011 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](c2ccsc2)O1 ZINC000150871964 1086521684 /nfs/dbraw/zinc/52/16/84/1086521684.db2.gz KHSZMLPWSOEXKN-FZKQIMNGSA-N -1 1 353.443 4.209 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1CC ZINC000535988078 1086530969 /nfs/dbraw/zinc/53/09/69/1086530969.db2.gz WGVOUWYBUZHAFM-UHFFFAOYSA-N -1 1 356.447 4.267 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2c([O-])cccc2F)s1 ZINC000092551067 1086569312 /nfs/dbraw/zinc/56/93/12/1086569312.db2.gz YSEHRSUUCNWERJ-UHFFFAOYSA-N -1 1 356.422 4.453 20 0 FIADMM Cc1sc([C@@H](C)N[C@H](C(=O)[O-])C2CC2)nc1-c1ccc(Cl)cc1 ZINC000635017274 1086751487 /nfs/dbraw/zinc/75/14/87/1086751487.db2.gz STHIKJUHKBBBTK-PSLIRLAXSA-N -1 1 350.871 4.286 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000428333237 1086782913 /nfs/dbraw/zinc/78/29/13/1086782913.db2.gz UKCLPBKFSAUITD-CJNGLKHVSA-N -1 1 359.853 4.381 20 0 FIADMM CC(C)C(=O)c1ccc([C@H](C)C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000549630178 1086833500 /nfs/dbraw/zinc/83/35/00/1086833500.db2.gz ULUFXAWDLFSRCF-ZDUSSCGKSA-N -1 1 367.474 4.141 20 0 FIADMM COc1ccc(-c2csc3[n-]c(-c4cscn4)nc(=O)c23)cc1OC ZINC000432515088 1086905213 /nfs/dbraw/zinc/90/52/13/1086905213.db2.gz OPLQJTWEYXABJU-UHFFFAOYSA-N -1 1 371.443 4.205 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2nnc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000584022491 1087113232 /nfs/dbraw/zinc/11/32/32/1087113232.db2.gz RWOMQJZWASISSU-UHFFFAOYSA-N -1 1 370.768 4.116 20 0 FIADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC000084760275 1087358093 /nfs/dbraw/zinc/35/80/93/1087358093.db2.gz AJOZOSYYSVGDSK-YXMMZVCTSA-N -1 1 370.522 4.079 20 0 FIADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4O)C3)[nH]c2c1 ZINC000171197255 1087518938 /nfs/dbraw/zinc/51/89/38/1087518938.db2.gz WAXWSSCQLWQOSE-CYBMUJFWSA-N -1 1 369.852 4.250 20 0 FIADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4[O-])C3)[nH]c2c1 ZINC000171197255 1087518944 /nfs/dbraw/zinc/51/89/44/1087518944.db2.gz WAXWSSCQLWQOSE-CYBMUJFWSA-N -1 1 369.852 4.250 20 0 FIADMM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(O)c3)cc2)c1 ZINC000612051127 1087723746 /nfs/dbraw/zinc/72/37/46/1087723746.db2.gz KRCCITOITAODPI-UHFFFAOYSA-N -1 1 355.415 4.294 20 0 FIADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ccccc1OC(F)(F)F ZINC000799916577 1087788437 /nfs/dbraw/zinc/78/84/37/1087788437.db2.gz KSSZIHSQEIEUJJ-MDZDMXLPSA-N -1 1 361.316 4.137 20 0 FIADMM CN(C)Cc1cnc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)s1 ZINC000504722745 1087822883 /nfs/dbraw/zinc/82/28/83/1087822883.db2.gz WRZSNAPDGOJCDG-XFXZXTDPSA-N -1 1 373.503 4.220 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](SCC)C2)cc(Cl)c1[O-] ZINC000186850350 1088011388 /nfs/dbraw/zinc/01/13/88/1088011388.db2.gz DNZYSBARVABAGL-CHWSQXEVSA-N -1 1 357.903 4.238 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@H]2c2cccc(C)n2)cc(Cl)c1[O-] ZINC000186874687 1088032746 /nfs/dbraw/zinc/03/27/46/1088032746.db2.gz KEIHIUOHULNMIE-INIZCTEOSA-N -1 1 360.841 4.125 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000177079086 1088202583 /nfs/dbraw/zinc/20/25/83/1088202583.db2.gz NXIUMFIINBNQRJ-UHFFFAOYSA-N -1 1 374.799 4.346 20 0 FIADMM COc1ccc(Sc2nsc([N-]C(=O)c3ccc(Cl)o3)n2)cc1 ZINC000177332904 1088290749 /nfs/dbraw/zinc/29/07/49/1088290749.db2.gz VOXAQVXPBDVWAR-UHFFFAOYSA-N -1 1 367.839 4.197 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000031669127 1088656606 /nfs/dbraw/zinc/65/66/06/1088656606.db2.gz CNAWTMALIKPMRP-UHFFFAOYSA-N -1 1 366.870 4.044 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1c1cccs1 ZINC000180332108 1088772482 /nfs/dbraw/zinc/77/24/82/1088772482.db2.gz LOQSFSXVWGLBME-LBPRGKRZSA-N -1 1 352.253 4.194 20 0 FIADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000180524294 1088776918 /nfs/dbraw/zinc/77/69/18/1088776918.db2.gz ADHGSQUWNXHWJX-VIFPVBQESA-N -1 1 358.385 4.318 20 0 FIADMM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc([O-])cc1F ZINC000181132309 1088780747 /nfs/dbraw/zinc/78/07/47/1088780747.db2.gz YUTUBJRDSQQXEN-UHFFFAOYSA-N -1 1 368.389 4.331 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000181042906 1088784542 /nfs/dbraw/zinc/78/45/42/1088784542.db2.gz XYTZKDOZQOQCKF-UHFFFAOYSA-N -1 1 356.422 4.161 20 0 FIADMM O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc([O-])cc1F ZINC000181078199 1088785491 /nfs/dbraw/zinc/78/54/91/1088785491.db2.gz HFEVSHNTIHGPGE-UHFFFAOYSA-N -1 1 354.406 4.471 20 0 FIADMM CC(C)c1nc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cs1 ZINC000659798169 1088878215 /nfs/dbraw/zinc/87/82/15/1088878215.db2.gz XMMSTHFMHSFCCJ-CVEARBPZSA-N -1 1 364.898 4.220 20 0 FIADMM Cc1noc(-c2ccccc2)c1NC(=O)c1cc(Br)ccc1[O-] ZINC000183388376 1088995186 /nfs/dbraw/zinc/99/51/86/1088995186.db2.gz HICRBCQSIARDPF-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM CCOc1cc(C(=O)N2CCC(C)=C(c3ccco3)C2)cc(Cl)c1[O-] ZINC000549162187 1089077509 /nfs/dbraw/zinc/07/75/09/1089077509.db2.gz LBWJPHVGZSSUTN-UHFFFAOYSA-N -1 1 361.825 4.357 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)cc2F)cc1 ZINC000066779772 1089148636 /nfs/dbraw/zinc/14/86/36/1089148636.db2.gz NVPLQYYUWBACIO-UHFFFAOYSA-N -1 1 370.453 4.392 20 0 FIADMM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc2oc3ccccc3c2c1 ZINC000514529955 1089189441 /nfs/dbraw/zinc/18/94/41/1089189441.db2.gz FCTXXSHXFBQDJS-UHFFFAOYSA-N -1 1 363.398 4.263 20 0 FIADMM COC[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1cccc(Cl)c1 ZINC000644590666 1089588377 /nfs/dbraw/zinc/58/83/77/1089588377.db2.gz NFKLONNMFMCOGS-CQSZACIVSA-N -1 1 373.758 4.182 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H](CC(F)(F)F)C1 ZINC000549355529 1089904134 /nfs/dbraw/zinc/90/41/34/1089904134.db2.gz VYCYXONNCIRZDD-SECBINFHSA-N -1 1 358.747 4.008 20 0 FIADMM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc([O-])c(F)cc1F ZINC001625894217 1090031670 /nfs/dbraw/zinc/03/16/70/1090031670.db2.gz SMDPJRPLYXUOON-UHFFFAOYSA-N -1 1 364.348 4.114 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2nc(-c3c(F)cccc3F)cs2)n1 ZINC000188097840 1090169220 /nfs/dbraw/zinc/16/92/20/1090169220.db2.gz VEICBYCNIUYHDX-UHFFFAOYSA-N -1 1 365.430 4.026 20 0 FIADMM COC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1F ZINC000180605441 1090222254 /nfs/dbraw/zinc/22/22/54/1090222254.db2.gz WVFYVLHMVWCWDE-UHFFFAOYSA-N -1 1 354.337 4.115 20 0 FIADMM COc1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000660024595 1090424370 /nfs/dbraw/zinc/42/43/70/1090424370.db2.gz YDJYIVWCYAWURW-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCCOc3ccccc32)cc(Cl)c1[O-] ZINC000186741963 1090682239 /nfs/dbraw/zinc/68/22/39/1090682239.db2.gz IAJIVVCDSGFESE-OAHLLOKOSA-N -1 1 361.825 4.088 20 0 FIADMM COCc1ccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000417559467 1090925116 /nfs/dbraw/zinc/92/51/16/1090925116.db2.gz IINMLMNPQOXKNX-HNNXBMFYSA-N -1 1 358.221 4.038 20 0 FIADMM CC(C)(C)n1cc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000417565436 1090929034 /nfs/dbraw/zinc/92/90/34/1090929034.db2.gz PMJXNXLDOPAWSM-HNNXBMFYSA-N -1 1 370.280 4.251 20 0 FIADMM Cc1nn(C(C)C)cc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417587029 1090932934 /nfs/dbraw/zinc/93/29/34/1090932934.db2.gz NJHZOZVIXIFGQX-MRXNPFEDSA-N -1 1 369.387 4.097 20 0 FIADMM CCCOc1c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cccc1OCC ZINC000417623743 1090942416 /nfs/dbraw/zinc/94/24/16/1090942416.db2.gz PPEIHHXWRUMSTL-RBUKOAKNSA-N -1 1 369.461 4.277 20 0 FIADMM Cc1ncsc1CN[C@@H](CSCc1cccc2ccccc21)C(=O)[O-] ZINC000417624012 1090942744 /nfs/dbraw/zinc/94/27/44/1090942744.db2.gz ODYSAPHFXFFJEV-KRWDZBQOSA-N -1 1 372.515 4.081 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2F)c2ccccc21 ZINC000417624260 1090947391 /nfs/dbraw/zinc/94/73/91/1090947391.db2.gz QKSQYBPYDBTGMM-GDBMZVCRSA-N -1 1 353.315 4.247 20 0 FIADMM CC(C)=CCSC[C@@H](NCc1cnc(-c2ccsc2)s1)C(=O)[O-] ZINC000417624600 1090947567 /nfs/dbraw/zinc/94/75/67/1090947567.db2.gz KPNATGRFBWQVBX-CQSZACIVSA-N -1 1 368.549 4.114 20 0 FIADMM O=Cc1cccc(OCc2ccccc2C(=O)Nc2c([O-])cccc2F)c1 ZINC000092551430 1091005847 /nfs/dbraw/zinc/00/58/47/1091005847.db2.gz HCFHHCMHOSBGAT-UHFFFAOYSA-N -1 1 365.360 4.175 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C2CCC(C)CC2)cc1 ZINC000053638667 1091285594 /nfs/dbraw/zinc/28/55/94/1091285594.db2.gz OBXRGXDLTHKSBK-UHFFFAOYSA-N -1 1 372.538 4.343 20 0 FIADMM CCSc1cccc(Br)c1[N-]C(=O)c1conc1CC ZINC000637279136 1091778945 /nfs/dbraw/zinc/77/89/45/1091778945.db2.gz NFQKDRNSZMWXSD-UHFFFAOYSA-N -1 1 355.257 4.364 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000187079771 1091807232 /nfs/dbraw/zinc/80/72/32/1091807232.db2.gz PSXSGGXJQPIFLO-UHFFFAOYSA-N -1 1 354.218 4.403 20 0 FIADMM COC(=O)c1c[n-]c(SCc2nc(-c3ccccc3Cl)cs2)n1 ZINC000432673688 1092060893 /nfs/dbraw/zinc/06/08/93/1092060893.db2.gz YJMZOQDVBOGLDU-UHFFFAOYSA-N -1 1 365.867 4.266 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1C ZINC000432776868 1092325672 /nfs/dbraw/zinc/32/56/72/1092325672.db2.gz BAVTULGEWAAXFX-UHFFFAOYSA-N -1 1 369.870 4.083 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1 ZINC000520916461 1092364807 /nfs/dbraw/zinc/36/48/07/1092364807.db2.gz KUBNEQAYTFUUAK-UHFFFAOYSA-N -1 1 361.507 4.265 20 0 FIADMM CCC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000520986334 1092399396 /nfs/dbraw/zinc/39/93/96/1092399396.db2.gz GQSOSNKOPXUYPK-KRWDZBQOSA-N -1 1 374.506 4.104 20 0 FIADMM COc1cc(C(=O)Nc2cccc(-c3nccs3)c2)cc(Cl)c1[O-] ZINC000442732413 1092741726 /nfs/dbraw/zinc/74/17/26/1092741726.db2.gz MQKUDCZNXDMSLH-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM COc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc(Cl)c1[O-] ZINC000442853299 1092824068 /nfs/dbraw/zinc/82/40/68/1092824068.db2.gz JCZSDJBGSCJDHX-UHFFFAOYSA-N -1 1 369.808 4.072 20 0 FIADMM COc1cc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc(Cl)c1[O-] ZINC000442941239 1092875613 /nfs/dbraw/zinc/87/56/13/1092875613.db2.gz HWXJKGLDGQUFKM-UHFFFAOYSA-N -1 1 358.825 4.082 20 0 FIADMM COc1cc(C(=O)N[C@H](c2nccs2)c2ccccc2)cc(Cl)c1[O-] ZINC000442963065 1092890852 /nfs/dbraw/zinc/89/08/52/1092890852.db2.gz FBQMZQILNBLBIE-HNNXBMFYSA-N -1 1 374.849 4.030 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)cc(Cl)c1[O-] ZINC000442965065 1092892383 /nfs/dbraw/zinc/89/23/83/1092892383.db2.gz HVXYURKJHKIARY-MRXNPFEDSA-N -1 1 359.853 4.210 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc(Cl)c1[O-] ZINC000442967317 1092894215 /nfs/dbraw/zinc/89/42/15/1092894215.db2.gz PQICBKFWRCMJSX-LLVKDONJSA-N -1 1 372.808 4.200 20 0 FIADMM COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc(Cl)c1[O-] ZINC000442970032 1092897144 /nfs/dbraw/zinc/89/71/44/1092897144.db2.gz UFBHZDJIYLBLEG-UHFFFAOYSA-N -1 1 363.694 4.464 20 0 FIADMM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000442971493 1092898861 /nfs/dbraw/zinc/89/88/61/1092898861.db2.gz ZBRXZYAQHQNSQN-FQEVSTJZSA-N -1 1 360.457 4.362 20 0 FIADMM COc1cc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)cc(Cl)c1[O-] ZINC000443044835 1092916344 /nfs/dbraw/zinc/91/63/44/1092916344.db2.gz GYZLGMOFVZIATO-UHFFFAOYSA-N -1 1 358.196 4.119 20 0 FIADMM COc1cc(C(=O)Nc2cc(-c3ncco3)ccc2C)cc(Cl)c1[O-] ZINC000443050827 1092928435 /nfs/dbraw/zinc/92/84/35/1092928435.db2.gz QVUXZCCOCPLWQR-UHFFFAOYSA-N -1 1 358.781 4.270 20 0 FIADMM COc1cc(C(=O)Nc2ccc(F)cc2OC(C)C)cc(Cl)c1[O-] ZINC000443131822 1092960605 /nfs/dbraw/zinc/96/06/05/1092960605.db2.gz PGBNILCCVILBGU-UHFFFAOYSA-N -1 1 353.777 4.233 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc4c(c3)ncn4C)no2)cc(Cl)c1[O-] ZINC000443209428 1092992571 /nfs/dbraw/zinc/99/25/71/1092992571.db2.gz RZBBIOZBXHBRGO-UHFFFAOYSA-N -1 1 370.796 4.048 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)cc(Cl)c1[O-] ZINC000443279065 1093030644 /nfs/dbraw/zinc/03/06/44/1093030644.db2.gz XMPKBHNGFKSZOM-QMMMGPOBSA-N -1 1 358.196 4.338 20 0 FIADMM COc1cc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc(Cl)c1[O-] ZINC000443295335 1093039277 /nfs/dbraw/zinc/03/92/77/1093039277.db2.gz AKLPWICADLVIFW-CQSZACIVSA-N -1 1 365.779 4.295 20 0 FIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000191171766 1093086872 /nfs/dbraw/zinc/08/68/72/1093086872.db2.gz KGIAPUNLCFQBCL-UHFFFAOYSA-N -1 1 362.209 4.136 20 0 FIADMM CCOc1cc(-c2nc(COc3ccc(F)cc3)no2)cc(Cl)c1[O-] ZINC000191176744 1093092635 /nfs/dbraw/zinc/09/26/35/1093092635.db2.gz FLMBJWCHVSGHED-UHFFFAOYSA-N -1 1 364.760 4.212 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(Cl)c1)c1ccccc1 ZINC000443414407 1093109482 /nfs/dbraw/zinc/10/94/82/1093109482.db2.gz ILOBOSPCNGRBAB-UHFFFAOYSA-N -1 1 365.760 4.082 20 0 FIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3c(F)cccc3Cl)cc21 ZINC000191226857 1093120976 /nfs/dbraw/zinc/12/09/76/1093120976.db2.gz KKXHGDRCHTWMBX-UHFFFAOYSA-N -1 1 374.220 4.062 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1F ZINC000509624386 1093303747 /nfs/dbraw/zinc/30/37/47/1093303747.db2.gz XEANEWSZVUXAOH-UHFFFAOYSA-N -1 1 369.417 4.166 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1Cl ZINC000429912845 1093530756 /nfs/dbraw/zinc/53/07/56/1093530756.db2.gz XZYGGAWHWNYBIX-VIFPVBQESA-N -1 1 358.237 4.016 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000033912704 1093568603 /nfs/dbraw/zinc/56/86/03/1093568603.db2.gz RNMWEYXQICUBID-UHFFFAOYSA-N -1 1 359.476 4.129 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1C ZINC000034256926 1093689110 /nfs/dbraw/zinc/68/91/10/1093689110.db2.gz YDXIJYZVWQYODF-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM Cc1nc(-c2ccc(NC3CC(C)(c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000513052188 1093703842 /nfs/dbraw/zinc/70/38/42/1093703842.db2.gz PNJSLFMUHYNULT-UHFFFAOYSA-N -1 1 360.461 4.393 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000433809462 1094108683 /nfs/dbraw/zinc/10/86/83/1094108683.db2.gz VDMVZMJRACCXHD-UHFFFAOYSA-N -1 1 360.479 4.034 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2c(Cl)ccc(C)c2C)c(=O)[n-]1 ZINC000434017163 1094239783 /nfs/dbraw/zinc/23/97/83/1094239783.db2.gz LYMIOZUKFTWCCM-UHFFFAOYSA-N -1 1 365.886 4.054 20 0 FIADMM Cc1nc(=O)[n-]c(O[C@H](C)c2cccc(Br)c2F)c1Cl ZINC001227111370 1094383961 /nfs/dbraw/zinc/38/39/61/1094383961.db2.gz KOYSILNBLOKQOF-SSDOTTSWSA-N -1 1 361.598 4.186 20 0 FIADMM COc1cccc(-c2nsc([N-]C(=O)c3cnc(C(C)(C)C)s3)n2)c1 ZINC000102910779 1094691997 /nfs/dbraw/zinc/69/19/97/1094691997.db2.gz DPDLRDPOOXCQIX-UHFFFAOYSA-N -1 1 374.491 4.220 20 0 FIADMM Cc1ccccc1C1=CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000501611226 1094815682 /nfs/dbraw/zinc/81/56/82/1094815682.db2.gz CKJVQKGKSQTOKA-UHFFFAOYSA-N -1 1 358.235 4.003 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000522625423 1095198843 /nfs/dbraw/zinc/19/88/43/1095198843.db2.gz DZXXHZGHBGUVKK-OAHLLOKOSA-N -1 1 355.463 4.187 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(Br)cc1C ZINC000522650697 1095221677 /nfs/dbraw/zinc/22/16/77/1095221677.db2.gz APXLSEMCTXVXIP-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM CCC[C@@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccccn1 ZINC000502413719 1095453725 /nfs/dbraw/zinc/45/37/25/1095453725.db2.gz DGQKHJKILNKCFN-LLVKDONJSA-N -1 1 360.870 4.131 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)c1 ZINC000444289440 1095929292 /nfs/dbraw/zinc/92/92/92/1095929292.db2.gz PWXTXFOLYSPEQL-QWRGUYRKSA-N -1 1 368.271 4.043 20 0 FIADMM COC(=O)c1ccc(-c2ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])o2)cc1 ZINC000414670843 1096410730 /nfs/dbraw/zinc/41/07/30/1096410730.db2.gz ZWFAKYDYMWTWPU-QGZVFWFLSA-N -1 1 373.449 4.102 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000436008372 1098628720 /nfs/dbraw/zinc/62/87/20/1098628720.db2.gz RBASLENXQXGXDX-UHFFFAOYSA-N -1 1 351.493 4.387 20 0 FIADMM O=S(=O)([N-]C[C@@H](c1ccccc1)C1CC1)c1cc2cc(F)ccc2o1 ZINC001211981558 1098729714 /nfs/dbraw/zinc/72/97/14/1098729714.db2.gz HQHJRQDWCUZNAF-KRWDZBQOSA-N -1 1 359.422 4.044 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CC34CCSCC4)n2)cc(Cl)c1[O-] ZINC000515597921 1098746475 /nfs/dbraw/zinc/74/64/75/1098746475.db2.gz YBLFDXNEOCKVAE-LLVKDONJSA-N -1 1 366.870 4.495 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1F ZINC000436149529 1098772504 /nfs/dbraw/zinc/77/25/04/1098772504.db2.gz BDJHLXBPERKYIE-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM O=S(=O)([N-]c1ccccc1COCc1ccccc1)c1ccc(F)cc1 ZINC000515632499 1098779213 /nfs/dbraw/zinc/77/92/13/1098779213.db2.gz ZKUWNBKJFZEWOW-UHFFFAOYSA-N -1 1 371.433 4.343 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)n1 ZINC000436189673 1098797020 /nfs/dbraw/zinc/79/70/20/1098797020.db2.gz RHHSLTOYMDVMME-CYBMUJFWSA-N -1 1 373.261 4.058 20 0 FIADMM CC(=O)[C@@H](Cc1cccc(Cl)c1F)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000436256642 1098870283 /nfs/dbraw/zinc/87/02/83/1098870283.db2.gz ASFZRANISWHNDJ-CQSZACIVSA-N -1 1 366.845 4.145 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1[nH]c2ccccc2c1Cl ZINC000515729852 1098895068 /nfs/dbraw/zinc/89/50/68/1098895068.db2.gz URJGHQUXUXSXAW-UHFFFAOYSA-N -1 1 372.762 4.164 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000436475552 1099051265 /nfs/dbraw/zinc/05/12/65/1099051265.db2.gz CEJNUXYCOLBHRP-UHFFFAOYSA-N -1 1 358.463 4.115 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1 ZINC000436478930 1099053006 /nfs/dbraw/zinc/05/30/06/1099053006.db2.gz OMNIPQPSXVZYCR-UHFFFAOYSA-N -1 1 352.253 4.201 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(-c2ccccc2Cl)on1 ZINC000515986185 1099086242 /nfs/dbraw/zinc/08/62/42/1099086242.db2.gz ZDCOVJUBGFQJGL-UHFFFAOYSA-N -1 1 370.821 4.121 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000436517360 1099092375 /nfs/dbraw/zinc/09/23/75/1099092375.db2.gz XLWCKYOMPRTMGC-INIZCTEOSA-N -1 1 367.832 4.492 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000436549478 1099096586 /nfs/dbraw/zinc/09/65/86/1099096586.db2.gz FTOBCIZYOWBZNY-IBGZPJMESA-N -1 1 352.821 4.093 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1c1cccc(F)c1 ZINC000436549435 1099096734 /nfs/dbraw/zinc/09/67/34/1099096734.db2.gz FGODXIDUDFGHJL-OAHLLOKOSA-N -1 1 364.214 4.271 20 0 FIADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1C(=O)NC(C)C ZINC000436554095 1099099265 /nfs/dbraw/zinc/09/92/65/1099099265.db2.gz HNOXQEZUWDVYSD-UHFFFAOYSA-N -1 1 362.429 4.244 20 0 FIADMM CCc1nnc(-c2ccc(NC(=O)c3cc4ccccc4cc3[O-])cc2)o1 ZINC000436576785 1099112344 /nfs/dbraw/zinc/11/23/44/1099112344.db2.gz SFAHNFLMSGTOET-UHFFFAOYSA-N -1 1 359.385 4.410 20 0 FIADMM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000436566119 1099118584 /nfs/dbraw/zinc/11/85/84/1099118584.db2.gz VAKANWIWRACPIF-ZDUSSCGKSA-N -1 1 352.337 4.035 20 0 FIADMM CCOc1cc(-c2nc3cc(Cl)ccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000436594302 1099127162 /nfs/dbraw/zinc/12/71/62/1099127162.db2.gz GKHJOMIXVMSKQT-UHFFFAOYSA-N -1 1 351.189 4.414 20 0 FIADMM CCc1c(NC(=O)c2ccc(OC)cc2[O-])cnn1-c1ccccc1Cl ZINC000436596245 1099127265 /nfs/dbraw/zinc/12/72/65/1099127265.db2.gz PNNSDRZKPJEUMR-UHFFFAOYSA-N -1 1 371.824 4.055 20 0 FIADMM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000436581082 1099132311 /nfs/dbraw/zinc/13/23/11/1099132311.db2.gz YQOLPHLHZMTYNA-KRWDZBQOSA-N -1 1 355.409 4.189 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc(Cc2ccccc2)no1 ZINC000436589061 1099136889 /nfs/dbraw/zinc/13/68/89/1099136889.db2.gz OLVHKGGCSRNOLC-AWEZNQCLSA-N -1 1 373.412 4.010 20 0 FIADMM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1c([O-])cccc1F ZINC000436652220 1099175343 /nfs/dbraw/zinc/17/53/43/1099175343.db2.gz LBBLVZCKPXTMRK-OAHLLOKOSA-N -1 1 352.287 4.046 20 0 FIADMM CC1=C(c2ccco2)CN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436683849 1099217917 /nfs/dbraw/zinc/21/79/17/1099217917.db2.gz WNGQBAGRLMQSRB-UHFFFAOYSA-N -1 1 362.223 4.067 20 0 FIADMM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000436686547 1099221070 /nfs/dbraw/zinc/22/10/70/1099221070.db2.gz HUZBZFXCRSLRLY-UHFFFAOYSA-N -1 1 357.837 4.089 20 0 FIADMM Cc1c2ccccc2oc1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)C ZINC000436699647 1099232824 /nfs/dbraw/zinc/23/28/24/1099232824.db2.gz VYNLYJQFPMCBGM-SFHVURJKSA-N -1 1 351.402 4.143 20 0 FIADMM CC(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436714030 1099245464 /nfs/dbraw/zinc/24/54/64/1099245464.db2.gz DVDYSTZRZSHOKR-UHFFFAOYSA-N -1 1 367.232 4.090 20 0 FIADMM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Br)cc1[O-] ZINC000436736482 1099256511 /nfs/dbraw/zinc/25/65/11/1099256511.db2.gz IPCCOTPMXXEFIY-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436757941 1099271649 /nfs/dbraw/zinc/27/16/49/1099271649.db2.gz JULNJQJLVDVNRR-SECBINFHSA-N -1 1 370.193 4.266 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](c2ccccc2)CO1 ZINC000436750062 1099282916 /nfs/dbraw/zinc/28/29/16/1099282916.db2.gz DXBRRSFQZHECME-LRDDRELGSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](c2ccccc2F)C1 ZINC000436764678 1099303971 /nfs/dbraw/zinc/30/39/71/1099303971.db2.gz SKFDTXPSPMPDOW-NSHDSACASA-N -1 1 353.315 4.180 20 0 FIADMM COc1ccc2c(c1)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])CCCC2 ZINC000436799982 1099314281 /nfs/dbraw/zinc/31/42/81/1099314281.db2.gz RXNHQZQYKUZDCX-UHFFFAOYSA-N -1 1 365.351 4.403 20 0 FIADMM COc1cc(-c2noc(CC3CC(C)(C)C3)n2)cc(Br)c1[O-] ZINC000436786359 1099318982 /nfs/dbraw/zinc/31/89/82/1099318982.db2.gz XWMPGEZLMDIQJO-UHFFFAOYSA-N -1 1 367.243 4.192 20 0 FIADMM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc([O-])cc1F ZINC000436788718 1099320436 /nfs/dbraw/zinc/32/04/36/1099320436.db2.gz AUFYYOIGKJNIKD-LLVKDONJSA-N -1 1 355.331 4.253 20 0 FIADMM CC[C@@H](CC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1)C(C)C ZINC000068424175 1099327157 /nfs/dbraw/zinc/32/71/57/1099327157.db2.gz MEZCMPIGPKOJFR-ZDUSSCGKSA-N -1 1 350.532 4.054 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1noc(Cc2ccccc2)n1 ZINC000436804456 1099333237 /nfs/dbraw/zinc/33/32/37/1099333237.db2.gz BCTPHRUVYBFNQB-CQSZACIVSA-N -1 1 373.412 4.010 20 0 FIADMM Cn1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1-c1ccccc1 ZINC000436807032 1099333946 /nfs/dbraw/zinc/33/39/46/1099333946.db2.gz HHSRSIFQMJQMQV-UHFFFAOYSA-N -1 1 361.323 4.064 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccccc1)CC(F)F ZINC000436808200 1099334791 /nfs/dbraw/zinc/33/47/91/1099334791.db2.gz NPQUSBQRUDKWIY-UHFFFAOYSA-N -1 1 359.294 4.319 20 0 FIADMM CCCC1(c2nc(-c3cc(Br)c([O-])c(OCC)c3)no2)CC1 ZINC000436853293 1099369096 /nfs/dbraw/zinc/36/90/96/1099369096.db2.gz QURXINBXLYNYCV-UHFFFAOYSA-N -1 1 367.243 4.435 20 0 FIADMM CCCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCCCC1 ZINC000516328449 1099373384 /nfs/dbraw/zinc/37/33/84/1099373384.db2.gz QUJSAGGZSSCKGQ-UHFFFAOYSA-N -1 1 365.543 4.107 20 0 FIADMM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436863548 1099375171 /nfs/dbraw/zinc/37/51/71/1099375171.db2.gz JBCNZEUYHYOEBQ-UHFFFAOYSA-N -1 1 351.333 4.145 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@H]3C(C)C)n2)cc(Br)c1[O-] ZINC000436868654 1099379586 /nfs/dbraw/zinc/37/95/86/1099379586.db2.gz BFCINQVDSQVGTA-WDEREUQCSA-N -1 1 367.243 4.363 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1F ZINC000436874424 1099388438 /nfs/dbraw/zinc/38/84/38/1099388438.db2.gz QIPHVOJEIHNVJJ-NXEZZACHSA-N -1 1 350.271 4.270 20 0 FIADMM COc1ccc(SCCCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000436876675 1099393029 /nfs/dbraw/zinc/39/30/29/1099393029.db2.gz ANLMBKJJAOEZOD-UHFFFAOYSA-N -1 1 360.410 4.315 20 0 FIADMM O=C(C[C@H]1CCCCCN1C(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000436878203 1099393575 /nfs/dbraw/zinc/39/35/75/1099393575.db2.gz DNHHZOYFNNQDIG-MRXNPFEDSA-N -1 1 355.409 4.189 20 0 FIADMM COc1cc(-c2noc(C3(CC(C)C)CC3)n2)cc(Br)c1[O-] ZINC000436881166 1099397021 /nfs/dbraw/zinc/39/70/21/1099397021.db2.gz VSSMFEYSECLETH-UHFFFAOYSA-N -1 1 367.243 4.291 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H](c3ccccc3C)C(C)C)no2)c1 ZINC000436888945 1099405451 /nfs/dbraw/zinc/40/54/51/1099405451.db2.gz WEQORVYUJQNESG-LJQANCHMSA-N -1 1 365.433 4.497 20 0 FIADMM COc1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)c([O-])c1 ZINC000436892174 1099409314 /nfs/dbraw/zinc/40/93/14/1099409314.db2.gz IHUZNIMQGKODHD-UHFFFAOYSA-N -1 1 352.268 4.016 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(N4CCCC4)nc3)no2)ccc2ccccc21 ZINC000436901297 1099426477 /nfs/dbraw/zinc/42/64/77/1099426477.db2.gz ASQBSTMUBIKGII-UHFFFAOYSA-N -1 1 358.401 4.258 20 0 FIADMM O=C(c1nc[n-]c1-c1nc(-c2ccc(Cl)s2)no1)c1ccccc1 ZINC000571721733 1099427149 /nfs/dbraw/zinc/42/71/49/1099427149.db2.gz YJDFWPOZJZMLIV-UHFFFAOYSA-N -1 1 356.794 4.073 20 0 FIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc2ccccc2c1 ZINC000436914794 1099431770 /nfs/dbraw/zinc/43/17/70/1099431770.db2.gz LEAIEUFTUPENNV-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc2ccccc2c1 ZINC000436914794 1099431774 /nfs/dbraw/zinc/43/17/74/1099431774.db2.gz LEAIEUFTUPENNV-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM CC(C)COc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000516383910 1099432564 /nfs/dbraw/zinc/43/25/64/1099432564.db2.gz XETUCDOYSONXQT-UHFFFAOYSA-N -1 1 351.406 4.069 20 0 FIADMM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436917786 1099433626 /nfs/dbraw/zinc/43/36/26/1099433626.db2.gz FJXOVOANVLXJJZ-INIZCTEOSA-N -1 1 359.425 4.462 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(N4CCCC4)cn3)no2)ccc2ccccc21 ZINC000436925104 1099439565 /nfs/dbraw/zinc/43/95/65/1099439565.db2.gz FPZUPZQSZQTXER-UHFFFAOYSA-N -1 1 358.401 4.258 20 0 FIADMM Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436927128 1099441077 /nfs/dbraw/zinc/44/10/77/1099441077.db2.gz MLBOXQBUNHVKAI-UHFFFAOYSA-N -1 1 361.397 4.101 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000436928692 1099442705 /nfs/dbraw/zinc/44/27/05/1099442705.db2.gz BWOXXMPCRAZOJC-QHCPKHFHSA-N -1 1 359.425 4.155 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000629379023 1099454203 /nfs/dbraw/zinc/45/42/03/1099454203.db2.gz WJYHKLJVNVKRAK-KFWWJZLASA-N -1 1 372.690 4.178 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(OCC(F)F)nc3)no2)ccc2ccccc21 ZINC000436959185 1099475620 /nfs/dbraw/zinc/47/56/20/1099475620.db2.gz LUHCDFQSOWUPFB-UHFFFAOYSA-N -1 1 369.327 4.301 20 0 FIADMM O=C(Nc1ccccc1-c1c(F)cccc1F)c1csc(=NC2CC2)[n-]1 ZINC000428592921 1099820997 /nfs/dbraw/zinc/82/09/97/1099820997.db2.gz KWZOBPKQRRNFDH-UHFFFAOYSA-N -1 1 371.412 4.337 20 0 FIADMM CCOc1cc(-c2noc(Cn3ccc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445408009 1100113866 /nfs/dbraw/zinc/11/38/66/1100113866.db2.gz XOTMTQAIYJCUMS-UHFFFAOYSA-N -1 1 369.808 4.497 20 0 FIADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000517287147 1100258912 /nfs/dbraw/zinc/25/89/12/1100258912.db2.gz LWASPUDVFQNQCE-SFHVURJKSA-N -1 1 374.506 4.042 20 0 FIADMM CCOc1cc(-c2noc(Cc3noc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445411865 1100289803 /nfs/dbraw/zinc/28/98/03/1100289803.db2.gz LQYKDAIIDIFBDS-UHFFFAOYSA-N -1 1 371.780 4.226 20 0 FIADMM CCOc1cc(-c2noc(CCC(=O)c3ccccc3)n2)cc(Cl)c1[O-] ZINC000445413603 1100331210 /nfs/dbraw/zinc/33/12/10/1100331210.db2.gz ZAXXQTZKTDGIGG-UHFFFAOYSA-N -1 1 372.808 4.310 20 0 FIADMM Cc1cnc(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)[n-]c1=O ZINC000517759506 1100645305 /nfs/dbraw/zinc/64/53/05/1100645305.db2.gz OBXULSFPCOUNDN-HNNXBMFYSA-N -1 1 350.871 4.404 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000438762759 1100902611 /nfs/dbraw/zinc/90/26/11/1100902611.db2.gz DJUUSVNKOXPXIG-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCCS3)n2)cc(Br)c1[O-] ZINC000438750452 1100903433 /nfs/dbraw/zinc/90/34/33/1100903433.db2.gz XNXJWOMCHRKSTK-NSHDSACASA-N -1 1 371.256 4.172 20 0 FIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438766875 1100905662 /nfs/dbraw/zinc/90/56/62/1100905662.db2.gz UCGVNEAENWGLOZ-UHFFFAOYSA-N -1 1 363.504 4.438 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2cccc(F)c2C)cc1Cl ZINC000438778801 1100913193 /nfs/dbraw/zinc/91/31/93/1100913193.db2.gz XQVKCLSTVAPJKW-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM Cc1ccnc(Oc2cc(NC(=O)c3ccc(O)cc3[O-])ccc2C)c1 ZINC000439061217 1101112706 /nfs/dbraw/zinc/11/27/06/1101112706.db2.gz RZHHEWRCCMSEKY-UHFFFAOYSA-N -1 1 350.374 4.154 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3c[nH]cc3-c3ccc(F)cc3)[nH][n-]2)s1 ZINC000439140423 1101194364 /nfs/dbraw/zinc/19/43/64/1101194364.db2.gz IFTFYNWHXIJXII-UHFFFAOYSA-N -1 1 366.421 4.255 20 0 FIADMM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000439383567 1101392170 /nfs/dbraw/zinc/39/21/70/1101392170.db2.gz SLSQHSKFOYQWIJ-UHFFFAOYSA-N -1 1 374.440 4.246 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000518689156 1101430993 /nfs/dbraw/zinc/43/09/93/1101430993.db2.gz AVAYSUWCVPZZAG-UHFFFAOYSA-N -1 1 372.384 4.222 20 0 FIADMM O=C(/C=C\c1cc(Br)ccc1F)Nc1c([O-])cccc1F ZINC000760196771 1101622645 /nfs/dbraw/zinc/62/26/45/1101622645.db2.gz VGFBLAIXOVFOFB-DAXSKMNVSA-N -1 1 354.150 4.085 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000518860800 1101670851 /nfs/dbraw/zinc/67/08/51/1101670851.db2.gz MLJSREKMUNYSRR-UHFFFAOYSA-N -1 1 362.470 4.315 20 0 FIADMM CC(C)n1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000081719893 1101699014 /nfs/dbraw/zinc/69/90/14/1101699014.db2.gz CEYKPSMTJIGMHG-CYBMUJFWSA-N -1 1 369.494 4.023 20 0 FIADMM Cc1cccc2nc(C3CCN(C(=O)c4cc(F)ccc4[O-])CC3)oc21 ZINC000188487332 1101833010 /nfs/dbraw/zinc/83/30/10/1101833010.db2.gz BTCULDPELFKNFV-UHFFFAOYSA-N -1 1 354.381 4.001 20 0 FIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1cccc(-c2ccccc2)c1 ZINC000506710640 1101877986 /nfs/dbraw/zinc/87/79/86/1101877986.db2.gz IDHMCZXHVBHBIS-UHFFFAOYSA-N -1 1 361.426 4.098 20 0 FIADMM Cc1nc(CC(C)C)c([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)s1 ZINC000760363235 1101943579 /nfs/dbraw/zinc/94/35/79/1101943579.db2.gz BGMSYLUXCILCJO-KTKRTIGZSA-N -1 1 350.509 4.371 20 0 FIADMM O=C([O-])CC[C@H]1CCCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000263182197 1101986064 /nfs/dbraw/zinc/98/60/64/1101986064.db2.gz UJDMKHPJFRDZCT-GFCCVEGCSA-N -1 1 366.433 4.165 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)ccc1OC(C)C ZINC000614813464 1101995115 /nfs/dbraw/zinc/99/51/15/1101995115.db2.gz QIMYJLYSRWJMNV-UHFFFAOYSA-N -1 1 371.405 4.184 20 0 FIADMM CN(Cc1ccc(Br)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000035903324 1101998771 /nfs/dbraw/zinc/99/87/71/1101998771.db2.gz JMPCNHUDHKOBGR-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cc1C ZINC000032590565 1102043401 /nfs/dbraw/zinc/04/34/01/1102043401.db2.gz XNZUEXZEENRLJO-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000476280723 1102089604 /nfs/dbraw/zinc/08/96/04/1102089604.db2.gz WHJAKYXGEBMNGT-UHFFFAOYSA-N -1 1 372.421 4.467 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000475828821 1102089766 /nfs/dbraw/zinc/08/97/66/1102089766.db2.gz HLUDDEBVFFVTPX-UHFFFAOYSA-N -1 1 359.781 4.012 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)o2)cc1 ZINC000001351134 1102293422 /nfs/dbraw/zinc/29/34/22/1102293422.db2.gz KMRSGVTXJUNQNO-UHFFFAOYSA-N -1 1 370.430 4.014 20 0 FIADMM C/C(=C\C(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C2CC2)s1)C1CC1 ZINC000171448955 1102295853 /nfs/dbraw/zinc/29/58/53/1102295853.db2.gz NXCXMKIIHUBHRM-BQYQJAHWSA-N -1 1 361.496 4.002 20 0 FIADMM O=C([O-])c1ccccc1C1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000666586861 1102310769 /nfs/dbraw/zinc/31/07/69/1102310769.db2.gz XXCSRMQOKDYSKN-UHFFFAOYSA-N -1 1 356.491 4.100 20 0 FIADMM COCc1nc(C(=O)[N-]c2nnc(C(C)C)s2)c(-c2ccccc2)s1 ZINC000440442801 1102374357 /nfs/dbraw/zinc/37/43/57/1102374357.db2.gz IHWAWVGWEMQVSO-UHFFFAOYSA-N -1 1 374.491 4.184 20 0 FIADMM CCCC1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000048772100 1102416850 /nfs/dbraw/zinc/41/68/50/1102416850.db2.gz MKNIQDQGXCWAOH-UHFFFAOYSA-N -1 1 366.346 4.148 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000473659722 1102430644 /nfs/dbraw/zinc/43/06/44/1102430644.db2.gz LSXDXSUCNALECB-ZJUUUORDSA-N -1 1 373.325 4.084 20 0 FIADMM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000608031887 1102643574 /nfs/dbraw/zinc/64/35/74/1102643574.db2.gz VTFAXGLLBUTVSX-BXUZGUMPSA-N -1 1 362.303 4.063 20 0 FIADMM CSc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000043857126 1102691408 /nfs/dbraw/zinc/69/14/08/1102691408.db2.gz ZHMVQKMDGANMEG-UHFFFAOYSA-N -1 1 370.474 4.241 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000426678433 1102924137 /nfs/dbraw/zinc/92/41/37/1102924137.db2.gz CEHFOOJVSDBDGZ-UHFFFAOYSA-N -1 1 357.356 4.142 20 0 FIADMM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000551126197 1102930108 /nfs/dbraw/zinc/93/01/08/1102930108.db2.gz VDYOMGYOKSCRFR-UHFFFAOYSA-N -1 1 366.808 4.098 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000426688909 1102933881 /nfs/dbraw/zinc/93/38/81/1102933881.db2.gz SJYGIORBMNGCCB-CYBMUJFWSA-N -1 1 360.262 4.369 20 0 FIADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cn2)cc1 ZINC000614831608 1102948125 /nfs/dbraw/zinc/94/81/25/1102948125.db2.gz QDTWHNANJYDZMN-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Br)ccc1F)c1ccccc1 ZINC000426748149 1102965257 /nfs/dbraw/zinc/96/52/57/1102965257.db2.gz VFQJKCOKJSBDEM-BZNIZROVSA-N -1 1 366.230 4.140 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1sccc1Br)c1ccccc1 ZINC000426753132 1102968118 /nfs/dbraw/zinc/96/81/18/1102968118.db2.gz HCSDLDSGZLTXRS-IINYFYTJSA-N -1 1 354.269 4.062 20 0 FIADMM CCOc1cccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000426754717 1102970769 /nfs/dbraw/zinc/97/07/69/1102970769.db2.gz SOJOKFUURFCGTA-HNNXBMFYSA-N -1 1 369.248 4.093 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(-c3ccccc3F)o2)c1 ZINC000426772700 1102979097 /nfs/dbraw/zinc/97/90/97/1102979097.db2.gz LDYDPZPDHSVBTO-LJQANCHMSA-N -1 1 369.392 4.400 20 0 FIADMM CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cccc([O-])c1Cl ZINC000506980492 1102988005 /nfs/dbraw/zinc/98/80/05/1102988005.db2.gz YNGZADAIEVHIFD-UHFFFAOYSA-N -1 1 350.821 4.034 20 0 FIADMM CCc1ccc([C@@H](NCc2cc(C(F)(F)F)ccc2F)C(=O)[O-])cc1 ZINC000426794635 1102996221 /nfs/dbraw/zinc/99/62/21/1102996221.db2.gz SKPANPWNYKYSSR-MRXNPFEDSA-N -1 1 355.331 4.322 20 0 FIADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000426816438 1103011163 /nfs/dbraw/zinc/01/11/63/1103011163.db2.gz PFKVOJIJIQSSCR-NRFANRHFSA-N -1 1 361.445 4.051 20 0 FIADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)o2)cc1 ZINC000426817070 1103011400 /nfs/dbraw/zinc/01/14/00/1103011400.db2.gz RTFGHYXWEIOLEB-HNNXBMFYSA-N -1 1 366.255 4.471 20 0 FIADMM COc1ccc2oc(CN[C@H](CC(=O)[O-])c3cccc(Cl)c3)cc2c1 ZINC000426820272 1103014401 /nfs/dbraw/zinc/01/44/01/1103014401.db2.gz KVFGVRCOOYZMMH-QGZVFWFLSA-N -1 1 359.809 4.400 20 0 FIADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2nc3c(s2)C[C@@H](C)CC3)c1C ZINC000426823189 1103018361 /nfs/dbraw/zinc/01/83/61/1103018361.db2.gz IDMLONSNYWKAPG-YVEFUNNKSA-N -1 1 358.507 4.190 20 0 FIADMM Cc1cc2[nH]c(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3F)cc2c(C)c1 ZINC000426829213 1103027989 /nfs/dbraw/zinc/02/79/89/1103027989.db2.gz OGSBZMXVJLVEDB-SFHVURJKSA-N -1 1 358.388 4.369 20 0 FIADMM O=C([O-])[C@@]1(NCc2c(Cl)oc3ccccc32)CCc2c1cccc2F ZINC000551421206 1103202493 /nfs/dbraw/zinc/20/24/93/1103202493.db2.gz ZERXBNPKHREGQB-LJQANCHMSA-N -1 1 359.784 4.241 20 0 FIADMM O=C(c1ncccc1[O-])N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000427079059 1103231434 /nfs/dbraw/zinc/23/14/34/1103231434.db2.gz XBACGMKSGPAQOR-UHFFFAOYSA-N -1 1 364.367 4.391 20 0 FIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551466936 1103260488 /nfs/dbraw/zinc/26/04/88/1103260488.db2.gz JOMYAAMQDCAMCY-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc4[nH]ccc4cc3C)cc2s1 ZINC000427296610 1103420018 /nfs/dbraw/zinc/42/00/18/1103420018.db2.gz OSYLVYPVIZBBFY-UHFFFAOYSA-N -1 1 357.460 4.195 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)cc1Cl ZINC000507582236 1103511957 /nfs/dbraw/zinc/51/19/57/1103511957.db2.gz JCRCTULNQUBCLP-UHFFFAOYSA-N -1 1 373.858 4.204 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(Cl)cc1F ZINC000507585397 1103513636 /nfs/dbraw/zinc/51/36/36/1103513636.db2.gz ROZSTQJCJDOKFO-UHFFFAOYSA-N -1 1 353.724 4.006 20 0 FIADMM O=c1nc(-c2ccc([O-])cn2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000427449425 1103561731 /nfs/dbraw/zinc/56/17/31/1103561731.db2.gz HARGIVIPNOBQBW-UHFFFAOYSA-N -1 1 355.806 4.485 20 0 FIADMM Cc1sc2[nH]c(-c3ccc([O-])cn3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000427469143 1103572165 /nfs/dbraw/zinc/57/21/65/1103572165.db2.gz ABPDZLVKJJTDKX-UHFFFAOYSA-N -1 1 353.378 4.279 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507642115 1103581149 /nfs/dbraw/zinc/58/11/49/1103581149.db2.gz AZFNXWPBKBITNK-UHFFFAOYSA-N -1 1 370.402 4.043 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(c2ccsc2)CC1 ZINC000187994332 1103731665 /nfs/dbraw/zinc/73/16/65/1103731665.db2.gz YNFMJBVXZRQCTJ-UHFFFAOYSA-N -1 1 366.280 4.236 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnn(-c4ccccc4Cl)c3)n2)cc1F ZINC000519805546 1103875556 /nfs/dbraw/zinc/87/55/56/1103875556.db2.gz LRDFGTUWYGEWIN-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1ccc2c(c1)COC2 ZINC000440818830 1103965334 /nfs/dbraw/zinc/96/53/34/1103965334.db2.gz AZORLAUJWVFSAA-UHFFFAOYSA-N -1 1 366.442 4.261 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCC(F)(F)F)cc3)n2)c(F)c1 ZINC000445461388 1103967544 /nfs/dbraw/zinc/96/75/44/1103967544.db2.gz GSRGCVWMGKCNBW-UHFFFAOYSA-N -1 1 354.259 4.189 20 0 FIADMM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc([O-])cc1F ZINC000188162242 1104061088 /nfs/dbraw/zinc/06/10/88/1104061088.db2.gz OCJGOIHIBAIEPY-UHFFFAOYSA-N -1 1 353.315 4.012 20 0 FIADMM CC(C)(C)c1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)no1 ZINC000461117135 1104115130 /nfs/dbraw/zinc/11/51/30/1104115130.db2.gz PXXRAXRCNMYADW-UHFFFAOYSA-N -1 1 360.464 4.227 20 0 FIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000461118994 1104116677 /nfs/dbraw/zinc/11/66/77/1104116677.db2.gz RLWDROVMJQKMTQ-UHFFFAOYSA-N -1 1 365.882 4.296 20 0 FIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccccc1COC ZINC000461124195 1104122403 /nfs/dbraw/zinc/12/24/03/1104122403.db2.gz FZHIMISIJZLZDG-UHFFFAOYSA-N -1 1 367.898 4.412 20 0 FIADMM CSCc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000520256431 1104200351 /nfs/dbraw/zinc/20/03/51/1104200351.db2.gz BYVKMVVLWXHWNV-UHFFFAOYSA-N -1 1 372.309 4.113 20 0 FIADMM O=C(/C=C/C1CCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000843766607 1104354590 /nfs/dbraw/zinc/35/45/90/1104354590.db2.gz SARNWIGDEQVTGH-BUHFOSPRSA-N -1 1 370.474 4.172 20 0 FIADMM O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000536309398 1104661895 /nfs/dbraw/zinc/66/18/95/1104661895.db2.gz SKPXUJCTKGZLQN-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM O=C([N-]c1nc2ccc(F)cn2n1)c1sc2cccc(F)c2c1Cl ZINC001126506745 1104849694 /nfs/dbraw/zinc/84/96/94/1104849694.db2.gz WLFOGLNHGPNZFR-UHFFFAOYSA-N -1 1 364.764 4.128 20 0 FIADMM Cc1nc(-c2ccc(N3C[C@@H](c4ccccc4)C(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000135566356 1105064491 /nfs/dbraw/zinc/06/44/91/1105064491.db2.gz ZTMCSLHTCRCZIJ-IBGZPJMESA-N -1 1 374.488 4.079 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cc(F)c(F)cc1F ZINC000520637806 1105073581 /nfs/dbraw/zinc/07/35/81/1105073581.db2.gz ILNWTQVIMJPTPX-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1F ZINC000441711989 1105114375 /nfs/dbraw/zinc/11/43/75/1105114375.db2.gz HBPAEVHLCPEXQS-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c(F)c2)cc1 ZINC000520736196 1105180146 /nfs/dbraw/zinc/18/01/46/1105180146.db2.gz AZWNDCNZHXXVJY-UHFFFAOYSA-N -1 1 364.302 4.190 20 0 FIADMM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cn2)cc1)c1ccsc1 ZINC000507951343 1105281786 /nfs/dbraw/zinc/28/17/86/1105281786.db2.gz SODSXPJSAVBXLP-UHFFFAOYSA-N -1 1 366.851 4.390 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c(C)c1 ZINC000508009989 1105294424 /nfs/dbraw/zinc/29/44/24/1105294424.db2.gz IYTXBBVLEJGXHK-UHFFFAOYSA-N -1 1 374.487 4.140 20 0 FIADMM COc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1C ZINC000508109652 1105328060 /nfs/dbraw/zinc/32/80/60/1105328060.db2.gz AUYLXFVHCDBTQF-UHFFFAOYSA-N -1 1 374.506 4.185 20 0 FIADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000428019649 1105341524 /nfs/dbraw/zinc/34/15/24/1105341524.db2.gz ZYEVWGRFVGAXPN-GJZGRUSLSA-N -1 1 364.367 4.214 20 0 FIADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1NC(=O)NC(C)(C)C ZINC000530007157 1106748040 /nfs/dbraw/zinc/74/80/40/1106748040.db2.gz YSJALARFMXARJX-UHFFFAOYSA-N -1 1 359.401 4.012 20 0 FIADMM CCOCc1nc(C)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000450838539 1106758220 /nfs/dbraw/zinc/75/82/20/1106758220.db2.gz FHNWWTVSXBXNOG-UHFFFAOYSA-N -1 1 357.435 4.204 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000530044158 1106788338 /nfs/dbraw/zinc/78/83/38/1106788338.db2.gz WGTGWGCTZFIREP-UHFFFAOYSA-N -1 1 369.465 4.144 20 0 FIADMM Cc1ccc(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)s1 ZINC000444350410 1106888605 /nfs/dbraw/zinc/88/86/05/1106888605.db2.gz HOAHILJYCOAADJ-UHFFFAOYSA-N -1 1 372.490 4.006 20 0 FIADMM Cc1cc(Br)c(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1Cl ZINC000530172483 1106902941 /nfs/dbraw/zinc/90/29/41/1106902941.db2.gz HWQNADGEDIVAMH-QWRGUYRKSA-N -1 1 374.706 4.485 20 0 FIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)cc1 ZINC000451080321 1106917423 /nfs/dbraw/zinc/91/74/23/1106917423.db2.gz BZPCVUJXSXASIX-UHFFFAOYSA-N -1 1 355.406 4.386 20 0 FIADMM CSc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301338736 1106997156 /nfs/dbraw/zinc/99/71/56/1106997156.db2.gz DTMQMXDXWDBNSL-UHFFFAOYSA-N -1 1 352.463 4.195 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@H]3CCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301348419 1106999753 /nfs/dbraw/zinc/99/97/53/1106999753.db2.gz HZATWTMKSGTLDD-HXUWFJFHSA-N -1 1 374.488 4.463 20 0 FIADMM CCOc1cccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301352241 1107000626 /nfs/dbraw/zinc/00/06/26/1107000626.db2.gz JGINPQWVBBZYRR-OAHLLOKOSA-N -1 1 364.449 4.433 20 0 FIADMM CCOc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1F ZINC000301389004 1107012898 /nfs/dbraw/zinc/01/28/98/1107012898.db2.gz FJHGBWVMPLOQKV-UHFFFAOYSA-N -1 1 368.412 4.011 20 0 FIADMM Cc1nc(-c2ccc(NCc3cccc4cccnc43)nc2)[n-]c(=O)c1C ZINC000301387506 1107013805 /nfs/dbraw/zinc/01/38/05/1107013805.db2.gz XWHZIFXOXDSEPO-UHFFFAOYSA-N -1 1 357.417 4.021 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCc4ccc(F)cc43)nc2)[n-]c(=O)c1C ZINC000301400251 1107019151 /nfs/dbraw/zinc/01/91/51/1107019151.db2.gz PRRMACPONIMNNQ-QGZVFWFLSA-N -1 1 350.397 4.100 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](c4ccccc4)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301599978 1107083211 /nfs/dbraw/zinc/08/32/11/1107083211.db2.gz YRIDZFKRZQCWLW-LPHOPBHVSA-N -1 1 360.461 4.243 20 0 FIADMM COc1ccc([C@@H]([N-]c2nc(C(C)C)no2)c2ccccc2OC)cc1 ZINC000301757644 1107138632 /nfs/dbraw/zinc/13/86/32/1107138632.db2.gz ATGLQZDJGXBXPY-GOSISDBHSA-N -1 1 353.422 4.412 20 0 FIADMM CC(F)(F)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451609825 1107204213 /nfs/dbraw/zinc/20/42/13/1107204213.db2.gz RBSZTUXAVYYIOW-UHFFFAOYSA-N -1 1 365.751 4.073 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000530713475 1107261153 /nfs/dbraw/zinc/26/11/53/1107261153.db2.gz BJIPEJJRCUGFBA-GFCCVEGCSA-N -1 1 356.422 4.161 20 0 FIADMM Cc1cc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)ccc1Cl ZINC000302130782 1107312808 /nfs/dbraw/zinc/31/28/08/1107312808.db2.gz KDMJYZPFDSLICN-UHFFFAOYSA-N -1 1 354.841 4.435 20 0 FIADMM Cc1c([N-]c2nn3cc(-c4cccnc4)nc3s2)cnn1C1CCCC1 ZINC000302886420 1107476638 /nfs/dbraw/zinc/47/66/38/1107476638.db2.gz NAYAWZANEOEWBB-UHFFFAOYSA-N -1 1 365.466 4.216 20 0 FIADMM C[C@@H]1COCCN1c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000303776797 1107755121 /nfs/dbraw/zinc/75/51/21/1107755121.db2.gz RSGMOMNGRXFVDT-OAHLLOKOSA-N -1 1 362.429 4.023 20 0 FIADMM CN(C(=O)c1ccc([O-])cc1F)c1ccc(OCc2ccccc2)cc1 ZINC000444463531 1107931643 /nfs/dbraw/zinc/93/16/43/1107931643.db2.gz JBSZXCADZJPDIS-UHFFFAOYSA-N -1 1 351.377 4.387 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2cc(C)cc3ccccc32)c(=O)[n-]1 ZINC000452849675 1107977073 /nfs/dbraw/zinc/97/70/73/1107977073.db2.gz PCJDNMXZXWILPM-UHFFFAOYSA-N -1 1 367.474 4.245 20 0 FIADMM CCC[C@H](OC)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000453020902 1108091281 /nfs/dbraw/zinc/09/12/81/1108091281.db2.gz MDBXBWPXTITJMQ-NSHDSACASA-N -1 1 371.231 4.091 20 0 FIADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(F)c(C(F)(F)F)c1 ZINC000532037357 1108566930 /nfs/dbraw/zinc/56/69/30/1108566930.db2.gz OAOJQZOCCQEFRO-UHFFFAOYSA-N -1 1 370.327 4.194 20 0 FIADMM CCC[C@@H](C)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445392599 1108708502 /nfs/dbraw/zinc/70/85/02/1108708502.db2.gz MXPNUYMBRIYEHI-SECBINFHSA-N -1 1 355.232 4.192 20 0 FIADMM CCOc1cc(-c2noc(CCOCc3ccccc3)n2)cc(Cl)c1[O-] ZINC000445412684 1108722162 /nfs/dbraw/zinc/72/21/62/1108722162.db2.gz OQPYMLLJZGJSFM-UHFFFAOYSA-N -1 1 374.824 4.254 20 0 FIADMM CC[C@H](SC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445398443 1108726008 /nfs/dbraw/zinc/72/60/08/1108726008.db2.gz UXUOKGLNJJNZMM-JTQLQIEISA-N -1 1 359.245 4.027 20 0 FIADMM CCOc1cc(-c2noc(-c3cnn(CC(C)C)c3)n2)cc(Cl)c1[O-] ZINC000445408571 1108732948 /nfs/dbraw/zinc/73/29/48/1108732948.db2.gz IJMFTMWUNVSQPZ-UHFFFAOYSA-N -1 1 362.817 4.014 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3cncc(OC)c3)n2)cc(Cl)c1[O-] ZINC000445429280 1108740315 /nfs/dbraw/zinc/74/03/15/1108740315.db2.gz ZNMXWBHTCUJEJD-SNAWJCMRSA-N -1 1 373.796 4.068 20 0 FIADMM Cn1cc(-c2ccc(F)c(-c3nc(-c4ccc([O-])cc4Cl)no3)c2)cn1 ZINC000445448352 1108749681 /nfs/dbraw/zinc/74/96/81/1108749681.db2.gz KYDQYOSNECSSCL-UHFFFAOYSA-N -1 1 370.771 4.302 20 0 FIADMM CC1CCN(c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cn2)CC1 ZINC000445449828 1108751933 /nfs/dbraw/zinc/75/19/33/1108751933.db2.gz PTVTWOYROWOROJ-UHFFFAOYSA-N -1 1 370.840 4.394 20 0 FIADMM COc1ccc(C[C@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445450327 1108753790 /nfs/dbraw/zinc/75/37/90/1108753790.db2.gz RZNHUSJQFHWZHI-NSHDSACASA-N -1 1 374.824 4.459 20 0 FIADMM O=C1CCCN1c1ccc(F)c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445451864 1108754557 /nfs/dbraw/zinc/75/45/57/1108754557.db2.gz LJCYCTYCRZDJPX-UHFFFAOYSA-N -1 1 373.771 4.029 20 0 FIADMM CC(C)NC(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445442508 1108766783 /nfs/dbraw/zinc/76/67/83/1108766783.db2.gz CKYUNXODZRWGBD-UHFFFAOYSA-N -1 1 372.812 4.293 20 0 FIADMM COc1ccc(OC)c(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445452573 1108768665 /nfs/dbraw/zinc/76/86/65/1108768665.db2.gz DHNNYTZJNXAQAK-FPYGCLRLSA-N -1 1 358.781 4.283 20 0 FIADMM [O-]c1ccc(-c2noc(CCCOc3ccc(F)cc3F)n2)c(Cl)c1 ZINC000445445752 1108769717 /nfs/dbraw/zinc/76/97/17/1108769717.db2.gz BDWONHCIMCHCHS-UHFFFAOYSA-N -1 1 366.751 4.385 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OC[C@H]4CCCO4)cc3)n2)c(Cl)c1 ZINC000445445993 1108772800 /nfs/dbraw/zinc/77/28/00/1108772800.db2.gz KMROHEZUCUQNDY-OAHLLOKOSA-N -1 1 372.808 4.320 20 0 FIADMM CC1(C)Cc2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)c(O)c2O1 ZINC000445447564 1108773325 /nfs/dbraw/zinc/77/33/25/1108773325.db2.gz IFCJXDINAHXHKW-UHFFFAOYSA-N -1 1 358.781 4.182 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C\c3cnc4ccccc4n3)n2)c(Cl)c1 ZINC000445446297 1108774138 /nfs/dbraw/zinc/77/41/38/1108774138.db2.gz DCRLPECILUXEMC-YVMONPNESA-N -1 1 350.765 4.209 20 0 FIADMM CCCc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445465489 1108776280 /nfs/dbraw/zinc/77/62/80/1108776280.db2.gz YXOPZAQYCHOJEW-UHFFFAOYSA-N -1 1 354.381 4.349 20 0 FIADMM CCOc1cc(-c2nc([C@@H]3COc4ccccc4O3)no2)cc(Cl)c1[O-] ZINC000445468499 1108779789 /nfs/dbraw/zinc/77/97/89/1108779789.db2.gz DOQBZJYGQCSLJK-HNNXBMFYSA-N -1 1 374.780 4.007 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(Br)cc2F)no1 ZINC000445454877 1108787972 /nfs/dbraw/zinc/78/79/72/1108787972.db2.gz IFTIPYMUZFVHGA-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM CC(C)c1nn(C)c2sc(-c3nc(-c4ccc([O-])cc4F)no3)cc12 ZINC000445457001 1108791387 /nfs/dbraw/zinc/79/13/87/1108791387.db2.gz LLSVDEJTXZMIDW-UHFFFAOYSA-N -1 1 358.398 4.320 20 0 FIADMM CC(=O)CCc1ccc(O[C@H](C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445458517 1108792515 /nfs/dbraw/zinc/79/25/15/1108792515.db2.gz YOZMZILJRBBOPB-CYBMUJFWSA-N -1 1 370.380 4.243 20 0 FIADMM CC(=O)Nc1ccc(S[C@H](C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445460216 1108794704 /nfs/dbraw/zinc/79/47/04/1108794704.db2.gz OQDCSWINMFJBGD-SNVBAGLBSA-N -1 1 373.409 4.393 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCc4ccncc4)cc3)n2)cc1F ZINC000445476953 1108797931 /nfs/dbraw/zinc/79/79/31/1108797931.db2.gz KLVDRUCCDCYKLF-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@@H]2CC(C)(C)C)c1 ZINC000143985468 1108798079 /nfs/dbraw/zinc/79/80/79/1108798079.db2.gz ZDSVFJUOLKCBQI-MRXNPFEDSA-N -1 1 372.538 4.343 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ccccc3Br)n2)cc1F ZINC000445480881 1108799317 /nfs/dbraw/zinc/79/93/17/1108799317.db2.gz LNZMXNJKXGLVJX-UHFFFAOYSA-N -1 1 363.186 4.129 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1F ZINC000445481607 1108800574 /nfs/dbraw/zinc/80/05/74/1108800574.db2.gz MPMAKTSUASWYTI-UHFFFAOYSA-N -1 1 354.259 4.071 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ccc(OC(F)(F)F)cc3)n2)cc1F ZINC000445480162 1108800589 /nfs/dbraw/zinc/80/05/89/1108800589.db2.gz LINPIXHXQDVUKH-UHFFFAOYSA-N -1 1 368.286 4.265 20 0 FIADMM CC(C)COc1cccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445481219 1108801465 /nfs/dbraw/zinc/80/14/65/1108801465.db2.gz LUWLXPFSZCFRBY-UHFFFAOYSA-N -1 1 358.369 4.195 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccnc(OCc4ccccc4)c3)n2)cc1F ZINC000445482042 1108802456 /nfs/dbraw/zinc/80/24/56/1108802456.db2.gz OMWPQTZSJJIZOD-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CCOc1cc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)ccc1OC ZINC000445484140 1108803991 /nfs/dbraw/zinc/80/39/91/1108803991.db2.gz XPFOBZPJSUGUDF-UITAMQMPSA-N -1 1 356.353 4.159 20 0 FIADMM Cc1cc(C)n(Cc2cccc(-c3nc(-c4ccc([O-])c(F)c4)no3)c2)n1 ZINC000445485378 1108805143 /nfs/dbraw/zinc/80/51/43/1108805143.db2.gz ZZBMYNAPQHNWCY-UHFFFAOYSA-N -1 1 364.380 4.110 20 0 FIADMM [O-]c1ccc(-c2noc(COc3cccc(C(F)(F)F)c3)n2)cc1F ZINC000445476913 1108814498 /nfs/dbraw/zinc/81/44/98/1108814498.db2.gz JWHPZRLYHFICSV-UHFFFAOYSA-N -1 1 354.259 4.179 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(OC(F)F)cn3)no2)ccc2ccccc21 ZINC000445523768 1108843477 /nfs/dbraw/zinc/84/34/77/1108843477.db2.gz JBHBCTQLCLYVNG-UHFFFAOYSA-N -1 1 355.300 4.259 20 0 FIADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)(C)C ZINC000524526778 1109054203 /nfs/dbraw/zinc/05/42/03/1109054203.db2.gz YKWGTSOFPCGYNI-AWEZNQCLSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(Cl)ccc(C)c1C ZINC000446950738 1109401970 /nfs/dbraw/zinc/40/19/70/1109401970.db2.gz QJTNUCGGCBFVBZ-UHFFFAOYSA-N -1 1 369.918 4.227 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000528979947 1110165763 /nfs/dbraw/zinc/16/57/63/1110165763.db2.gz MJPHCPLAAQZOCO-WDEREUQCSA-N -1 1 352.253 4.267 20 0 FIADMM CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538656 1110284211 /nfs/dbraw/zinc/28/42/11/1110284211.db2.gz IWEDQTGWXBKNFA-QGZVFWFLSA-N -1 1 374.868 4.174 20 0 FIADMM Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539759 1110284611 /nfs/dbraw/zinc/28/46/11/1110284611.db2.gz TYRRBKGVIHUZNH-UHFFFAOYSA-N -1 1 357.841 4.482 20 0 FIADMM O=C(Nc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1)c1cccs1 ZINC000539068058 1111417506 /nfs/dbraw/zinc/41/75/06/1111417506.db2.gz UWJSLMLCXOVXOH-UHFFFAOYSA-N -1 1 374.368 4.237 20 0 FIADMM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461913820 1111419306 /nfs/dbraw/zinc/41/93/06/1111419306.db2.gz INQLPOTVFCSLHD-CRAIPNDOSA-N -1 1 372.490 4.171 20 0 FIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000539350764 1111529602 /nfs/dbraw/zinc/52/96/02/1111529602.db2.gz SUTKSGSYNXUYCC-UHFFFAOYSA-N -1 1 363.751 4.065 20 0 FIADMM C[C@@H]1CC[C@H](CCC(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552195762 1111610337 /nfs/dbraw/zinc/61/03/37/1111610337.db2.gz GCIUOSHKNGGOJD-PSASIEDQSA-N -1 1 362.651 4.094 20 0 FIADMM CN(C)c1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000552197057 1111610931 /nfs/dbraw/zinc/61/09/31/1111610931.db2.gz SLWPGCDJGPGLEV-UHFFFAOYSA-N -1 1 369.646 4.126 20 0 FIADMM O=C(Cc1cccc(F)c1)Nc1c([O-])cc(Br)cc1Cl ZINC000552206298 1111616123 /nfs/dbraw/zinc/61/61/23/1111616123.db2.gz MUHVYSWAXAREDA-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM Cc1ccccc1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552207606 1111626859 /nfs/dbraw/zinc/62/68/59/1111626859.db2.gz XIDZEBMJTSSAHF-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000478075572 1111671007 /nfs/dbraw/zinc/67/10/07/1111671007.db2.gz LKMSOWIAAAMHDG-AZUAARDMSA-N -1 1 372.490 4.108 20 0 FIADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000478075575 1111671116 /nfs/dbraw/zinc/67/11/16/1111671116.db2.gz LKMSOWIAAAMHDG-UYAOXDASSA-N -1 1 372.490 4.108 20 0 FIADMM O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000552402116 1111701385 /nfs/dbraw/zinc/70/13/85/1111701385.db2.gz PGTVMDHBRAWTCW-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000478451940 1111784739 /nfs/dbraw/zinc/78/47/39/1111784739.db2.gz QCSWQPSOOZUMAF-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM CC[C@H](C)CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000478897805 1111913005 /nfs/dbraw/zinc/91/30/05/1111913005.db2.gz MSBFSGSCZZAOJV-ZDUSSCGKSA-N -1 1 364.442 4.001 20 0 FIADMM O=C(Nc1nc(C2CCOCC2)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000553302845 1111947950 /nfs/dbraw/zinc/94/79/50/1111947950.db2.gz GMBRQJUHHRGHFR-UHFFFAOYSA-N -1 1 372.368 4.014 20 0 FIADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000479487752 1112041043 /nfs/dbraw/zinc/04/10/43/1112041043.db2.gz HAVKFYASGOCMOW-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479507983 1112047161 /nfs/dbraw/zinc/04/71/61/1112047161.db2.gz DPBMDEMJTLSWMF-UHFFFAOYSA-N -1 1 374.487 4.326 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000827973325 1112443019 /nfs/dbraw/zinc/44/30/19/1112443019.db2.gz JMWRDPMDQPWDGD-GFCCVEGCSA-N -1 1 367.070 4.376 20 0 FIADMM Cc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)c2cc(F)ccc2n1 ZINC000555129026 1112682501 /nfs/dbraw/zinc/68/25/01/1112682501.db2.gz QZQQIHDUDNJGOK-UHFFFAOYSA-N -1 1 354.410 4.029 20 0 FIADMM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000899767865 1112986441 /nfs/dbraw/zinc/98/64/41/1112986441.db2.gz UAZBOHXUMLWJHM-RDJZCZTQSA-N -1 1 360.498 4.122 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1Cl ZINC000481610842 1112994100 /nfs/dbraw/zinc/99/41/00/1112994100.db2.gz PZFLDCCYCFJXLC-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000481611013 1112994184 /nfs/dbraw/zinc/99/41/84/1112994184.db2.gz KSCOVXZIPUMRFC-AWEZNQCLSA-N -1 1 360.417 4.012 20 0 FIADMM Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3cncc([O-])c3)cc2c1 ZINC000555886333 1113046498 /nfs/dbraw/zinc/04/64/98/1113046498.db2.gz JNAUYBJLUZZEPL-UHFFFAOYSA-N -1 1 362.385 4.277 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(NC4CC4)nc3)n2)cc(Cl)c1[O-] ZINC000555999696 1113102232 /nfs/dbraw/zinc/10/22/32/1113102232.db2.gz HQZGNQQULLMKNG-UHFFFAOYSA-N -1 1 372.812 4.131 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c(Cl)c1 ZINC000481958712 1113141576 /nfs/dbraw/zinc/14/15/76/1113141576.db2.gz CVULTHVWPBELSS-UHFFFAOYSA-N -1 1 365.669 4.459 20 0 FIADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000481983965 1113144650 /nfs/dbraw/zinc/14/46/50/1113144650.db2.gz UNZKYAFXHGQRJN-UHFFFAOYSA-N -1 1 355.818 4.211 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)COc2ccccc2)c1 ZINC000482527465 1113286933 /nfs/dbraw/zinc/28/69/33/1113286933.db2.gz FCQTYPVEYWUPFU-GFCCVEGCSA-N -1 1 364.239 4.117 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000482579272 1113301979 /nfs/dbraw/zinc/30/19/79/1113301979.db2.gz NOFWKCRWBGROCC-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM CCOc1ccccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482607513 1113307995 /nfs/dbraw/zinc/30/79/95/1113307995.db2.gz UJRDVYKHSVTWKE-UHFFFAOYSA-N -1 1 350.212 4.114 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cccc3cccnc32)c1 ZINC000482609907 1113308613 /nfs/dbraw/zinc/30/86/13/1113308613.db2.gz ZLTNJWXEISIHDX-UHFFFAOYSA-N -1 1 371.234 4.193 20 0 FIADMM CN(CCCCc1ccccc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000483151063 1113454953 /nfs/dbraw/zinc/45/49/53/1113454953.db2.gz KZSRVHMBTVJOBA-UHFFFAOYSA-N -1 1 362.267 4.250 20 0 FIADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486840603 1113661023 /nfs/dbraw/zinc/66/10/23/1113661023.db2.gz BYEGZSXQZRXECO-WDEREUQCSA-N -1 1 363.255 4.106 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CC[C@H]1c1ccccc1 ZINC000487757617 1113801517 /nfs/dbraw/zinc/80/15/17/1113801517.db2.gz JZTMTTIYDPLARX-CZUORRHYSA-N -1 1 374.278 4.421 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000488252900 1113890039 /nfs/dbraw/zinc/89/00/39/1113890039.db2.gz UNYBOPCMPPGVGM-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc(C(C)C)no2)cc1 ZINC000488271698 1113895509 /nfs/dbraw/zinc/89/55/09/1113895509.db2.gz LESPQNUBAYNEMZ-UHFFFAOYSA-N -1 1 371.462 4.223 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000488856002 1114007351 /nfs/dbraw/zinc/00/73/51/1114007351.db2.gz KBSNDYIVOXXQEP-HNNXBMFYSA-N -1 1 374.278 4.250 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2c(C)onc2-c2ccc(F)cc2)s1 ZINC000031876923 1114152716 /nfs/dbraw/zinc/15/27/16/1114152716.db2.gz NWQRVURRBKBEAL-UHFFFAOYSA-N -1 1 360.414 4.236 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000150923348 1114173352 /nfs/dbraw/zinc/17/33/52/1114173352.db2.gz NZOXWPQTSPLZDG-UHFFFAOYSA-N -1 1 370.522 4.099 20 0 FIADMM CC(C)(C)c1cc2cccnc2c(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000913154289 1114301427 /nfs/dbraw/zinc/30/14/27/1114301427.db2.gz QZJYECJWUZIYEW-UHFFFAOYSA-N -1 1 362.433 4.158 20 0 FIADMM Cc1cc(N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])ccc1O ZINC000913528464 1114375603 /nfs/dbraw/zinc/37/56/03/1114375603.db2.gz YFRMRYUJERQLOD-UHFFFAOYSA-N -1 1 372.421 4.030 20 0 FIADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(Cl)sc1Cl ZINC000156341387 1114418856 /nfs/dbraw/zinc/41/88/56/1114418856.db2.gz SXQDZZBPPSOCLM-UHFFFAOYSA-N -1 1 368.039 4.170 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1cccc(C(F)F)c1 ZINC000780396228 1114463331 /nfs/dbraw/zinc/46/33/31/1114463331.db2.gz XOXXZUXNGKVOMK-UHFFFAOYSA-N -1 1 364.373 4.444 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1C ZINC000587994440 1114508336 /nfs/dbraw/zinc/50/83/36/1114508336.db2.gz ZWSSAHMENZJMON-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000588639158 1114589848 /nfs/dbraw/zinc/58/98/48/1114589848.db2.gz VJGLYLOVJPNZHZ-UHFFFAOYSA-N -1 1 360.479 4.171 20 0 FIADMM CC1(C)[C@@H](C(F)(F)F)CCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000572250472 1114619679 /nfs/dbraw/zinc/61/96/79/1114619679.db2.gz VYUZENYMXMXNPT-ZDUSSCGKSA-N -1 1 365.779 4.080 20 0 FIADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000588833294 1114662253 /nfs/dbraw/zinc/66/22/53/1114662253.db2.gz HKGOVCIZBAVERQ-LLVKDONJSA-N -1 1 359.369 4.214 20 0 FIADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590101652 1114894363 /nfs/dbraw/zinc/89/43/63/1114894363.db2.gz REIHQKRFZLHPGO-UZLBHIALSA-N -1 1 372.509 4.355 20 0 FIADMM CC(C)C[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000590124451 1114897323 /nfs/dbraw/zinc/89/73/23/1114897323.db2.gz YLYPGNCJWWCNOR-INIZCTEOSA-N -1 1 374.506 4.498 20 0 FIADMM Cc1cc(C)c(-c2nnc(SCC(=O)c3ccc([O-])cc3)o2)c(C)c1 ZINC000590654547 1114960092 /nfs/dbraw/zinc/96/00/92/1114960092.db2.gz BZDOLIMGGGWIIQ-UHFFFAOYSA-N -1 1 354.431 4.342 20 0 FIADMM CCc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)[n-]c(=O)c1C ZINC000573817549 1115184412 /nfs/dbraw/zinc/18/44/12/1115184412.db2.gz WYHOOCNLKRCJFM-UHFFFAOYSA-N -1 1 372.277 4.091 20 0 FIADMM COc1ccccc1[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000592454463 1115233277 /nfs/dbraw/zinc/23/32/77/1115233277.db2.gz WQYASFYOFAYUTR-CQSZACIVSA-N -1 1 350.422 4.043 20 0 FIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000574870264 1115515710 /nfs/dbraw/zinc/51/57/10/1115515710.db2.gz SAOKIXLTLKFGHV-UHFFFAOYSA-N -1 1 372.446 4.218 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(CC(C)C)C(C)C)cc1 ZINC000171484388 1115868748 /nfs/dbraw/zinc/86/87/48/1115868748.db2.gz SOVDYQUYOYDPPP-UHFFFAOYSA-N -1 1 360.527 4.199 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2ccc(Br)s2)[n-]1 ZINC000605446512 1115896136 /nfs/dbraw/zinc/89/61/36/1115896136.db2.gz FUFKHQRWDQCAOY-UHFFFAOYSA-N -1 1 371.203 4.317 20 0 FIADMM O=S(=O)([N-]c1c(O)cccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000608004353 1116077841 /nfs/dbraw/zinc/07/78/41/1116077841.db2.gz GWRFNSHUIVBNLH-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc(F)c(Cl)c1 ZINC000608343072 1116100564 /nfs/dbraw/zinc/10/05/64/1116100564.db2.gz ANJLOVVYXBDNFD-UHFFFAOYSA-N -1 1 367.751 4.385 20 0 FIADMM Cc1nn(-c2ccc(C(=O)Nc3c([O-])cccc3F)cc2)c(C)c1Cl ZINC000608365801 1116102595 /nfs/dbraw/zinc/10/25/95/1116102595.db2.gz JUFAAGZGGBXUPD-UHFFFAOYSA-N -1 1 359.788 4.240 20 0 FIADMM Cc1cccc(-n2ccnc2SCC(=O)Nc2c([O-])cccc2F)c1C ZINC000608365916 1116102647 /nfs/dbraw/zinc/10/26/47/1116102647.db2.gz CTSNDTQGYLPCOT-UHFFFAOYSA-N -1 1 371.437 4.065 20 0 FIADMM COc1ccccc1-c1nc(C(=O)[N-]c2c(F)cc(F)cc2F)cs1 ZINC000608557429 1116115608 /nfs/dbraw/zinc/11/56/08/1116115608.db2.gz CHPYBYKXWCSTFS-UHFFFAOYSA-N -1 1 364.348 4.488 20 0 FIADMM COc1cc(C(=O)Nc2cc(Cl)cnc2OC(C)C)cc(Cl)c1[O-] ZINC000456196266 1116165334 /nfs/dbraw/zinc/16/53/34/1116165334.db2.gz CNSQKQOPJGQCLP-UHFFFAOYSA-N -1 1 371.220 4.142 20 0 FIADMM CCOc1cc(C(=O)NC2(Cc3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000456382076 1116183135 /nfs/dbraw/zinc/18/31/35/1116183135.db2.gz XUTWHUDEHZEIRQ-UHFFFAOYSA-N -1 1 363.816 4.089 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456563739 1116203347 /nfs/dbraw/zinc/20/33/47/1116203347.db2.gz MJJNHKMRSXIQFU-OAHLLOKOSA-N -1 1 362.223 4.115 20 0 FIADMM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781464 1116217997 /nfs/dbraw/zinc/21/79/97/1116217997.db2.gz DMODQDIPGSIBRY-UHFFFAOYSA-N -1 1 372.375 4.126 20 0 FIADMM C[C@@H](Oc1ccc(C(=O)Nc2ccc(F)cc2[O-])cn1)c1ccccc1 ZINC000534710706 1116228172 /nfs/dbraw/zinc/22/81/72/1116228172.db2.gz QSKCFWCYNPQPQN-CYBMUJFWSA-N -1 1 352.365 4.319 20 0 FIADMM CC(C)(C)c1ncsc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000535287174 1116290659 /nfs/dbraw/zinc/29/06/59/1116290659.db2.gz DBJYYPWPPDMTNJ-UHFFFAOYSA-N -1 1 366.899 4.220 20 0 FIADMM CCC[C@@H](C(=O)Nc1cc(C)cc(Br)c1[O-])c1ccccn1 ZINC000503861016 1116324336 /nfs/dbraw/zinc/32/43/36/1116324336.db2.gz XOVCJBSWIFNKGN-GFCCVEGCSA-N -1 1 363.255 4.381 20 0 FIADMM CCCCc1nc2ccc(NC(=O)CCc3ccccc3C(=O)[O-])cc2[nH]1 ZINC000539676902 1116363016 /nfs/dbraw/zinc/36/30/16/1116363016.db2.gz PPMQDJKGHLDZMK-UHFFFAOYSA-N -1 1 365.433 4.175 20 0 FIADMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000462699792 1116392536 /nfs/dbraw/zinc/39/25/36/1116392536.db2.gz FLAXOVJFIXQYLE-QMMMGPOBSA-N -1 1 368.307 4.256 20 0 FIADMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000462699788 1116392665 /nfs/dbraw/zinc/39/26/65/1116392665.db2.gz FLAXOVJFIXQYLE-MRVPVSSYSA-N -1 1 368.307 4.256 20 0 FIADMM Cc1nc(-c2ccc(NCC(C)(C)Oc3ccccc3)nc2)[n-]c(=O)c1C ZINC000462841857 1117799926 /nfs/dbraw/zinc/79/99/26/1117799926.db2.gz POTKXEILLNEMGR-UHFFFAOYSA-N -1 1 364.449 4.131 20 0 FIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1 ZINC000540209371 1117945221 /nfs/dbraw/zinc/94/52/21/1117945221.db2.gz MMPKEWNCZYFHOK-UHFFFAOYSA-N -1 1 374.487 4.398 20 0 FIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2nnc(-c3ccccc3)s2)s1 ZINC000463168349 1118001788 /nfs/dbraw/zinc/00/17/88/1118001788.db2.gz GXPFXNJENICYEP-SNVBAGLBSA-N -1 1 360.464 4.011 20 0 FIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2nnc(C(CC)CC)s2)s1 ZINC000463173664 1118006472 /nfs/dbraw/zinc/00/64/72/1118006472.db2.gz QHPPTKSYJXNSEZ-VIFPVBQESA-N -1 1 354.501 4.248 20 0 FIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2nnc(C(CC)CC)s2)s1 ZINC000463173663 1118006575 /nfs/dbraw/zinc/00/65/75/1118006575.db2.gz QHPPTKSYJXNSEZ-SECBINFHSA-N -1 1 354.501 4.248 20 0 FIADMM Cn1cc(-c2nc3ccc(Oc4ccc(Cl)cc4)cc3c(=O)[n-]2)cn1 ZINC000463224717 1118035564 /nfs/dbraw/zinc/03/55/64/1118035564.db2.gz GFPCCKHTGRSVMI-UHFFFAOYSA-N -1 1 352.781 4.182 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1Cl ZINC000540562206 1118130372 /nfs/dbraw/zinc/13/03/72/1118130372.db2.gz CBVKAEFTEDFHQR-UHFFFAOYSA-N -1 1 364.898 4.358 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)s1 ZINC000540644992 1118171372 /nfs/dbraw/zinc/17/13/72/1118171372.db2.gz CPJRSSDXSHIKDT-UHFFFAOYSA-N -1 1 362.842 4.396 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1Cl ZINC000463503054 1118184388 /nfs/dbraw/zinc/18/43/88/1118184388.db2.gz FTVCRRKKAAKNDQ-UHFFFAOYSA-N -1 1 352.868 4.344 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1OC(C)C ZINC000463792271 1118325512 /nfs/dbraw/zinc/32/55/12/1118325512.db2.gz ZAZHGBTZQSUJGK-UHFFFAOYSA-N -1 1 371.458 4.436 20 0 FIADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(C(C)(C)C)cc3)cs2)on1 ZINC000541545338 1118549459 /nfs/dbraw/zinc/54/94/59/1118549459.db2.gz KPQZXTZYWBRLCO-UHFFFAOYSA-N -1 1 357.435 4.357 20 0 FIADMM O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccc2c(c1)COC2 ZINC000464831220 1118714236 /nfs/dbraw/zinc/71/42/36/1118714236.db2.gz MSWDNJQCPGHJCS-UHFFFAOYSA-N -1 1 371.380 4.013 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccc2c(c1)CCC2 ZINC000303470321 1118945381 /nfs/dbraw/zinc/94/53/81/1118945381.db2.gz QLAZEWUBJHTUFL-UHFFFAOYSA-N -1 1 366.442 4.163 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000006415574 1119446615 /nfs/dbraw/zinc/44/66/15/1119446615.db2.gz CTSFTGQQFLQJCP-UHFFFAOYSA-N -1 1 370.268 4.037 20 0 FIADMM CCCN(CCc1cccs1)C(=O)c1ccc(Br)c([O-])c1 ZINC000185654691 1119679106 /nfs/dbraw/zinc/67/91/06/1119679106.db2.gz VUCRXSKAEQYGSQ-UHFFFAOYSA-N -1 1 368.296 4.311 20 0 FIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)cc1 ZINC000187056898 1119763947 /nfs/dbraw/zinc/76/39/47/1119763947.db2.gz FFVDPIAFLVNOCC-UHFFFAOYSA-N -1 1 372.446 4.199 20 0 FIADMM CCOc1cc(C(=O)Nc2c3c(ccc2OC)CCC3)cc(Cl)c1[O-] ZINC000190811276 1119949786 /nfs/dbraw/zinc/94/97/86/1119949786.db2.gz STSNLFDLACMSFE-UHFFFAOYSA-N -1 1 361.825 4.194 20 0 FIADMM COc1cc(OC)c(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1Cl ZINC000190922402 1119954277 /nfs/dbraw/zinc/95/42/77/1119954277.db2.gz UGCAUZQWERRRJR-UHFFFAOYSA-N -1 1 357.193 4.360 20 0 FIADMM CCOc1cc(C(=O)Nc2cc(-n3cccn3)ccc2C)cc(Cl)c1[O-] ZINC000191840123 1119998424 /nfs/dbraw/zinc/99/84/24/1119998424.db2.gz ZWPQJTVXKPPZQO-UHFFFAOYSA-N -1 1 371.824 4.191 20 0 FIADMM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000192203600 1120039958 /nfs/dbraw/zinc/03/99/58/1120039958.db2.gz SYRHHYCAVWHAQI-HNNXBMFYSA-N -1 1 362.813 4.247 20 0 FIADMM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000192203607 1120040109 /nfs/dbraw/zinc/04/01/09/1120040109.db2.gz SYRHHYCAVWHAQI-OAHLLOKOSA-N -1 1 362.813 4.247 20 0 FIADMM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192206705 1120040685 /nfs/dbraw/zinc/04/06/85/1120040685.db2.gz QJWKHWHDDGXWTK-UHFFFAOYSA-N -1 1 361.829 4.136 20 0 FIADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1cccc(F)c1 ZINC000192254145 1120046579 /nfs/dbraw/zinc/04/65/79/1120046579.db2.gz VQGVPQHMAJFIOG-UHFFFAOYSA-N -1 1 360.776 4.323 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1 ZINC000195749615 1120229462 /nfs/dbraw/zinc/22/94/62/1120229462.db2.gz WDWUVBKGVBTPEE-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCSc3ccccc32)cc(Cl)c1[O-] ZINC000194341300 1120261063 /nfs/dbraw/zinc/26/10/63/1120261063.db2.gz GALBHAPGLYOTLY-CQSZACIVSA-N -1 1 363.866 4.411 20 0 FIADMM CCC[C@H](C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000761847889 1120537419 /nfs/dbraw/zinc/53/74/19/1120537419.db2.gz HNISQVBXEIECDE-AWEZNQCLSA-N -1 1 371.462 4.441 20 0 FIADMM Cc1cc2cc(NC(=O)Cn3c(=S)[n-]nc3-c3cccs3)ccc2[nH]1 ZINC000032432657 1120932942 /nfs/dbraw/zinc/93/29/42/1120932942.db2.gz AQTAJDRLIWXXHA-UHFFFAOYSA-N -1 1 369.475 4.098 20 0 FIADMM CCOc1cc(C(=O)NC(C)(C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000762597446 1120936820 /nfs/dbraw/zinc/93/68/20/1120936820.db2.gz GWPNRFCPMUWWJJ-UHFFFAOYSA-N -1 1 351.805 4.249 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1C ZINC000031534537 1121084658 /nfs/dbraw/zinc/08/46/58/1121084658.db2.gz SZCRNMGHJNJSFA-UHFFFAOYSA-N -1 1 355.463 4.111 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(c2ccccc2)CC1 ZINC000032746656 1121117117 /nfs/dbraw/zinc/11/71/17/1121117117.db2.gz JBIGGLAFTNLHFE-UHFFFAOYSA-N -1 1 360.251 4.175 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C4CC4)no3)c2)c1 ZINC000055662990 1121262880 /nfs/dbraw/zinc/26/28/80/1121262880.db2.gz QCXICKJBLRKTRP-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCC1 ZINC000046611585 1121285529 /nfs/dbraw/zinc/28/55/29/1121285529.db2.gz KHAWLVKEZTXJBN-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccccc1Cl ZINC000107246070 1121336587 /nfs/dbraw/zinc/33/65/87/1121336587.db2.gz CVWVOJPPNLAXTB-UHFFFAOYSA-N -1 1 350.871 4.131 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000123363286 1121453515 /nfs/dbraw/zinc/45/35/15/1121453515.db2.gz ZRQGBSWGDXNJQD-UHFFFAOYSA-N -1 1 353.462 4.499 20 0 FIADMM Cc1nc(-c2cccc(CNC(=O)Cc3ccc([O-])c(Cl)c3)c2)cs1 ZINC001168587489 1121556950 /nfs/dbraw/zinc/55/69/50/1121556950.db2.gz KSTSMTJPUAVQGH-UHFFFAOYSA-N -1 1 372.877 4.336 20 0 FIADMM O=C(c1cc(F)cc(Nc2cc([O-])c(F)c(F)c2)c1)N1CCCCC1 ZINC001212215347 1121667773 /nfs/dbraw/zinc/66/77/73/1121667773.db2.gz HZNCRDHVNOOHDV-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM Cc1c(NC(=O)c2ccc3ccccc3c2[O-])cccc1C(=O)N1CCCC1 ZINC000124204669 1121671808 /nfs/dbraw/zinc/67/18/08/1121671808.db2.gz GPPCGCFMGORSPD-UHFFFAOYSA-N -1 1 374.440 4.342 20 0 FIADMM CCN(Cc1ccccc1NC(=O)c1ccc2ccccc2c1[O-])C(C)=O ZINC000124227523 1121673718 /nfs/dbraw/zinc/67/37/18/1121673718.db2.gz SUHYIDGQYPXYDA-UHFFFAOYSA-N -1 1 362.429 4.166 20 0 FIADMM CC(C)c1nocc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000624369623 1121754201 /nfs/dbraw/zinc/75/42/01/1121754201.db2.gz KHMIJEKCRFKGFN-UHFFFAOYSA-N -1 1 360.464 4.194 20 0 FIADMM CCCC[C@@H](CC)C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424113 1121827568 /nfs/dbraw/zinc/82/75/68/1121827568.db2.gz AIKGNGCFBYAVQN-CYBMUJFWSA-N -1 1 350.532 4.198 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000068435553 1121827616 /nfs/dbraw/zinc/82/76/16/1121827616.db2.gz NJJYQKRDEMFDSY-UHFFFAOYSA-N -1 1 364.902 4.195 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000671773881 1121960455 /nfs/dbraw/zinc/96/04/55/1121960455.db2.gz UGCQNLRMKURCKY-MAODMQOUSA-N -1 1 369.505 4.420 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c(C)s1 ZINC000917056161 1122033341 /nfs/dbraw/zinc/03/33/41/1122033341.db2.gz YWBSBUWCFPEFEG-UHFFFAOYSA-N -1 1 350.509 4.156 20 0 FIADMM C[C@@H](Nc1cnn(C(C)(C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000186357453 1122053336 /nfs/dbraw/zinc/05/33/36/1122053336.db2.gz YVUXAHUPWOZVQR-SECBINFHSA-N -1 1 356.239 4.418 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)c([O-])c1 ZINC001649116903 1122110557 /nfs/dbraw/zinc/11/05/57/1122110557.db2.gz QKHMKRIDWXZBLA-UHFFFAOYSA-N -1 1 365.360 4.023 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000067177094 1122139933 /nfs/dbraw/zinc/13/99/33/1122139933.db2.gz URAKPIYXFHZEQO-MRXNPFEDSA-N -1 1 370.207 4.052 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1C ZINC000055586212 1122255560 /nfs/dbraw/zinc/25/55/60/1122255560.db2.gz SURCAJOAMNKAEA-UHFFFAOYSA-N -1 1 372.446 4.131 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3cccs3)n2)s1 ZINC000055975872 1122285230 /nfs/dbraw/zinc/28/52/30/1122285230.db2.gz SZNCTGXIHVUKJO-UHFFFAOYSA-N -1 1 350.494 4.273 20 0 FIADMM Cc1c(=O)[n-]c(SC[C@]23CCCC[C@H]2CC(=O)O3)nc1-c1ccccc1 ZINC000917468190 1122328508 /nfs/dbraw/zinc/32/85/08/1122328508.db2.gz LENTZRSIFFVAKV-MGPUTAFESA-N -1 1 370.474 4.126 20 0 FIADMM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000917719742 1122409329 /nfs/dbraw/zinc/40/93/29/1122409329.db2.gz AFOWTQXNUYKKIQ-UHFFFAOYSA-N -1 1 361.463 4.115 20 0 FIADMM O=S(=O)([N-]c1cccc(COc2ccccc2)c1)c1ccc(F)cc1 ZINC000917764067 1122437732 /nfs/dbraw/zinc/43/77/32/1122437732.db2.gz VFOPVFKWXFISRC-UHFFFAOYSA-N -1 1 357.406 4.206 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000497863214 1122444342 /nfs/dbraw/zinc/44/43/42/1122444342.db2.gz SHYCTHNHOXBBSC-UHFFFAOYSA-N -1 1 364.898 4.358 20 0 FIADMM Cc1ccc(N2CCCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000917824775 1122459095 /nfs/dbraw/zinc/45/90/95/1122459095.db2.gz KXYYKGHDSXUOBD-UHFFFAOYSA-N -1 1 360.457 4.206 20 0 FIADMM CCC/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000918202576 1122589922 /nfs/dbraw/zinc/58/99/22/1122589922.db2.gz MMGQGFLJQIPQIA-UXBLZVDNSA-N -1 1 372.490 4.399 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000129557820 1122636419 /nfs/dbraw/zinc/63/64/19/1122636419.db2.gz AYNHYINHIDZUBK-UHFFFAOYSA-N -1 1 366.244 4.386 20 0 FIADMM O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc([O-])c(Cl)c1 ZINC000129613432 1122649962 /nfs/dbraw/zinc/64/99/62/1122649962.db2.gz RNFZABBEKJVDMZ-UHFFFAOYSA-N -1 1 362.760 4.190 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(-c2ccc(F)cc2)on1 ZINC000129763240 1122695254 /nfs/dbraw/zinc/69/52/54/1122695254.db2.gz OQDHUBRNWHDZQS-UHFFFAOYSA-N -1 1 372.406 4.313 20 0 FIADMM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(F)c(F)c(F)c2F)n1 ZINC000131572535 1123121558 /nfs/dbraw/zinc/12/15/58/1123121558.db2.gz PCTFYOULPDLRHN-UHFFFAOYSA-N -1 1 373.356 4.384 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000499330205 1123431551 /nfs/dbraw/zinc/43/15/51/1123431551.db2.gz QDGDADNLWIMVQU-UHFFFAOYSA-N -1 1 363.389 4.124 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000133765646 1123529760 /nfs/dbraw/zinc/52/97/60/1123529760.db2.gz DDBGVHOQCWWMRJ-GFCCVEGCSA-N -1 1 353.315 4.180 20 0 FIADMM c1nn(-c2ccccc2)cc1[N-]c1nn2cc(-c3ccccc3)nc2s1 ZINC000921059415 1123559151 /nfs/dbraw/zinc/55/91/51/1123559151.db2.gz XEGOJMPZXXITLW-UHFFFAOYSA-N -1 1 358.430 4.387 20 0 FIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1C ZINC000134441818 1123638020 /nfs/dbraw/zinc/63/80/20/1123638020.db2.gz WGYNLDVSQLMNLS-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000135076321 1123714865 /nfs/dbraw/zinc/71/48/65/1123714865.db2.gz GHYXHYYVXABNIZ-AWEZNQCLSA-N -1 1 367.630 4.004 20 0 FIADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000609459486 1123719282 /nfs/dbraw/zinc/71/92/82/1123719282.db2.gz QTELYZGVMKTAAB-UHFFFAOYSA-N -1 1 372.309 4.113 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1Cl ZINC000135505929 1123768196 /nfs/dbraw/zinc/76/81/96/1123768196.db2.gz LKWIUYNPYYRMDY-UHFFFAOYSA-N -1 1 371.796 4.263 20 0 FIADMM CN(c1ccccc1)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000079704801 1123917023 /nfs/dbraw/zinc/91/70/23/1123917023.db2.gz XZWPJIGDOMTVHL-UHFFFAOYSA-N -1 1 360.457 4.286 20 0 FIADMM O=C(Cc1cc(F)ccc1Br)Nc1ccc([O-])c(Cl)c1 ZINC000137390172 1123971453 /nfs/dbraw/zinc/97/14/53/1123971453.db2.gz GWCCNGJRFMAFRK-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM O=C(Cc1cc(Br)ccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000137390271 1123971470 /nfs/dbraw/zinc/97/14/70/1123971470.db2.gz XSPAMMMQQZGZFN-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(OCCC(C)C)c1 ZINC000081592569 1124066957 /nfs/dbraw/zinc/06/69/57/1124066957.db2.gz SEENAGDZMIKUJX-UHFFFAOYSA-N -1 1 371.481 4.053 20 0 FIADMM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](c2ccco2)c2ccccc2)c1[O-] ZINC000237961177 1124209557 /nfs/dbraw/zinc/20/95/57/1124209557.db2.gz VKYHHWZBJFSXNF-QGZVFWFLSA-N -1 1 358.781 4.426 20 0 FIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617098029 1124443291 /nfs/dbraw/zinc/44/32/91/1124443291.db2.gz NAWOGILDSOBRBR-UHFFFAOYSA-N -1 1 356.451 4.342 20 0 FIADMM Cc1nc(C(=O)[N-]c2nnc(CCC(C)C)s2)c(-c2ccccc2)o1 ZINC000617095445 1124443665 /nfs/dbraw/zinc/44/36/65/1124443665.db2.gz PDLNWAAJJZOTCA-UHFFFAOYSA-N -1 1 356.451 4.342 20 0 FIADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1csc(-c2ccoc2)n1 ZINC000109112106 1124536810 /nfs/dbraw/zinc/53/68/10/1124536810.db2.gz REMMGMCELNXODH-UHFFFAOYSA-N -1 1 360.445 4.235 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nnc(-c2cccs2)o1 ZINC000109713498 1124589411 /nfs/dbraw/zinc/58/94/11/1124589411.db2.gz PYONAHXVNLCVKE-LURJTMIESA-N -1 1 374.369 4.166 20 0 FIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc(Cl)c1F ZINC000110122491 1124716898 /nfs/dbraw/zinc/71/68/98/1124716898.db2.gz KXPDHOADWQDERE-UHFFFAOYSA-N -1 1 372.824 4.019 20 0 FIADMM O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([O-])c(F)c1 ZINC000672170469 1124830647 /nfs/dbraw/zinc/83/06/47/1124830647.db2.gz CNNHIWARVTXLPJ-MRXNPFEDSA-N -1 1 369.314 4.311 20 0 FIADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000007060334 1124862970 /nfs/dbraw/zinc/86/29/70/1124862970.db2.gz BJDRNBAYYZSWNA-UHFFFAOYSA-N -1 1 360.866 4.360 20 0 FIADMM C[C@H]1CC(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H](C)C1 ZINC001212450012 1125063012 /nfs/dbraw/zinc/06/30/12/1125063012.db2.gz GZXWEIZCGXZYPM-NXEZZACHSA-N -1 1 368.301 4.483 20 0 FIADMM CC/C=C(\C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000214063917 1125278875 /nfs/dbraw/zinc/27/88/75/1125278875.db2.gz UWKFCYDJCSZAPD-FRKPEAEDSA-N -1 1 372.490 4.399 20 0 FIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)c(C)c1 ZINC000077959455 1125298294 /nfs/dbraw/zinc/29/82/94/1125298294.db2.gz ICSNYXMRALNJFS-CQSZACIVSA-N -1 1 374.506 4.059 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccccc1C(F)(F)F ZINC000016100685 210154169 /nfs/dbraw/zinc/15/41/69/210154169.db2.gz ADFRDDBSJYCJLT-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)c2ccccc12 ZINC000005249408 210082073 /nfs/dbraw/zinc/08/20/73/210082073.db2.gz KCLIDUOIRMPOPB-UHFFFAOYSA-N -1 1 357.431 4.048 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1 ZINC000014871297 220133744 /nfs/dbraw/zinc/13/37/44/220133744.db2.gz YWDGQAGCPZAAIQ-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM O=S(=O)([N-]c1cccc(C2SCCS2)c1)c1ccc(F)cc1 ZINC000017320003 211185136 /nfs/dbraw/zinc/18/51/36/211185136.db2.gz AQFMYHRUZGKZRK-UHFFFAOYSA-N -1 1 355.481 4.105 20 0 FIADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000051468005 567979398 /nfs/dbraw/zinc/97/93/98/567979398.db2.gz UUDJTMCEVLBBJG-DNVCBOLYSA-N -1 1 359.853 4.286 20 0 FIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000604303766 568245344 /nfs/dbraw/zinc/24/53/44/568245344.db2.gz NVIDASZRQJLVDT-UHFFFAOYSA-N -1 1 362.282 4.188 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCC3CC3)ccc2C)c1 ZINC000604307212 568247622 /nfs/dbraw/zinc/24/76/22/568247622.db2.gz YCPFWSVVHOYNHZ-UHFFFAOYSA-N -1 1 372.490 4.233 20 0 FIADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)n1 ZINC000072034525 568340905 /nfs/dbraw/zinc/34/09/05/568340905.db2.gz RAOREGTVLSFXCN-UHFFFAOYSA-N -1 1 363.439 4.135 20 0 FIADMM Cc1ccc(NC(=O)c2cccs2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001329972 568360268 /nfs/dbraw/zinc/36/02/68/568360268.db2.gz HQPNRXULPSMMFV-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2s1 ZINC000114232783 1125488825 /nfs/dbraw/zinc/48/88/25/1125488825.db2.gz KKZDCGLZETVSHV-UHFFFAOYSA-N -1 1 352.868 4.367 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC([C@H]2CCCCO2)CC1 ZINC000619162484 1125504872 /nfs/dbraw/zinc/50/48/72/1125504872.db2.gz LWQCFHNBIVDPHB-GOSISDBHSA-N -1 1 374.868 4.015 20 0 FIADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000619533509 1125609003 /nfs/dbraw/zinc/60/90/03/1125609003.db2.gz NKTJZRZFJQVMNP-UHFFFAOYSA-N -1 1 357.834 4.205 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)ccc1F ZINC000152976112 1125706518 /nfs/dbraw/zinc/70/65/18/1125706518.db2.gz XDCNDBPQFZJXEI-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000152979096 1125706921 /nfs/dbraw/zinc/70/69/21/1125706921.db2.gz RLNDSQMKEIVJOO-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM C[C@]1(CCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1(Cl)Cl ZINC001648786687 1079652157 /nfs/dbraw/zinc/65/21/57/1079652157.db2.gz UWSYJGXXLXTCGX-HNNXBMFYSA-N -1 1 373.667 4.298 20 0 FIADMM O=C([O-])[C@@H](NCc1ccccc1Cl)c1cccc(Br)c1 ZINC000683175325 1079822261 /nfs/dbraw/zinc/82/22/61/1079822261.db2.gz UWFDZFKJXLMYGP-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1OCC ZINC000064474710 1079891158 /nfs/dbraw/zinc/89/11/58/1079891158.db2.gz IIOKQYIHZJWQLI-UHFFFAOYSA-N -1 1 367.492 4.007 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(F)cc1 ZINC000026548186 1079905503 /nfs/dbraw/zinc/90/55/03/1079905503.db2.gz LBPJXUBNXMAZCR-UHFFFAOYSA-N -1 1 358.394 4.159 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cnc(-c2ccccc2)s1 ZINC000047076208 1079935475 /nfs/dbraw/zinc/93/54/75/1079935475.db2.gz HZASQEIVRMTJDE-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1 ZINC000014232433 1080236276 /nfs/dbraw/zinc/23/62/76/1080236276.db2.gz DANRIUXRSOCWGZ-INIZCTEOSA-N -1 1 369.490 4.246 20 0 FIADMM CCO[C@@H](C(=O)Nc1cc(C)cc(Br)c1[O-])c1ccccc1 ZINC000182931793 1080450296 /nfs/dbraw/zinc/45/02/96/1080450296.db2.gz CVNNIQDPKFJJAJ-MRXNPFEDSA-N -1 1 364.239 4.179 20 0 FIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccncc1F ZINC000180168508 1080464899 /nfs/dbraw/zinc/46/48/99/1080464899.db2.gz XOLOGYRXDKMZPG-UHFFFAOYSA-N -1 1 356.831 4.198 20 0 FIADMM CCCC1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000471238547 1080506659 /nfs/dbraw/zinc/50/66/59/1080506659.db2.gz UMRJQKGLSWBWBW-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000430308637 1080648170 /nfs/dbraw/zinc/64/81/70/1080648170.db2.gz YGPOZTBZEYLGKV-UHFFFAOYSA-N -1 1 360.719 4.110 20 0 FIADMM O=c1nc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)[n-]c2ccsc21 ZINC000025400792 1080683991 /nfs/dbraw/zinc/68/39/91/1080683991.db2.gz VQFVRXJJRUCWTK-SFHVURJKSA-N -1 1 373.481 4.132 20 0 FIADMM O=c1nc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)[n-]c2ccsc21 ZINC000025400792 1080683995 /nfs/dbraw/zinc/68/39/95/1080683995.db2.gz VQFVRXJJRUCWTK-SFHVURJKSA-N -1 1 373.481 4.132 20 0 FIADMM CCOc1cc(C(=O)Nc2cc3cc(OC)ccc3[nH]2)cc(Cl)c1[O-] ZINC000683356966 1080726607 /nfs/dbraw/zinc/72/66/07/1080726607.db2.gz LWBRDTPNLSFCQL-UHFFFAOYSA-N -1 1 360.797 4.187 20 0 FIADMM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1nccs1 ZINC000683535953 1081053764 /nfs/dbraw/zinc/05/37/64/1081053764.db2.gz UXEJNJFOMXBOSJ-UHFFFAOYSA-N -1 1 368.896 4.193 20 0 FIADMM O=c1cc(CSc2nccn2Cc2ccccc2)c2ccc([O-])cc2o1 ZINC000022058539 1081135982 /nfs/dbraw/zinc/13/59/82/1081135982.db2.gz SVOZGNFJKOWSHI-UHFFFAOYSA-N -1 1 364.426 4.036 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)c1 ZINC000064374060 1081278490 /nfs/dbraw/zinc/27/84/90/1081278490.db2.gz IXQIZGWRCJQHSY-UHFFFAOYSA-N -1 1 361.463 4.115 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001648850618 1081295114 /nfs/dbraw/zinc/29/51/14/1081295114.db2.gz JDRSCZJTTBQBET-UHFFFAOYSA-N -1 1 366.179 4.276 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1nccc2c(Br)cccc12 ZINC001648851102 1081298486 /nfs/dbraw/zinc/29/84/86/1081298486.db2.gz VATKAXCVCYXENL-UHFFFAOYSA-N -1 1 361.170 4.094 20 0 FIADMM CCCc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)sc1C ZINC000119444431 1081562088 /nfs/dbraw/zinc/56/20/88/1081562088.db2.gz NOXLCRNXJDYENY-UHFFFAOYSA-N -1 1 371.502 4.450 20 0 FIADMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(C(F)F)cc1 ZINC000580249674 1081780079 /nfs/dbraw/zinc/78/00/79/1081780079.db2.gz KJZJOXCVRBAUSY-UHFFFAOYSA-N -1 1 362.195 4.188 20 0 FIADMM Cc1c(Cl)cccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683860718 1081825624 /nfs/dbraw/zinc/82/56/24/1081825624.db2.gz JZXQADPGHTUSIA-UHFFFAOYSA-N -1 1 357.837 4.089 20 0 FIADMM O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccc([O-])c(F)c1 ZINC000683882690 1081862652 /nfs/dbraw/zinc/86/26/52/1081862652.db2.gz XMOOAKLNKBAEDY-UHFFFAOYSA-N -1 1 360.291 4.249 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H](C)CCCc3cccnc3)nc2)[n-]c(=O)c1C ZINC000413400478 1081926682 /nfs/dbraw/zinc/92/66/82/1081926682.db2.gz UHZWGEITTYKXTR-AWEZNQCLSA-N -1 1 363.465 4.079 20 0 FIADMM CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cncc([O-])c1 ZINC000580588288 1082031641 /nfs/dbraw/zinc/03/16/41/1082031641.db2.gz HLHUWGUJJLDWBQ-GOSISDBHSA-N -1 1 365.477 4.149 20 0 FIADMM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)CCc1ccccc1)C(F)(F)F ZINC000580944473 1082241621 /nfs/dbraw/zinc/24/16/21/1082241621.db2.gz MRTSDDQDIDIIKD-CYBMUJFWSA-N -1 1 373.396 4.001 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(OCC2CC2)c1 ZINC000580977588 1082263148 /nfs/dbraw/zinc/26/31/48/1082263148.db2.gz NMINSFKFLMQUBS-UHFFFAOYSA-N -1 1 356.353 4.046 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc2ccccc2c1 ZINC000048230604 1082292164 /nfs/dbraw/zinc/29/21/64/1082292164.db2.gz DSEZAPOKWHJFOU-UHFFFAOYSA-N -1 1 350.399 4.296 20 0 FIADMM C[C@@H](CN(C)Cc1cc(C(=O)[O-])co1)Oc1ccc(Cl)c(Cl)c1 ZINC000581434745 1082575260 /nfs/dbraw/zinc/57/52/60/1082575260.db2.gz KLZCBZVYJMBPEK-JTQLQIEISA-N -1 1 358.221 4.184 20 0 FIADMM Cc1ccc(-c2ncc(CN[C@H](CC(=O)[O-])c3ccncc3)s2)cc1C ZINC000656569571 1082594611 /nfs/dbraw/zinc/59/46/11/1082594611.db2.gz RTUPGQNPYXWUNM-GOSISDBHSA-N -1 1 367.474 4.128 20 0 FIADMM CC(C)c1cc(C(=O)Nc2c([O-])cccc2F)c2cnn(C(C)C)c2n1 ZINC000605437771 1082684050 /nfs/dbraw/zinc/68/40/50/1082684050.db2.gz PWQDRKVSXZERHL-UHFFFAOYSA-N -1 1 356.401 4.233 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)cc2)co1 ZINC000780371250 1082728299 /nfs/dbraw/zinc/72/82/99/1082728299.db2.gz WDZRJKKUYYNPRE-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC([C@H]2CCCCO2)CC1 ZINC000656768684 1082759687 /nfs/dbraw/zinc/75/96/87/1082759687.db2.gz MXSJBDOSSBLIAA-IAGOWNOFSA-N -1 1 372.292 4.400 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000015805343 1083193533 /nfs/dbraw/zinc/19/35/33/1083193533.db2.gz WCBSYAFNOBHCAQ-CYBMUJFWSA-N -1 1 359.495 4.377 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1F ZINC000089102966 1083234227 /nfs/dbraw/zinc/23/42/27/1083234227.db2.gz MHXIZSMCRIHFDP-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)c(F)c1Cl ZINC000431142928 1083351492 /nfs/dbraw/zinc/35/14/92/1083351492.db2.gz HJZRKERTRGSMTI-UHFFFAOYSA-N -1 1 374.142 4.351 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1OCCC ZINC000016095994 1083353917 /nfs/dbraw/zinc/35/39/17/1083353917.db2.gz BYOPXWXQEDGWIS-UHFFFAOYSA-N -1 1 367.442 4.204 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1C ZINC000471977313 1083591948 /nfs/dbraw/zinc/59/19/48/1083591948.db2.gz GZMNQTSBUKUVDH-UHFFFAOYSA-N -1 1 351.493 4.143 20 0 FIADMM O=C(NCc1cc2c(s1)CCCC2)c1ccc(Br)c([O-])c1 ZINC000535715171 1083594023 /nfs/dbraw/zinc/59/40/23/1083594023.db2.gz KFCSPUQOBSNYOP-UHFFFAOYSA-N -1 1 366.280 4.025 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000535737488 1083608909 /nfs/dbraw/zinc/60/89/09/1083608909.db2.gz ARUDBAOIKBBYEO-UHFFFAOYSA-N -1 1 372.490 4.435 20 0 FIADMM COc1cc(CO)cc(Nc2c([O-])c(Br)ccc2Cl)c1 ZINC001216205475 1083709877 /nfs/dbraw/zinc/70/98/77/1083709877.db2.gz OIZWYDVGHPBGPG-UHFFFAOYSA-N -1 1 358.619 4.053 20 0 FIADMM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1ccc(C(F)(F)F)cn1 ZINC000588481850 1083883521 /nfs/dbraw/zinc/88/35/21/1083883521.db2.gz FHYBDXWEXMSQFY-SREVYHEPSA-N -1 1 362.760 4.166 20 0 FIADMM COc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC[C@H]2C)cc1C ZINC000150996788 1083951243 /nfs/dbraw/zinc/95/12/43/1083951243.db2.gz UZOBTIGWNJDHCL-MRXNPFEDSA-N -1 1 374.506 4.183 20 0 FIADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000684655999 1084070475 /nfs/dbraw/zinc/07/04/75/1084070475.db2.gz ZYGWJKHYCNNARE-UHFFFAOYSA-N -1 1 374.245 4.109 20 0 FIADMM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1ccc2c(c1)CCO2 ZINC000612795287 1084090544 /nfs/dbraw/zinc/09/05/44/1084090544.db2.gz CQRNZJKIVZKAIA-UHFFFAOYSA-N -1 1 365.410 4.322 20 0 FIADMM Cc1cnc(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)[n-]c1=O ZINC000657261718 1084116543 /nfs/dbraw/zinc/11/65/43/1084116543.db2.gz APVDUQSWCUJVMR-SFHVURJKSA-N -1 1 371.506 4.021 20 0 FIADMM CCc1nc(SCc2coc(-c3ccc(OC)cc3)n2)[n-]c(=O)c1C ZINC000657263957 1084129858 /nfs/dbraw/zinc/12/98/58/1084129858.db2.gz XZEBDFOKFQWJDJ-UHFFFAOYSA-N -1 1 357.435 4.009 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cc2ccccc2s1 ZINC001211536744 1084308615 /nfs/dbraw/zinc/30/86/15/1084308615.db2.gz ZPVOLKJUGSBIOT-JTQLQIEISA-N -1 1 353.415 4.219 20 0 FIADMM CSCc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1F ZINC000472499566 1084332554 /nfs/dbraw/zinc/33/25/54/1084332554.db2.gz MARGMTXOZJGUAC-UHFFFAOYSA-N -1 1 357.410 4.037 20 0 FIADMM Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000376224147 1084480058 /nfs/dbraw/zinc/48/00/58/1084480058.db2.gz DYZWTUUELCIOLA-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Br)c(Cl)c1 ZINC000236416960 1084633131 /nfs/dbraw/zinc/63/31/31/1084633131.db2.gz CMMXKFZRSONOSL-GFCCVEGCSA-N -1 1 360.679 4.322 20 0 FIADMM C[C@@H](C(=O)NCc1n[n-]c(=S)n1C1CC1)c1c(Cl)cccc1Cl ZINC000066637535 1084833812 /nfs/dbraw/zinc/83/38/12/1084833812.db2.gz SRBITUBRKWYBFD-MRVPVSSYSA-N -1 1 371.293 4.002 20 0 FIADMM CC(C)(C)c1ccc(CCCC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000066638397 1084834958 /nfs/dbraw/zinc/83/49/58/1084834958.db2.gz NOIBONXRSIESMO-UHFFFAOYSA-N -1 1 372.538 4.212 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000176662415 1084901381 /nfs/dbraw/zinc/90/13/81/1084901381.db2.gz IAXLOELNTLKGHK-GOEBONIOSA-N -1 1 372.538 4.247 20 0 FIADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000684866649 1084983727 /nfs/dbraw/zinc/98/37/27/1084983727.db2.gz UFXLMYSRAQXNTN-OBUJGBQQSA-N -1 1 367.489 4.337 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000018707210 1084999191 /nfs/dbraw/zinc/99/91/91/1084999191.db2.gz RKJZSMIZZBDVIF-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccccc1F)C1CC1 ZINC000684871061 1085000546 /nfs/dbraw/zinc/00/05/46/1085000546.db2.gz SIVWAWZNFFDHTA-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@@H](c2ccccc2)O1 ZINC000684873362 1085003370 /nfs/dbraw/zinc/00/33/70/1085003370.db2.gz AVZUBBWJCNCBHG-SJCJKPOMSA-N -1 1 365.351 4.013 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](c2ccccc2)CO1 ZINC000684875747 1085011654 /nfs/dbraw/zinc/01/16/54/1085011654.db2.gz LEKUPGHDDDALCJ-WBMJQRKESA-N -1 1 365.351 4.013 20 0 FIADMM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875313 1085014310 /nfs/dbraw/zinc/01/43/10/1085014310.db2.gz GEOYUKUMZIDBAC-VIFPVBQESA-N -1 1 357.303 4.050 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccccc1)CC(F)F ZINC000684876161 1085016839 /nfs/dbraw/zinc/01/68/39/1085016839.db2.gz RBTAABXVEQBZRE-UHFFFAOYSA-N -1 1 359.294 4.319 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000511128929 1085022237 /nfs/dbraw/zinc/02/22/37/1085022237.db2.gz COIVPRQEFHTSEL-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM CCC(CC)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431442553 1085109054 /nfs/dbraw/zinc/10/90/54/1085109054.db2.gz CWJNGMBNFDMUGS-UHFFFAOYSA-N -1 1 365.065 4.292 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000582568209 1085160966 /nfs/dbraw/zinc/16/09/66/1085160966.db2.gz QPKWQGDSWBGKFZ-UHFFFAOYSA-N -1 1 357.447 4.331 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)C2CCCCC2)cc1 ZINC000127964852 1085235404 /nfs/dbraw/zinc/23/54/04/1085235404.db2.gz PTGJISIBIOFHKG-CQSZACIVSA-N -1 1 358.511 4.001 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@@H]2C2CCCC2)c([O-])c1 ZINC001648916983 1085438457 /nfs/dbraw/zinc/43/84/57/1085438457.db2.gz ANOIRQZIZMHSPU-RHSMWYFYSA-N -1 1 374.481 4.295 20 0 FIADMM Cc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(Cl)c1 ZINC000078300131 1085687752 /nfs/dbraw/zinc/68/77/52/1085687752.db2.gz JYGXBPYORWHQER-UHFFFAOYSA-N -1 1 352.781 4.275 20 0 FIADMM O=C([O-])c1ccc(CN2CCC(Oc3ccccc3Cl)CC2)s1 ZINC000652391375 1085987981 /nfs/dbraw/zinc/98/79/81/1085987981.db2.gz VZLQUQGJZKHNJS-UHFFFAOYSA-N -1 1 351.855 4.143 20 0 FIADMM O=C([O-])c1cccc(Br)c1CN1CCS[C@H]2CCCC[C@H]21 ZINC000652428487 1086033332 /nfs/dbraw/zinc/03/33/32/1086033332.db2.gz PHECTLWJNPJYBF-CABCVRRESA-N -1 1 370.312 4.007 20 0 FIADMM O=C([O-])c1cccc(Cl)c1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434726 1086043617 /nfs/dbraw/zinc/04/36/17/1086043617.db2.gz FLXBANJJUYNDNE-GFCCVEGCSA-N -1 1 366.244 4.345 20 0 FIADMM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000535923037 1086144504 /nfs/dbraw/zinc/14/45/04/1086144504.db2.gz KCZLRQVWJXKNCV-GFCCVEGCSA-N -1 1 355.825 4.253 20 0 FIADMM COc1cc(C(=O)N(C)[C@@H](C)CSc2ccccc2)cc(Cl)c1[O-] ZINC000652624139 1086310173 /nfs/dbraw/zinc/31/01/73/1086310173.db2.gz BBOQQCHMFZFTJJ-LBPRGKRZSA-N -1 1 365.882 4.307 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(C(C)C)c2)c1OC ZINC000663260391 1086340155 /nfs/dbraw/zinc/34/01/55/1086340155.db2.gz SQTBXRPQIGRISV-GOSISDBHSA-N -1 1 357.450 4.133 20 0 FIADMM CC(C)Cc1ncc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000663261628 1086343119 /nfs/dbraw/zinc/34/31/19/1086343119.db2.gz MMIZXOFJLVYBSZ-HNNXBMFYSA-N -1 1 372.412 4.276 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000184855229 1086362746 /nfs/dbraw/zinc/36/27/46/1086362746.db2.gz OYOHWXXHKQOBFR-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM C[C@H]1COCC[C@@H]1c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000583242170 1086456622 /nfs/dbraw/zinc/45/66/22/1086456622.db2.gz DKXJXFRTIOCQHZ-BBRMVZONSA-N -1 1 352.390 4.375 20 0 FIADMM O=C([O-])CCN(Cc1cccc(F)c1F)C[C@@H]1CCC2(CCCCC2)O1 ZINC000583268512 1086498094 /nfs/dbraw/zinc/49/80/94/1086498094.db2.gz RDMKZMPGHLYABU-INIZCTEOSA-N -1 1 367.436 4.123 20 0 FIADMM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cc(Cl)sc1Cl ZINC000511975655 1086498803 /nfs/dbraw/zinc/49/88/03/1086498803.db2.gz YZOPSHSTQZISQB-JTQLQIEISA-N -1 1 366.266 4.160 20 0 FIADMM C[C@@H]1CCC[C@H](C)N(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000176613385 1086508281 /nfs/dbraw/zinc/50/82/81/1086508281.db2.gz GXHZEOQNFQWBSL-OLZOCXBDSA-N -1 1 364.540 4.096 20 0 FIADMM Cc1cccc2c1CCC[C@H]2NC(=O)c1cc(Br)ccc1[O-] ZINC001167823750 1086603148 /nfs/dbraw/zinc/60/31/48/1086603148.db2.gz OUIKIVJZLUAENA-MRXNPFEDSA-N -1 1 360.251 4.271 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000583467666 1086714463 /nfs/dbraw/zinc/71/44/63/1086714463.db2.gz MGCYDICSNJGXCE-NRFANRHFSA-N -1 1 357.400 4.181 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c1 ZINC000448127206 1086957899 /nfs/dbraw/zinc/95/78/99/1086957899.db2.gz GMYCBCIJLWQTGS-UHFFFAOYSA-N -1 1 361.463 4.257 20 0 FIADMM CCc1nc2cc(S(=O)(=O)[N-]c3c(CC)cccc3CC)ccc2o1 ZINC000545187358 1087119334 /nfs/dbraw/zinc/11/93/34/1087119334.db2.gz BLUMJIAMIYDSLP-UHFFFAOYSA-N -1 1 358.463 4.316 20 0 FIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000584086030 1087166050 /nfs/dbraw/zinc/16/60/50/1087166050.db2.gz NXRBLIRGIZWDIH-UHFFFAOYSA-N -1 1 357.475 4.438 20 0 FIADMM CCCCOc1ccc(Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1F ZINC001211613044 1087242858 /nfs/dbraw/zinc/24/28/58/1087242858.db2.gz SZNGGPKNBNAEDY-UHFFFAOYSA-N -1 1 367.442 4.247 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(Cl)c(Cl)c1 ZINC000107064026 1087466394 /nfs/dbraw/zinc/46/63/94/1087466394.db2.gz OSTJSSCRACMNOX-UHFFFAOYSA-N -1 1 369.229 4.449 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1ccc2ccccc2c1 ZINC000106985900 1087466417 /nfs/dbraw/zinc/46/64/17/1087466417.db2.gz VJIUYHVHSDTUEC-UHFFFAOYSA-N -1 1 367.455 4.159 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000139811809 1087477321 /nfs/dbraw/zinc/47/73/21/1087477321.db2.gz RGDDXSGCAHJJCI-UHFFFAOYSA-N -1 1 374.437 4.100 20 0 FIADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000171201586 1087517156 /nfs/dbraw/zinc/51/71/56/1087517156.db2.gz QVKODRMUBPDKGS-UHFFFAOYSA-N -1 1 374.400 4.027 20 0 FIADMM COc1ccc2oc([C@H](C)NC(=O)c3c(F)ccc([O-])c3F)c(C)c2c1 ZINC000685433432 1087566898 /nfs/dbraw/zinc/56/68/98/1087566898.db2.gz ZTCATFWAFAGTRD-JTQLQIEISA-N -1 1 361.344 4.225 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000685435032 1087567417 /nfs/dbraw/zinc/56/74/17/1087567417.db2.gz ZBAFDDYMFDFPTG-UHFFFAOYSA-N -1 1 374.362 4.311 20 0 FIADMM Cc1ccc(F)c(NC(=S)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000065701802 1087587529 /nfs/dbraw/zinc/58/75/29/1087587529.db2.gz VMEQOIZHSYMZCE-UHFFFAOYSA-N -1 1 372.465 4.131 20 0 FIADMM C[C@H](Cc1nnc(SCC(=O)c2ccc([O-])cc2)o1)c1ccccc1 ZINC000024074338 1087602389 /nfs/dbraw/zinc/60/23/89/1087602389.db2.gz TUJRPAVKHMZBHP-CYBMUJFWSA-N -1 1 354.431 4.096 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2nc(-c3cccc(Cl)c3)no2)[n-]1 ZINC000685574871 1087633147 /nfs/dbraw/zinc/63/31/47/1087633147.db2.gz JSHONEWHDQKOPG-UHFFFAOYSA-N -1 1 370.768 4.116 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(OC(F)F)c2)cc(Cl)c1[O-] ZINC000186624946 1087951872 /nfs/dbraw/zinc/95/18/72/1087951872.db2.gz RTAWQAYLYLDBEF-UHFFFAOYSA-N -1 1 357.740 4.298 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000176455773 1087965989 /nfs/dbraw/zinc/96/59/89/1087965989.db2.gz ONIORUCHVQUQSJ-UHFFFAOYSA-N -1 1 371.458 4.360 20 0 FIADMM CCOc1cc(C(=O)N[C@H](CC)c2nc(C)cs2)cc(Cl)c1[O-] ZINC000186785097 1087989060 /nfs/dbraw/zinc/98/90/60/1087989060.db2.gz YXDBSMAXHWDGHL-GFCCVEGCSA-N -1 1 354.859 4.090 20 0 FIADMM CCOc1cc(C(=O)N2CCc3c([nH]c4ccccc43)C2)cc(Cl)c1[O-] ZINC000186971983 1088056272 /nfs/dbraw/zinc/05/62/72/1088056272.db2.gz BISOECOBVCTSNG-UHFFFAOYSA-N -1 1 370.836 4.124 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)cc1 ZINC000414382959 1088070723 /nfs/dbraw/zinc/07/07/23/1088070723.db2.gz QFZWUZGCTREABB-UHFFFAOYSA-N -1 1 361.463 4.271 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ncoc1-c1ccccc1 ZINC000134482333 1088082567 /nfs/dbraw/zinc/08/25/67/1088082567.db2.gz XQQIMEGDHPQJIT-CMDGGOBGSA-N -1 1 364.386 4.209 20 0 FIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000468524624 1088227939 /nfs/dbraw/zinc/22/79/39/1088227939.db2.gz XEFBGAMDEPFVEB-UHFFFAOYSA-N -1 1 359.476 4.129 20 0 FIADMM CC(C)CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025349143 1088305317 /nfs/dbraw/zinc/30/53/17/1088305317.db2.gz KSEYBUDTBPAVHR-INIZCTEOSA-N -1 1 374.506 4.042 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1 ZINC000513818911 1088414340 /nfs/dbraw/zinc/41/43/40/1088414340.db2.gz MISHLEIBXOIKBM-UHFFFAOYSA-N -1 1 372.446 4.177 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1 ZINC000513819148 1088415406 /nfs/dbraw/zinc/41/54/06/1088415406.db2.gz QQOLEVLHIUSPHG-UHFFFAOYSA-N -1 1 356.447 4.440 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000180724322 1088780015 /nfs/dbraw/zinc/78/00/15/1088780015.db2.gz GWWVRPLGUJMBDA-OAHLLOKOSA-N -1 1 364.367 4.128 20 0 FIADMM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc([O-])cc1F ZINC000182017755 1088880858 /nfs/dbraw/zinc/88/08/58/1088880858.db2.gz BIPZXFCUHOHAKI-UHFFFAOYSA-N -1 1 372.783 4.411 20 0 FIADMM CC(C)CCn1nc(CNCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000414636174 1088912748 /nfs/dbraw/zinc/91/27/48/1088912748.db2.gz JSPOTSHUAOWJCF-UHFFFAOYSA-N -1 1 351.450 4.070 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c2ccccc12 ZINC000613666782 1089261868 /nfs/dbraw/zinc/26/18/68/1089261868.db2.gz GDELGRDSVIWDSX-UHFFFAOYSA-N -1 1 359.385 4.196 20 0 FIADMM COc1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1Cl ZINC000613668199 1089271491 /nfs/dbraw/zinc/27/14/91/1089271491.db2.gz ZDWXFWDZCVMXIP-UHFFFAOYSA-N -1 1 371.824 4.016 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000613668002 1089279665 /nfs/dbraw/zinc/27/96/65/1089279665.db2.gz MQMFKSMJLYYYDH-UHFFFAOYSA-N -1 1 372.428 4.395 20 0 FIADMM O=C(Nc1cc([O-])c(F)cc1F)c1csc(Cc2ccccc2F)n1 ZINC001625893710 1089963500 /nfs/dbraw/zinc/96/35/00/1089963500.db2.gz KQRLVMRTQYZKED-UHFFFAOYSA-N -1 1 364.348 4.109 20 0 FIADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435906165 1089997150 /nfs/dbraw/zinc/99/71/50/1089997150.db2.gz JBFKVQMXWIJVSP-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nc(-c3cccs3)ns2)n1 ZINC000182123340 1090054807 /nfs/dbraw/zinc/05/48/07/1090054807.db2.gz IZEHSNNSLPHKTA-UHFFFAOYSA-N -1 1 365.871 4.086 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1csc(-c2ccoc2)n1 ZINC000182147157 1090055590 /nfs/dbraw/zinc/05/55/90/1090055590.db2.gz NWUKHZJIJNWXIZ-UHFFFAOYSA-N -1 1 360.445 4.235 20 0 FIADMM O=C(C/C=C/c1ccc(F)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000378159770 1090177992 /nfs/dbraw/zinc/17/79/92/1090177992.db2.gz PAPYDXCYDYOWHG-OWOJBTEDSA-N -1 1 367.420 4.056 20 0 FIADMM O=S(=O)([N-]c1ccc(O)cc1F)c1c(Cl)cc(Cl)cc1Cl ZINC000184618865 1090470982 /nfs/dbraw/zinc/47/09/82/1090470982.db2.gz TYAZKGOFYCUGRT-UHFFFAOYSA-N -1 1 370.616 4.292 20 0 FIADMM Cc1ccc(F)c(Br)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625896367 1090714834 /nfs/dbraw/zinc/71/48/34/1090714834.db2.gz KCLHTYAFTGNWCB-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM COc1ccc2nc(CN[C@H](CCC(=O)[O-])c3ccccc3)sc2c1 ZINC000417590569 1090934381 /nfs/dbraw/zinc/93/43/81/1090934381.db2.gz BYOLGUUQVTVATQ-OAHLLOKOSA-N -1 1 356.447 4.001 20 0 FIADMM Cc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(Br)c1 ZINC000417617767 1090940255 /nfs/dbraw/zinc/94/02/55/1090940255.db2.gz CLUZHGGYBQSQOO-DOTOQJQBSA-N -1 1 360.251 4.160 20 0 FIADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])[C@@H]3CCOC4(CCC4)C3)o2)cc1 ZINC000417640332 1090951836 /nfs/dbraw/zinc/95/18/36/1090951836.db2.gz XMRBGWSCKMXXHP-YLJYHZDGSA-N -1 1 369.461 4.147 20 0 FIADMM O=C([O-])c1c(F)cc(CNCc2cccc(OC3CCCC3)c2)cc1F ZINC000417652214 1090955271 /nfs/dbraw/zinc/95/52/71/1090955271.db2.gz YVSXYUBIUPWWLC-UHFFFAOYSA-N -1 1 361.388 4.274 20 0 FIADMM COc1ccc2cc(CNCc3ccc(C(=O)[O-])c(C4CC4)n3)ccc2c1 ZINC000417711421 1090968813 /nfs/dbraw/zinc/96/88/13/1090968813.db2.gz VLDZRKUJMCIVAK-UHFFFAOYSA-N -1 1 362.429 4.109 20 0 FIADMM CC(C)(C)NC(=O)c1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190962384 1091041599 /nfs/dbraw/zinc/04/15/99/1091041599.db2.gz WQYPGZXUFSKMMH-UHFFFAOYSA-N -1 1 361.829 4.218 20 0 FIADMM Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122053 1091269745 /nfs/dbraw/zinc/26/97/45/1091269745.db2.gz XJNXASAGQSSVQB-FFSVYQOJSA-N -1 1 362.857 4.407 20 0 FIADMM O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC001625902240 1091675722 /nfs/dbraw/zinc/67/57/22/1091675722.db2.gz RDCCDQYZQAMPMS-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1cccc(Cl)c1 ZINC000047417297 1091713590 /nfs/dbraw/zinc/71/35/90/1091713590.db2.gz KEYLBCRKEBULRV-UHFFFAOYSA-N -1 1 350.852 4.264 20 0 FIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432649647 1092030494 /nfs/dbraw/zinc/03/04/94/1092030494.db2.gz SXCQUHBYSMGXKS-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM COC(=O)c1c[n-]c(SCc2ccc(OCc3ccccc3)cc2)n1 ZINC000432664891 1092038778 /nfs/dbraw/zinc/03/87/78/1092038778.db2.gz BYXYOCKFYYLVGQ-UHFFFAOYSA-N -1 1 354.431 4.068 20 0 FIADMM CC1(C)CC(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000428168906 1092220778 /nfs/dbraw/zinc/22/07/78/1092220778.db2.gz DBNICISELYEHIT-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)c2ccccc12 ZINC000182396644 1092284823 /nfs/dbraw/zinc/28/48/23/1092284823.db2.gz XNPNUKBZUVXIOI-UHFFFAOYSA-N -1 1 372.421 4.047 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442216004 1092507822 /nfs/dbraw/zinc/50/78/22/1092507822.db2.gz GDENYNIBHUDHPY-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccccc1-c1ccno1 ZINC000442236662 1092528919 /nfs/dbraw/zinc/52/89/19/1092528919.db2.gz MSSWVWAKMFNPCD-UHFFFAOYSA-N -1 1 370.764 4.074 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3ccc(Cl)cc3Cl)[nH][n-]2)s1 ZINC000500805387 1092590209 /nfs/dbraw/zinc/59/02/09/1092590209.db2.gz XFFSTVCVCLSILJ-UHFFFAOYSA-N -1 1 352.246 4.428 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)ccc1F ZINC000521537741 1092752068 /nfs/dbraw/zinc/75/20/68/1092752068.db2.gz HDVCFOMMLPHXHW-UHFFFAOYSA-N -1 1 362.451 4.422 20 0 FIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cc(F)ccc1Cl ZINC000110122502 1092763131 /nfs/dbraw/zinc/76/31/31/1092763131.db2.gz WEROBAHMEMDYHI-UHFFFAOYSA-N -1 1 372.824 4.019 20 0 FIADMM COCCCOc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1 ZINC000473446497 1092874631 /nfs/dbraw/zinc/87/46/31/1092874631.db2.gz CDTHDQLYMOGUTC-UHFFFAOYSA-N -1 1 370.474 4.358 20 0 FIADMM COc1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000442940681 1092876848 /nfs/dbraw/zinc/87/68/48/1092876848.db2.gz CTKIAIDCZNIYQP-KRWDZBQOSA-N -1 1 357.837 4.346 20 0 FIADMM COc1cc(C(=O)Nc2ccnc(-c3ccccc3)c2)cc(Cl)c1[O-] ZINC000442962092 1092889029 /nfs/dbraw/zinc/88/90/29/1092889029.db2.gz BUHQSXDVOUKNOE-UHFFFAOYSA-N -1 1 354.793 4.369 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc(Cl)c1[O-] ZINC000442969135 1092895959 /nfs/dbraw/zinc/89/59/59/1092895959.db2.gz UDNFVURBPOZZAY-GFCCVEGCSA-N -1 1 366.244 4.337 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000443279608 1093030997 /nfs/dbraw/zinc/03/09/97/1093030997.db2.gz GQWPFPBVXPQWLF-OAHLLOKOSA-N -1 1 363.816 4.041 20 0 FIADMM COc1cc(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000443283483 1093032816 /nfs/dbraw/zinc/03/28/16/1093032816.db2.gz KHHWXLJYVKTNPS-UHFFFAOYSA-N -1 1 361.869 4.412 20 0 FIADMM COc1cc(C(=O)Nc2cc(C)c(C)c3ncccc23)cc(Cl)c1[O-] ZINC000443297933 1093034561 /nfs/dbraw/zinc/03/45/61/1093034561.db2.gz OTEGJMREDMORIC-UHFFFAOYSA-N -1 1 356.809 4.472 20 0 FIADMM COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc(Cl)c1[O-] ZINC000443303054 1093041918 /nfs/dbraw/zinc/04/19/18/1093041918.db2.gz QTHKYVIFFLAMNR-KOLCDFICSA-N -1 1 365.779 4.153 20 0 FIADMM CCc1c(C)[n-]n(-c2nc(C)nc3sc(-c4ccccc4)cc32)c1=O ZINC000614185454 1093094826 /nfs/dbraw/zinc/09/48/26/1093094826.db2.gz MLLXWKVKGQFYGZ-AWEZNQCLSA-N -1 1 350.447 4.415 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c1 ZINC000443409263 1093100178 /nfs/dbraw/zinc/10/01/78/1093100178.db2.gz WSGCUUJSQFOQSN-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(F)ccc3C)c2)n1 ZINC000443401585 1093104833 /nfs/dbraw/zinc/10/48/33/1093104833.db2.gz VCYHBONPGTXXEQ-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c(C)c(OC)c1 ZINC000443418755 1093112357 /nfs/dbraw/zinc/11/23/57/1093112357.db2.gz OKJHFUOWQICHQD-UHFFFAOYSA-N -1 1 363.479 4.111 20 0 FIADMM C[C@@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)c2ccccc21 ZINC000126947131 1093133373 /nfs/dbraw/zinc/13/33/73/1093133373.db2.gz ZVUQHHNUQFHLHD-GFCCVEGCSA-N -1 1 370.503 4.210 20 0 FIADMM CCCCCCCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000137588517 1093157363 /nfs/dbraw/zinc/15/73/63/1093157363.db2.gz JMNGCDLEMBSVCP-BGVYSJOJSA-N -1 1 370.445 4.264 20 0 FIADMM COc1ccc(Nc2cc(Br)cc(Cl)c2[O-])c(CO)c1 ZINC001211754215 1093176406 /nfs/dbraw/zinc/17/64/06/1093176406.db2.gz GSMJHMXWHXMPII-UHFFFAOYSA-N -1 1 358.619 4.053 20 0 FIADMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000512758268 1093277529 /nfs/dbraw/zinc/27/75/29/1093277529.db2.gz AZVUOPYLXOCKPR-MRVPVSSYSA-N -1 1 368.282 4.276 20 0 FIADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC001211773854 1093288395 /nfs/dbraw/zinc/28/83/95/1093288395.db2.gz XJACHGUYEFIGLC-CQSZACIVSA-N -1 1 373.852 4.336 20 0 FIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000512834525 1093413202 /nfs/dbraw/zinc/41/32/02/1093413202.db2.gz QOYMGHFHDHWVAF-ZDUSSCGKSA-N -1 1 374.437 4.352 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429909379 1093486679 /nfs/dbraw/zinc/48/66/79/1093486679.db2.gz JXEWAXFLLYBTCS-SNVBAGLBSA-N -1 1 363.813 4.108 20 0 FIADMM Cc1ccc(C2=CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)cc1 ZINC000895470033 1093559900 /nfs/dbraw/zinc/55/99/00/1093559900.db2.gz GSNGXLIFPPISJE-UHFFFAOYSA-N -1 1 365.477 4.026 20 0 FIADMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2C1 ZINC000512944280 1093584369 /nfs/dbraw/zinc/58/43/69/1093584369.db2.gz AGQNVKVZZDYYJZ-UHFFFAOYSA-N -1 1 364.898 4.112 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000474318404 1093674690 /nfs/dbraw/zinc/67/46/90/1093674690.db2.gz ZBYKAMGKDXRXQS-MRXNPFEDSA-N -1 1 367.493 4.331 20 0 FIADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(C(F)(F)F)cc1 ZINC000216128119 1093704435 /nfs/dbraw/zinc/70/44/35/1093704435.db2.gz KVSHTAISAVJUQK-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000433519954 1093867460 /nfs/dbraw/zinc/86/74/60/1093867460.db2.gz NITQNPKCKGAQIC-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1C(F)(F)F ZINC000010514290 1093872299 /nfs/dbraw/zinc/87/22/99/1093872299.db2.gz MVSAYBXCEKZLMW-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM O=C([N-]c1c(F)cc(F)cc1F)c1csc(-c2ncccc2F)n1 ZINC000513153030 1093911307 /nfs/dbraw/zinc/91/13/07/1093911307.db2.gz HNLMWNKGRHGXPO-UHFFFAOYSA-N -1 1 353.300 4.014 20 0 FIADMM COc1ccccc1SC[C@@H](C)CNC(=O)c1c([O-])cccc1Cl ZINC000728981629 1093914401 /nfs/dbraw/zinc/91/44/01/1093914401.db2.gz UDSILVWVZFQIRR-LBPRGKRZSA-N -1 1 365.882 4.212 20 0 FIADMM Cc1ccc(C(F)(F)F)cc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167935759 1093933616 /nfs/dbraw/zinc/93/36/16/1093933616.db2.gz CFRFTVBNVRWHMY-UHFFFAOYSA-N -1 1 371.295 4.099 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000433610817 1094020272 /nfs/dbraw/zinc/02/02/72/1094020272.db2.gz VPJCKHGFPBYYPU-UHFFFAOYSA-N -1 1 357.353 4.099 20 0 FIADMM CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000047651031 1094102773 /nfs/dbraw/zinc/10/27/73/1094102773.db2.gz UEADZOHUDYPGBB-UHFFFAOYSA-N -1 1 364.854 4.046 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)co1 ZINC000026540399 1094274421 /nfs/dbraw/zinc/27/44/21/1094274421.db2.gz ICRCTLMVMVBSLB-UHFFFAOYSA-N -1 1 368.458 4.330 20 0 FIADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000097574475 1094324555 /nfs/dbraw/zinc/32/45/55/1094324555.db2.gz GGSJTOWKIAPDPO-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000098022730 1094551258 /nfs/dbraw/zinc/55/12/58/1094551258.db2.gz YOLIGWCWHQCOKF-FQEVSTJZSA-N -1 1 369.424 4.054 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(C)c1 ZINC000501843457 1094957554 /nfs/dbraw/zinc/95/75/54/1094957554.db2.gz QVYPBFXMEPXKHP-UHFFFAOYSA-N -1 1 372.446 4.213 20 0 FIADMM CCn1c2ccccc2nc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000006972444 1095488172 /nfs/dbraw/zinc/48/81/72/1095488172.db2.gz OYRABUNUXZXXPD-UHFFFAOYSA-N -1 1 352.415 4.161 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000502465846 1095494047 /nfs/dbraw/zinc/49/40/47/1095494047.db2.gz RXVOUXPKMLLJJF-UHFFFAOYSA-N -1 1 371.796 4.263 20 0 FIADMM COc1cc(-c2noc([C@@H]3C[C@]3(C)C(C)C)n2)cc(Br)c1[O-] ZINC000436874434 1095815557 /nfs/dbraw/zinc/81/55/57/1095815557.db2.gz QJQHOIGNNZVVHN-MGPLVRAMSA-N -1 1 367.243 4.363 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000421969617 1096026682 /nfs/dbraw/zinc/02/66/82/1096026682.db2.gz RZZVTSXKGFRLLT-SECBINFHSA-N -1 1 355.278 4.216 20 0 FIADMM CCCc1cc(=O)[n-]c(SCc2cccc(C(=O)N3CCCCC3)c2)n1 ZINC000515598849 1098748011 /nfs/dbraw/zinc/74/80/11/1098748011.db2.gz FVVAUFRHKMLPEP-UHFFFAOYSA-N -1 1 371.506 4.053 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c2cccnc12 ZINC000515615242 1098766083 /nfs/dbraw/zinc/76/60/83/1098766083.db2.gz ORRNCLATZLXPFL-UHFFFAOYSA-N -1 1 362.838 4.006 20 0 FIADMM CCc1cc(=O)[n-]c(SCC2(COc3cccc(COC)c3)CCC2)n1 ZINC000436205436 1098812924 /nfs/dbraw/zinc/81/29/24/1098812924.db2.gz CYDFBULADRBBBJ-UHFFFAOYSA-N -1 1 374.506 4.232 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000436500912 1099061684 /nfs/dbraw/zinc/06/16/84/1099061684.db2.gz ADCKOVNUTLGJQB-UHFFFAOYSA-N -1 1 353.399 4.160 20 0 FIADMM CCCN(C(=O)c1cc(Cl)ccc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436511504 1099071935 /nfs/dbraw/zinc/07/19/35/1099071935.db2.gz IOWWWAIWLYWTFZ-CQSZACIVSA-N -1 1 374.868 4.315 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(-c2cccc(Cl)c2)on1 ZINC000515986181 1099086760 /nfs/dbraw/zinc/08/67/60/1099086760.db2.gz YUNBOJLPVIHXAU-UHFFFAOYSA-N -1 1 370.821 4.121 20 0 FIADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000436547045 1099094976 /nfs/dbraw/zinc/09/49/76/1099094976.db2.gz PWAXEXBQMGXGHX-HXUWFJFHSA-N -1 1 360.457 4.286 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(F)cc3F)no2)cc(Cl)c1[O-] ZINC000436539662 1099103891 /nfs/dbraw/zinc/10/38/91/1099103891.db2.gz ZITQYEDQPXBICI-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436564388 1099117423 /nfs/dbraw/zinc/11/74/23/1099117423.db2.gz OKZJJVIJDSOFLV-UHFFFAOYSA-N -1 1 355.438 4.298 20 0 FIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436567776 1099118766 /nfs/dbraw/zinc/11/87/66/1099118766.db2.gz YHLRIRHRDMKLPP-UHFFFAOYSA-N -1 1 364.376 4.344 20 0 FIADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000436588864 1099135396 /nfs/dbraw/zinc/13/53/96/1099135396.db2.gz IXGYTMWGIKYOFV-LHSJRXKWSA-N -1 1 365.404 4.287 20 0 FIADMM CC(C)(CO)[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436601108 1099139008 /nfs/dbraw/zinc/13/90/08/1099139008.db2.gz BKAWFAROELOLRK-FQEVSTJZSA-N -1 1 363.457 4.078 20 0 FIADMM Cc1nc(NC(=O)c2ccc([O-])cc2F)sc1Cc1cccc(C)c1 ZINC000436606911 1099140825 /nfs/dbraw/zinc/14/08/25/1099140825.db2.gz RGQWLFVOIUWYMA-UHFFFAOYSA-N -1 1 356.422 4.448 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccccc1Cl ZINC000436622281 1099169761 /nfs/dbraw/zinc/16/97/61/1099169761.db2.gz DAICBGFBCVVMFZ-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccc([O-])cc1F ZINC000436652968 1099175391 /nfs/dbraw/zinc/17/53/91/1099175391.db2.gz RWDYCAPJNSWKNR-HNNXBMFYSA-N -1 1 352.287 4.046 20 0 FIADMM C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436655448 1099179479 /nfs/dbraw/zinc/17/94/79/1099179479.db2.gz CGZGRSGBHRMXSR-HNNXBMFYSA-N -1 1 366.486 4.126 20 0 FIADMM COc1cc(F)c([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000436646959 1099187500 /nfs/dbraw/zinc/18/75/00/1099187500.db2.gz ICTKHYJPPPGHLY-GFCCVEGCSA-N -1 1 369.392 4.193 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000436674296 1099205720 /nfs/dbraw/zinc/20/57/20/1099205720.db2.gz RIHBUQNNYPBYNS-LJQANCHMSA-N -1 1 365.816 4.134 20 0 FIADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1cc(F)cc(Br)c1 ZINC000436679734 1099212644 /nfs/dbraw/zinc/21/26/44/1099212644.db2.gz HBRZVNGYHGJVIW-HNNXBMFYSA-N -1 1 370.193 4.314 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)c([O-])c1 ZINC000436678153 1099213491 /nfs/dbraw/zinc/21/34/91/1099213491.db2.gz BGFJWGZKHCFZLZ-UHFFFAOYSA-N -1 1 354.259 4.276 20 0 FIADMM CCc1cc(=O)c2cc(NC(=O)c3ccc(C(C)C)cc3[O-])ccc2[nH]1 ZINC000436680681 1099214864 /nfs/dbraw/zinc/21/48/64/1099214864.db2.gz PEEMACWFRUAJLK-UHFFFAOYSA-N -1 1 350.418 4.172 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000436682848 1099216291 /nfs/dbraw/zinc/21/62/91/1099216291.db2.gz RJSDOGUZEKZRLG-HXUWFJFHSA-N -1 1 367.832 4.413 20 0 FIADMM CCOc1ccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cc1F ZINC000436686544 1099220728 /nfs/dbraw/zinc/22/07/28/1099220728.db2.gz HUOHCPQFLKJHGD-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM COc1ccc(CC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000436717107 1099246510 /nfs/dbraw/zinc/24/65/10/1099246510.db2.gz DXXUSYJVAMYPGA-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000436760150 1099273154 /nfs/dbraw/zinc/27/31/54/1099273154.db2.gz MUYLAOMLWNMLFP-UHFFFAOYSA-N -1 1 360.388 4.364 20 0 FIADMM O=C(Nc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436760055 1099274149 /nfs/dbraw/zinc/27/41/49/1099274149.db2.gz LERKQRNIJFXDCM-UHFFFAOYSA-N -1 1 374.755 4.282 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000436751920 1099287072 /nfs/dbraw/zinc/28/70/72/1099287072.db2.gz OPGUNIVIVLUACN-OAHLLOKOSA-N -1 1 367.342 4.397 20 0 FIADMM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436752855 1099288686 /nfs/dbraw/zinc/28/86/86/1099288686.db2.gz YXTFCBQXHREGNI-UHFFFAOYSA-N -1 1 360.262 4.431 20 0 FIADMM COC1(CNC(=O)c2ccc([O-])cc2F)CCC(c2ccccc2)CC1 ZINC000436772815 1099293781 /nfs/dbraw/zinc/29/37/81/1099293781.db2.gz MPJDMPGHRPGFJL-UHFFFAOYSA-N -1 1 357.425 4.004 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000436764879 1099303591 /nfs/dbraw/zinc/30/35/91/1099303591.db2.gz URQUJMAMIABKIT-LBPRGKRZSA-N -1 1 353.315 4.180 20 0 FIADMM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436765183 1099304062 /nfs/dbraw/zinc/30/40/62/1099304062.db2.gz VXAVXQHKECMXRV-INIZCTEOSA-N -1 1 365.351 4.397 20 0 FIADMM CC(=O)Nc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1Cl ZINC000436763349 1099304316 /nfs/dbraw/zinc/30/43/16/1099304316.db2.gz KDXFUMMLSAAJMS-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000436811685 1099337793 /nfs/dbraw/zinc/33/77/93/1099337793.db2.gz BSHZCKSQRFYWHD-CQSZACIVSA-N -1 1 353.368 4.453 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000436833499 1099344625 /nfs/dbraw/zinc/34/46/25/1099344625.db2.gz MGJGQICYKSIVIE-GFCCVEGCSA-N -1 1 370.243 4.333 20 0 FIADMM COCCC[C@H](CNC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000436819437 1099347606 /nfs/dbraw/zinc/34/76/06/1099347606.db2.gz NLMHPYYSVDWMPH-CQSZACIVSA-N -1 1 365.832 4.125 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000436839637 1099358232 /nfs/dbraw/zinc/35/82/32/1099358232.db2.gz OQGZIWRDEGTEKN-OAHLLOKOSA-N -1 1 374.440 4.163 20 0 FIADMM CC(C)n1c(CNC(=O)c2cc3ccccc3cc2[O-])nc2ccccc21 ZINC000436844105 1099361656 /nfs/dbraw/zinc/36/16/56/1099361656.db2.gz LXNXYPFXRNFZBP-UHFFFAOYSA-N -1 1 359.429 4.406 20 0 FIADMM Cc1cccn2cc(-c3ccc(NC(=O)c4ccc([O-])cc4F)cc3)nc12 ZINC000436868488 1099379487 /nfs/dbraw/zinc/37/94/87/1099379487.db2.gz HOIPASNCWIMOLO-UHFFFAOYSA-N -1 1 361.376 4.407 20 0 FIADMM COc1ccc(OC)c([C@H]2C[C@H]2c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436870773 1099381443 /nfs/dbraw/zinc/38/14/43/1099381443.db2.gz IJSANBCQCQDBJV-UKRRQHHQSA-N -1 1 372.808 4.384 20 0 FIADMM Cc1cn(-c2c(F)cccc2F)nc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436873634 1099386081 /nfs/dbraw/zinc/38/60/81/1099386081.db2.gz NTRKGIMMQQMMMG-UHFFFAOYSA-N -1 1 372.306 4.021 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000629371922 1099387032 /nfs/dbraw/zinc/38/70/32/1099387032.db2.gz ADUYLIQKWMJYRH-UMVBOHGHSA-N -1 1 372.690 4.178 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1F ZINC000436874426 1099387582 /nfs/dbraw/zinc/38/75/82/1099387582.db2.gz QIPHVOJEIHNVJJ-VHSXEESVSA-N -1 1 350.271 4.270 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H]3CCC[C@@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436874605 1099388267 /nfs/dbraw/zinc/38/82/67/1099388267.db2.gz AILBONKRCWRTGA-DGCLKSJQSA-N -1 1 366.845 4.242 20 0 FIADMM CSc1ccc(C)c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436909315 1099417030 /nfs/dbraw/zinc/41/70/30/1099417030.db2.gz ADVAZMXLNGSKGT-UHFFFAOYSA-N -1 1 374.853 4.113 20 0 FIADMM CSc1ccc(C)c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC000436909315 1099417032 /nfs/dbraw/zinc/41/70/32/1099417032.db2.gz ADVAZMXLNGSKGT-UHFFFAOYSA-N -1 1 374.853 4.113 20 0 FIADMM COc1ccc(C(=O)Nc2cccc(CSc3ccccn3)c2)c([O-])c1 ZINC000436915230 1099430148 /nfs/dbraw/zinc/43/01/48/1099430148.db2.gz PHPIUBVXLCCTJP-UHFFFAOYSA-N -1 1 366.442 4.340 20 0 FIADMM CCC[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436917063 1099433603 /nfs/dbraw/zinc/43/36/03/1099433603.db2.gz YJMOZCSWIACQOT-CQSZACIVSA-N -1 1 370.840 4.353 20 0 FIADMM CCC[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1 ZINC000436917063 1099433607 /nfs/dbraw/zinc/43/36/07/1099433607.db2.gz YJMOZCSWIACQOT-CQSZACIVSA-N -1 1 370.840 4.353 20 0 FIADMM Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1NC(=O)N(C)C ZINC000436925534 1099439554 /nfs/dbraw/zinc/43/95/54/1099439554.db2.gz GTAIXJQTIOASBO-UHFFFAOYSA-N -1 1 363.417 4.200 20 0 FIADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436943814 1099454519 /nfs/dbraw/zinc/45/45/19/1099454519.db2.gz HFPDEGLQYAJYKX-KBPBESRZSA-N -1 1 374.278 4.481 20 0 FIADMM CN(CCc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436952692 1099469582 /nfs/dbraw/zinc/46/95/82/1099469582.db2.gz XURLOWVJABGAOY-UHFFFAOYSA-N -1 1 368.658 4.123 20 0 FIADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000437008047 1099511935 /nfs/dbraw/zinc/51/19/35/1099511935.db2.gz ZHPIBGWVUFVLHW-JTQLQIEISA-N -1 1 352.217 4.101 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 ZINC000437001468 1099521412 /nfs/dbraw/zinc/52/14/12/1099521412.db2.gz PJHXEOOKQCHSDL-UHFFFAOYSA-N -1 1 364.188 4.374 20 0 FIADMM CC1(C)CCC[C@@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000476003222 1099609613 /nfs/dbraw/zinc/60/96/13/1099609613.db2.gz XUUKCAQWADOIKH-GOSISDBHSA-N -1 1 372.490 4.252 20 0 FIADMM CCCC[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000262714257 1099733615 /nfs/dbraw/zinc/73/36/15/1099733615.db2.gz RBJSTCBKMVFMGT-HNNXBMFYSA-N -1 1 366.255 4.442 20 0 FIADMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(OC(F)F)c1 ZINC000263407076 1099788146 /nfs/dbraw/zinc/78/81/46/1099788146.db2.gz KGNWGYGBDGJOBV-UHFFFAOYSA-N -1 1 365.376 4.065 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccc(C(F)F)cc1 ZINC000572418474 1099834260 /nfs/dbraw/zinc/83/42/60/1099834260.db2.gz GJLRCWTYQZAUKS-UHFFFAOYSA-N -1 1 360.385 4.487 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC000437398464 1099889254 /nfs/dbraw/zinc/88/92/54/1099889254.db2.gz WUIDVUXIKLNEPU-UHFFFAOYSA-N -1 1 373.522 4.170 20 0 FIADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000517036034 1099997829 /nfs/dbraw/zinc/99/78/29/1099997829.db2.gz XXTFKBWYXKEUHE-YLVFBTJISA-N -1 1 372.292 4.256 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(C(C)(C)C)on3)n2)cc(Cl)c1[O-] ZINC000445408469 1100128318 /nfs/dbraw/zinc/12/83/18/1100128318.db2.gz GLAPGMHDMAYITL-UHFFFAOYSA-N -1 1 363.801 4.447 20 0 FIADMM CCOc1cc(-c2noc(CCc3ccc(F)cc3)n2)cc(Cl)c1[O-] ZINC000445412839 1100321096 /nfs/dbraw/zinc/32/10/96/1100321096.db2.gz QKONDJHDMCNUGJ-UHFFFAOYSA-N -1 1 362.788 4.419 20 0 FIADMM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cc(Cl)sc1Cl ZINC000506224765 1100644330 /nfs/dbraw/zinc/64/43/30/1100644330.db2.gz QLUJYNVRZCJRSP-UHFFFAOYSA-N -1 1 362.303 4.413 20 0 FIADMM Cc1cnc(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)[n-]c1=O ZINC000517759507 1100645048 /nfs/dbraw/zinc/64/50/48/1100645048.db2.gz OBXULSFPCOUNDN-OAHLLOKOSA-N -1 1 350.871 4.404 20 0 FIADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(Cl)c(Cl)c1 ZINC000509552982 1100938726 /nfs/dbraw/zinc/93/87/26/1100938726.db2.gz GFFQCGBHPNIBMH-UHFFFAOYSA-N -1 1 359.259 4.404 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000509545470 1100941487 /nfs/dbraw/zinc/94/14/87/1100941487.db2.gz VOGYBXVMDSKQHE-UHFFFAOYSA-N -1 1 360.262 4.420 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1Cl ZINC000509566600 1100964758 /nfs/dbraw/zinc/96/47/58/1100964758.db2.gz GKQRALYHCWOBEQ-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)ccc1OC(C)C ZINC000509581816 1100991489 /nfs/dbraw/zinc/99/14/89/1100991489.db2.gz FFMSEMJTGVQJHH-UHFFFAOYSA-N -1 1 362.476 4.193 20 0 FIADMM CCSc1nccnc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000438923409 1101023177 /nfs/dbraw/zinc/02/31/77/1101023177.db2.gz YYLFNBWCKXBAMH-UHFFFAOYSA-N -1 1 350.403 4.164 20 0 FIADMM CC(C)(C)c1ccc(C(C)(C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000439123622 1101179223 /nfs/dbraw/zinc/17/92/23/1101179223.db2.gz LVARXEFXKYOUPV-UHFFFAOYSA-N -1 1 354.376 4.037 20 0 FIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1 ZINC000536904962 1101328978 /nfs/dbraw/zinc/32/89/78/1101328978.db2.gz MFBMXLIEUFFTMK-UHFFFAOYSA-N -1 1 373.478 4.205 20 0 FIADMM COc1cc(C(=O)NCCc2cc3ccccc3s2)cc(Cl)c1[O-] ZINC000506564026 1101405673 /nfs/dbraw/zinc/40/56/73/1101405673.db2.gz QAZJTCKRMMWZHZ-UHFFFAOYSA-N -1 1 361.850 4.241 20 0 FIADMM CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])no1 ZINC000179647052 1101562019 /nfs/dbraw/zinc/56/20/19/1101562019.db2.gz UYAGZRCIDVUDBP-MRXNPFEDSA-N -1 1 351.406 4.029 20 0 FIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)c1 ZINC000475751011 1101593212 /nfs/dbraw/zinc/59/32/12/1101593212.db2.gz WEEGUKGBOBQBAV-UHFFFAOYSA-N -1 1 370.478 4.088 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1Cl ZINC000439583429 1101593618 /nfs/dbraw/zinc/59/36/18/1101593618.db2.gz XTOZTQBAOSXERY-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000533902658 1101600740 /nfs/dbraw/zinc/60/07/40/1101600740.db2.gz SDPZBTIAKZFNCK-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3cnco3)c2)cc(Cl)c1[O-] ZINC000186661985 1101777725 /nfs/dbraw/zinc/77/77/25/1101777725.db2.gz SKNVSJJSCBZKLX-UHFFFAOYSA-N -1 1 358.781 4.352 20 0 FIADMM CCN(CC)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccco1 ZINC001625961166 1101999368 /nfs/dbraw/zinc/99/93/68/1101999368.db2.gz KDGQZUGLHDWFRW-CQSZACIVSA-N -1 1 371.264 4.105 20 0 FIADMM CSc1nsc([N-]C(=O)c2csc(-c3ccc(C)cc3C)n2)n1 ZINC000440068423 1102007225 /nfs/dbraw/zinc/00/72/25/1102007225.db2.gz GVERPUIKWBEMJE-UHFFFAOYSA-N -1 1 362.505 4.253 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CC)s2)c1 ZINC000475826371 1102017543 /nfs/dbraw/zinc/01/75/43/1102017543.db2.gz GVXZDEYCYQNQKF-UHFFFAOYSA-N -1 1 357.884 4.357 20 0 FIADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476253114 1102064736 /nfs/dbraw/zinc/06/47/36/1102064736.db2.gz CSPXAAKCIUVXLO-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000103187054 1102134223 /nfs/dbraw/zinc/13/42/23/1102134223.db2.gz STVXALCPESUYEE-UHFFFAOYSA-N -1 1 357.837 4.089 20 0 FIADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000475834350 1102135491 /nfs/dbraw/zinc/13/54/91/1102135491.db2.gz YPJZZNXQVFKVJP-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000475837817 1102138670 /nfs/dbraw/zinc/13/86/70/1102138670.db2.gz XCCCKLXWJKUCHC-UHFFFAOYSA-N -1 1 359.781 4.012 20 0 FIADMM O=S(=O)([N-]c1cccnc1Oc1ccc(Cl)cc1Cl)C1CC1 ZINC000475836362 1102139452 /nfs/dbraw/zinc/13/94/52/1102139452.db2.gz UGUMHXYEGVEBJK-UHFFFAOYSA-N -1 1 359.234 4.085 20 0 FIADMM CCc1nc(CNCc2cccc(Oc3ccccc3)c2)ccc1C(=O)[O-] ZINC000426638842 1102211923 /nfs/dbraw/zinc/21/19/23/1102211923.db2.gz SSVOGPLNOPIGIS-UHFFFAOYSA-N -1 1 362.429 4.424 20 0 FIADMM CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC001211848740 1102233872 /nfs/dbraw/zinc/23/38/72/1102233872.db2.gz GGRYLUCWGCWQTC-UHFFFAOYSA-N -1 1 355.459 4.222 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1F ZINC000614825769 1102368588 /nfs/dbraw/zinc/36/85/88/1102368588.db2.gz VSCUAXHYBOGFCJ-UHFFFAOYSA-N -1 1 369.417 4.206 20 0 FIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000048655331 1102408725 /nfs/dbraw/zinc/40/87/25/1102408725.db2.gz APTKZTJICVPGJR-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000121789141 1102437597 /nfs/dbraw/zinc/43/75/97/1102437597.db2.gz KEMAQQBNKOKWQV-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2ccccc12 ZINC000476600849 1102526104 /nfs/dbraw/zinc/52/61/04/1102526104.db2.gz RHAKYHMZSLJRJD-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM Cc1cc(Cl)ccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043173407 1102675881 /nfs/dbraw/zinc/67/58/81/1102675881.db2.gz PZARQPVHOZDXSV-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM Cc1nc(CNCc2ccc(-c3cccc(F)c3)s2)sc1C(=O)[O-] ZINC000426672266 1102862155 /nfs/dbraw/zinc/86/21/55/1102862155.db2.gz QOGAGCAONHIICR-UHFFFAOYSA-N -1 1 362.451 4.307 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CCC(F)(F)F)c1 ZINC000123211992 1102886226 /nfs/dbraw/zinc/88/62/26/1102886226.db2.gz ZLYWNCDDHAGNAP-UHFFFAOYSA-N -1 1 366.339 4.098 20 0 FIADMM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc([O-])cc1 ZINC000133153609 1102931504 /nfs/dbraw/zinc/93/15/04/1102931504.db2.gz WBKBGUFVJZISIY-NSHDSACASA-N -1 1 363.822 4.236 20 0 FIADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H](C)c1cc2ccccc2o1 ZINC000476904971 1102938150 /nfs/dbraw/zinc/93/81/50/1102938150.db2.gz HJESFWZZZYDNAL-GFCCVEGCSA-N -1 1 355.463 4.109 20 0 FIADMM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(F)cc2Cl)cc1 ZINC000426727132 1102939670 /nfs/dbraw/zinc/93/96/70/1102939670.db2.gz MXTGQJJMJWKJMQ-KRWDZBQOSA-N -1 1 351.805 4.183 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)c2cccnc2c1C ZINC000476914198 1102942756 /nfs/dbraw/zinc/94/27/56/1102942756.db2.gz MPLZMNDDMLKIAD-UHFFFAOYSA-N -1 1 363.442 4.201 20 0 FIADMM CCn1c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)nc2c1cccc2F ZINC000261428722 1102945785 /nfs/dbraw/zinc/94/57/85/1102945785.db2.gz PDWPZNIRZKSMGD-UHFFFAOYSA-N -1 1 372.347 4.002 20 0 FIADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(Br)c1 ZINC000426737085 1102954823 /nfs/dbraw/zinc/95/48/23/1102954823.db2.gz LTMAVHOYTHGCJZ-OAHLLOKOSA-N -1 1 368.658 4.326 20 0 FIADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c(Br)c1 ZINC000426737084 1102955090 /nfs/dbraw/zinc/95/50/90/1102955090.db2.gz LTMAVHOYTHGCJZ-HNNXBMFYSA-N -1 1 368.658 4.326 20 0 FIADMM Cc1cc(C)cc([C@H](NCc2cc(C(F)(F)F)ccc2F)C(=O)[O-])c1 ZINC000426743233 1102960764 /nfs/dbraw/zinc/96/07/64/1102960764.db2.gz NJJQQBLEOQVEIZ-INIZCTEOSA-N -1 1 355.331 4.377 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1Br)c1ccccc1 ZINC000426749720 1102966941 /nfs/dbraw/zinc/96/69/41/1102966941.db2.gz HZKKJSCLSHVRIT-MEDUHNTESA-N -1 1 366.230 4.140 20 0 FIADMM Cc1cc(C)cc([C@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000426760790 1102974470 /nfs/dbraw/zinc/97/44/70/1102974470.db2.gz UWOQAPPREJJTIZ-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM Cc1cc(Cl)ccc1CN[C@@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000426761786 1102975624 /nfs/dbraw/zinc/97/56/24/1102975624.db2.gz DFFBOKBOBJCFTA-IBGZPJMESA-N -1 1 369.852 4.140 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(-c2ccccc2)cc1F)c1ccc(O)cc1 ZINC000426770361 1102977794 /nfs/dbraw/zinc/97/77/94/1102977794.db2.gz RCKQRYOAIIUKJM-HXUWFJFHSA-N -1 1 351.377 4.114 20 0 FIADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000614863591 1103011543 /nfs/dbraw/zinc/01/15/43/1103011543.db2.gz GKLRYDOUPSKVKY-UHFFFAOYSA-N -1 1 357.834 4.376 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000426821200 1103015660 /nfs/dbraw/zinc/01/56/60/1103015660.db2.gz QTBSQSDPTWKYTR-CQSZACIVSA-N -1 1 358.196 4.057 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1Br)c1ccsc1 ZINC000426838146 1103030726 /nfs/dbraw/zinc/03/07/26/1103030726.db2.gz ZISNIMPTVPTYLR-GFCCVEGCSA-N -1 1 360.660 4.080 20 0 FIADMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1Cl ZINC000507023189 1103062025 /nfs/dbraw/zinc/06/20/25/1103062025.db2.gz WNBKEVOAJGBGKH-UHFFFAOYSA-N -1 1 358.246 4.133 20 0 FIADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccc(C)cc1 ZINC000532749527 1103163837 /nfs/dbraw/zinc/16/38/37/1103163837.db2.gz OMYZAIKZQKFKNR-UHFFFAOYSA-N -1 1 355.825 4.354 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C(F)(F)F)C1 ZINC001648997730 1103173042 /nfs/dbraw/zinc/17/30/42/1103173042.db2.gz UVGKTZSYYKRDBH-PELKAZGASA-N -1 1 355.278 4.214 20 0 FIADMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(Br)c([O-])c1 ZINC000477486673 1103543492 /nfs/dbraw/zinc/54/34/92/1103543492.db2.gz RCVSDRIJUFBEPH-OAHLLOKOSA-N -1 1 364.214 4.101 20 0 FIADMM O=c1nc(-c2ccc([O-])cn2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000427465705 1103580009 /nfs/dbraw/zinc/58/00/09/1103580009.db2.gz IWHWZPZDZISJQW-UHFFFAOYSA-N -1 1 355.806 4.485 20 0 FIADMM CCOc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1OC ZINC000084460729 1103599178 /nfs/dbraw/zinc/59/91/78/1103599178.db2.gz RNFNVIVBDBZPQU-UHFFFAOYSA-N -1 1 357.431 4.048 20 0 FIADMM CN(CCCc1ccccc1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000519749768 1103833389 /nfs/dbraw/zinc/83/33/89/1103833389.db2.gz MNVRDYXIKVJNOD-UHFFFAOYSA-N -1 1 354.837 4.299 20 0 FIADMM CCc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000025741507 1104143308 /nfs/dbraw/zinc/14/33/08/1104143308.db2.gz KLYBVPYKUARVCA-UHFFFAOYSA-N -1 1 360.479 4.034 20 0 FIADMM C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000112404851 1104219424 /nfs/dbraw/zinc/21/94/24/1104219424.db2.gz JBFWCKQOURKOMQ-VIFPVBQESA-N -1 1 370.630 4.214 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000520398707 1104324288 /nfs/dbraw/zinc/32/42/88/1104324288.db2.gz OUUUZTZXNISIST-GFCCVEGCSA-N -1 1 353.447 4.019 20 0 FIADMM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000112674528 1104392972 /nfs/dbraw/zinc/39/29/72/1104392972.db2.gz CZVHOGLMWJXLFU-ZYHUDNBSSA-N -1 1 366.346 4.004 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2nc(-c3ccco3)sc2C)c(F)c1 ZINC000536311819 1104664366 /nfs/dbraw/zinc/66/43/66/1104664366.db2.gz YDBSSPQFENRKCW-UHFFFAOYSA-N -1 1 362.357 4.445 20 0 FIADMM O=c1nc(-c2ccc([O-])cc2Cl)[nH]c2sc3c(c21)CCCS3 ZINC000190096768 1104876734 /nfs/dbraw/zinc/87/67/34/1104876734.db2.gz ZISHSOXTJHWIOF-UHFFFAOYSA-N -1 1 350.852 4.049 20 0 FIADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000520594951 1105026589 /nfs/dbraw/zinc/02/65/89/1105026589.db2.gz ZAJBXFMLTPVIBC-ZWKOTPCHSA-N -1 1 372.465 4.065 20 0 FIADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000520594950 1105027114 /nfs/dbraw/zinc/02/71/14/1105027114.db2.gz ZAJBXFMLTPVIBC-ROUUACIJSA-N -1 1 372.465 4.065 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441717145 1105119088 /nfs/dbraw/zinc/11/90/88/1105119088.db2.gz LAQMHVXDCAUTLM-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000427643857 1105207202 /nfs/dbraw/zinc/20/72/02/1105207202.db2.gz CWTSRZVIKVVOQS-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000427783832 1105280789 /nfs/dbraw/zinc/28/07/89/1105280789.db2.gz ZXEOZZNUKVWHIC-KKSFZXQISA-N -1 1 358.441 4.006 20 0 FIADMM CCc1cc(CCCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)on1 ZINC000450899679 1106805372 /nfs/dbraw/zinc/80/53/72/1106805372.db2.gz FGKWXHFNEIBDGB-UHFFFAOYSA-N -1 1 355.463 4.433 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000450976766 1106837432 /nfs/dbraw/zinc/83/74/32/1106837432.db2.gz DRYHUGIPAGZIJL-UHFFFAOYSA-N -1 1 360.479 4.034 20 0 FIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n[nH]1 ZINC000450982918 1106870101 /nfs/dbraw/zinc/87/01/01/1106870101.db2.gz VQKBIGFJFMIZGW-LLVKDONJSA-N -1 1 357.426 4.193 20 0 FIADMM Cc1cc(Br)c(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1Cl ZINC000530166729 1106871595 /nfs/dbraw/zinc/87/15/95/1106871595.db2.gz SYXFLYOPNXANMS-YMTOWFKASA-N -1 1 360.679 4.096 20 0 FIADMM Cc1cc(F)ccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444350643 1106885616 /nfs/dbraw/zinc/88/56/16/1106885616.db2.gz HSIAINBUBKNRDY-UHFFFAOYSA-N -1 1 370.424 4.155 20 0 FIADMM Cc1ccccc1Nc1nc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cs1 ZINC000530172817 1106902213 /nfs/dbraw/zinc/90/22/13/1106902213.db2.gz AVFXWTWWXIUMTG-KBPBESRZSA-N -1 1 359.495 4.269 20 0 FIADMM Cc1ccccc1Nc1nc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000530172818 1106902534 /nfs/dbraw/zinc/90/25/34/1106902534.db2.gz AVFXWTWWXIUMTG-QDMKHBRRSA-N -1 1 359.495 4.269 20 0 FIADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc(CCc2ccccc2)n1 ZINC000530174450 1106903578 /nfs/dbraw/zinc/90/35/78/1106903578.db2.gz YBGXNFSFDYGRNX-HUUCEWRRSA-N -1 1 358.507 4.002 20 0 FIADMM O=C([O-])c1ccccc1C1CCN(Cc2cccnc2C(F)(F)F)CC1 ZINC000530210910 1106913268 /nfs/dbraw/zinc/91/32/68/1106913268.db2.gz ZMPCNGMXLCLFNR-UHFFFAOYSA-N -1 1 364.367 4.178 20 0 FIADMM Cc1nc(-c2ccc(NCC(C)(C)c3cccs3)nc2)[n-]c(=O)c1C ZINC000301400276 1107018073 /nfs/dbraw/zinc/01/80/73/1107018073.db2.gz PSIBWCXJNRLFLR-UHFFFAOYSA-N -1 1 354.479 4.312 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc(F)c(Cl)c3)nc2)[n-]c(=O)c1C ZINC000301444536 1107032725 /nfs/dbraw/zinc/03/27/25/1107032725.db2.gz YXWMXVWOXKMRHF-UHFFFAOYSA-N -1 1 358.804 4.266 20 0 FIADMM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301510850 1107053447 /nfs/dbraw/zinc/05/34/47/1107053447.db2.gz APGVMEUTQFFUMR-HZPDHXFCSA-N -1 1 358.511 4.337 20 0 FIADMM O=S(=O)([N-][C@@H]1CCc2sc(Cl)cc21)c1sccc1Cl ZINC000451570401 1107185791 /nfs/dbraw/zinc/18/57/91/1107185791.db2.gz UWAJWKYFYCXZRM-MRVPVSSYSA-N -1 1 354.305 4.082 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000530713476 1107261644 /nfs/dbraw/zinc/26/16/44/1107261644.db2.gz BJIPEJJRCUGFBA-LBPRGKRZSA-N -1 1 356.422 4.161 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000530770816 1107310985 /nfs/dbraw/zinc/31/09/85/1107310985.db2.gz IXAZSQNDDQCTBI-DGCLKSJQSA-N -1 1 361.385 4.080 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000122309375 1107397556 /nfs/dbraw/zinc/39/75/56/1107397556.db2.gz YVXZRFLKETVQQQ-SECBINFHSA-N -1 1 374.359 4.026 20 0 FIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1C ZINC000531283363 1107721334 /nfs/dbraw/zinc/72/13/34/1107721334.db2.gz JPACBWLNZMDASH-UHFFFAOYSA-N -1 1 371.414 4.062 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000614788641 1107772269 /nfs/dbraw/zinc/77/22/69/1107772269.db2.gz LFONHSKPWIBELC-UHFFFAOYSA-N -1 1 362.426 4.374 20 0 FIADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000452639173 1107852843 /nfs/dbraw/zinc/85/28/43/1107852843.db2.gz BOYWRRRTIVEMPT-WPRPVWTQSA-N -1 1 355.278 4.214 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c(C)n1 ZINC000531844312 1108257943 /nfs/dbraw/zinc/25/79/43/1108257943.db2.gz LHQNBUAPTDMRIQ-UHFFFAOYSA-N -1 1 368.414 4.099 20 0 FIADMM CCc1ocnc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000523510539 1108272551 /nfs/dbraw/zinc/27/25/51/1108272551.db2.gz MWSIPVSFFZHDQJ-UHFFFAOYSA-N -1 1 350.330 4.060 20 0 FIADMM COc1cc(-c2noc(CCC(C)(C)C)n2)cc(Br)c1[O-] ZINC000445392645 1108708728 /nfs/dbraw/zinc/70/87/28/1108708728.db2.gz NIMCXNHTWWBUET-UHFFFAOYSA-N -1 1 355.232 4.192 20 0 FIADMM CCOc1cc(-c2noc(C[C@H](OCC)C(C)C)n2)cc(Cl)c1[O-] ZINC000445410286 1108721322 /nfs/dbraw/zinc/72/13/22/1108721322.db2.gz DKILBTOWFWCPHN-ZDUSSCGKSA-N -1 1 354.834 4.098 20 0 FIADMM CCC(CC)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445397653 1108726560 /nfs/dbraw/zinc/72/65/60/1108726560.db2.gz KPPMUTMORKNEQD-UHFFFAOYSA-N -1 1 355.232 4.192 20 0 FIADMM CCOc1cc(-c2noc(Cc3cc(C)ccc3OC)n2)cc(Cl)c1[O-] ZINC000445408782 1108733176 /nfs/dbraw/zinc/73/31/76/1108733176.db2.gz MCYOKBDHUGRDKP-UHFFFAOYSA-N -1 1 374.824 4.402 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4nsnc4c3)n2)cc(Cl)c1[O-] ZINC000445408078 1108733589 /nfs/dbraw/zinc/73/35/89/1108733589.db2.gz YXHJOIPQDGPSQB-UHFFFAOYSA-N -1 1 374.809 4.166 20 0 FIADMM CCOc1cc(-c2noc(CCc3cccs3)n2)cc(Cl)c1[O-] ZINC000445429452 1108741344 /nfs/dbraw/zinc/74/13/44/1108741344.db2.gz DLAXJHCVWMYMSM-UHFFFAOYSA-N -1 1 350.827 4.341 20 0 FIADMM COc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000532292027 1108745552 /nfs/dbraw/zinc/74/55/52/1108745552.db2.gz PGIAZGUYLNPMBX-UHFFFAOYSA-N -1 1 365.813 4.442 20 0 FIADMM CCOc1cc(-c2noc(CSc3ccncc3)n2)cc(Cl)c1[O-] ZINC000445420875 1108747580 /nfs/dbraw/zinc/74/75/80/1108747580.db2.gz DTBLOMXLUVEIFD-UHFFFAOYSA-N -1 1 363.826 4.182 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)c(Cl)c1 ZINC000445450762 1108752911 /nfs/dbraw/zinc/75/29/11/1108752911.db2.gz WGYRGDCVLAPWTK-UHFFFAOYSA-N -1 1 365.614 4.449 20 0 FIADMM COc1ccc2c(Cc3nc(-c4ccc([O-])cc4Cl)no3)coc2c1 ZINC000445450513 1108753817 /nfs/dbraw/zinc/75/38/17/1108753817.db2.gz YLYHHYIVRRHHLE-UHFFFAOYSA-N -1 1 356.765 4.441 20 0 FIADMM COc1ccc(OC)c(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445452572 1108767835 /nfs/dbraw/zinc/76/78/35/1108767835.db2.gz DHNNYTZJNXAQAK-BAQGIRSFSA-N -1 1 358.781 4.283 20 0 FIADMM COCCCOc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445445733 1108770827 /nfs/dbraw/zinc/77/08/27/1108770827.db2.gz KCDNWLOPMUOSDU-UHFFFAOYSA-N -1 1 360.797 4.178 20 0 FIADMM O=C(c1cc[nH]c1)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445446601 1108772581 /nfs/dbraw/zinc/77/25/81/1108772581.db2.gz MMRTTZMGKUOIEP-UHFFFAOYSA-N -1 1 365.776 4.322 20 0 FIADMM CCCN(CC)C(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445472400 1108784793 /nfs/dbraw/zinc/78/47/93/1108784793.db2.gz KNXRHTIBTSLBBK-UHFFFAOYSA-N -1 1 369.396 4.120 20 0 FIADMM CC(=O)CCc1ccc(O[C@@H](C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445458518 1108792282 /nfs/dbraw/zinc/79/22/82/1108792282.db2.gz YOZMZILJRBBOPB-ZDUSSCGKSA-N -1 1 370.380 4.243 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3ccccc3OC(F)F)n2)c(F)c1 ZINC000445458211 1108792437 /nfs/dbraw/zinc/79/24/37/1108792437.db2.gz WRMBRKGSWWQSRS-OLZOCXBDSA-N -1 1 362.307 4.454 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3OC(F)F)n2)c(F)c1 ZINC000445458212 1108792617 /nfs/dbraw/zinc/79/26/17/1108792617.db2.gz WRMBRKGSWWQSRS-QWHCGFSZSA-N -1 1 362.307 4.454 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)c(F)c1 ZINC000445461244 1108794785 /nfs/dbraw/zinc/79/47/85/1108794785.db2.gz WQWGGOZHOZUMND-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM CC(=O)Nc1ccc(S[C@@H](C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445460215 1108794939 /nfs/dbraw/zinc/79/49/39/1108794939.db2.gz OQDCSWINMFJBGD-JTQLQIEISA-N -1 1 373.409 4.393 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4ccccc4)n3)n2)cc1F ZINC000445477303 1108796539 /nfs/dbraw/zinc/79/65/39/1108796539.db2.gz CEKNFIJLZIWYJY-UHFFFAOYSA-N -1 1 353.378 4.296 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4cccs4)n3)n2)cc1F ZINC000445477624 1108796805 /nfs/dbraw/zinc/79/68/05/1108796805.db2.gz DOVXAUNEAMPMQT-UHFFFAOYSA-N -1 1 359.407 4.357 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(F)c(Br)c3)n2)cc1F ZINC000445484763 1108803638 /nfs/dbraw/zinc/80/36/38/1108803638.db2.gz WVURPNHMOWANLM-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM Cc1ccc(C(=O)CCCCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445484774 1108803952 /nfs/dbraw/zinc/80/39/52/1108803952.db2.gz XAAZSCMJYDABKI-UHFFFAOYSA-N -1 1 354.381 4.485 20 0 FIADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445706977 1108959170 /nfs/dbraw/zinc/95/91/70/1108959170.db2.gz JIPNJLCPVLHXGQ-GFCCVEGCSA-N -1 1 367.364 4.136 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)c(C)c1 ZINC000524384560 1108988753 /nfs/dbraw/zinc/98/87/53/1108988753.db2.gz HKDVJXGHTWBYJR-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1 ZINC000525670328 1109479564 /nfs/dbraw/zinc/47/95/64/1109479564.db2.gz RNYARQCXXXCMEH-UHFFFAOYSA-N -1 1 374.506 4.059 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447794530 1109642266 /nfs/dbraw/zinc/64/22/66/1109642266.db2.gz KGGCUUZEWLWUQL-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC=CCC1 ZINC000448695752 1109865466 /nfs/dbraw/zinc/86/54/66/1109865466.db2.gz AKAWICKVJPJXFF-HXUWFJFHSA-N -1 1 370.474 4.172 20 0 FIADMM CCOc1cc(-c2noc([C@H]3C[C@]3(C)Br)n2)cc(Cl)c1[O-] ZINC000528170389 1109930937 /nfs/dbraw/zinc/93/09/37/1109930937.db2.gz ZMAYRTCLBRRBRB-CLAHSXSESA-N -1 1 373.634 4.135 20 0 FIADMM CC(C)c1nocc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000529174333 1110212977 /nfs/dbraw/zinc/21/29/77/1110212977.db2.gz SPEYJRMDTOEGFH-CQSZACIVSA-N -1 1 368.462 4.370 20 0 FIADMM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538584 1110286558 /nfs/dbraw/zinc/28/65/58/1110286558.db2.gz FXGYCRBRZRLKFQ-STQMWFEESA-N -1 1 363.841 4.112 20 0 FIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461337999 1111175511 /nfs/dbraw/zinc/17/55/11/1111175511.db2.gz JVFHXXCWEDWKRZ-UHFFFAOYSA-N -1 1 371.789 4.230 20 0 FIADMM Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000538743301 1111277868 /nfs/dbraw/zinc/27/78/68/1111277868.db2.gz SBSOLGVZOJLUFR-QGZVFWFLSA-N -1 1 369.852 4.300 20 0 FIADMM O=C(CC[C@@H]1CCCCO1)Nc1c([O-])cc(Br)cc1Cl ZINC000552025612 1111315930 /nfs/dbraw/zinc/31/59/30/1111315930.db2.gz DVSIMSQWCUTUJX-JTQLQIEISA-N -1 1 362.651 4.096 20 0 FIADMM COc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)ccc1C ZINC000552027561 1111359406 /nfs/dbraw/zinc/35/94/06/1111359406.db2.gz QNUFHARYEBKCLB-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM CCOc1cc(C(=O)N2CCC=C(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000552437440 1111706968 /nfs/dbraw/zinc/70/69/68/1111706968.db2.gz DDOCXORPONHPHE-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cccc(F)c3F)cc2s1 ZINC000479277610 1111980221 /nfs/dbraw/zinc/98/02/21/1111980221.db2.gz ZNLXGHLUQRPMHG-UHFFFAOYSA-N -1 1 374.821 4.337 20 0 FIADMM Cc1ccc(Cc2cnc(NC([O-])=Nc3ccn(C(C)C)n3)s2)cc1F ZINC000479623780 1112092694 /nfs/dbraw/zinc/09/26/94/1112092694.db2.gz RAGUHPILYVZJAK-UHFFFAOYSA-N -1 1 373.457 4.025 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC2(CCSCC2)CC1 ZINC000899158270 1112640449 /nfs/dbraw/zinc/64/04/49/1112640449.db2.gz QZFQYPMZJWIOGU-UHFFFAOYSA-N -1 1 357.475 4.000 20 0 FIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(F)cc(C(F)(F)F)cc1F ZINC000555080628 1112649509 /nfs/dbraw/zinc/64/95/09/1112649509.db2.gz YWYVIZIVKCOJCF-UHFFFAOYSA-N -1 1 374.313 4.333 20 0 FIADMM C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC=CCC1 ZINC000448623680 1112673260 /nfs/dbraw/zinc/67/32/60/1112673260.db2.gz FDRWNJPUCZKIDM-HXUWFJFHSA-N -1 1 370.474 4.172 20 0 FIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000555144627 1112692972 /nfs/dbraw/zinc/69/29/72/1112692972.db2.gz OUGDDZBXYAPZRL-UHFFFAOYSA-N -1 1 362.451 4.287 20 0 FIADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000600135781 1112904875 /nfs/dbraw/zinc/90/48/75/1112904875.db2.gz LKAAYMMQULANOW-VXGBXAGGSA-N -1 1 361.825 4.117 20 0 FIADMM Cc1nc(NC(=O)c2cncc([O-])c2)sc1Cc1cccc(Cl)c1 ZINC000555787259 1112995128 /nfs/dbraw/zinc/99/51/28/1112995128.db2.gz ZSMFHOPZPXBLBL-UHFFFAOYSA-N -1 1 359.838 4.049 20 0 FIADMM CCN(C(=O)c1cncc([O-])c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000555867377 1113034842 /nfs/dbraw/zinc/03/48/42/1113034842.db2.gz WWUXWYMUUOVCLT-IBGZPJMESA-N -1 1 367.836 4.087 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)COc2ccccc2)c1 ZINC000482527467 1113286960 /nfs/dbraw/zinc/28/69/60/1113286960.db2.gz FCQTYPVEYWUPFU-LBPRGKRZSA-N -1 1 364.239 4.117 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc3cnccc32)c1 ZINC000482557574 1113294999 /nfs/dbraw/zinc/29/49/99/1113294999.db2.gz TUTUGQOTWWFABE-UHFFFAOYSA-N -1 1 357.207 4.264 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000482599054 1113309184 /nfs/dbraw/zinc/30/91/84/1113309184.db2.gz DFIWACKEYIVDRA-SNVBAGLBSA-N -1 1 368.202 4.008 20 0 FIADMM Cc1nc(-c2ccc(N3CCc4sccc4[C@H]3C)nc2)[n-]c(=O)c1C ZINC000486415092 1113566044 /nfs/dbraw/zinc/56/60/44/1113566044.db2.gz GVHGVVISNNCQLX-CYBMUJFWSA-N -1 1 352.463 4.046 20 0 FIADMM Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908115584 1113609929 /nfs/dbraw/zinc/60/99/29/1113609929.db2.gz QOFJJVVODGNING-HNNXBMFYSA-N -1 1 353.466 4.227 20 0 FIADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000486773492 1113640138 /nfs/dbraw/zinc/64/01/38/1113640138.db2.gz AFHXQXRTYLMGKD-IBGZPJMESA-N -1 1 374.278 4.349 20 0 FIADMM CC(C)Cn1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C(F)F ZINC000486929446 1113678774 /nfs/dbraw/zinc/67/87/74/1113678774.db2.gz AREGSMRFOQVRRZ-UHFFFAOYSA-N -1 1 358.776 4.480 20 0 FIADMM C[C@]1(CC(=O)Nc2cccc([O-])c2Br)CC1(Cl)Cl ZINC000908707893 1113686663 /nfs/dbraw/zinc/68/66/63/1113686663.db2.gz OCTOISLESWCFTD-NSHDSACASA-N -1 1 353.043 4.067 20 0 FIADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@H](c2ccco2)C1 ZINC000491079501 1114366097 /nfs/dbraw/zinc/36/60/97/1114366097.db2.gz ZREPNRBMWKRXLG-RISCZKNCSA-N -1 1 364.239 4.361 20 0 FIADMM Cc1nc(-c2ccc(N3CCc4sc(Cl)cc4C3)nc2)[n-]c(=O)c1C ZINC000570959192 1114418302 /nfs/dbraw/zinc/41/83/02/1114418302.db2.gz WYJNZZKMAAGSMI-UHFFFAOYSA-N -1 1 372.881 4.139 20 0 FIADMM C[C@]12CCN([C@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)C[C@H]1C2(F)F ZINC000571583003 1114481710 /nfs/dbraw/zinc/48/17/10/1114481710.db2.gz PRCOMTNYFPOVQL-DYEKYZERSA-N -1 1 350.192 4.096 20 0 FIADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c(F)c1 ZINC000588622967 1114582027 /nfs/dbraw/zinc/58/20/27/1114582027.db2.gz CHJBHIIXMLGHCN-UHFFFAOYSA-N -1 1 368.188 4.081 20 0 FIADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000588833046 1114662260 /nfs/dbraw/zinc/66/22/60/1114662260.db2.gz FFNGBOXVBMSAOL-UHFFFAOYSA-N -1 1 372.343 4.137 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2)oc1C ZINC000057120419 1114873929 /nfs/dbraw/zinc/87/39/29/1114873929.db2.gz LKHAWRJRIGJLBM-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1 ZINC000057120378 1114874105 /nfs/dbraw/zinc/87/41/05/1114874105.db2.gz YVYJRQVFFBHQGO-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590101651 1114894218 /nfs/dbraw/zinc/89/42/18/1114894218.db2.gz REIHQKRFZLHPGO-OXQOHEQNSA-N -1 1 372.509 4.355 20 0 FIADMM CCC[C@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590618482 1114954718 /nfs/dbraw/zinc/95/47/18/1114954718.db2.gz OFNPELAIFKZBFR-OXJNMPFZSA-N -1 1 372.509 4.355 20 0 FIADMM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cc(F)ccc1F ZINC001212166860 1115028216 /nfs/dbraw/zinc/02/82/16/1115028216.db2.gz YAZFDPAGASIQNJ-SWLSCSKDSA-N -1 1 371.836 4.233 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(F)c(F)c1F ZINC000591392382 1115077156 /nfs/dbraw/zinc/07/71/56/1115077156.db2.gz ICWVTFAXPWMLSJ-QGZVFWFLSA-N -1 1 373.371 4.063 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591463523 1115082796 /nfs/dbraw/zinc/08/27/96/1115082796.db2.gz MVQHITDQYKHGTR-UHFFFAOYSA-N -1 1 351.780 4.344 20 0 FIADMM COc1ccc(-c2csc3[n-]c(-c4coc(C)n4)nc(=O)c23)cc1OC ZINC000573523872 1115135393 /nfs/dbraw/zinc/13/53/93/1115135393.db2.gz NQZISQUVMVUXGA-UHFFFAOYSA-N -1 1 369.402 4.045 20 0 FIADMM COc1ccc(C(=O)[N-]C(=O)CSCc2cccc3ccccc32)cc1 ZINC000058486060 1115236969 /nfs/dbraw/zinc/23/69/69/1115236969.db2.gz RREDFHIMJGIASN-UHFFFAOYSA-N -1 1 365.454 4.038 20 0 FIADMM O=C([O-])C[C@H]1CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000325902085 1115276908 /nfs/dbraw/zinc/27/69/08/1115276908.db2.gz XBTFEVGKVZNDQM-GFCCVEGCSA-N -1 1 355.278 4.163 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1 ZINC000171598262 1115872376 /nfs/dbraw/zinc/87/23/76/1115872376.db2.gz ALQDJBPVANWTLJ-DOTOQJQBSA-N -1 1 372.538 4.247 20 0 FIADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000607030552 1115993909 /nfs/dbraw/zinc/99/39/09/1115993909.db2.gz FZLUCIONPOJOCD-UHFFFAOYSA-N -1 1 359.491 4.336 20 0 FIADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000172965469 1116011913 /nfs/dbraw/zinc/01/19/13/1116011913.db2.gz IUKDFZDMCLWRJC-DYVFJYSZSA-N -1 1 369.469 4.182 20 0 FIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc2c(c1)CCC2 ZINC000607615849 1116049397 /nfs/dbraw/zinc/04/93/97/1116049397.db2.gz TZTSEBKDUDMNRM-UHFFFAOYSA-N -1 1 355.381 4.081 20 0 FIADMM O=S(=O)([N-]c1c(O)cccc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000608004612 1116077730 /nfs/dbraw/zinc/07/77/30/1116077730.db2.gz OHJFSJSQKBBDTG-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM CC(C)c1nc(C(=O)Nc2c([O-])cccc2F)nn1-c1ccccc1Cl ZINC000608365246 1116102316 /nfs/dbraw/zinc/10/23/16/1116102316.db2.gz BQCVAIBGZJOSMY-UHFFFAOYSA-N -1 1 374.803 4.141 20 0 FIADMM Cc1ccc(-n2nc(C(=O)Nc3c([O-])cccc3F)c3c2CCC3)c(C)c1 ZINC000608366680 1116102622 /nfs/dbraw/zinc/10/26/22/1116102622.db2.gz WAELLJMMTPWOIE-UHFFFAOYSA-N -1 1 365.408 4.075 20 0 FIADMM COc1ccc(-c2nc(C)c(C(=O)Nc3c([O-])cccc3F)s2)cc1 ZINC000608367595 1116102703 /nfs/dbraw/zinc/10/27/03/1116102703.db2.gz YYGZKDBLUAUTHY-UHFFFAOYSA-N -1 1 358.394 4.224 20 0 FIADMM Cc1ccc(-n2ccnc2SCC(=O)Nc2c([O-])cccc2F)cc1C ZINC000608367180 1116102786 /nfs/dbraw/zinc/10/27/86/1116102786.db2.gz LGARJFRPFFRCHV-UHFFFAOYSA-N -1 1 371.437 4.065 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000174365090 1116131049 /nfs/dbraw/zinc/13/10/49/1116131049.db2.gz AVWJYXFVYDDCGA-RDJZCZTQSA-N -1 1 370.522 4.097 20 0 FIADMM CC[C@H](C)C[C@@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000174535555 1116139593 /nfs/dbraw/zinc/13/95/93/1116139593.db2.gz CGYQUAJNXFSGOM-NWDGAFQWSA-N -1 1 352.529 4.000 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2C)n[nH]c1-c1ccccc1 ZINC000534064952 1116151615 /nfs/dbraw/zinc/15/16/15/1116151615.db2.gz JWFUUQFBGUOARS-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456774421 1116216812 /nfs/dbraw/zinc/21/68/12/1116216812.db2.gz CCUWHVODEQSENZ-UHFFFAOYSA-N -1 1 367.421 4.041 20 0 FIADMM Cc1nc(-c2ccc(N3Cc4ccccc4C(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000534635350 1116221642 /nfs/dbraw/zinc/22/16/42/1116221642.db2.gz RKFOAQRZMSNURW-UHFFFAOYSA-N -1 1 360.461 4.159 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cn(C)c3ccccc23)c1 ZINC000539799205 1116382166 /nfs/dbraw/zinc/38/21/66/1116382166.db2.gz CZPCYGJKCGJZQH-UHFFFAOYSA-N -1 1 373.250 4.136 20 0 FIADMM CSc1ccc(OCCSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000463268971 1118072085 /nfs/dbraw/zinc/07/20/85/1118072085.db2.gz WMKCCNAYKDYTGS-UHFFFAOYSA-N -1 1 362.398 4.094 20 0 FIADMM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000463296685 1118078908 /nfs/dbraw/zinc/07/89/08/1118078908.db2.gz WKKPOWYJZXNDDF-UHFFFAOYSA-N -1 1 366.402 4.268 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1Cl ZINC000463522392 1118203145 /nfs/dbraw/zinc/20/31/45/1118203145.db2.gz IJARDKSOLDHWRJ-UHFFFAOYSA-N -1 1 370.908 4.472 20 0 FIADMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)[n-]c(=O)c1C ZINC000540712554 1118209616 /nfs/dbraw/zinc/20/96/16/1118209616.db2.gz HMSLDFPBJFFQSP-ZDUSSCGKSA-N -1 1 353.447 4.072 20 0 FIADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000491301023 1118262608 /nfs/dbraw/zinc/26/26/08/1118262608.db2.gz RPQDDIKCCILOHQ-HIFRSBDPSA-N -1 1 374.278 4.248 20 0 FIADMM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1c(F)cccc1Cl ZINC000463688273 1118283575 /nfs/dbraw/zinc/28/35/75/1118283575.db2.gz SMPGMHMEVISFBE-INIZCTEOSA-N -1 1 365.813 4.140 20 0 FIADMM Cc1ccccc1CC1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000669954780 1119119743 /nfs/dbraw/zinc/11/97/43/1119119743.db2.gz MZOYGHMCGJGRIP-UHFFFAOYSA-N -1 1 366.848 4.217 20 0 FIADMM O=c1cc(C(F)(F)F)nc(CNc2cc(Cl)c(F)c(Cl)c2)[n-]1 ZINC000492677387 1119162617 /nfs/dbraw/zinc/16/26/17/1119162617.db2.gz SHNUTKSIZDWUAQ-UHFFFAOYSA-N -1 1 356.106 4.259 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC2CCCC2)cc1 ZINC000031146081 1119300421 /nfs/dbraw/zinc/30/04/21/1119300421.db2.gz GYKYMKINTQJSNP-UHFFFAOYSA-N -1 1 372.538 4.393 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000031382340 1119473716 /nfs/dbraw/zinc/47/37/16/1119473716.db2.gz DIKOWBKHKDMJIU-DOTOQJQBSA-N -1 1 372.538 4.343 20 0 FIADMM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182932951 1119562965 /nfs/dbraw/zinc/56/29/65/1119562965.db2.gz ILOURQSFONPWRJ-LLVKDONJSA-N -1 1 356.260 4.187 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c(F)cc(F)cc2F)c1 ZINC000182930905 1119563279 /nfs/dbraw/zinc/56/32/79/1119563279.db2.gz GNQDMNNICBMMSL-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM COc1c(C)cnc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1C ZINC000185054222 1119638192 /nfs/dbraw/zinc/63/81/92/1119638192.db2.gz OJRSGIRTZNISOJ-UHFFFAOYSA-N -1 1 367.474 4.058 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000185766354 1119685835 /nfs/dbraw/zinc/68/58/35/1119685835.db2.gz HAAHGUFXGHXCSO-QZTJIDSGSA-N -1 1 372.490 4.026 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1ncoc1-c1ccc(F)cc1 ZINC000186705908 1119745313 /nfs/dbraw/zinc/74/53/13/1119745313.db2.gz SYJACCSFPHKQFX-UHFFFAOYSA-N -1 1 372.406 4.313 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000187297279 1119776932 /nfs/dbraw/zinc/77/69/32/1119776932.db2.gz CCJFIOBNVVZQER-UHFFFAOYSA-N -1 1 371.458 4.360 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000187328468 1119777131 /nfs/dbraw/zinc/77/71/31/1119777131.db2.gz NJGAYQHMJNQNFJ-UHFFFAOYSA-N -1 1 358.385 4.024 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(CC(F)(F)F)cc1 ZINC000189299405 1119885535 /nfs/dbraw/zinc/88/55/35/1119885535.db2.gz SWNPOXMLDRYBMR-UHFFFAOYSA-N -1 1 369.286 4.010 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc2c(cc1Cl)OCCO2 ZINC000192186872 1120038567 /nfs/dbraw/zinc/03/85/67/1120038567.db2.gz DCLUUZGTTYRXBC-UHFFFAOYSA-N -1 1 355.177 4.114 20 0 FIADMM CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OCC ZINC000670093128 1120179930 /nfs/dbraw/zinc/17/99/30/1120179930.db2.gz WHABORNJYHQGCX-UHFFFAOYSA-N -1 1 365.813 4.104 20 0 FIADMM CCOC(=O)C(=C([O-])CSc1ccccc1Cl)c1nc(C)cs1 ZINC000495359842 1120729522 /nfs/dbraw/zinc/72/95/22/1120729522.db2.gz WEBGAMMPLYUQJW-CQSZACIVSA-N -1 1 369.895 4.113 20 0 FIADMM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCCC1 ZINC000303905960 1120810561 /nfs/dbraw/zinc/81/05/61/1120810561.db2.gz WMWHYGVKSUPGJR-UHFFFAOYSA-N -1 1 355.809 4.217 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(SC(C)(C)C)cn3)no2)c([O-])c1 ZINC000762389720 1120900419 /nfs/dbraw/zinc/90/04/19/1120900419.db2.gz LMGSKPMVTXUSLK-UHFFFAOYSA-N -1 1 357.435 4.403 20 0 FIADMM O=c1nc(-c2ccc[nH]2)[n-]c2cc(-c3cccc(Br)c3)sc21 ZINC000762439988 1120909126 /nfs/dbraw/zinc/90/91/26/1120909126.db2.gz BNPBMWXGHFBXSG-UHFFFAOYSA-N -1 1 372.247 4.409 20 0 FIADMM COc1ccc(-c2nc(NC(=O)c3ccc(OC)cc3[O-])sc2C)cc1 ZINC000029146935 1121030064 /nfs/dbraw/zinc/03/00/64/1121030064.db2.gz CZTCQVBIJIDQBY-UHFFFAOYSA-N -1 1 370.430 4.094 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000031395505 1121082013 /nfs/dbraw/zinc/08/20/13/1121082013.db2.gz GANBQMKFIWCAQD-AWEZNQCLSA-N -1 1 374.440 4.385 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1Cl ZINC000031667988 1121088848 /nfs/dbraw/zinc/08/88/48/1121088848.db2.gz KVQOCVHVDLRIPG-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000031721552 1121091178 /nfs/dbraw/zinc/09/11/78/1121091178.db2.gz QDBFSXNYKJVXRJ-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1C ZINC000032595216 1121111532 /nfs/dbraw/zinc/11/15/32/1121111532.db2.gz KAULIXLTWNNGKK-UHFFFAOYSA-N -1 1 374.462 4.243 20 0 FIADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1ccc(-c2ccccc2)cn1 ZINC000062545652 1121144110 /nfs/dbraw/zinc/14/41/10/1121144110.db2.gz ZXUAIWVKJSKEEP-UHFFFAOYSA-N -1 1 358.850 4.344 20 0 FIADMM CCc1nc2cc(CNC(=O)c3ccc(Cl)cc3[O-])ccc2n1C1CC1 ZINC001626052351 1121167338 /nfs/dbraw/zinc/16/73/38/1121167338.db2.gz NSXWECAWRMCHHK-UHFFFAOYSA-N -1 1 369.852 4.223 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C(F)(F)F)c1 ZINC000054293495 1121187721 /nfs/dbraw/zinc/18/77/21/1121187721.db2.gz DYSWTFCKSVLOTA-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000054293399 1121187770 /nfs/dbraw/zinc/18/77/70/1121187770.db2.gz OVJYZDUQCDMIKN-UHFFFAOYSA-N -1 1 365.760 4.168 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000046406071 1121278658 /nfs/dbraw/zinc/27/86/58/1121278658.db2.gz UVAPNWDOXOOOSA-UHFFFAOYSA-N -1 1 369.446 4.022 20 0 FIADMM Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000046611631 1121285030 /nfs/dbraw/zinc/28/50/30/1121285030.db2.gz ZOSOFVHWGYYRHF-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1C ZINC000037408631 1121573697 /nfs/dbraw/zinc/57/36/97/1121573697.db2.gz SMIPXVVOAUVJIV-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CC(C)C[C@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435774 1121826572 /nfs/dbraw/zinc/82/65/72/1121826572.db2.gz SVXPRUVVCOOKHO-AWEZNQCLSA-N -1 1 352.548 4.300 20 0 FIADMM O=C([N-]c1nncs1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000065721107 1121969694 /nfs/dbraw/zinc/96/96/94/1121969694.db2.gz FMOYWLGJKRGONT-UHFFFAOYSA-N -1 1 357.247 4.221 20 0 FIADMM COCC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000653951642 1122125105 /nfs/dbraw/zinc/12/51/05/1122125105.db2.gz LKPPVJKDDROWLO-HNNXBMFYSA-N -1 1 371.330 4.058 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@H](CC(F)(F)F)C(C)C)cnc1Cl ZINC001128079497 1122230987 /nfs/dbraw/zinc/23/09/87/1122230987.db2.gz JPTVSXKEMKYFQL-SNVBAGLBSA-N -1 1 358.738 4.228 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000055595094 1122256381 /nfs/dbraw/zinc/25/63/81/1122256381.db2.gz MDBVVANZDKFRFK-UHFFFAOYSA-N -1 1 360.479 4.268 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000055633136 1122258363 /nfs/dbraw/zinc/25/83/63/1122258363.db2.gz JBDBMKFTUMQSNA-UHFFFAOYSA-N -1 1 357.431 4.106 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c(C)c1 ZINC000055632302 1122259018 /nfs/dbraw/zinc/25/90/18/1122259018.db2.gz XODTZKLKIDXCSV-UHFFFAOYSA-N -1 1 368.458 4.078 20 0 FIADMM O=S(=O)(/C=C\c1ccccc1)[N-]c1cccnc1Oc1ccccc1 ZINC000917753528 1122428398 /nfs/dbraw/zinc/42/83/98/1122428398.db2.gz QLGDHRYUVWPONI-SQFISAMPSA-N -1 1 352.415 4.287 20 0 FIADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccnc1Oc1ccccc1 ZINC000917753525 1122428457 /nfs/dbraw/zinc/42/84/57/1122428457.db2.gz QLGDHRYUVWPONI-FYWRMAATSA-N -1 1 352.415 4.287 20 0 FIADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000497977476 1122497282 /nfs/dbraw/zinc/49/72/82/1122497282.db2.gz ZNGZEOVNMBAUON-MRVPVSSYSA-N -1 1 366.493 4.073 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1Cc1ccccn1 ZINC000129627241 1122652309 /nfs/dbraw/zinc/65/23/09/1122652309.db2.gz RNUYMVYLBJRQGQ-UHFFFAOYSA-N -1 1 355.825 4.160 20 0 FIADMM CCn1c2ccccc2nc1SCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129637847 1122654796 /nfs/dbraw/zinc/65/47/96/1122654796.db2.gz QPGMLYREDUQPFG-UHFFFAOYSA-N -1 1 361.854 4.146 20 0 FIADMM CC[C@H]1CCC[C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000154952839 1122962549 /nfs/dbraw/zinc/96/25/49/1122962549.db2.gz DKATVOPTUYFQCS-HOCLYGCPSA-N -1 1 358.511 4.001 20 0 FIADMM COCc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000556845963 1123138913 /nfs/dbraw/zinc/13/89/13/1123138913.db2.gz MCDMIMCAAGSEIN-UHFFFAOYSA-N -1 1 370.630 4.207 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cccc(C(F)(F)F)c1 ZINC000132751024 1123355386 /nfs/dbraw/zinc/35/53/86/1123355386.db2.gz SNPVNIUKJFREHW-UHFFFAOYSA-N -1 1 368.336 4.161 20 0 FIADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000132763805 1123357146 /nfs/dbraw/zinc/35/71/46/1123357146.db2.gz TUYDYDOBOYFAKA-PXNSSMCTSA-N -1 1 372.490 4.171 20 0 FIADMM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1c([O-])cccc1Cl ZINC000920458777 1123459843 /nfs/dbraw/zinc/45/98/43/1123459843.db2.gz ZPJHFXQFBWHCLU-UHFFFAOYSA-N -1 1 372.852 4.104 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(F)c(Cl)cc1F ZINC000133367619 1123480173 /nfs/dbraw/zinc/48/01/73/1123480173.db2.gz WQVDIBPHIPJGOV-UHFFFAOYSA-N -1 1 357.794 4.451 20 0 FIADMM O=C([N-]Cc1nc2cc(Cl)ccc2s1)C(F)(F)c1ccc(F)cc1 ZINC000920845233 1123528752 /nfs/dbraw/zinc/52/87/52/1123528752.db2.gz PTBBDEUCSVDTFO-UHFFFAOYSA-N -1 1 370.783 4.497 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3oc(C(F)(F)F)nc3c2)c1 ZINC000920926166 1123535962 /nfs/dbraw/zinc/53/59/62/1123535962.db2.gz GQITTWWSIGHTAG-UHFFFAOYSA-N -1 1 370.352 4.264 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000134679661 1123661076 /nfs/dbraw/zinc/66/10/76/1123661076.db2.gz UYPSWFHZHJJRNI-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CCc1nnsc1C(=O)[N-]c1cccc(Cl)c1SCC(F)F ZINC000134997534 1123704983 /nfs/dbraw/zinc/70/49/83/1123704983.db2.gz KQHPAJRTHQBSDE-UHFFFAOYSA-N -1 1 363.842 4.363 20 0 FIADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000615252139 1123976199 /nfs/dbraw/zinc/97/61/99/1123976199.db2.gz PGQPIPRWTHVBTO-CYBMUJFWSA-N -1 1 367.751 4.061 20 0 FIADMM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)c1 ZINC000615385601 1123999266 /nfs/dbraw/zinc/99/92/66/1123999266.db2.gz YSFZXAOLWKXDMN-AWEZNQCLSA-N -1 1 354.475 4.133 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000615394273 1124000757 /nfs/dbraw/zinc/00/07/57/1124000757.db2.gz VZZXIBAICSSZHA-XIKOKIGWSA-N -1 1 370.474 4.128 20 0 FIADMM O=C(Nc1cccc(Oc2cccnn2)c1)c1cc2ccccc2cc1[O-] ZINC000081740528 1124133297 /nfs/dbraw/zinc/13/32/97/1124133297.db2.gz KPFAVLFJVFILSO-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000081944487 1124213136 /nfs/dbraw/zinc/21/31/36/1124213136.db2.gz FTGCNTAHFUSRGK-UHFFFAOYSA-N -1 1 352.409 4.341 20 0 FIADMM CCn1c(C2CCN(C(=O)C[C@@H](C)C3CCCCC3)CC2)n[n-]c1=S ZINC000068452665 1124248638 /nfs/dbraw/zinc/24/86/38/1124248638.db2.gz IZUQTECZEKWWQC-CQSZACIVSA-N -1 1 364.559 4.273 20 0 FIADMM O=C(Nc1ncc(-c2ccccn2)s1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672100728 1124553691 /nfs/dbraw/zinc/55/36/91/1124553691.db2.gz CXKWSMYZVYVHGJ-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)oc1C ZINC000060554347 1124573566 /nfs/dbraw/zinc/57/35/66/1124573566.db2.gz IHKQYGUEAGEMCE-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc([O-])c(Cl)c1 ZINC000111666528 1124922118 /nfs/dbraw/zinc/92/21/18/1124922118.db2.gz HHTXBYVWEIRWRD-UHFFFAOYSA-N -1 1 360.772 4.411 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1Cl ZINC000008675656 1125034734 /nfs/dbraw/zinc/03/47/34/1125034734.db2.gz OKVWVWTZUOGPOS-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM CCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000069649742 1125085614 /nfs/dbraw/zinc/08/56/14/1125085614.db2.gz BBGMEZNVAVMZME-UHFFFAOYSA-N -1 1 374.506 4.106 20 0 FIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000763505172 1125289865 /nfs/dbraw/zinc/28/98/65/1125289865.db2.gz RCCIEZKWHFGPPQ-UHFFFAOYSA-N -1 1 373.474 4.405 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c(Cl)c1 ZINC000763508427 1125300030 /nfs/dbraw/zinc/30/00/30/1125300030.db2.gz KDAMYGPPQMJRKO-UHFFFAOYSA-N -1 1 370.261 4.059 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911179 212035835 /nfs/dbraw/zinc/03/58/35/212035835.db2.gz IGLOQTSNOYQPQW-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc([O-])c(Cl)c1 ZINC000060132657 212018955 /nfs/dbraw/zinc/01/89/55/212018955.db2.gz SSAFBGSUAFMARX-KPKJPENVSA-N -1 1 358.850 4.378 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000016101243 220178958 /nfs/dbraw/zinc/17/89/58/220178958.db2.gz UEHOIUZZJOBTQN-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000071972458 221391048 /nfs/dbraw/zinc/39/10/48/221391048.db2.gz HTEOTEFIOIYGFB-LLVKDONJSA-N -1 1 351.374 4.059 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c2ccccc12 ZINC000072027120 221397552 /nfs/dbraw/zinc/39/75/52/221397552.db2.gz UBTDDOKTTFHHCU-UHFFFAOYSA-N -1 1 369.442 4.242 20 0 FIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000094870497 568153107 /nfs/dbraw/zinc/15/31/07/568153107.db2.gz NVVKPIPLQFRFID-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cs1 ZINC000007726362 568254321 /nfs/dbraw/zinc/25/43/21/568254321.db2.gz GZPLSXQLOAAFGI-UHFFFAOYSA-N -1 1 366.414 4.198 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000619198227 1125527242 /nfs/dbraw/zinc/52/72/42/1125527242.db2.gz GZGJTZWPYGZVOB-FZKQIMNGSA-N -1 1 374.868 4.015 20 0 FIADMM CC(C)CN(C)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000499654492 1125570710 /nfs/dbraw/zinc/57/07/10/1125570710.db2.gz CQFVTTOARZXPQR-UHFFFAOYSA-N -1 1 364.449 4.127 20 0 FIADMM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000152889017 1125675892 /nfs/dbraw/zinc/67/58/92/1125675892.db2.gz HMOVOYQVRPTCDN-UHFFFAOYSA-N -1 1 366.421 4.087 20 0 FIADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(Br)cc1 ZINC000049401985 1079522874 /nfs/dbraw/zinc/52/28/74/1079522874.db2.gz HUESXSYFRLNAFK-SECBINFHSA-N -1 1 354.631 4.299 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2c(Cl)oc3ccccc32)cc1 ZINC000683171878 1079799706 /nfs/dbraw/zinc/79/97/06/1079799706.db2.gz RPWGLOPHWCZRQL-MRXNPFEDSA-N -1 1 359.809 4.400 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2Cl)cc1 ZINC000683172077 1079801641 /nfs/dbraw/zinc/80/16/41/1079801641.db2.gz VNFWUQMECIGOKC-OAHLLOKOSA-N -1 1 354.233 4.308 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(C)c1 ZINC000471142078 1079856923 /nfs/dbraw/zinc/85/69/23/1079856923.db2.gz JHHKIHQOZVECRN-UHFFFAOYSA-N -1 1 357.834 4.295 20 0 FIADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000610193648 1079900184 /nfs/dbraw/zinc/90/01/84/1079900184.db2.gz CTLBTHAPGUMYQF-UHFFFAOYSA-N -1 1 353.534 4.462 20 0 FIADMM CC(C)(C)c1ncc(C(=O)[N-]c2nc(-c3ccsc3)ns2)s1 ZINC000109109463 1080046365 /nfs/dbraw/zinc/04/63/65/1080046365.db2.gz CWXJWJOFANMPIM-UHFFFAOYSA-N -1 1 350.494 4.273 20 0 FIADMM COc1cc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(C2CC2)cc1Cl ZINC000655384559 1080215149 /nfs/dbraw/zinc/21/51/49/1080215149.db2.gz YYBQISCXPYTSPG-UHFFFAOYSA-N -1 1 374.824 4.142 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000182932272 1080452940 /nfs/dbraw/zinc/45/29/40/1080452940.db2.gz MJQQFZSZSGICEE-UHFFFAOYSA-N -1 1 359.223 4.126 20 0 FIADMM CCO[C@H](C(=O)Nc1cc(C)cc(Br)c1[O-])c1ccccc1 ZINC000182931771 1080454229 /nfs/dbraw/zinc/45/42/29/1080454229.db2.gz CVNNIQDPKFJJAJ-INIZCTEOSA-N -1 1 364.239 4.179 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1F ZINC000007418778 1080455733 /nfs/dbraw/zinc/45/57/33/1080455733.db2.gz UKEVYVBEXQDIQO-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCn1c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)nc2cc(F)ccc21 ZINC000261437523 1080494722 /nfs/dbraw/zinc/49/47/22/1080494722.db2.gz YBYDCMSTJBVSIB-UHFFFAOYSA-N -1 1 372.347 4.002 20 0 FIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443457524 1080560325 /nfs/dbraw/zinc/56/03/25/1080560325.db2.gz YWDRCIJISHFOLR-UHFFFAOYSA-N -1 1 360.660 4.212 20 0 FIADMM CCOc1cc(-c2noc(-c3occc3C)n2)cc(Br)c1[O-] ZINC000109507738 1080589386 /nfs/dbraw/zinc/58/93/86/1080589386.db2.gz CWPKLRDOLYRPFJ-UHFFFAOYSA-N -1 1 365.183 4.172 20 0 FIADMM Cc1nc(-c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2)cs1 ZINC000579884728 1080612844 /nfs/dbraw/zinc/61/28/44/1080612844.db2.gz PMVOLVPGOKXAEA-UHFFFAOYSA-N -1 1 360.385 4.032 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@H](C)c2cccc(F)c2F)cnc1Cl ZINC001266391786 1080646793 /nfs/dbraw/zinc/64/67/93/1080646793.db2.gz WHWDDBMGTOXQSF-SECBINFHSA-N -1 1 360.738 4.291 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000094078254 1080741509 /nfs/dbraw/zinc/74/15/09/1080741509.db2.gz VIFHQPJRYWDXSG-BBRMVZONSA-N -1 1 360.454 4.144 20 0 FIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000430385868 1080852240 /nfs/dbraw/zinc/85/22/40/1080852240.db2.gz MPHGMGDKELSUCK-UHFFFAOYSA-N -1 1 365.323 4.401 20 0 FIADMM Cc1cc(Br)c(CNC(=O)c2c([O-])cccc2Cl)s1 ZINC001167232164 1080880355 /nfs/dbraw/zinc/88/03/55/1080880355.db2.gz TTXYVKJWJSAAAQ-UHFFFAOYSA-N -1 1 360.660 4.108 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCc4cccnc4)cc3)n2)c(F)c1 ZINC000683591773 1081178673 /nfs/dbraw/zinc/17/86/73/1081178673.db2.gz AHAFDYRIIWAYME-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM Cc1ccc(S[C@H](C(=O)Nc2c[n-][nH]c2=O)c2ccccc2)c(C)c1 ZINC001648816482 1081237607 /nfs/dbraw/zinc/23/76/07/1081237607.db2.gz WFKVGRPKXHXCPS-KRWDZBQOSA-N -1 1 353.447 4.204 20 0 FIADMM Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3[O-])c3c2CCCC3)cc1 ZINC001648846827 1081288899 /nfs/dbraw/zinc/28/88/99/1081288899.db2.gz FOOHKLQQPJFGLT-UHFFFAOYSA-N -1 1 365.408 4.157 20 0 FIADMM CSc1ccncc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000683708041 1081418830 /nfs/dbraw/zinc/41/88/30/1081418830.db2.gz LXEZZJXQYKCKCM-UHFFFAOYSA-N -1 1 363.291 4.052 20 0 FIADMM CC[C@@H](C)c1nc(C)c(Cc2nc(-c3ccc([O-])c(F)c3)no2)c(C)n1 ZINC000656013540 1081455160 /nfs/dbraw/zinc/45/51/60/1081455160.db2.gz NYTXSJSRZYHYLW-SNVBAGLBSA-N -1 1 356.401 4.092 20 0 FIADMM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1c(F)ccc([O-])c1F ZINC000580378252 1081912458 /nfs/dbraw/zinc/91/24/58/1081912458.db2.gz BQLSLBCOORDWRU-LLVKDONJSA-N -1 1 355.793 4.291 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000580498804 1081980472 /nfs/dbraw/zinc/98/04/72/1081980472.db2.gz BIZVBAWMBOJGTR-KRWDZBQOSA-N -1 1 355.743 4.035 20 0 FIADMM COc1ccc(-c2nnc([N-]C(=O)c3coc(C4CCCC4)n3)s2)cc1 ZINC000548111588 1082013300 /nfs/dbraw/zinc/01/33/00/1082013300.db2.gz UICCPKQPJIDAOK-UHFFFAOYSA-N -1 1 370.434 4.112 20 0 FIADMM Cc1oc([C@@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000580582108 1082026925 /nfs/dbraw/zinc/02/69/25/1082026925.db2.gz MEURZYITPYGHHZ-LLVKDONJSA-N -1 1 371.355 4.420 20 0 FIADMM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000684095131 1082188723 /nfs/dbraw/zinc/18/87/23/1082188723.db2.gz CKBNGHLXLMLSBF-UHFFFAOYSA-N -1 1 357.353 4.105 20 0 FIADMM O=C([O-])c1nc(-c2ccccc2)oc1CN(CCC(F)(F)F)CC1CC1 ZINC000580898499 1082210713 /nfs/dbraw/zinc/21/07/13/1082210713.db2.gz ZYNCCPJZCXNVCR-UHFFFAOYSA-N -1 1 368.355 4.204 20 0 FIADMM O=C(Cc1ccc2n[nH]cc2c1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167444837 1082299481 /nfs/dbraw/zinc/29/94/81/1082299481.db2.gz NVOMDUFJSRCVBX-UHFFFAOYSA-N -1 1 351.793 4.256 20 0 FIADMM Cc1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c2nccn2c1 ZINC001167445016 1082300260 /nfs/dbraw/zinc/30/02/60/1082300260.db2.gz RBZFKRKLGADFQR-UHFFFAOYSA-N -1 1 351.793 4.407 20 0 FIADMM O=C(OCc1ccccc1Oc1cccnc1)c1c([O-])cc(F)cc1F ZINC000728335952 1082562932 /nfs/dbraw/zinc/56/29/32/1082562932.db2.gz GPUKYDAWPBGPOF-UHFFFAOYSA-N -1 1 357.312 4.215 20 0 FIADMM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@@H](c1ccccc1)C(F)F ZINC000581613813 1082710706 /nfs/dbraw/zinc/71/07/06/1082710706.db2.gz XDVACPQUGDUJGJ-AWEZNQCLSA-N -1 1 361.360 4.050 20 0 FIADMM O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1ccc([O-])c(F)c1 ZINC000684339264 1082714191 /nfs/dbraw/zinc/71/41/91/1082714191.db2.gz BROKCIXZBZYVOF-UHFFFAOYSA-N -1 1 365.408 4.322 20 0 FIADMM C[C@]1(Cc2ccccc2Cl)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000656758934 1082752074 /nfs/dbraw/zinc/75/20/74/1082752074.db2.gz QIDVCRSNOSZQHR-QGZVFWFLSA-N -1 1 350.871 4.092 20 0 FIADMM CCN(C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)C(C)C ZINC000430651379 1082855224 /nfs/dbraw/zinc/85/52/24/1082855224.db2.gz FQKXMRKLMBSBHF-UHFFFAOYSA-N -1 1 350.418 4.191 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(Cl)c1 ZINC000127296021 1082902421 /nfs/dbraw/zinc/90/24/21/1082902421.db2.gz PDKYERNNQSMZAV-UHFFFAOYSA-N -1 1 368.861 4.189 20 0 FIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000548282983 1082958331 /nfs/dbraw/zinc/95/83/31/1082958331.db2.gz IIDGICFJVPJODZ-UHFFFAOYSA-N -1 1 374.437 4.270 20 0 FIADMM CN(CCCC(=O)[O-])Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000430668221 1082969149 /nfs/dbraw/zinc/96/91/49/1082969149.db2.gz HHBBOZBUXWYLKA-UHFFFAOYSA-N -1 1 358.385 4.126 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cccc(Cl)c1Cl ZINC000431160391 1083357174 /nfs/dbraw/zinc/35/71/74/1083357174.db2.gz ALIPTUVPNGYGDS-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2sc(C)cc2C)c1 ZINC000431164433 1083361259 /nfs/dbraw/zinc/36/12/59/1083361259.db2.gz WKKSINBBVBUCLG-UHFFFAOYSA-N -1 1 357.884 4.412 20 0 FIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000471942617 1083371077 /nfs/dbraw/zinc/37/10/77/1083371077.db2.gz NUVLTROJQWEYAA-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000009703080 1083430420 /nfs/dbraw/zinc/43/04/20/1083430420.db2.gz ORXCUHWYUDEMRN-UHFFFAOYSA-N -1 1 362.842 4.130 20 0 FIADMM C[C@H](c1nc2ccccc2s1)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000584474613 1083727258 /nfs/dbraw/zinc/72/72/58/1083727258.db2.gz ACLOHHVNEATMPD-CYBMUJFWSA-N -1 1 356.447 4.066 20 0 FIADMM O=C(Nc1nc(-c2ccco2)cs1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000643979689 1084091978 /nfs/dbraw/zinc/09/19/78/1084091978.db2.gz FVTQQLKSKHZQES-UHFFFAOYSA-N -1 1 354.309 4.380 20 0 FIADMM Cc1ccc(-c2ncc(C(=O)[N-]c3nnc(C(F)F)s3)s2)c(C)c1 ZINC000150070948 1084115180 /nfs/dbraw/zinc/11/51/80/1084115180.db2.gz ZWSKVCFRXHMWDV-UHFFFAOYSA-N -1 1 366.418 4.468 20 0 FIADMM CCCc1nc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)co1 ZINC000511394771 1084191676 /nfs/dbraw/zinc/19/16/76/1084191676.db2.gz BAFFBRUNLKEFQG-CQSZACIVSA-N -1 1 368.462 4.199 20 0 FIADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC001143431080 1084315895 /nfs/dbraw/zinc/31/58/95/1084315895.db2.gz FTXUYQZLQLVPGP-UHFFFAOYSA-N -1 1 370.792 4.072 20 0 FIADMM CC(C)[C@@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000728638593 1084339441 /nfs/dbraw/zinc/33/94/41/1084339441.db2.gz MCYYRHSBMHHBTC-LJQANCHMSA-N -1 1 366.413 4.372 20 0 FIADMM Cc1ccccc1-c1noc([C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)n1 ZINC000582031332 1084491814 /nfs/dbraw/zinc/49/18/14/1084491814.db2.gz DOYHNZCTUHJCMD-VIFPVBQESA-N -1 1 364.377 4.332 20 0 FIADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CC)s2)cc1 ZINC000121772462 1084678751 /nfs/dbraw/zinc/67/87/51/1084678751.db2.gz YEFYLIHUPVIWKP-HNNXBMFYSA-N -1 1 355.463 4.009 20 0 FIADMM O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000684779736 1084725290 /nfs/dbraw/zinc/72/52/90/1084725290.db2.gz ZGCMOOVYSSSFCJ-MQMHXKEQSA-N -1 1 353.315 4.226 20 0 FIADMM CCOc1cc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc(Cl)c1[O-] ZINC000655384488 1084783823 /nfs/dbraw/zinc/78/38/23/1084783823.db2.gz WQTHKPWLNULIOC-ZDUSSCGKSA-N -1 1 367.873 4.008 20 0 FIADMM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1 ZINC000174749113 1084817683 /nfs/dbraw/zinc/81/76/83/1084817683.db2.gz DWQLLUIIFBNMSR-UHFFFAOYSA-N -1 1 360.822 4.328 20 0 FIADMM Cc1c(C(=O)NCc2n[n-]c(=S)n2C(C)C)sc2cccc(F)c12 ZINC000066639489 1084836141 /nfs/dbraw/zinc/83/61/41/1084836141.db2.gz UPVNIKWPCJSTQZ-UHFFFAOYSA-N -1 1 364.471 4.114 20 0 FIADMM CC(C)n1c(CNC(=O)c2ccc(-c3ccccc3)cc2)n[n-]c1=S ZINC000066639540 1084836470 /nfs/dbraw/zinc/83/64/70/1084836470.db2.gz IQFXBUQSFBPHBX-UHFFFAOYSA-N -1 1 352.463 4.119 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccco1)Cc1ccco1 ZINC000684870329 1084996947 /nfs/dbraw/zinc/99/69/47/1084996947.db2.gz ACQJTLQODGMYLP-UHFFFAOYSA-N -1 1 365.307 4.440 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873771 1085011220 /nfs/dbraw/zinc/01/12/20/1085011220.db2.gz KUYKCJMGTTUJRH-GOSISDBHSA-N -1 1 372.346 4.325 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCSC2(CCCCC2)C1 ZINC000684876315 1085018347 /nfs/dbraw/zinc/01/83/47/1085018347.db2.gz VVYIAACSCSMBEJ-UHFFFAOYSA-N -1 1 359.413 4.303 20 0 FIADMM O=C(CC1CCC1)Nc1cc([O-])c(Br)cc1Br ZINC000431449247 1085135516 /nfs/dbraw/zinc/13/55/16/1085135516.db2.gz MMGZRPYQKOHASC-UHFFFAOYSA-N -1 1 363.049 4.046 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432196411 1085203031 /nfs/dbraw/zinc/20/30/31/1085203031.db2.gz PEUIZAIMXGLUBR-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccc(Cl)cc1Br)c1cccs1 ZINC000125609536 1085361026 /nfs/dbraw/zinc/36/10/26/1085361026.db2.gz VWGPAYXDDPYWMM-GFCCVEGCSA-N -1 1 374.687 4.470 20 0 FIADMM C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccc(OC(F)(F)F)c1 ZINC000756724229 1085548967 /nfs/dbraw/zinc/54/89/67/1085548967.db2.gz QSNXHWJREGHJRO-MRVPVSSYSA-N -1 1 366.311 4.011 20 0 FIADMM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2sccc2Cl)cc1 ZINC001211555433 1085571015 /nfs/dbraw/zinc/57/10/15/1085571015.db2.gz NQVZLYSHBGMCCH-NSHDSACASA-N -1 1 361.941 4.169 20 0 FIADMM CC(C)Oc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000078266729 1085672088 /nfs/dbraw/zinc/67/20/88/1085672088.db2.gz QYECUQGTKSNLOL-UHFFFAOYSA-N -1 1 362.389 4.101 20 0 FIADMM CN(CCC(C)(C)C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001627454662 1085718036 /nfs/dbraw/zinc/71/80/36/1085718036.db2.gz OBGMHAXOZFDSJW-UHFFFAOYSA-N -1 1 365.271 4.211 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c(C)c1 ZINC000511209509 1085847746 /nfs/dbraw/zinc/84/77/46/1085847746.db2.gz PDEIKHNDOLEIOE-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM Cc1ccc(C)c(OC2CCN(Cc3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC000582908993 1085912290 /nfs/dbraw/zinc/91/22/90/1085912290.db2.gz DQEZCQJLAULYBG-UHFFFAOYSA-N -1 1 357.425 4.184 20 0 FIADMM O=C([O-])c1cccc2c1CN(CCOc1ccc(Cl)cc1Cl)CC2 ZINC000652488047 1086115270 /nfs/dbraw/zinc/11/52/70/1086115270.db2.gz CRDHQQOWDUNLIA-UHFFFAOYSA-N -1 1 366.244 4.129 20 0 FIADMM O=C([O-])CC[C@@H](CNCc1csc(Cl)c1Cl)C(F)(F)F ZINC000663261549 1086342391 /nfs/dbraw/zinc/34/23/91/1086342391.db2.gz KVBSAMMSEWYEHB-ZETCQYMHSA-N -1 1 350.189 4.188 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c2ccccc12 ZINC000647279181 1086378258 /nfs/dbraw/zinc/37/82/58/1086378258.db2.gz YWLSNRTUPKUDPQ-UHFFFAOYSA-N -1 1 373.478 4.194 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092074926 1086381349 /nfs/dbraw/zinc/38/13/49/1086381349.db2.gz CCYDISDBAOQEIL-UHFFFAOYSA-N -1 1 363.816 4.006 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CC(C)(C)c4ccccc43)nc2)[n-]c(=O)c1C ZINC000154877843 1086445058 /nfs/dbraw/zinc/44/50/58/1086445058.db2.gz RXFCNBQHYRGDJS-GOSISDBHSA-N -1 1 360.461 4.283 20 0 FIADMM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1cncc(F)c1 ZINC001626241679 1086481709 /nfs/dbraw/zinc/48/17/09/1086481709.db2.gz AEMKAIBUBWWIBM-MRVPVSSYSA-N -1 1 363.166 4.497 20 0 FIADMM C[C@](CO)(NCc1cccc([O-])c1Cl)c1cc(Cl)cc(Cl)c1 ZINC000449669444 1086702031 /nfs/dbraw/zinc/70/20/31/1086702031.db2.gz NAGLRMGTDDIXGD-MRXNPFEDSA-N -1 1 360.668 4.350 20 0 FIADMM Cc1ccsc1-c1nsc(NC([O-])=Cc2csc3ccccc23)n1 ZINC000472287950 1086709110 /nfs/dbraw/zinc/70/91/10/1086709110.db2.gz PTMSRXDXVMPPPI-UHFFFAOYSA-N -1 1 371.512 4.393 20 0 FIADMM CC(C)Cc1ccc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1 ZINC000261385727 1086831354 /nfs/dbraw/zinc/83/13/54/1086831354.db2.gz BNIYIMKWWYOZQO-UHFFFAOYSA-N -1 1 365.260 4.267 20 0 FIADMM C[C@H]1CCc2onc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4)s3)c2C1 ZINC000433848599 1086900655 /nfs/dbraw/zinc/90/06/55/1086900655.db2.gz KVJKLHZOVAZSAN-VIFPVBQESA-N -1 1 374.853 4.224 20 0 FIADMM O=C(Cc1ccc(Br)c(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000151751517 1087236727 /nfs/dbraw/zinc/23/67/27/1087236727.db2.gz HCCYOKQJPQOQFC-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cc2ccccc2o1 ZINC000084936158 1087364829 /nfs/dbraw/zinc/36/48/29/1087364829.db2.gz JFVXSNDFDHVIAU-AWEZNQCLSA-N -1 1 363.435 4.087 20 0 FIADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)ccc12 ZINC000093909167 1087459360 /nfs/dbraw/zinc/45/93/60/1087459360.db2.gz KMZVKAULXUBPQZ-UHFFFAOYSA-N -1 1 362.263 4.040 20 0 FIADMM O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000094152995 1087465419 /nfs/dbraw/zinc/46/54/19/1087465419.db2.gz HPXIUEPBCIUFAS-UHFFFAOYSA-N -1 1 361.438 4.196 20 0 FIADMM CSc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000039549015 1087504079 /nfs/dbraw/zinc/50/40/79/1087504079.db2.gz RYWYQSKPWLNPRF-UHFFFAOYSA-N -1 1 362.505 4.030 20 0 FIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@H]1c1ccccc1 ZINC000198642083 1087513673 /nfs/dbraw/zinc/51/36/73/1087513673.db2.gz DYXQWUJJAVPBMA-AWEZNQCLSA-N -1 1 370.503 4.033 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)F)cc1 ZINC000424073108 1087746661 /nfs/dbraw/zinc/74/66/61/1087746661.db2.gz ZXZUANKHUWZBQN-UHFFFAOYSA-N -1 1 355.406 4.460 20 0 FIADMM CN(C)Cc1cnc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)s1 ZINC000504722744 1087821681 /nfs/dbraw/zinc/82/16/81/1087821681.db2.gz WRZSNAPDGOJCDG-FMIVXFBMSA-N -1 1 373.503 4.220 20 0 FIADMM C[C@@H]1CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424419320 1087971210 /nfs/dbraw/zinc/97/12/10/1087971210.db2.gz OGFJRNIAYZAGRF-NOZJJQNGSA-N -1 1 369.305 4.409 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1Cl ZINC000424411520 1087981641 /nfs/dbraw/zinc/98/16/41/1087981641.db2.gz KTEQBORCJWBVAC-OTYXRUKQSA-N -1 1 360.679 4.096 20 0 FIADMM CCOc1cc(C(=O)N(C)c2cccc(SC)c2)cc(Cl)c1[O-] ZINC000186763313 1087983083 /nfs/dbraw/zinc/98/30/83/1087983083.db2.gz GZYDRUYHXXOTBK-UHFFFAOYSA-N -1 1 351.855 4.443 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)cc(Cl)c1[O-] ZINC000186840549 1088005192 /nfs/dbraw/zinc/00/51/92/1088005192.db2.gz LWBCCXTVQALOBS-CHWSQXEVSA-N -1 1 357.903 4.191 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H](c2cccnc2)C(C)C)cc(Cl)c1[O-] ZINC000186854829 1088020837 /nfs/dbraw/zinc/02/08/37/1088020837.db2.gz BRHLPQRDEZZMLS-OAHLLOKOSA-N -1 1 362.857 4.009 20 0 FIADMM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1cccc(Cl)c1 ZINC000505299092 1088331194 /nfs/dbraw/zinc/33/11/94/1088331194.db2.gz GKJAVQJMKRHLHO-UHFFFAOYSA-N -1 1 360.822 4.328 20 0 FIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000031669243 1088656331 /nfs/dbraw/zinc/65/63/31/1088656331.db2.gz DYRNOPQHRTTWEP-UHFFFAOYSA-N -1 1 360.479 4.205 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1OCC ZINC000031668385 1088656430 /nfs/dbraw/zinc/65/64/30/1088656430.db2.gz GHGNZJDGNXPNIX-UHFFFAOYSA-N -1 1 369.870 4.247 20 0 FIADMM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181207355 1088785300 /nfs/dbraw/zinc/78/53/00/1088785300.db2.gz KMOZDSWDYUZGIM-UHFFFAOYSA-N -1 1 361.376 4.337 20 0 FIADMM Cc1nc2ccccc2n1CCCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790601 1088861599 /nfs/dbraw/zinc/86/15/99/1088861599.db2.gz CJSUOQNNXUGBJG-UHFFFAOYSA-N -1 1 363.461 4.229 20 0 FIADMM CC(C)(C)c1ccc(OCCCN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000659791179 1088862297 /nfs/dbraw/zinc/86/22/97/1088862297.db2.gz VOWKWLSINVFLHB-UHFFFAOYSA-N -1 1 353.462 4.467 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c(C)c1 ZINC000434634490 1088880356 /nfs/dbraw/zinc/88/03/56/1088880356.db2.gz RZFIZVPLEIJMIC-UHFFFAOYSA-N -1 1 363.479 4.210 20 0 FIADMM CCOC(=O)c1c[nH]c(NC(=O)c2cc(-c3ccccc3)ccc2Cl)n1 ZINC000510003342 1088979163 /nfs/dbraw/zinc/97/91/63/1088979163.db2.gz UMWVZFKDOWOKPI-UHFFFAOYSA-N -1 1 369.808 4.159 20 0 FIADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(-c3ccccc3)ccc2Cl)n1 ZINC000510003342 1088979164 /nfs/dbraw/zinc/97/91/64/1088979164.db2.gz UMWVZFKDOWOKPI-UHFFFAOYSA-N -1 1 369.808 4.159 20 0 FIADMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613664063 1089232360 /nfs/dbraw/zinc/23/23/60/1089232360.db2.gz BQIYBNREYOHNGN-LBPRGKRZSA-N -1 1 371.824 4.150 20 0 FIADMM C[C@@H]1CCc2sc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cc2C1 ZINC000613664250 1089233626 /nfs/dbraw/zinc/23/36/26/1089233626.db2.gz KOUXJBUXXOXZAL-LLVKDONJSA-N -1 1 353.447 4.221 20 0 FIADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000545369368 1089263775 /nfs/dbraw/zinc/26/37/75/1089263775.db2.gz FSPGAYIGMUUKGM-UHFFFAOYSA-N -1 1 363.504 4.064 20 0 FIADMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668098 1089276003 /nfs/dbraw/zinc/27/60/03/1089276003.db2.gz SOWRUAJVDUIYCC-CQSZACIVSA-N -1 1 365.433 4.313 20 0 FIADMM CC(C)c1scnc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000377363107 1089279209 /nfs/dbraw/zinc/27/92/09/1089279209.db2.gz KMYJQIKKTDKCRW-UHFFFAOYSA-N -1 1 373.478 4.099 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2-n2cc(C)cn2)cc1 ZINC000435141956 1089343072 /nfs/dbraw/zinc/34/30/72/1089343072.db2.gz SUOBJONXTFXUSN-UHFFFAOYSA-N -1 1 373.503 4.012 20 0 FIADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(-c2ccccc2Cl)cs1 ZINC000514672489 1089345363 /nfs/dbraw/zinc/34/53/63/1089345363.db2.gz LOQABGUJIJFVOA-VXGBXAGGSA-N -1 1 350.871 4.149 20 0 FIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000515064400 1089749893 /nfs/dbraw/zinc/74/98/93/1089749893.db2.gz NLZYBZMKLGPLAT-UHFFFAOYSA-N -1 1 363.438 4.261 20 0 FIADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000314539975 1089949658 /nfs/dbraw/zinc/94/96/58/1089949658.db2.gz CSKPTDOLOOTHDE-GFCCVEGCSA-N -1 1 366.255 4.394 20 0 FIADMM CCCOc1c(Cl)cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OCC ZINC000584593800 1090636484 /nfs/dbraw/zinc/63/64/84/1090636484.db2.gz NBEJALNRINLSLT-ZFWWWQNUSA-N -1 1 369.889 4.070 20 0 FIADMM CC(C)(C)OC[C@H](NCc1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000417588855 1090934038 /nfs/dbraw/zinc/93/40/38/1090934038.db2.gz CZVUHZXCRHOYPV-HNNXBMFYSA-N -1 1 367.898 4.426 20 0 FIADMM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1OC ZINC000417602489 1090939486 /nfs/dbraw/zinc/93/94/86/1090939486.db2.gz OIWAJPBVFGBSLP-HNNXBMFYSA-N -1 1 363.841 4.053 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](NCc2cc(Cl)ccc2OC(F)F)c2ccccc21 ZINC000417624771 1090947347 /nfs/dbraw/zinc/94/73/47/1090947347.db2.gz LBKUZTHWRMAPOO-CABCVRRESA-N -1 1 367.779 4.344 20 0 FIADMM Cc1ccc(C[C@H](NCc2cc3cc(C)c(C)cc3o2)C(=O)[O-])cc1C ZINC000417660077 1090957179 /nfs/dbraw/zinc/95/71/79/1090957179.db2.gz ZQGHUNNRUOWGKK-FQEVSTJZSA-N -1 1 351.446 4.452 20 0 FIADMM CCc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417701454 1090965497 /nfs/dbraw/zinc/96/54/97/1090965497.db2.gz JSBGDUHJFRXUIR-UHFFFAOYSA-N -1 1 350.418 4.256 20 0 FIADMM CCCC[C@H](CC)CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042841953 1091042478 /nfs/dbraw/zinc/04/24/78/1091042478.db2.gz HJYCFFCFKIHNSW-INIZCTEOSA-N -1 1 360.498 4.213 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc(C(C)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000432133631 1091716641 /nfs/dbraw/zinc/71/66/41/1091716641.db2.gz OEXJSVKBAYQPKR-UHFFFAOYSA-N -1 1 370.403 4.007 20 0 FIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1=CCCCC1 ZINC000187100123 1091815155 /nfs/dbraw/zinc/81/51/55/1091815155.db2.gz NZYRMKSGICMSHM-UHFFFAOYSA-N -1 1 374.437 4.065 20 0 FIADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc(CC(F)(F)F)cc1 ZINC000432642171 1092022804 /nfs/dbraw/zinc/02/28/04/1092022804.db2.gz LWZWNTYHWQHRNY-UHFFFAOYSA-N -1 1 354.353 4.074 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)c(C(F)(F)F)c2)[n-]c1=O ZINC000432696163 1092122822 /nfs/dbraw/zinc/12/28/22/1092122822.db2.gz SPNFVGYTOZELHX-TWGQIWQCSA-N -1 1 370.302 4.077 20 0 FIADMM Cc1ccccc1[C@@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])CCO1 ZINC000520824309 1092297579 /nfs/dbraw/zinc/29/75/79/1092297579.db2.gz UNIJKVXYIMNZKM-SFHVURJKSA-N -1 1 367.470 4.481 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3sc(C(C)(C)C)nc3C)[nH][n-]2)s1 ZINC000500843968 1092636925 /nfs/dbraw/zinc/63/69/25/1092636925.db2.gz KJGYNJFFMBFQCL-UHFFFAOYSA-N -1 1 360.508 4.183 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000521526858 1092749115 /nfs/dbraw/zinc/74/91/15/1092749115.db2.gz PUPWBQIDMKZPTP-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])c1ccc(CN2CCS[C@H]3CCCC[C@H]32)c(Br)c1 ZINC000521634251 1092808104 /nfs/dbraw/zinc/80/81/04/1092808104.db2.gz JRHWCXBHKSCTJN-CABCVRRESA-N -1 1 370.312 4.007 20 0 FIADMM O=C([O-])c1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c(Br)c1 ZINC000521634253 1092808315 /nfs/dbraw/zinc/80/83/15/1092808315.db2.gz JRHWCXBHKSCTJN-HUUCEWRRSA-N -1 1 370.312 4.007 20 0 FIADMM COc1cc(C(=O)NCCCCCOC2CCCCC2)cc(Cl)c1[O-] ZINC000442974543 1092883308 /nfs/dbraw/zinc/88/33/08/1092883308.db2.gz PPDQEDXETSXUIS-UHFFFAOYSA-N -1 1 369.889 4.304 20 0 FIADMM COc1cc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)cc(Cl)c1[O-] ZINC000442960707 1092889118 /nfs/dbraw/zinc/88/91/18/1092889118.db2.gz AOJOQPVWUMFABB-UHFFFAOYSA-N -1 1 371.767 4.259 20 0 FIADMM C[C@@H]1CCc2c(sc3nc(-c4ccnc(N5CCCC5)c4)[n-]c(=O)c32)C1 ZINC000614106031 1092932769 /nfs/dbraw/zinc/93/27/69/1092932769.db2.gz SFKSXDIRLYXERM-GFCCVEGCSA-N -1 1 366.490 4.184 20 0 FIADMM COc1ccc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)cc1 ZINC000614111839 1092939153 /nfs/dbraw/zinc/93/91/53/1092939153.db2.gz MBEDWEBAEZBJFE-UHFFFAOYSA-N -1 1 352.390 4.466 20 0 FIADMM COc1cc(C(=O)NCCc2c(C)oc3ccccc32)cc(Cl)c1[O-] ZINC000443139963 1092958326 /nfs/dbraw/zinc/95/83/26/1092958326.db2.gz XFWZPFHXQURULB-UHFFFAOYSA-N -1 1 359.809 4.081 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1 ZINC000521901632 1092962297 /nfs/dbraw/zinc/96/22/97/1092962297.db2.gz SXXUKCXXYVMGCV-UHFFFAOYSA-N -1 1 374.506 4.267 20 0 FIADMM COc1cc(-c2nc(-c3cncc4ccccc43)no2)cc(Cl)c1[O-] ZINC000443221617 1092996492 /nfs/dbraw/zinc/99/64/92/1092996492.db2.gz JNXYIMYENGXCJV-UHFFFAOYSA-N -1 1 353.765 4.319 20 0 FIADMM COc1cc(-c2nc(Cc3ccc(F)cc3Cl)no2)cc(Cl)c1[O-] ZINC000443223700 1092996830 /nfs/dbraw/zinc/99/68/30/1092996830.db2.gz KOEIBSYEIYNDJB-UHFFFAOYSA-N -1 1 369.179 4.488 20 0 FIADMM O=C(c1cc(Nc2c([O-])cc(F)cc2F)ccc1F)N1CCCCC1 ZINC001211876858 1093025085 /nfs/dbraw/zinc/02/50/85/1093025085.db2.gz MWFCKGSSKBJWII-UHFFFAOYSA-N -1 1 350.340 4.179 20 0 FIADMM COc1cc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000443289793 1093035474 /nfs/dbraw/zinc/03/54/74/1093035474.db2.gz NWLNOOOWXSGJSI-ONGXEEELSA-N -1 1 365.779 4.153 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443399480 1093103697 /nfs/dbraw/zinc/10/36/97/1093103697.db2.gz MZEXIPYECLXOHR-UHFFFAOYSA-N -1 1 374.487 4.318 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)n1 ZINC000443400298 1093104604 /nfs/dbraw/zinc/10/46/04/1093104604.db2.gz QJZXNXBHPKJKTR-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM COCc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443402882 1093105751 /nfs/dbraw/zinc/10/57/51/1093105751.db2.gz JXRSCNCJYAVKCB-UHFFFAOYSA-N -1 1 374.487 4.066 20 0 FIADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000443404820 1093105762 /nfs/dbraw/zinc/10/57/62/1093105762.db2.gz USOKPPTUZKCKCA-UHFFFAOYSA-N -1 1 374.487 4.066 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC000443412534 1093114155 /nfs/dbraw/zinc/11/41/55/1093114155.db2.gz WLTMFOALMVRQLU-UHFFFAOYSA-N -1 1 359.369 4.213 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000443413564 1093115091 /nfs/dbraw/zinc/11/50/91/1093115091.db2.gz MJQIYHITDNXNSV-UHFFFAOYSA-N -1 1 370.430 4.073 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c([O-])c1 ZINC000729536382 1093149852 /nfs/dbraw/zinc/14/98/52/1093149852.db2.gz WPJQYFJTQUWPKI-UHFFFAOYSA-N -1 1 358.394 4.000 20 0 FIADMM O=C(Nc1ccccc1NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000093946882 1093252522 /nfs/dbraw/zinc/25/25/22/1093252522.db2.gz DCMADUGUQKUNSW-UHFFFAOYSA-N -1 1 350.349 4.036 20 0 FIADMM COc1cccc([O-])c1C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC001141789060 1093460405 /nfs/dbraw/zinc/46/04/05/1093460405.db2.gz CETQOQWTFQDAOR-UHFFFAOYSA-N -1 1 364.401 4.457 20 0 FIADMM COC(=O)[N-]C(=S)N(c1ccc(OC(C)C)cc1C)c1ccccc1N ZINC001211818325 1093708862 /nfs/dbraw/zinc/70/88/62/1093708862.db2.gz KOFQIDXVQZXBRC-UHFFFAOYSA-N -1 1 373.478 4.143 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Cl)c(F)c1Cl ZINC000473507202 1093890837 /nfs/dbraw/zinc/89/08/37/1093890837.db2.gz VOCDJXQEHSVKPS-UHFFFAOYSA-N -1 1 374.142 4.351 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433614047 1094021814 /nfs/dbraw/zinc/02/18/14/1094021814.db2.gz ZXQPSLVMLLXXBS-ZDUSSCGKSA-N -1 1 362.710 4.452 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1OC(F)F ZINC000513390524 1094093477 /nfs/dbraw/zinc/09/34/77/1094093477.db2.gz QLCWRDYYWYTJQQ-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM Cc1cc(F)ccc1C[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000664174475 1094097153 /nfs/dbraw/zinc/09/71/53/1094097153.db2.gz OMZIKYBXAWURIY-CYBMUJFWSA-N -1 1 366.440 4.352 20 0 FIADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC000647816337 1094134464 /nfs/dbraw/zinc/13/44/64/1094134464.db2.gz FURQXRNGLMKLKA-UHFFFAOYSA-N -1 1 374.347 4.021 20 0 FIADMM CCC[C@@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000262689215 1094141412 /nfs/dbraw/zinc/14/14/12/1094141412.db2.gz FLZHKOPRNOZVFU-CQSZACIVSA-N -1 1 352.228 4.052 20 0 FIADMM COC(=O)c1[n-]c(=N[C@@H](C)c2ccc(SC(C)C)cc2)sc1C ZINC000434084502 1094274530 /nfs/dbraw/zinc/27/45/30/1094274530.db2.gz XFRPFNLDXDOACO-NSHDSACASA-N -1 1 350.509 4.334 20 0 FIADMM CCOc1cc(-c2noc(-c3cncnc3C(C)C)n2)cc(Cl)c1[O-] ZINC000896205555 1094457642 /nfs/dbraw/zinc/45/76/42/1094457642.db2.gz RZHJBFHVJWGNBA-UHFFFAOYSA-N -1 1 360.801 4.075 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c(C)s1 ZINC000028260647 1094498745 /nfs/dbraw/zinc/49/87/45/1094498745.db2.gz WWAJCDFJEVJWQR-UHFFFAOYSA-N -1 1 351.493 4.487 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000116445941 1094513662 /nfs/dbraw/zinc/51/36/62/1094513662.db2.gz PLSZAHFGUHJNRE-UHFFFAOYSA-N -1 1 357.793 4.187 20 0 FIADMM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000281002711 1095469334 /nfs/dbraw/zinc/46/93/34/1095469334.db2.gz RLETWFUXLCPTCZ-LLVKDONJSA-N -1 1 359.376 4.092 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2coc(-c3c(F)cccc3F)n2)s1 ZINC000421448446 1095633753 /nfs/dbraw/zinc/63/37/53/1095633753.db2.gz HRRZCDIXTKWAGJ-UHFFFAOYSA-N -1 1 364.377 4.066 20 0 FIADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000444260631 1095913836 /nfs/dbraw/zinc/91/38/36/1095913836.db2.gz OWYCNUVVEGBHFS-UHFFFAOYSA-N -1 1 367.788 4.235 20 0 FIADMM Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000121200333 1095922023 /nfs/dbraw/zinc/92/20/23/1095922023.db2.gz YTSMQYTWXVGRFY-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](c2ccncc2)C(C)C)c1 ZINC000503855511 1096567588 /nfs/dbraw/zinc/56/75/88/1096567588.db2.gz DSRUYLZPOYOFKG-HNNXBMFYSA-N -1 1 363.255 4.236 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504027391 1096635962 /nfs/dbraw/zinc/63/59/62/1096635962.db2.gz WGMUOFAHLLLBEY-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CC[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(OC)cc1 ZINC000504420987 1096773769 /nfs/dbraw/zinc/77/37/69/1096773769.db2.gz CHCOSOYQNLFFED-CQSZACIVSA-N -1 1 365.433 4.313 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000436006116 1098644667 /nfs/dbraw/zinc/64/46/67/1098644667.db2.gz TXIPUZUVNDJTAX-UHFFFAOYSA-N -1 1 372.471 4.397 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(Cl)c1 ZINC000436154748 1098775962 /nfs/dbraw/zinc/77/59/62/1098775962.db2.gz OGFWRARYZUGDMQ-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000436169074 1098786844 /nfs/dbraw/zinc/78/68/44/1098786844.db2.gz ADKSFHYNSNSFEP-UHFFFAOYSA-N -1 1 366.364 4.286 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000436174924 1098801153 /nfs/dbraw/zinc/80/11/53/1098801153.db2.gz XISIPMBHNMWAJR-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM CCc1sc(-c2nnc(CSc3nc(CC)cc(=O)[n-]3)o2)cc1C ZINC000436200195 1098825932 /nfs/dbraw/zinc/82/59/32/1098825932.db2.gz WNRGKNMPOHTYCG-UHFFFAOYSA-N -1 1 362.480 4.019 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1 ZINC000436479956 1099041597 /nfs/dbraw/zinc/04/15/97/1099041597.db2.gz YANURAPFKYIEFO-UHFFFAOYSA-N -1 1 352.253 4.201 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000436484866 1099061652 /nfs/dbraw/zinc/06/16/52/1099061652.db2.gz FWLWZXKIUAYQBY-UHFFFAOYSA-N -1 1 351.780 4.286 20 0 FIADMM CCCc1noc2nc(CC)cc(C(=O)Nc3ccc([O-])c(Cl)c3)c12 ZINC000436514269 1099072715 /nfs/dbraw/zinc/07/27/15/1099072715.db2.gz OFRQNESEDGETLJ-UHFFFAOYSA-N -1 1 359.813 4.349 20 0 FIADMM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2ccccc2c1[O-] ZINC000436520284 1099077686 /nfs/dbraw/zinc/07/76/86/1099077686.db2.gz DTXNEJKQWXOUCK-SFHVURJKSA-N -1 1 363.413 4.356 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCC[C@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436522819 1099078409 /nfs/dbraw/zinc/07/84/09/1099078409.db2.gz XEWAJEQXMJIXIY-PWSUYJOCSA-N -1 1 352.818 4.167 20 0 FIADMM CCOc1ccc(OC)cc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436521988 1099079192 /nfs/dbraw/zinc/07/91/92/1099079192.db2.gz JFTVUOKMNSNEEC-UHFFFAOYSA-N -1 1 365.813 4.104 20 0 FIADMM CCCOc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000436531632 1099087651 /nfs/dbraw/zinc/08/76/51/1099087651.db2.gz DHENCWCWBSSWPM-UHFFFAOYSA-N -1 1 363.841 4.163 20 0 FIADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436534912 1099089342 /nfs/dbraw/zinc/08/93/42/1099089342.db2.gz JBWLHJWZTUAYCP-CYBMUJFWSA-N -1 1 362.267 4.166 20 0 FIADMM O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([O-])cc1F ZINC000436543737 1099109292 /nfs/dbraw/zinc/10/92/92/1099109292.db2.gz JEGFJFXXIRBXIH-MRXNPFEDSA-N -1 1 369.314 4.311 20 0 FIADMM COCCSc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436560555 1099115535 /nfs/dbraw/zinc/11/55/35/1099115535.db2.gz DOQDMEQULYOIJZ-LBPRGKRZSA-N -1 1 365.882 4.275 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000436571984 1099121417 /nfs/dbraw/zinc/12/14/17/1099121417.db2.gz YCIRAQYSLRZRTP-CQSZACIVSA-N -1 1 366.642 4.395 20 0 FIADMM COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000436593101 1099125009 /nfs/dbraw/zinc/12/50/09/1099125009.db2.gz AANYVVNAONTXGZ-OAQYLSRUSA-N -1 1 365.404 4.254 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000436609451 1099144356 /nfs/dbraw/zinc/14/43/56/1099144356.db2.gz LNPZETJDBRGYMC-YPAWHYETSA-N -1 1 373.452 4.190 20 0 FIADMM CC(C)(c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1)C(F)(F)F ZINC000436617035 1099149785 /nfs/dbraw/zinc/14/97/85/1099149785.db2.gz MBKIFCVATROUSW-UHFFFAOYSA-N -1 1 351.324 4.054 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000436679694 1099213330 /nfs/dbraw/zinc/21/33/30/1099213330.db2.gz GPKJJQFTBULBTI-UHFFFAOYSA-N -1 1 351.406 4.365 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2c(F)cccc2F)CC1 ZINC000436682595 1099216375 /nfs/dbraw/zinc/21/63/75/1099216375.db2.gz WJURWYTVHUAJOR-UHFFFAOYSA-N -1 1 351.780 4.344 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1OCCc2sccc21 ZINC000436690813 1099222906 /nfs/dbraw/zinc/22/29/06/1099222906.db2.gz VVFSDBHASXQAEQ-BLVKFPJESA-N -1 1 353.443 4.039 20 0 FIADMM [O-]c1ccc(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)c(F)c1 ZINC000436691446 1099224561 /nfs/dbraw/zinc/22/45/61/1099224561.db2.gz SNQOGODHXROUHH-UHFFFAOYSA-N -1 1 361.785 4.435 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCN(c2ccccc2F)CC1 ZINC000436699241 1099232530 /nfs/dbraw/zinc/23/25/30/1099232530.db2.gz PLKARVUUUBJCHD-UHFFFAOYSA-N -1 1 364.420 4.037 20 0 FIADMM COc1cc(Br)ccc1[C@@H]1CCCN1CCCCCC(=O)[O-] ZINC000629370058 1099247068 /nfs/dbraw/zinc/24/70/68/1099247068.db2.gz JAVWTHYMMZGSTG-HNNXBMFYSA-N -1 1 370.287 4.240 20 0 FIADMM O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccccc1[O-] ZINC000436719204 1099251172 /nfs/dbraw/zinc/25/11/72/1099251172.db2.gz OTSDDLSQRYEWKM-UHFFFAOYSA-N -1 1 363.851 4.301 20 0 FIADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436724059 1099255379 /nfs/dbraw/zinc/25/53/79/1099255379.db2.gz XIXPKZYIUALINQ-MRXNPFEDSA-N -1 1 361.825 4.040 20 0 FIADMM CC(C)Cn1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C1CC1 ZINC000436743727 1099264120 /nfs/dbraw/zinc/26/41/20/1099264120.db2.gz ZUCYCHUAODCVBF-UHFFFAOYSA-N -1 1 367.371 4.393 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1c1ccc(F)cc1 ZINC000436757303 1099273272 /nfs/dbraw/zinc/27/32/72/1099273272.db2.gz SGDSJECXQPEGIO-OAHLLOKOSA-N -1 1 364.214 4.271 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000436751515 1099286609 /nfs/dbraw/zinc/28/66/09/1099286609.db2.gz LVWFIYLSNXWRLD-ZDUSSCGKSA-N -1 1 367.342 4.255 20 0 FIADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753984 1099288769 /nfs/dbraw/zinc/28/87/69/1099288769.db2.gz WZGPGLSRYCCBEY-HNNXBMFYSA-N -1 1 352.356 4.117 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc2ccccc2c1[O-] ZINC000436778086 1099299065 /nfs/dbraw/zinc/29/90/65/1099299065.db2.gz FISDYDARSTVEFN-OAQYLSRUSA-N -1 1 354.409 4.460 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3nc(C(C)C)sc3c2)c1 ZINC000436786248 1099316120 /nfs/dbraw/zinc/31/61/20/1099316120.db2.gz IGKYHELJSJDRFT-UHFFFAOYSA-N -1 1 369.446 4.336 20 0 FIADMM Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436792849 1099324259 /nfs/dbraw/zinc/32/42/59/1099324259.db2.gz OTGLEGUGLGSYKC-UHFFFAOYSA-N -1 1 363.295 4.022 20 0 FIADMM Cc1nc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])c2)no1 ZINC000436795136 1099326440 /nfs/dbraw/zinc/32/64/40/1099326440.db2.gz XXEFGNYSLBQTHF-UHFFFAOYSA-N -1 1 363.295 4.022 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC(C)C)c1 ZINC000436796682 1099326545 /nfs/dbraw/zinc/32/65/45/1099326545.db2.gz XCYCWABPXHNELN-UHFFFAOYSA-N -1 1 362.813 4.044 20 0 FIADMM CC(C)Oc1ccc2ccccc2c1CNC(=O)c1ccc([O-])cc1F ZINC000436817499 1099330769 /nfs/dbraw/zinc/33/07/69/1099330769.db2.gz IDJXCSSMIZAWTK-UHFFFAOYSA-N -1 1 353.393 4.402 20 0 FIADMM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1ccc([O-])cc1F ZINC000436805469 1099335131 /nfs/dbraw/zinc/33/51/31/1099335131.db2.gz DDHREDGLHSOOHE-UHFFFAOYSA-N -1 1 350.340 4.052 20 0 FIADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@@H](C)Cc1ccsc1 ZINC000436842223 1099360188 /nfs/dbraw/zinc/36/01/88/1099360188.db2.gz WLMREJATYLLQIM-NSHDSACASA-N -1 1 368.296 4.310 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(N2CCCC2=O)c1 ZINC000436842882 1099361732 /nfs/dbraw/zinc/36/17/32/1099361732.db2.gz XYIGNXZDJUHZBM-OAHLLOKOSA-N -1 1 374.440 4.163 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2ncccc2Cl)CC1 ZINC000436847105 1099365233 /nfs/dbraw/zinc/36/52/33/1099365233.db2.gz DQEJCOSURFICDP-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM CCOc1nc(C(F)(F)F)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877030 1099377765 /nfs/dbraw/zinc/37/77/65/1099377765.db2.gz CUXWTMVJRSKAIA-UHFFFAOYSA-N -1 1 369.274 4.061 20 0 FIADMM COc1ccc(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)c([O-])c1 ZINC000436873108 1099384931 /nfs/dbraw/zinc/38/49/31/1099384931.db2.gz RIFMOWRXEMLMTR-UHFFFAOYSA-N -1 1 374.440 4.068 20 0 FIADMM CCCc1noc2nc(CC)cc(-c3nc(-c4ccc([O-])c(F)c4)no3)c12 ZINC000436876916 1099392111 /nfs/dbraw/zinc/39/21/11/1099392111.db2.gz CJRQNHIBPSWVKJ-UHFFFAOYSA-N -1 1 368.368 4.299 20 0 FIADMM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc([O-])cc1F ZINC000436877587 1099394087 /nfs/dbraw/zinc/39/40/87/1099394087.db2.gz AXXNUYHXWUFIGX-UHFFFAOYSA-N -1 1 353.315 4.359 20 0 FIADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436887366 1099405669 /nfs/dbraw/zinc/40/56/69/1099405669.db2.gz OHSPMQLWIVXJJO-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000436890821 1099407551 /nfs/dbraw/zinc/40/75/51/1099407551.db2.gz CXHIARKOPIQTET-UHFFFAOYSA-N -1 1 363.295 4.086 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c([O-])c1 ZINC000436907306 1099415257 /nfs/dbraw/zinc/41/52/57/1099415257.db2.gz XWOFDXSPYWEZKK-UHFFFAOYSA-N -1 1 354.259 4.276 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)ccc2ccccc21 ZINC000436904934 1099415377 /nfs/dbraw/zinc/41/53/77/1099415377.db2.gz MLVZKBZFUMJNJR-UHFFFAOYSA-N -1 1 373.412 4.099 20 0 FIADMM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436909499 1099418184 /nfs/dbraw/zinc/41/81/84/1099418184.db2.gz YYADLIWVFLUNHK-GOSISDBHSA-N -1 1 365.454 4.045 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2Br)[C@H]2CCC[C@H]21 ZINC000629374935 1099421239 /nfs/dbraw/zinc/42/12/39/1099421239.db2.gz XENIMPMUJYRCIK-GUTXKFCHSA-N -1 1 372.690 4.178 20 0 FIADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])C[C@](C)(C(F)(F)F)O1 ZINC000436915834 1099431458 /nfs/dbraw/zinc/43/14/58/1099431458.db2.gz SLDFXXXHTXDMSH-GOSISDBHSA-N -1 1 367.367 4.117 20 0 FIADMM COc1ncccc1-c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436918158 1099432780 /nfs/dbraw/zinc/43/27/80/1099432780.db2.gz GTHODCLAPQXPSI-UHFFFAOYSA-N -1 1 361.357 4.305 20 0 FIADMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc2ccccc2cc1[O-] ZINC000436943110 1099454304 /nfs/dbraw/zinc/45/43/04/1099454304.db2.gz YOMYOTDXUQDHLF-NQIIRXRSSA-N -1 1 365.404 4.335 20 0 FIADMM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)cc2[O-])no1 ZINC000436964808 1099464654 /nfs/dbraw/zinc/46/46/54/1099464654.db2.gz RCKTZFDFKFAKSR-AWEZNQCLSA-N -1 1 363.845 4.310 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccc(C)cc1 ZINC000436952156 1099467425 /nfs/dbraw/zinc/46/74/25/1099467425.db2.gz VWGMXAOLGVIQHH-UHFFFAOYSA-N -1 1 353.397 4.230 20 0 FIADMM COc1ccc(-c2nc(-c3cccc(-c4cscn4)c3)no2)c([O-])c1 ZINC000436952660 1099469851 /nfs/dbraw/zinc/46/98/51/1099469851.db2.gz YDCKBHSKWQGAJI-UHFFFAOYSA-N -1 1 351.387 4.241 20 0 FIADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436952594 1099469968 /nfs/dbraw/zinc/46/99/68/1099469968.db2.gz XDNPCEVWSODBSD-LJQANCHMSA-N -1 1 374.278 4.349 20 0 FIADMM [O-]c1c(-c2nc(-c3cccc(OCC(F)F)n3)no2)ccc2ccccc21 ZINC000436961367 1099476064 /nfs/dbraw/zinc/47/60/64/1099476064.db2.gz SULYQBHPZFGTEJ-UHFFFAOYSA-N -1 1 369.327 4.301 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000436978770 1099485057 /nfs/dbraw/zinc/48/50/57/1099485057.db2.gz JEPMFIZYHHZPPB-AWEZNQCLSA-N -1 1 374.440 4.385 20 0 FIADMM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000436985181 1099503723 /nfs/dbraw/zinc/50/37/23/1099503723.db2.gz DACHEBXBSOXZAM-UHFFFAOYSA-N -1 1 359.397 4.058 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000078657557 1099593038 /nfs/dbraw/zinc/59/30/38/1099593038.db2.gz GZFOJKLMGBXGDG-UHFFFAOYSA-N -1 1 368.458 4.204 20 0 FIADMM O=C([O-])[C@@H]1CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000262929630 1099750948 /nfs/dbraw/zinc/75/09/48/1099750948.db2.gz ACVNRBVCJOUEKN-SNVBAGLBSA-N -1 1 371.289 4.414 20 0 FIADMM CCCCC[C@@H](C)CC(=O)N1CCC[C@H](c2n[n-]c(=S)n2CC)C1 ZINC000080076167 1099840188 /nfs/dbraw/zinc/84/01/88/1099840188.db2.gz JWIBSHIFMSCRBM-CABCVRRESA-N -1 1 352.548 4.273 20 0 FIADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000517036032 1099997463 /nfs/dbraw/zinc/99/74/63/1099997463.db2.gz XXTFKBWYXKEUHE-KHIZAZIESA-N -1 1 372.292 4.256 20 0 FIADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCN1c1ccccc1 ZINC000517057390 1100006688 /nfs/dbraw/zinc/00/66/88/1100006688.db2.gz PRMXDDIQZQERSQ-DOMZBBRYSA-N -1 1 355.825 4.478 20 0 FIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(Oc2cccnc2)cc1 ZINC000517062567 1100030511 /nfs/dbraw/zinc/03/05/11/1100030511.db2.gz QZVJGWQWIPRZCM-LBPRGKRZSA-N -1 1 370.355 4.349 20 0 FIADMM COc1cccc(C[C@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000536688430 1100181994 /nfs/dbraw/zinc/18/19/94/1100181994.db2.gz XCIOFDHUZLVFBZ-LJQANCHMSA-N -1 1 361.441 4.401 20 0 FIADMM CC(C)(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)Cc1ccc(Cl)cc1 ZINC000438036805 1100383719 /nfs/dbraw/zinc/38/37/19/1100383719.db2.gz PQGOCUNVTYYXQF-UHFFFAOYSA-N -1 1 360.767 4.074 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000517611482 1100527284 /nfs/dbraw/zinc/52/72/84/1100527284.db2.gz OENGIIPQGICVHK-UHFFFAOYSA-N -1 1 372.412 4.189 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000517604479 1100536269 /nfs/dbraw/zinc/53/62/69/1100536269.db2.gz SNYOHGDXFPKCPS-UHFFFAOYSA-N -1 1 362.385 4.395 20 0 FIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21 ZINC000425993068 1100633284 /nfs/dbraw/zinc/63/32/84/1100633284.db2.gz AGQUSOMHWFWVKV-UHFFFAOYSA-N -1 1 369.364 4.025 20 0 FIADMM COc1cc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)cc(Cl)c1[O-] ZINC000506348955 1100902245 /nfs/dbraw/zinc/90/22/45/1100902245.db2.gz UOSDJRJAGCMXNZ-LJQANCHMSA-N -1 1 363.816 4.074 20 0 FIADMM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1c(F)ccc([O-])c1F ZINC000438774445 1100909155 /nfs/dbraw/zinc/90/91/55/1100909155.db2.gz OFIAHZPMSOMGKZ-UHFFFAOYSA-N -1 1 364.348 4.109 20 0 FIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000438763604 1100909748 /nfs/dbraw/zinc/90/97/48/1100909748.db2.gz LNZUOLTUPTWVPB-UHFFFAOYSA-N -1 1 353.390 4.264 20 0 FIADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(-c4cccs4)c3)cc2o1 ZINC000509569339 1100957856 /nfs/dbraw/zinc/95/78/56/1100957856.db2.gz CGIYZVOKDKEKND-UHFFFAOYSA-N -1 1 372.427 4.063 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C(F)(F)F ZINC000509565852 1100964409 /nfs/dbraw/zinc/96/44/09/1100964409.db2.gz BRKPCEWUWHZLSE-UHFFFAOYSA-N -1 1 372.393 4.424 20 0 FIADMM Cc1cccc2c(CCC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c[nH]c21 ZINC000439074532 1101125094 /nfs/dbraw/zinc/12/50/94/1101125094.db2.gz WPGRFUKSWXSIIN-UHFFFAOYSA-N -1 1 360.417 4.143 20 0 FIADMM Cc1ccc(NC(=O)C2CC(C)(C)C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000506482585 1101147772 /nfs/dbraw/zinc/14/77/72/1101147772.db2.gz VBCHHPSSESMAJO-UHFFFAOYSA-N -1 1 372.490 4.171 20 0 FIADMM COc1cc(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc(Cl)c1[O-] ZINC000460184944 1101690707 /nfs/dbraw/zinc/69/07/07/1101690707.db2.gz IYQDNXIWQQTOGO-AWEZNQCLSA-N -1 1 363.841 4.399 20 0 FIADMM COc1cc(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)cc(Cl)c1[O-] ZINC000460193970 1101695372 /nfs/dbraw/zinc/69/53/72/1101695372.db2.gz OWRQQMZKFNJRMX-UHFFFAOYSA-N -1 1 359.853 4.476 20 0 FIADMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000532385755 1101715471 /nfs/dbraw/zinc/71/54/71/1101715471.db2.gz AMWUZOKSGYNMOL-OAHLLOKOSA-N -1 1 369.461 4.129 20 0 FIADMM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000537414324 1101758689 /nfs/dbraw/zinc/75/86/89/1101758689.db2.gz JMTISVAANWZHDH-FZMZJTMJSA-N -1 1 359.495 4.432 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(OC(F)(F)F)c1 ZINC000024224867 1101795095 /nfs/dbraw/zinc/79/50/95/1101795095.db2.gz IQXIWUYWBCQCMJ-UHFFFAOYSA-N -1 1 351.733 4.039 20 0 FIADMM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263117498 1101897651 /nfs/dbraw/zinc/89/76/51/1101897651.db2.gz LRMZTBMLBAGAMC-OLZOCXBDSA-N -1 1 363.845 4.028 20 0 FIADMM CSc1ccc([O-])c(-c2nc(-c3ccc(OCC4CC4)nc3)no2)c1 ZINC000664778328 1101946239 /nfs/dbraw/zinc/94/62/39/1101946239.db2.gz OHWQJXDWESLKIL-UHFFFAOYSA-N -1 1 355.419 4.015 20 0 FIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1 ZINC000614813640 1101987515 /nfs/dbraw/zinc/98/75/15/1101987515.db2.gz ZPYRKRXKWNTMMX-UHFFFAOYSA-N -1 1 371.405 4.124 20 0 FIADMM O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccccc2cc1O ZINC000036684479 1102029853 /nfs/dbraw/zinc/02/98/53/1102029853.db2.gz KZQFOJSDWYWANM-LJQANCHMSA-N -1 1 364.445 4.095 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3cccs3)[nH]c2c1)c1cccs1 ZINC000022199644 1102087877 /nfs/dbraw/zinc/08/78/77/1102087877.db2.gz QUTCUMQPVUPSSQ-UHFFFAOYSA-N -1 1 361.473 4.154 20 0 FIADMM CCC(C)(C)OCc1cccc(NC(=O)c2csc(=NC3CC3)[n-]2)c1C ZINC000426646518 1102244486 /nfs/dbraw/zinc/24/44/86/1102244486.db2.gz JQBGQDCHKTYFLA-UHFFFAOYSA-N -1 1 373.522 4.405 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000475840267 1102265918 /nfs/dbraw/zinc/26/59/18/1102265918.db2.gz ZNHKJTSLXUTBAG-UHFFFAOYSA-N -1 1 352.459 4.420 20 0 FIADMM CCOc1cc(C(=O)N2CCN(C3CC3)c3ccccc32)cc(Cl)c1[O-] ZINC000187543725 1102281069 /nfs/dbraw/zinc/28/10/69/1102281069.db2.gz LDVSAKBWHVWLLT-UHFFFAOYSA-N -1 1 372.852 4.074 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000121289677 1102364223 /nfs/dbraw/zinc/36/42/23/1102364223.db2.gz FOVXIJPDZJYMNR-UHFFFAOYSA-N -1 1 366.442 4.159 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c2ccccc12 ZINC000614826615 1102399080 /nfs/dbraw/zinc/39/90/80/1102399080.db2.gz YLHMJFRABAEBJT-UHFFFAOYSA-N -1 1 371.458 4.436 20 0 FIADMM Cc1c(=O)[n-]c(SCC(=O)[C@@H]2Cc3ccccc32)nc1-c1ccccc1 ZINC000475862164 1102523346 /nfs/dbraw/zinc/52/33/46/1102523346.db2.gz AJWXWVYBXMMGRA-QGZVFWFLSA-N -1 1 362.454 4.159 20 0 FIADMM CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426682128 1102916348 /nfs/dbraw/zinc/91/63/48/1102916348.db2.gz FUEBDMOQFKNNHI-UHFFFAOYSA-N -1 1 363.461 4.158 20 0 FIADMM O=C([O-])[C@H](NCc1csc(Br)c1)c1cccc(Cl)c1 ZINC000426737739 1102955574 /nfs/dbraw/zinc/95/55/74/1102955574.db2.gz PSKUNRNITJGTHX-GFCCVEGCSA-N -1 1 360.660 4.080 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(-c2ccncc2)cc1F)c1cccc(Cl)c1 ZINC000426738152 1102956226 /nfs/dbraw/zinc/95/62/26/1102956226.db2.gz TWCSFLOBWJBHRM-LJQANCHMSA-N -1 1 370.811 4.457 20 0 FIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(Cl)cc2F)cc1 ZINC000426758241 1102973175 /nfs/dbraw/zinc/97/31/75/1102973175.db2.gz HCEFIGVNWFLSAK-QGZVFWFLSA-N -1 1 351.805 4.183 20 0 FIADMM COc1ccccc1[C@H](NCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000426782552 1102983552 /nfs/dbraw/zinc/98/35/52/1102983552.db2.gz GSBDVRSZRUIXGC-NRFANRHFSA-N -1 1 363.413 4.403 20 0 FIADMM CCOc1ccc(OC)cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000729665981 1102987543 /nfs/dbraw/zinc/98/75/43/1102987543.db2.gz OYSWYNXIAVKVIC-ZHACJKMWSA-N -1 1 367.854 4.160 20 0 FIADMM CCn1nc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c2ccccc21 ZINC000426805535 1102988293 /nfs/dbraw/zinc/98/82/93/1102988293.db2.gz CINRIIRTCDMTKH-IBGZPJMESA-N -1 1 365.477 4.485 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Br)c(Cl)s1)c1ccsc1 ZINC000426795613 1102996322 /nfs/dbraw/zinc/99/63/22/1102996322.db2.gz YQNFWWPYIYFNKY-VIFPVBQESA-N -1 1 366.689 4.141 20 0 FIADMM COc1ccc2oc(CN[C@H](CCCc3ccccc3)C(=O)[O-])cc2c1 ZINC000426800934 1102998216 /nfs/dbraw/zinc/99/82/16/1102998216.db2.gz RFYXDOZNNYPOBP-LJQANCHMSA-N -1 1 353.418 4.007 20 0 FIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Oc3cccnc3)c(C)c2)o1 ZINC000426799379 1102998498 /nfs/dbraw/zinc/99/84/98/1102998498.db2.gz IDDHTVMZQPANQP-GOSISDBHSA-N -1 1 366.417 4.389 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1F)c1ccc(Br)cc1 ZINC000426804024 1103002127 /nfs/dbraw/zinc/00/21/27/1103002127.db2.gz RIKHFUSAXLASRM-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM O=C([O-])C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000426818258 1103012914 /nfs/dbraw/zinc/01/29/14/1103012914.db2.gz RJSBNGDSEMMGBB-KRWDZBQOSA-N -1 1 355.825 4.036 20 0 FIADMM Cc1ccc(-c2ncc(CN[C@H](CC(=O)[O-])c3ccc(F)cc3)s2)o1 ZINC000426818934 1103013249 /nfs/dbraw/zinc/01/32/49/1103013249.db2.gz GTUYIJGKEITJLZ-OAHLLOKOSA-N -1 1 360.410 4.156 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1csc(-c2ccccn2)n1 ZINC000194637661 1103068333 /nfs/dbraw/zinc/06/83/33/1103068333.db2.gz DMVDURGZMOJTDS-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM CC(C)Cn1ncc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1C(F)F ZINC000760267319 1103068619 /nfs/dbraw/zinc/06/86/19/1103068619.db2.gz DKRFILLLVDXNAI-FPLPWBNLSA-N -1 1 373.400 4.028 20 0 FIADMM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105362 1103105454 /nfs/dbraw/zinc/10/54/54/1103105454.db2.gz DIAOUSPVGMAJIR-UHFFFAOYSA-N -1 1 371.824 4.232 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000477105270 1103105837 /nfs/dbraw/zinc/10/58/37/1103105837.db2.gz COZZPZCPGQINTH-UHFFFAOYSA-N -1 1 365.286 4.193 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccccc2n1CC(F)(F)F ZINC000426988583 1103146150 /nfs/dbraw/zinc/14/61/50/1103146150.db2.gz BSLIJDBFIYLYMK-UHFFFAOYSA-N -1 1 352.287 4.301 20 0 FIADMM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477134086 1103150554 /nfs/dbraw/zinc/15/05/54/1103150554.db2.gz MZMALLWKGLLQSS-QGZVFWFLSA-N -1 1 353.447 4.292 20 0 FIADMM CCCCN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCc2ncsc2C1 ZINC000648658361 1103246097 /nfs/dbraw/zinc/24/60/97/1103246097.db2.gz SXUKAGUIMPVWOP-ZDUSSCGKSA-N -1 1 364.898 4.302 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)cc2s1 ZINC000427097373 1103260825 /nfs/dbraw/zinc/26/08/25/1103260825.db2.gz RRVWCHVVUHNUBY-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM Cc1oc(CN(C)CCOc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000565721501 1103269855 /nfs/dbraw/zinc/26/98/55/1103269855.db2.gz OHLGPEWYAQPUCE-UHFFFAOYSA-N -1 1 358.221 4.104 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000507634335 1103568338 /nfs/dbraw/zinc/56/83/38/1103568338.db2.gz HIPXFSHKUNDKDA-UHFFFAOYSA-N -1 1 354.403 4.343 20 0 FIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1coc2c1C(=O)CCC2 ZINC001126485222 1103661463 /nfs/dbraw/zinc/66/14/63/1103661463.db2.gz ITCPHGLQCJJIPY-UHFFFAOYSA-N -1 1 370.149 4.092 20 0 FIADMM COC(=O)c1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450669 1103869104 /nfs/dbraw/zinc/86/91/04/1103869104.db2.gz ZZIIHRJCMUEGJC-RUDMXATFSA-N -1 1 356.765 4.053 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ncc(-c4ccccc4F)o3)n2)c(F)c1 ZINC000445461387 1103967336 /nfs/dbraw/zinc/96/73/36/1103967336.db2.gz GSKQPPHWNOBLSR-UHFFFAOYSA-N -1 1 369.327 4.161 20 0 FIADMM CCc1ccc(-c2nc(CSc3nc(CC)cc(=O)[n-]3)cs2)cc1 ZINC000188104209 1103978803 /nfs/dbraw/zinc/97/88/03/1103978803.db2.gz IUXIXIIVCCEXMX-UHFFFAOYSA-N -1 1 357.504 4.311 20 0 FIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000025741191 1104141820 /nfs/dbraw/zinc/14/18/20/1104141820.db2.gz DIXBRRAHFSLJKU-UHFFFAOYSA-N -1 1 366.870 4.125 20 0 FIADMM [O-]C(=Cc1csc2ccccc12)Nc1nc(-c2ccsc2)ns1 ZINC000520223842 1104197676 /nfs/dbraw/zinc/19/76/76/1104197676.db2.gz YQATWHNKAYWZDC-UHFFFAOYSA-N -1 1 357.485 4.084 20 0 FIADMM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000112674522 1104392995 /nfs/dbraw/zinc/39/29/95/1104392995.db2.gz CZVHOGLMWJXLFU-JQWIXIFHSA-N -1 1 366.346 4.004 20 0 FIADMM O=C([O-])[C@H]1C[C@@H](NCc2c(Cl)cccc2N2CCCC2)c2ccccc21 ZINC000417635440 1105038722 /nfs/dbraw/zinc/03/87/22/1105038722.db2.gz WPFFAPXVHZEHFF-QFBILLFUSA-N -1 1 370.880 4.343 20 0 FIADMM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2cccc([O-])c2Cl)cc1 ZINC000507786642 1105039514 /nfs/dbraw/zinc/03/95/14/1105039514.db2.gz ZAECOWYNRXYCNS-CQSZACIVSA-N -1 1 360.885 4.047 20 0 FIADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000427811400 1105284687 /nfs/dbraw/zinc/28/46/87/1105284687.db2.gz JHFROFSLGASOFF-CQSZACIVSA-N -1 1 350.340 4.173 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000508010349 1105295059 /nfs/dbraw/zinc/29/50/59/1105295059.db2.gz KBVRGPALVDPRDV-UHFFFAOYSA-N -1 1 374.487 4.140 20 0 FIADMM COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2ncccc2[O-])c1 ZINC000427918239 1105313665 /nfs/dbraw/zinc/31/36/65/1105313665.db2.gz UVEOEOWUKMZVLY-SIKLNZKXSA-N -1 1 374.440 4.167 20 0 FIADMM Cc1cnc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c([O-])c1 ZINC000428038378 1105346472 /nfs/dbraw/zinc/34/64/72/1105346472.db2.gz YCRANLZHSTZIBJ-UHFFFAOYSA-N -1 1 363.244 4.332 20 0 FIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000508233865 1105370041 /nfs/dbraw/zinc/37/00/41/1105370041.db2.gz OLHWUAMUFQEOFF-UHFFFAOYSA-N -1 1 360.813 4.239 20 0 FIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n[nH]1 ZINC000450982920 1106869977 /nfs/dbraw/zinc/86/99/77/1106869977.db2.gz VQKBIGFJFMIZGW-NSHDSACASA-N -1 1 357.426 4.193 20 0 FIADMM Cc1nc(-c2ccc(NCC3(c4ccccc4)CCC3)nc2)[n-]c(=O)c1C ZINC000301163288 1106951090 /nfs/dbraw/zinc/95/10/90/1106951090.db2.gz GSTQLWZCIVZXIR-UHFFFAOYSA-N -1 1 360.461 4.395 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C1CCOCC1 ZINC000451279151 1107000294 /nfs/dbraw/zinc/00/02/94/1107000294.db2.gz ZTKAKGSFDZHEEY-CYBMUJFWSA-N -1 1 373.927 4.038 20 0 FIADMM Cc1nc(-c2ccc(NCCSc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301372860 1107007473 /nfs/dbraw/zinc/00/74/73/1107007473.db2.gz UJKHIVDPGOYMTE-UHFFFAOYSA-N -1 1 352.463 4.065 20 0 FIADMM CCc1nc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cs1 ZINC000301395048 1107016680 /nfs/dbraw/zinc/01/66/80/1107016680.db2.gz LCYVVZPDLXLMPX-LBPRGKRZSA-N -1 1 355.467 4.053 20 0 FIADMM Cc1[nH]c2ccccc2c1CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301416642 1107022866 /nfs/dbraw/zinc/02/28/66/1107022866.db2.gz QZWUBDKQICRMFW-UHFFFAOYSA-N -1 1 373.460 4.305 20 0 FIADMM Cc1nc(-c2ccc(NC[C@H](C)c3ccc(F)cc3F)nc2)[n-]c(=O)c1C ZINC000301477826 1107043327 /nfs/dbraw/zinc/04/33/27/1107043327.db2.gz UIYVLJWZMPGCAQ-NSHDSACASA-N -1 1 370.403 4.355 20 0 FIADMM CCC(CC)[C@H]1C[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000302051302 1107276507 /nfs/dbraw/zinc/27/65/07/1107276507.db2.gz OWANVCDJIIOWAV-ZWKOTPCHSA-N -1 1 370.497 4.257 20 0 FIADMM Cc1cc(C)cc([C@@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)c1 ZINC000302087221 1107297379 /nfs/dbraw/zinc/29/73/79/1107297379.db2.gz ADWHEVGAXYNGGJ-LJQANCHMSA-N -1 1 374.488 4.472 20 0 FIADMM Cc1nc(-c2ccc(N(C)CC3(c4ccccc4)CC3)nc2)[n-]c(=O)c1C ZINC000302566418 1107389331 /nfs/dbraw/zinc/38/93/31/1107389331.db2.gz WKJQRXKOYSRWLK-UHFFFAOYSA-N -1 1 360.461 4.029 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531015457 1107464485 /nfs/dbraw/zinc/46/44/85/1107464485.db2.gz UORXPVFZKZSRTF-INIZCTEOSA-N -1 1 350.340 4.173 20 0 FIADMM CC1(C)CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000475483982 1107497244 /nfs/dbraw/zinc/49/72/44/1107497244.db2.gz BMKBPCFBXYPUAC-SFHVURJKSA-N -1 1 372.490 4.252 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C ZINC000531191298 1107624527 /nfs/dbraw/zinc/62/45/27/1107624527.db2.gz KLAPEGCKMGIWFX-UHFFFAOYSA-N -1 1 372.446 4.213 20 0 FIADMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000614761265 1107658770 /nfs/dbraw/zinc/65/87/70/1107658770.db2.gz KUCYZJYUQIHNTF-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H]2CSc3ccccc32)cc(Cl)c1[O-] ZINC000452607820 1107841356 /nfs/dbraw/zinc/84/13/56/1107841356.db2.gz WAAMMARHEFQSEW-GFCCVEGCSA-N -1 1 363.866 4.064 20 0 FIADMM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000116378441 1107957960 /nfs/dbraw/zinc/95/79/60/1107957960.db2.gz KRVDELZBSBLBER-UHFFFAOYSA-N -1 1 371.336 4.033 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)cc(Cl)c1[O-] ZINC000444561066 1107989456 /nfs/dbraw/zinc/98/94/56/1107989456.db2.gz YVOUVCADVFBXFQ-OQPBUACISA-N -1 1 353.768 4.151 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3ccncc32)ccc1OC(C)C ZINC000531781810 1108174522 /nfs/dbraw/zinc/17/45/22/1108174522.db2.gz ZITMHLGWSQJTGV-UHFFFAOYSA-N -1 1 356.447 4.131 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(C)n(C(C)C)n3)n2)cc(Cl)c1[O-] ZINC000453159206 1108229990 /nfs/dbraw/zinc/22/99/90/1108229990.db2.gz DERCLNBURUWEDP-UHFFFAOYSA-N -1 1 362.817 4.247 20 0 FIADMM CC(=C([O-])Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc(C)c1 ZINC000523507257 1108289853 /nfs/dbraw/zinc/28/98/53/1108289853.db2.gz MINXGUPHUFORKT-LBPRGKRZSA-N -1 1 357.866 4.331 20 0 FIADMM O=S(=O)([N-]CCC1CCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000523574369 1108332132 /nfs/dbraw/zinc/33/21/32/1108332132.db2.gz YVUGZAUFIBHECR-UHFFFAOYSA-N -1 1 355.809 4.217 20 0 FIADMM COc1cc(-c2noc(C3=C(C)CCC3)n2)cc(Br)c1[O-] ZINC000445392379 1108707942 /nfs/dbraw/zinc/70/79/42/1108707942.db2.gz NKAYUAXDKBSLLP-UHFFFAOYSA-N -1 1 351.200 4.171 20 0 FIADMM COc1cc(-c2noc(/C=C3/CC[C@H](C)C3)n2)cc(Br)c1[O-] ZINC000445392676 1108708062 /nfs/dbraw/zinc/70/80/62/1108708062.db2.gz NNEBFLYZBYOFEL-LKJZUNMESA-N -1 1 365.227 4.417 20 0 FIADMM CCC[C@H](C)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445392600 1108708759 /nfs/dbraw/zinc/70/87/59/1108708759.db2.gz MXPNUYMBRIYEHI-VIFPVBQESA-N -1 1 355.232 4.192 20 0 FIADMM COc1cc(-c2noc(-c3ccc(Cl)o3)n2)cc(Br)c1[O-] ZINC000445400096 1108727218 /nfs/dbraw/zinc/72/72/18/1108727218.db2.gz CJNJPZKRBOZHIC-UHFFFAOYSA-N -1 1 371.574 4.127 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc4c(c3)CCO4)n2)cc(Cl)c1[O-] ZINC000445407638 1108731622 /nfs/dbraw/zinc/73/16/22/1108731622.db2.gz QLWSPHZXBJZUJV-UHFFFAOYSA-N -1 1 372.808 4.020 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000532267100 1108738013 /nfs/dbraw/zinc/73/80/13/1108738013.db2.gz BWMIUYOIWWHTRF-STQMWFEESA-N -1 1 350.187 4.036 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(F)cc3F)n2)cc(Cl)c1[O-] ZINC000445429619 1108741365 /nfs/dbraw/zinc/74/13/65/1108741365.db2.gz AXCGKNIRUCVXNK-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(OC(F)F)cc3)n2)c(Cl)c1 ZINC000445450422 1108753528 /nfs/dbraw/zinc/75/35/28/1108753528.db2.gz SNPHSJRLPVUNQM-UHFFFAOYSA-N -1 1 352.724 4.288 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)cnn1Cc1ccccc1 ZINC000445451012 1108755397 /nfs/dbraw/zinc/75/53/97/1108755397.db2.gz ZMRMKMFLFPMHTD-UHFFFAOYSA-N -1 1 366.808 4.316 20 0 FIADMM COc1ccc2nc(-c3nc(-c4ccc([O-])cc4Cl)no3)ccc2c1 ZINC000445446794 1108772248 /nfs/dbraw/zinc/77/22/48/1108772248.db2.gz FUGIMXOWSFHYPD-UHFFFAOYSA-N -1 1 353.765 4.319 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C\c3ccc4c(c3)OCCO4)n2)c(Cl)c1 ZINC000445446030 1108773580 /nfs/dbraw/zinc/77/35/80/1108773580.db2.gz NPYZYRSQORIRCR-KXFIGUGUSA-N -1 1 356.765 4.037 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ncc(-c4ccccc4)o3)n2)cc1F ZINC000445477274 1108796686 /nfs/dbraw/zinc/79/66/86/1108796686.db2.gz BVVWQYQFYVDKJU-UHFFFAOYSA-N -1 1 351.337 4.022 20 0 FIADMM Cc1ccc(-c2nc(Cc3nc(-c4ccc([O-])c(F)c4)no3)cs2)o1 ZINC000445476941 1108798454 /nfs/dbraw/zinc/79/84/54/1108798454.db2.gz KHFOTBBVHCDTRM-UHFFFAOYSA-N -1 1 357.366 4.197 20 0 FIADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)no1 ZINC000525155046 1109286470 /nfs/dbraw/zinc/28/64/70/1109286470.db2.gz FXKVTUSQRLIKOT-UHFFFAOYSA-N -1 1 362.842 4.396 20 0 FIADMM CSc1nsc([N-]C(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000525332684 1109339822 /nfs/dbraw/zinc/33/98/22/1109339822.db2.gz CCCXBEJSTQLIQL-UHFFFAOYSA-N -1 1 368.896 4.289 20 0 FIADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000525525413 1109412083 /nfs/dbraw/zinc/41/20/83/1109412083.db2.gz LCVWHNZWTDUHRX-SNVBAGLBSA-N -1 1 359.369 4.082 20 0 FIADMM CCc1ccc(C=C([O-])Nc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000525563430 1109427096 /nfs/dbraw/zinc/42/70/96/1109427096.db2.gz OOUCMGBTDIOATM-UHFFFAOYSA-N -1 1 357.866 4.024 20 0 FIADMM CC(=O)c1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1C ZINC000447545801 1109574623 /nfs/dbraw/zinc/57/46/23/1109574623.db2.gz YCXQEDCGFLUQGZ-UHFFFAOYSA-N -1 1 362.223 4.226 20 0 FIADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447794685 1109641751 /nfs/dbraw/zinc/64/17/51/1109641751.db2.gz JKZMEABSEKBGEY-UHFFFAOYSA-N -1 1 358.316 4.127 20 0 FIADMM COc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000526942807 1109651685 /nfs/dbraw/zinc/65/16/85/1109651685.db2.gz CICNKKDGOUNZJL-DOMZBBRYSA-N -1 1 363.816 4.259 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCCC12CC2 ZINC000527969097 1109878417 /nfs/dbraw/zinc/87/84/17/1109878417.db2.gz RGGCNNHBQBYRQF-SFHVURJKSA-N -1 1 370.474 4.006 20 0 FIADMM C[C@H]1CCn2ncc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)c2C1 ZINC000529539326 1110284256 /nfs/dbraw/zinc/28/42/56/1110284256.db2.gz QRXJLPCHTRPPOF-NSHDSACASA-N -1 1 355.825 4.230 20 0 FIADMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538582 1110286715 /nfs/dbraw/zinc/28/67/15/1110286715.db2.gz FXGYCRBRZRLKFQ-OLZOCXBDSA-N -1 1 363.841 4.112 20 0 FIADMM CSCC1CCC(Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000450657319 1110325762 /nfs/dbraw/zinc/32/57/62/1110325762.db2.gz XFHWLSOFRWZMEE-UHFFFAOYSA-N -1 1 358.511 4.195 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2sc(C(F)(F)F)nc2C)s1 ZINC000461906377 1111400159 /nfs/dbraw/zinc/40/01/59/1111400159.db2.gz GPWSOWWWUURFPC-UHFFFAOYSA-N -1 1 364.418 4.478 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2Br)c(C)c1 ZINC000539105378 1111425442 /nfs/dbraw/zinc/42/54/42/1111425442.db2.gz GPKWRQNJOZJEHL-UHFFFAOYSA-N -1 1 368.296 4.484 20 0 FIADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000478067964 1111676401 /nfs/dbraw/zinc/67/64/01/1111676401.db2.gz NISZXBVBAMDBOB-ICSRJNTNSA-N -1 1 372.490 4.108 20 0 FIADMM CCOc1cc(C(=O)NC[C@H]2CCCCC(F)(F)C2)cc(Cl)c1[O-] ZINC000552653787 1111771488 /nfs/dbraw/zinc/77/14/88/1111771488.db2.gz CCFVOZQSYSUUNS-NSHDSACASA-N -1 1 361.816 4.390 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000552698161 1111784709 /nfs/dbraw/zinc/78/47/09/1111784709.db2.gz WGSNMXLLOLNVQE-UHFFFAOYSA-N -1 1 367.836 4.397 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2ncco2)c1C ZINC000553057015 1111895700 /nfs/dbraw/zinc/89/57/00/1111895700.db2.gz IWUUQZWSMYGJGP-UHFFFAOYSA-N -1 1 366.421 4.004 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c2cccnc2c1C ZINC000479138137 1111952231 /nfs/dbraw/zinc/95/22/31/1111952231.db2.gz FWXGIIRFOCNVAS-UHFFFAOYSA-N -1 1 369.471 4.262 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)s1 ZINC000479272432 1111983370 /nfs/dbraw/zinc/98/33/70/1111983370.db2.gz RAOIINPPKUAEQJ-UHFFFAOYSA-N -1 1 358.897 4.429 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc2s1 ZINC000479513837 1112055799 /nfs/dbraw/zinc/05/57/99/1112055799.db2.gz NKPLBNLIDLQAEI-UHFFFAOYSA-N -1 1 361.473 4.015 20 0 FIADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000600135780 1112904800 /nfs/dbraw/zinc/90/48/00/1112904800.db2.gz LKAAYMMQULANOW-RYUDHWBXSA-N -1 1 361.825 4.117 20 0 FIADMM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC001143606622 1112967246 /nfs/dbraw/zinc/96/72/46/1112967246.db2.gz DGNJOUJALRWYLO-UHFFFAOYSA-N -1 1 361.376 4.337 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1-c1ncco1 ZINC000481609447 1112994086 /nfs/dbraw/zinc/99/40/86/1112994086.db2.gz GUUMCSHXOHHCRO-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(F)c(Cl)cc1F ZINC000481998580 1113147715 /nfs/dbraw/zinc/14/77/15/1113147715.db2.gz NBAHLYSIGOFVRO-UHFFFAOYSA-N -1 1 351.765 4.389 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)c1 ZINC000160011920 1113279632 /nfs/dbraw/zinc/27/96/32/1113279632.db2.gz BMKRWPOCSHPBAM-UHFFFAOYSA-N -1 1 370.430 4.044 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2c[nH]c3c2cccc3C)c1 ZINC000482538642 1113290558 /nfs/dbraw/zinc/29/05/58/1113290558.db2.gz UNDCVKQMRVMJDF-UHFFFAOYSA-N -1 1 373.250 4.434 20 0 FIADMM CCO[C@@H](CC(=O)Nc1cc(C)cc(Br)c1[O-])C1=CCCC1 ZINC000482574542 1113301034 /nfs/dbraw/zinc/30/10/34/1113301034.db2.gz IYFWNWXNZWEHMJ-HNNXBMFYSA-N -1 1 368.271 4.307 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc3cccnc32)c1 ZINC000482600226 1113309067 /nfs/dbraw/zinc/30/90/67/1113309067.db2.gz GXUHMWNQXSQTGH-UHFFFAOYSA-N -1 1 357.207 4.264 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 ZINC000482599053 1113309262 /nfs/dbraw/zinc/30/92/62/1113309262.db2.gz DFIWACKEYIVDRA-JTQLQIEISA-N -1 1 368.202 4.008 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)c2cccs2)c1 ZINC000482636225 1113321415 /nfs/dbraw/zinc/32/14/15/1113321415.db2.gz IDZBWKCHJMAHKN-UHFFFAOYSA-N -1 1 354.269 4.441 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2OC(F)F)c1 ZINC000482671848 1113327556 /nfs/dbraw/zinc/32/75/56/1113327556.db2.gz JUSRGQJBZPYFLW-UHFFFAOYSA-N -1 1 372.165 4.317 20 0 FIADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(C)c1 ZINC000482686942 1113330801 /nfs/dbraw/zinc/33/08/01/1113330801.db2.gz ACXPXXBFQMUCAK-UHFFFAOYSA-N -1 1 350.212 4.032 20 0 FIADMM O=S(=O)([N-]Cc1cccc(F)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000615210711 1113394637 /nfs/dbraw/zinc/39/46/37/1113394637.db2.gz LPRWXKPFPZPPAF-UHFFFAOYSA-N -1 1 368.644 4.264 20 0 FIADMM CC(C)CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C(C)C ZINC000486134446 1113513247 /nfs/dbraw/zinc/51/32/47/1113513247.db2.gz FTYDDYNNKXLXPX-UHFFFAOYSA-N -1 1 365.271 4.210 20 0 FIADMM CCOc1cc2c(cc1NC(=O)Nc1ccc([O-])c(Cl)c1)O[C@@H](C)C2 ZINC000486168897 1113519636 /nfs/dbraw/zinc/51/96/36/1113519636.db2.gz SJUPDHGJUBLERB-JTQLQIEISA-N -1 1 362.813 4.412 20 0 FIADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000907314415 1113534032 /nfs/dbraw/zinc/53/40/32/1113534032.db2.gz MLYNWUCHNKEBNO-FJVVXJACSA-N -1 1 369.490 4.219 20 0 FIADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000486268648 1113537586 /nfs/dbraw/zinc/53/75/86/1113537586.db2.gz GRMAOFFKRAVURM-CQSZACIVSA-N -1 1 360.251 4.093 20 0 FIADMM CC1(C)CC(=O)c2cc(NC(=O)Nc3ccc([O-])c(Cl)c3)ccc2O1 ZINC000486446366 1113570590 /nfs/dbraw/zinc/57/05/90/1113570590.db2.gz MHAKRNWDMBFPQU-UHFFFAOYSA-N -1 1 360.797 4.433 20 0 FIADMM O=c1cc(C(F)(F)F)nc(CNc2cc(Cl)c(Cl)cc2F)[n-]1 ZINC000486813924 1113651264 /nfs/dbraw/zinc/65/12/64/1113651264.db2.gz VTWPTDXPCVRXMR-UHFFFAOYSA-N -1 1 356.106 4.259 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000908715193 1113688113 /nfs/dbraw/zinc/68/81/13/1113688113.db2.gz QDMWMTUDTGWMGT-RKDXNWHRSA-N -1 1 366.177 4.462 20 0 FIADMM CC[C@@H](C)n1ncc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1C1CC1 ZINC000760631416 1113988902 /nfs/dbraw/zinc/98/89/02/1113988902.db2.gz KXRSFHSUJBMKCO-CYBMUJFWSA-N -1 1 370.449 4.039 20 0 FIADMM CC1=Nc2ccccc2C12CCN(C(=O)c1ncc3ccccc3c1[O-])CC2 ZINC000911861137 1114031799 /nfs/dbraw/zinc/03/17/99/1114031799.db2.gz NAUVKMFJJYTDFF-UHFFFAOYSA-N -1 1 371.440 4.220 20 0 FIADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000489695291 1114157603 /nfs/dbraw/zinc/15/76/03/1114157603.db2.gz KDKKQYVBMOUPPE-CQSZACIVSA-N -1 1 373.478 4.125 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC3(CCCC3)CC2)c1 ZINC000150949222 1114240486 /nfs/dbraw/zinc/24/04/86/1114240486.db2.gz KFOKKRZKAPUVKO-UHFFFAOYSA-N -1 1 370.522 4.099 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc(F)ccc1Cl ZINC000490546808 1114299067 /nfs/dbraw/zinc/29/90/67/1114299067.db2.gz RBEZJIQPGBRPCZ-UHFFFAOYSA-N -1 1 356.209 4.258 20 0 FIADMM CN(CCCOc1ccccc1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000571171987 1114441922 /nfs/dbraw/zinc/44/19/22/1114441922.db2.gz HKUWQZVPHCRTFR-QGZVFWFLSA-N -1 1 351.805 4.006 20 0 FIADMM CC(C)C1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000571290391 1114454172 /nfs/dbraw/zinc/45/41/72/1114454172.db2.gz DUECCVYHOQUCDB-HNNXBMFYSA-N -1 1 358.251 4.082 20 0 FIADMM O=C(NN(c1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000055541841 1114494833 /nfs/dbraw/zinc/49/48/33/1114494833.db2.gz YYHVJQFPUYMYJB-UHFFFAOYSA-N -1 1 355.397 4.011 20 0 FIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000572234471 1114625323 /nfs/dbraw/zinc/62/53/23/1114625323.db2.gz SEFWPHJFFUVRKM-UHFFFAOYSA-N -1 1 367.474 4.074 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)ccc1OC(C)C ZINC000588834018 1114655519 /nfs/dbraw/zinc/65/55/19/1114655519.db2.gz ZMUDYHIULPNXQY-UHFFFAOYSA-N -1 1 358.463 4.075 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1C(=O)c1ccccc1 ZINC000589690063 1114827809 /nfs/dbraw/zinc/82/78/09/1114827809.db2.gz HHTDKIQNQRQBIE-UHFFFAOYSA-N -1 1 373.437 4.043 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C(c1ccccc1)c1ccccc1 ZINC000589690136 1114828067 /nfs/dbraw/zinc/82/80/67/1114828067.db2.gz LPCLYAUVISRFCE-UHFFFAOYSA-N -1 1 359.454 4.331 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2)cs1 ZINC000591795800 1115139722 /nfs/dbraw/zinc/13/97/22/1115139722.db2.gz KLADHDMAFZEPPP-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM Cc1c(F)c(F)ccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000669465127 1115271681 /nfs/dbraw/zinc/27/16/81/1115271681.db2.gz PDQJZWQCSFZRAF-UHFFFAOYSA-N -1 1 374.387 4.106 20 0 FIADMM O=C([O-])C[C@@H](NCc1c(F)cccc1OC(F)(F)F)c1cccs1 ZINC000669472759 1115292046 /nfs/dbraw/zinc/29/20/46/1115292046.db2.gz SLGHAAUUVVLCSX-LLVKDONJSA-N -1 1 363.332 4.091 20 0 FIADMM O=C([O-])c1ccoc1COc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000594785497 1115481447 /nfs/dbraw/zinc/48/14/47/1115481447.db2.gz PFLKZOHQOOHKNB-UHFFFAOYSA-N -1 1 352.321 4.239 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1cc(Cl)cc(Cl)c1 ZINC000761281670 1115730530 /nfs/dbraw/zinc/73/05/30/1115730530.db2.gz XBOHUZQNCMOLKW-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000599928822 1115856671 /nfs/dbraw/zinc/85/66/71/1115856671.db2.gz VCHUXUDKYSQQBS-UHFFFAOYSA-N -1 1 357.406 4.302 20 0 FIADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc2ccccc2c1 ZINC000605446945 1115896176 /nfs/dbraw/zinc/89/61/76/1115896176.db2.gz WVEJTNSNOZJOCE-UHFFFAOYSA-N -1 1 364.348 4.329 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000605492625 1115904190 /nfs/dbraw/zinc/90/41/90/1115904190.db2.gz PKFOAGNJXWUMSP-NSHDSACASA-N -1 1 351.855 4.027 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1 ZINC000605614988 1115911783 /nfs/dbraw/zinc/91/17/83/1115911783.db2.gz FQOHXKIDRKRXPZ-UHFFFAOYSA-N -1 1 357.479 4.371 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 ZINC000172412387 1115940765 /nfs/dbraw/zinc/94/07/65/1115940765.db2.gz NGCORIFXZYJPEH-HUUCEWRRSA-N -1 1 372.538 4.247 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173380368 1116059353 /nfs/dbraw/zinc/05/93/53/1116059353.db2.gz SAIHOBTYASPOBA-UHFFFAOYSA-N -1 1 355.781 4.225 20 0 FIADMM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000608349867 1116101228 /nfs/dbraw/zinc/10/12/28/1116101228.db2.gz AXBHZWQMEQFKLQ-AWEZNQCLSA-N -1 1 371.864 4.271 20 0 FIADMM C[C@@H](Oc1ccc(C(=O)Nc2c([O-])cccc2F)cn1)c1ccccc1 ZINC000608366148 1116102352 /nfs/dbraw/zinc/10/23/52/1116102352.db2.gz FIIYKEUIUBLAEE-CYBMUJFWSA-N -1 1 352.365 4.319 20 0 FIADMM CCCC(CCC)SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000064048166 1116137999 /nfs/dbraw/zinc/13/79/99/1116137999.db2.gz GDCSZKUFOYCCPB-UHFFFAOYSA-N -1 1 359.438 4.246 20 0 FIADMM CC[C@@H](C)C[C@@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000174535544 1116139577 /nfs/dbraw/zinc/13/95/77/1116139577.db2.gz CGYQUAJNXFSGOM-VXGBXAGGSA-N -1 1 352.529 4.000 20 0 FIADMM CCSCc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000456477447 1116193048 /nfs/dbraw/zinc/19/30/48/1116193048.db2.gz DGKDINCZNYJXKZ-UHFFFAOYSA-N -1 1 359.495 4.294 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cncc2ccccc21 ZINC000534552641 1116212686 /nfs/dbraw/zinc/21/26/86/1116212686.db2.gz CGBCTDNUIKQBQB-UHFFFAOYSA-N -1 1 354.822 4.014 20 0 FIADMM O=C(Nc1ccc([O-])c(F)c1F)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000456795771 1116216870 /nfs/dbraw/zinc/21/68/70/1116216870.db2.gz UNSPOJNZLBYZMC-UHFFFAOYSA-N -1 1 367.779 4.011 20 0 FIADMM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1sccc1Br ZINC000385990494 1116233593 /nfs/dbraw/zinc/23/35/93/1116233593.db2.gz AUUHOQTVCIFSMY-VIFPVBQESA-N -1 1 354.335 4.004 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC000457120947 1116247467 /nfs/dbraw/zinc/24/74/67/1116247467.db2.gz SXHBFAXMQUYCMK-UHFFFAOYSA-N -1 1 373.452 4.250 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1-c1ccccc1 ZINC000535394045 1116303566 /nfs/dbraw/zinc/30/35/66/1116303566.db2.gz IGLARPRUPKYESL-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM Cc1oc([C@H](C)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000519541162 1116362793 /nfs/dbraw/zinc/36/27/93/1116362793.db2.gz FQZGFSSXYSEQRI-SWLSCSKDSA-N -1 1 359.397 4.081 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)n[nH]c1-c1ccccc1 ZINC000540207738 1117943834 /nfs/dbraw/zinc/94/38/34/1117943834.db2.gz DNMFDDJWJZYWTH-UHFFFAOYSA-N -1 1 355.463 4.309 20 0 FIADMM Cc1ccc(-c2cnc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)o2)cc1 ZINC000463267056 1118071250 /nfs/dbraw/zinc/07/12/50/1118071250.db2.gz PSBCHAFXTIBLQQ-UHFFFAOYSA-N -1 1 367.352 4.457 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1F ZINC000463520855 1118202632 /nfs/dbraw/zinc/20/26/32/1118202632.db2.gz QBNOFDNJXXZXPU-UHFFFAOYSA-N -1 1 361.847 4.010 20 0 FIADMM Cc1nc(SCc2ccc(OCc3ccccn3)cc2)[n-]c(=O)c1C ZINC000540713817 1118210750 /nfs/dbraw/zinc/21/07/50/1118210750.db2.gz RVHJYVYWGGUJQJ-UHFFFAOYSA-N -1 1 353.447 4.065 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463790350 1118324408 /nfs/dbraw/zinc/32/44/08/1118324408.db2.gz NCGOHPBHLYSIES-UHFFFAOYSA-N -1 1 369.895 4.455 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000541025660 1118352508 /nfs/dbraw/zinc/35/25/08/1118352508.db2.gz KZEIVVNMWTYCRE-DOMZBBRYSA-N -1 1 370.287 4.243 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(SC2CC2)cc1 ZINC000541238187 1118438181 /nfs/dbraw/zinc/43/81/81/1118438181.db2.gz QGXLKRRBZXCUNW-UHFFFAOYSA-N -1 1 351.431 4.289 20 0 FIADMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3C)c2)cn1 ZINC000509388334 1118598493 /nfs/dbraw/zinc/59/84/93/1118598493.db2.gz PVIZEYZSMHXNQN-UHFFFAOYSA-N -1 1 368.458 4.175 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cnc(-c2cccnc2)s1 ZINC000541848034 1118669219 /nfs/dbraw/zinc/66/92/19/1118669219.db2.gz XSDCKLBTMMVKHS-UHFFFAOYSA-N -1 1 371.472 4.037 20 0 FIADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000302759434 1118674929 /nfs/dbraw/zinc/67/49/29/1118674929.db2.gz GNLXAWFYJSRKAQ-UHFFFAOYSA-N -1 1 360.457 4.418 20 0 FIADMM COC(=O)CCSc1ccc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc1 ZINC000542011412 1118751812 /nfs/dbraw/zinc/75/18/12/1118751812.db2.gz NLBGEGHRFVRPEM-UHFFFAOYSA-N -1 1 374.487 4.336 20 0 FIADMM CCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000465054730 1118809430 /nfs/dbraw/zinc/80/94/30/1118809430.db2.gz DNAMOQHJCVEEDK-UHFFFAOYSA-N -1 1 360.479 4.252 20 0 FIADMM O=C([N-]c1csc(-c2ccccn2)n1)c1cc(-c2cccc(F)c2)no1 ZINC000542202281 1118841200 /nfs/dbraw/zinc/84/12/00/1118841200.db2.gz YKWDUWXJCGLBLP-UHFFFAOYSA-N -1 1 366.377 4.252 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccc3)[nH]c2c1)c1cccs1 ZINC000491580415 1118963577 /nfs/dbraw/zinc/96/35/77/1118963577.db2.gz BCKSOWKDQFYNLG-UHFFFAOYSA-N -1 1 355.444 4.092 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1 ZINC000172900731 1118988985 /nfs/dbraw/zinc/98/89/85/1118988985.db2.gz YIOIWOVUGVSPBG-UHFFFAOYSA-N -1 1 361.410 4.314 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000176253822 1119265610 /nfs/dbraw/zinc/26/56/10/1119265610.db2.gz XVCNXJNYPXGDBK-NSHDSACASA-N -1 1 369.490 4.082 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H](C)CCCC(F)(F)F)nc2)[n-]c(=O)c1C ZINC000493660969 1119486765 /nfs/dbraw/zinc/48/67/65/1119486765.db2.gz RSSVEQCOVMVZES-JTQLQIEISA-N -1 1 354.376 4.394 20 0 FIADMM Cc1nc(-c2ccc(N[C@H](C)CCCC(F)(F)F)nc2)[n-]c(=O)c1C ZINC000493660970 1119486800 /nfs/dbraw/zinc/48/68/00/1119486800.db2.gz RSSVEQCOVMVZES-SNVBAGLBSA-N -1 1 354.376 4.394 20 0 FIADMM Cc1ccc(NC(=O)[C@H](C)CC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000184499573 1119611984 /nfs/dbraw/zinc/61/19/84/1119611984.db2.gz XMYIACRMORPWKE-MRXNPFEDSA-N -1 1 374.506 4.417 20 0 FIADMM CCOc1cc(C(=O)Nc2cc(F)c(OC)cc2C)cc(Cl)c1[O-] ZINC000186030572 1119701427 /nfs/dbraw/zinc/70/14/27/1119701427.db2.gz KVXDSOOBXPENGB-UHFFFAOYSA-N -1 1 353.777 4.153 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000494317239 1119831087 /nfs/dbraw/zinc/83/10/87/1119831087.db2.gz LZZQCKVMCDVDCJ-UHFFFAOYSA-N -1 1 364.898 4.173 20 0 FIADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189281967 1119883206 /nfs/dbraw/zinc/88/32/06/1119883206.db2.gz HJYFBOYDXHLTTC-LBPRGKRZSA-N -1 1 373.396 4.300 20 0 FIADMM COCCOc1c(Cl)cccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190954909 1119955745 /nfs/dbraw/zinc/95/57/45/1119955745.db2.gz VEUDJRVZDSJDEB-UHFFFAOYSA-N -1 1 371.220 4.368 20 0 FIADMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190953834 1119955879 /nfs/dbraw/zinc/95/58/79/1119955879.db2.gz XIXDIUDNHXCAFZ-OAHLLOKOSA-N -1 1 362.813 4.247 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)cc1 ZINC000195749617 1120229773 /nfs/dbraw/zinc/22/97/73/1120229773.db2.gz CVQBNZJACPJFOO-UHFFFAOYSA-N -1 1 373.503 4.012 20 0 FIADMM Cc1ccc(CN(CCc2ccccc2)C(=O)c2ncccc2[O-])s1 ZINC000494886281 1120360262 /nfs/dbraw/zinc/36/02/62/1120360262.db2.gz NTLCAZLRYHCHNF-UHFFFAOYSA-N -1 1 352.459 4.042 20 0 FIADMM FC(F)(F)[C@@H]([N-]c1nc(Cl)cc(-c2ccccn2)n1)c1ccccn1 ZINC001168479175 1120514870 /nfs/dbraw/zinc/51/48/70/1120514870.db2.gz FTLKGWAXFXAUOH-AWEZNQCLSA-N -1 1 365.746 4.303 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2)cc1C ZINC000547023584 1120519568 /nfs/dbraw/zinc/51/95/68/1120519568.db2.gz GMRQALCMTQWRHP-UHFFFAOYSA-N -1 1 369.446 4.032 20 0 FIADMM CC(C)c1ocnc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000762516169 1120919749 /nfs/dbraw/zinc/91/97/49/1120919749.db2.gz XZVZVEWQYDQKHC-AWEZNQCLSA-N -1 1 368.462 4.370 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1 ZINC000036760502 1121132710 /nfs/dbraw/zinc/13/27/10/1121132710.db2.gz ZCJBXPFAEMBANZ-UHFFFAOYSA-N -1 1 368.458 4.078 20 0 FIADMM O=S(=O)(Cc1cccc(F)c1)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000150815642 1121155629 /nfs/dbraw/zinc/15/56/29/1121155629.db2.gz NEIAPBSIJABDKJ-UHFFFAOYSA-N -1 1 367.751 4.440 20 0 FIADMM O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ncccc1[O-] ZINC001626053670 1121178931 /nfs/dbraw/zinc/17/89/31/1121178931.db2.gz FMXBHOLNGHESMW-QGZVFWFLSA-N -1 1 356.784 4.099 20 0 FIADMM Cc1ccsc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611596 1121285577 /nfs/dbraw/zinc/28/55/77/1121285577.db2.gz MPMDRJNKMJELQJ-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000058495316 1121405045 /nfs/dbraw/zinc/40/50/45/1121405045.db2.gz AXLPXHGSTDOFHG-UHFFFAOYSA-N -1 1 366.870 4.024 20 0 FIADMM Cc1nc(NC(=O)C[C@@H]2CCC[C@H](C)C2)sc1-c1n[n-]c(=S)n1C ZINC000153888552 1121439729 /nfs/dbraw/zinc/43/97/29/1121439729.db2.gz OTZAQRCNMUGNBG-GXSJLCMTSA-N -1 1 365.528 4.065 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000060624463 1121489112 /nfs/dbraw/zinc/48/91/12/1121489112.db2.gz RKKCFUVZSLMOAK-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc(Cl)c1[O-] ZINC000496738941 1121519488 /nfs/dbraw/zinc/51/94/88/1121519488.db2.gz RFIBOKXHEFNBCX-LBPRGKRZSA-N -1 1 366.244 4.337 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1 ZINC000063476071 1121566463 /nfs/dbraw/zinc/56/64/63/1121566463.db2.gz VPAJZHCTELEPPF-UHFFFAOYSA-N -1 1 370.474 4.301 20 0 FIADMM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc2ccccc2c1[O-] ZINC000123483881 1121607847 /nfs/dbraw/zinc/60/78/47/1121607847.db2.gz IZLZKJJZLPCEAV-UHFFFAOYSA-N -1 1 374.440 4.310 20 0 FIADMM Cc1cccc(CCC(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1 ZINC000068447096 1121829036 /nfs/dbraw/zinc/82/90/36/1121829036.db2.gz JMAVIHQSNGWNFE-UHFFFAOYSA-N -1 1 372.538 4.169 20 0 FIADMM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666515 1121961459 /nfs/dbraw/zinc/96/14/59/1121961459.db2.gz XKHBDXRMGPMQJZ-UHFFFAOYSA-N -1 1 373.815 4.168 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1CC1(C)C ZINC001212220123 1122034736 /nfs/dbraw/zinc/03/47/36/1122034736.db2.gz YHLPBRKRMOJBKR-PSASIEDQSA-N -1 1 354.274 4.236 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2csc(-c3ccoc3)n2)[n-]1 ZINC000127025350 1122036780 /nfs/dbraw/zinc/03/67/80/1122036780.db2.gz OWOWQBLEBKLMSS-UHFFFAOYSA-N -1 1 359.354 4.210 20 0 FIADMM Cc1ccccc1-c1nc(C(=O)[N-]c2nnc(C(F)F)s2)cs1 ZINC000066336346 1122052598 /nfs/dbraw/zinc/05/25/98/1122052598.db2.gz LADZJEHJRNNKQS-UHFFFAOYSA-N -1 1 352.391 4.160 20 0 FIADMM C[C@H](Nc1cnn(C(C)(C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000186357430 1122053243 /nfs/dbraw/zinc/05/32/43/1122053243.db2.gz YVUXAHUPWOZVQR-VIFPVBQESA-N -1 1 356.239 4.418 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3C)c2)oc1C ZINC000054293991 1122166428 /nfs/dbraw/zinc/16/64/28/1122166428.db2.gz SNBNPJISBHPBSR-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM Cc1ccc(C)c(OCCCSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000497435498 1122223585 /nfs/dbraw/zinc/22/35/85/1122223585.db2.gz HGWHFFNZAGJCJS-UHFFFAOYSA-N -1 1 374.506 4.242 20 0 FIADMM Cc1ccc(C)c(OCCCSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000497435498 1122223590 /nfs/dbraw/zinc/22/35/90/1122223590.db2.gz HGWHFFNZAGJCJS-UHFFFAOYSA-N -1 1 374.506 4.242 20 0 FIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1C ZINC000055674180 1122260698 /nfs/dbraw/zinc/26/06/98/1122260698.db2.gz PDMYTTOTDTYDFV-UHFFFAOYSA-N -1 1 366.870 4.024 20 0 FIADMM CCOc1cc(C(=O)N2CCCc3c(OC)cccc32)cc(Cl)c1[O-] ZINC000497509932 1122261397 /nfs/dbraw/zinc/26/13/97/1122261397.db2.gz OGJRHUPIJOPVPV-UHFFFAOYSA-N -1 1 361.825 4.046 20 0 FIADMM COc1cc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c(OC)cc1Cl ZINC000917726167 1122418923 /nfs/dbraw/zinc/41/89/23/1122418923.db2.gz BMVWVFCLBAGUHV-HJWRWDBZSA-N -1 1 367.854 4.078 20 0 FIADMM O=S(=O)([N-]c1cccc(COc2ccccc2)c1)c1cccc(F)c1 ZINC000917764143 1122438120 /nfs/dbraw/zinc/43/81/20/1122438120.db2.gz ZZHKPWBNRDPWNP-UHFFFAOYSA-N -1 1 357.406 4.206 20 0 FIADMM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000556199097 1122729303 /nfs/dbraw/zinc/72/93/03/1122729303.db2.gz WVDABPCUADURMH-UHFFFAOYSA-N -1 1 363.413 4.389 20 0 FIADMM O=S(=O)([N-]c1cccc(O)c1F)c1cc(Cl)ccc1C(F)(F)F ZINC000556801031 1123096070 /nfs/dbraw/zinc/09/60/70/1123096070.db2.gz XFFKACZJHCVHKP-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000132978446 1123393471 /nfs/dbraw/zinc/39/34/71/1123393471.db2.gz ZFSWLIJDLORKPW-VIFPVBQESA-N -1 1 370.193 4.266 20 0 FIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000499282278 1123406863 /nfs/dbraw/zinc/40/68/63/1123406863.db2.gz IEFVBESUAPWIGM-UHFFFAOYSA-N -1 1 356.447 4.440 20 0 FIADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1c([O-])cccc1Cl ZINC000920453441 1123459529 /nfs/dbraw/zinc/45/95/29/1123459529.db2.gz HIZXISSQMBXJAQ-UHFFFAOYSA-N -1 1 369.852 4.141 20 0 FIADMM O=C([N-]Cc1ccccc1OC(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC000920841859 1123527403 /nfs/dbraw/zinc/52/74/03/1123527403.db2.gz JUJXYQVXOOTOLJ-UHFFFAOYSA-N -1 1 363.257 4.133 20 0 FIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2C)o1 ZINC000135406264 1123751432 /nfs/dbraw/zinc/75/14/32/1123751432.db2.gz VGBNKHWQNUOFCR-UHFFFAOYSA-N -1 1 367.430 4.241 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c1 ZINC000080938946 1123977809 /nfs/dbraw/zinc/97/78/09/1123977809.db2.gz YHIBPDRCVGWQSR-UHFFFAOYSA-N -1 1 368.458 4.024 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(SC(F)(F)F)cc1 ZINC000180198402 1124261641 /nfs/dbraw/zinc/26/16/41/1124261641.db2.gz ZDUBXOKAWZUFHH-UHFFFAOYSA-N -1 1 368.789 4.148 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@H]2CCCC[C@H]12 ZINC000180515907 1124358607 /nfs/dbraw/zinc/35/86/07/1124358607.db2.gz NSMDQYNGVWWXFB-UNEWFSDZSA-N -1 1 374.481 4.390 20 0 FIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000108638810 1124367447 /nfs/dbraw/zinc/36/74/47/1124367447.db2.gz AMZWKEHPTBXXIR-UHFFFAOYSA-N -1 1 363.442 4.041 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)oc1C ZINC000060554353 1124571884 /nfs/dbraw/zinc/57/18/84/1124571884.db2.gz FNLYNCJGJHQHRE-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([O-])c(F)c1 ZINC000672170468 1124830233 /nfs/dbraw/zinc/83/02/33/1124830233.db2.gz CNNHIWARVTXLPJ-INIZCTEOSA-N -1 1 369.314 4.311 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1OC(C)C ZINC000542936158 1124914017 /nfs/dbraw/zinc/91/40/17/1124914017.db2.gz WOUIDJXAPYHTGW-UHFFFAOYSA-N -1 1 372.446 4.238 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849260 1124958031 /nfs/dbraw/zinc/95/80/31/1124958031.db2.gz QCLQYNWHECSBDY-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM CCCc1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)no1 ZINC001128215163 1125088738 /nfs/dbraw/zinc/08/87/38/1125088738.db2.gz KQCADDSVQVDEJL-UHFFFAOYSA-N -1 1 366.805 4.190 20 0 FIADMM [O-]c1cccnc1-c1nc(-c2ccc(Br)c3ccccc23)no1 ZINC001212480673 1125300137 /nfs/dbraw/zinc/30/01/37/1125300137.db2.gz CCHNWLBMRLNMKA-UHFFFAOYSA-N -1 1 368.190 4.420 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911161 212035905 /nfs/dbraw/zinc/03/59/05/212035905.db2.gz QYDBTBWJLMGYDV-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)cc1 ZINC000071976592 221392550 /nfs/dbraw/zinc/39/25/50/221392550.db2.gz DWQUPCBNUOQKQS-CQSZACIVSA-N -1 1 374.506 4.011 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186326868 567907113 /nfs/dbraw/zinc/90/71/13/567907113.db2.gz RFCTZJLKKBVUNA-MRXNPFEDSA-N -1 1 370.207 4.052 20 0 FIADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000051468004 567979381 /nfs/dbraw/zinc/97/93/81/567979381.db2.gz UUDJTMCEVLBBJG-HNAYVOBHSA-N -1 1 359.853 4.286 20 0 FIADMM O=C(CSc1ncnc2sc3c(c21)CCCC3)c1ccc([O-])cc1 ZINC000007123782 568181459 /nfs/dbraw/zinc/18/14/59/568181459.db2.gz NTVBKNSZOJDZGH-UHFFFAOYSA-N -1 1 356.472 4.251 20 0 FIADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000603961845 568190494 /nfs/dbraw/zinc/19/04/94/568190494.db2.gz TWCKTTCLYHMUDU-IAGOWNOFSA-N -1 1 372.509 4.213 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000563125635 568254889 /nfs/dbraw/zinc/25/48/89/568254889.db2.gz PBRAYNBEYRODKT-RDTXWAMCSA-N -1 1 358.507 4.476 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)c1 ZINC000674647081 568668541 /nfs/dbraw/zinc/66/85/41/568668541.db2.gz SSAGBLTXRHYDQQ-UHFFFAOYSA-N -1 1 361.463 4.005 20 0 FIADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3sc4ccccc4c3s2)n1 ZINC000619864962 1125719697 /nfs/dbraw/zinc/71/96/97/1125719697.db2.gz ARQPJHHMHLFMDN-UHFFFAOYSA-N -1 1 371.443 4.268 20 0 FIADMM CCOc1cc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc(Cl)c1[O-] ZINC000186818489 1079676147 /nfs/dbraw/zinc/67/61/47/1079676147.db2.gz VXIHBAFXGHFNHD-PXAZEXFGSA-N -1 1 369.889 4.015 20 0 FIADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000263094435 1125774931 /nfs/dbraw/zinc/77/49/31/1125774931.db2.gz VBKLSQMQZKGTKT-GXSJLCMTSA-N -1 1 369.305 4.267 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000153354407 1125778594 /nfs/dbraw/zinc/77/85/94/1125778594.db2.gz VEKJEQRZGTWWHQ-UHFFFAOYSA-N -1 1 366.804 4.295 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cccc3ncccc32)cccc1C(F)(F)F ZINC000471132022 1079771545 /nfs/dbraw/zinc/77/15/45/1079771545.db2.gz CYGBKXKKWLFFLO-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2nc(-c3ccccc3)cs2)cc1 ZINC000683171581 1079803506 /nfs/dbraw/zinc/80/35/06/1079803506.db2.gz MKQTWMBSSOMVLA-KRWDZBQOSA-N -1 1 368.458 4.124 20 0 FIADMM COc1ccc(OC(F)F)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC001625802423 1080022209 /nfs/dbraw/zinc/02/22/09/1080022209.db2.gz VVTXNPUAJCWTGG-UHFFFAOYSA-N -1 1 351.349 4.378 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2ncc(-c3cccs3)o2)[n-]1 ZINC000127015457 1080064219 /nfs/dbraw/zinc/06/42/19/1080064219.db2.gz ZGRHIRUOQOLEIS-UHFFFAOYSA-N -1 1 359.354 4.210 20 0 FIADMM CCc1csc(CC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000655260291 1080118173 /nfs/dbraw/zinc/11/81/73/1080118173.db2.gz NUYRSEZLPGNVKT-UHFFFAOYSA-N -1 1 364.898 4.159 20 0 FIADMM CC(C)CCOc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(F)c1 ZINC000655361298 1080186628 /nfs/dbraw/zinc/18/66/28/1080186628.db2.gz XHJSYFWOUBZZBT-UHFFFAOYSA-N -1 1 353.340 4.487 20 0 FIADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000652500316 1080835329 /nfs/dbraw/zinc/83/53/29/1080835329.db2.gz LNBHWIVVKJADTA-GFCCVEGCSA-N -1 1 350.509 4.194 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccc1Cl ZINC000063443820 1081070499 /nfs/dbraw/zinc/07/04/99/1081070499.db2.gz QNZPHIHSHBRPJH-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM CCc1csc(CC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)n1 ZINC000655260729 1081159500 /nfs/dbraw/zinc/15/95/00/1081159500.db2.gz ZIURTISDKPSEBZ-UHFFFAOYSA-N -1 1 364.898 4.159 20 0 FIADMM O=C(CCSc1ccc(Br)cc1)Nc1cccc(F)c1[O-] ZINC001648847201 1081288876 /nfs/dbraw/zinc/28/88/76/1081288876.db2.gz MDDQNTRSQFNBPZ-UHFFFAOYSA-N -1 1 370.243 4.415 20 0 FIADMM O=C(Nc1cncc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001648847916 1081289331 /nfs/dbraw/zinc/28/93/31/1081289331.db2.gz WCJXLVAAJYNADI-UHFFFAOYSA-N -1 1 350.218 4.077 20 0 FIADMM Cc1nc(CSc2ccc(C(=O)Nc3ccncc3[O-])cc2)cs1 ZINC000109889515 1081301111 /nfs/dbraw/zinc/30/11/11/1081301111.db2.gz WHLRJSXHYBUSIN-UHFFFAOYSA-N -1 1 357.460 4.097 20 0 FIADMM O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccc([O-])cc1F ZINC001167314835 1081326235 /nfs/dbraw/zinc/32/62/35/1081326235.db2.gz OSYPSEATRGQPAR-UHFFFAOYSA-N -1 1 365.339 4.237 20 0 FIADMM C[C@H](Oc1ccccc1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000580765455 1082131355 /nfs/dbraw/zinc/13/13/55/1082131355.db2.gz NCUAOFVJCUYESA-VIFPVBQESA-N -1 1 370.630 4.214 20 0 FIADMM COc1ccc(-c2cc3[n-]c(CN4[C@@H](C)CC[C@@H]4C)nc(=O)c3s2)cc1 ZINC000123435835 1082298086 /nfs/dbraw/zinc/29/80/86/1082298086.db2.gz KODKZMCDBCQCTL-STQMWFEESA-N -1 1 369.490 4.033 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000068447317 1082475220 /nfs/dbraw/zinc/47/52/20/1082475220.db2.gz YNNBCRLXYCTXCD-UHFFFAOYSA-N -1 1 370.931 4.256 20 0 FIADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)F)ccc1F)C1CCCCC1 ZINC000656630746 1082646689 /nfs/dbraw/zinc/64/66/89/1082646689.db2.gz BMZDOJHTGVMCNG-HNNXBMFYSA-N -1 1 365.417 4.100 20 0 FIADMM CSc1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000656633373 1082648503 /nfs/dbraw/zinc/64/85/03/1082648503.db2.gz FOTVCRDGOIUCTB-UHFFFAOYSA-N -1 1 374.915 4.289 20 0 FIADMM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@H](c1ccccc1)C(F)F ZINC000581613814 1082710550 /nfs/dbraw/zinc/71/05/50/1082710550.db2.gz XDVACPQUGDUJGJ-CQSZACIVSA-N -1 1 361.360 4.050 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000656756601 1082751006 /nfs/dbraw/zinc/75/10/06/1082751006.db2.gz GXKKWTGXHHFRDR-MNOVXSKESA-N -1 1 370.198 4.121 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCc2cccc(Cl)c2Cl)C1 ZINC000656756601 1082751007 /nfs/dbraw/zinc/75/10/07/1082751007.db2.gz GXKKWTGXHHFRDR-MNOVXSKESA-N -1 1 370.198 4.121 20 0 FIADMM CC[C@@H](C)Oc1cccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000085576659 1083070522 /nfs/dbraw/zinc/07/05/22/1083070522.db2.gz MXVRXOLHGHUHQW-GFCCVEGCSA-N -1 1 363.487 4.021 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000684484548 1083084618 /nfs/dbraw/zinc/08/46/18/1083084618.db2.gz ZQNYAGSDIAEQCB-SFHVURJKSA-N -1 1 365.408 4.289 20 0 FIADMM O=S(=O)([N-]C1CCC2(CCCCC2)CC1)c1cc(F)c(F)cc1F ZINC001211526292 1083329670 /nfs/dbraw/zinc/32/96/70/1083329670.db2.gz UDQFQMDSPTTWNI-UHFFFAOYSA-N -1 1 361.429 4.275 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)cc1Cl ZINC000431161984 1083360119 /nfs/dbraw/zinc/36/01/19/1083360119.db2.gz QFQUWKGONCOPAS-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCC1)c1cc2ccccc2o1 ZINC000535692005 1083582715 /nfs/dbraw/zinc/58/27/15/1083582715.db2.gz WHMAHTICZCACKS-UHFFFAOYSA-N -1 1 363.385 4.069 20 0 FIADMM CC(C)c1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000612381526 1083760335 /nfs/dbraw/zinc/76/03/35/1083760335.db2.gz DTNZPCCHWRDLEX-UHFFFAOYSA-N -1 1 351.446 4.251 20 0 FIADMM CCC(=CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)CC ZINC000121269083 1084034256 /nfs/dbraw/zinc/03/42/56/1084034256.db2.gz DQOWONRZOCYKHO-UHFFFAOYSA-N -1 1 372.490 4.481 20 0 FIADMM CS(=O)(=O)c1ccc([O-])c(Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001216300395 1084311742 /nfs/dbraw/zinc/31/17/42/1084311742.db2.gz MPPPPRNBZQJPGH-UHFFFAOYSA-N -1 1 366.653 4.500 20 0 FIADMM CCn1ccnc1[C@@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843603256 1084321316 /nfs/dbraw/zinc/32/13/16/1084321316.db2.gz VHWOUHBPUFXOSN-SECBINFHSA-N -1 1 362.207 4.179 20 0 FIADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(Cl)c(Cl)c1 ZINC000536460330 1084354505 /nfs/dbraw/zinc/35/45/05/1084354505.db2.gz PTLLCCXBRZJTOP-UHFFFAOYSA-N -1 1 353.230 4.342 20 0 FIADMM CC(C)n1c(CNC(=O)c2ccccc2Nc2ccccc2)n[n-]c1=S ZINC000066639847 1084837438 /nfs/dbraw/zinc/83/74/38/1084837438.db2.gz PMUXFYVBDHSUOX-UHFFFAOYSA-N -1 1 367.478 4.195 20 0 FIADMM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000175238946 1084911471 /nfs/dbraw/zinc/91/14/71/1084911471.db2.gz CSSJZOKLDAJQMI-SANMLTNESA-N -1 1 369.417 4.091 20 0 FIADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000175548581 1084965217 /nfs/dbraw/zinc/96/52/17/1084965217.db2.gz HRCALWXLTSMATI-RXBISOJRSA-N -1 1 367.470 4.116 20 0 FIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000685901312 1084968000 /nfs/dbraw/zinc/96/80/00/1084968000.db2.gz DSUTZFOOVPGFPQ-UHFFFAOYSA-N -1 1 367.898 4.412 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000175777231 1084998314 /nfs/dbraw/zinc/99/83/14/1084998314.db2.gz PNIJKZTZZGVJRS-UHFFFAOYSA-N -1 1 371.380 4.185 20 0 FIADMM O=C(NCCCCOc1ccc(F)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870623 1084999535 /nfs/dbraw/zinc/99/95/35/1084999535.db2.gz MEWQRHDDYPFDGF-UHFFFAOYSA-N -1 1 371.330 4.139 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H](c2ccccc2)O1 ZINC000684873364 1085002863 /nfs/dbraw/zinc/00/28/63/1085002863.db2.gz AVZUBBWJCNCBHG-SJKOYZFVSA-N -1 1 365.351 4.013 20 0 FIADMM CCc1nc2cc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)ccc2o1 ZINC000684872935 1085007241 /nfs/dbraw/zinc/00/72/41/1085007241.db2.gz LXBQMJKQVFZDQU-UHFFFAOYSA-N -1 1 350.296 4.367 20 0 FIADMM COc1ccccc1C(C)(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874193 1085008150 /nfs/dbraw/zinc/00/81/50/1085008150.db2.gz RHVWXOMXECVLJB-UHFFFAOYSA-N -1 1 353.340 4.085 20 0 FIADMM O=c1cc(C(F)(F)F)nc(CNc2ccc(Cl)cc2OC(F)F)[n-]1 ZINC000186134991 1085032701 /nfs/dbraw/zinc/03/27/01/1085032701.db2.gz FLQYJIHYMAYDDD-UHFFFAOYSA-N -1 1 369.677 4.068 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1 ZINC000175972326 1085049814 /nfs/dbraw/zinc/04/98/14/1085049814.db2.gz JHSIBRAEFKDCOU-UHFFFAOYSA-N -1 1 360.460 4.228 20 0 FIADMM CC(C)(C)CC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431451734 1085149848 /nfs/dbraw/zinc/14/98/48/1085149848.db2.gz UIKNGQSWVNMSDZ-UHFFFAOYSA-N -1 1 365.065 4.292 20 0 FIADMM CCCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431457180 1085189768 /nfs/dbraw/zinc/18/97/68/1085189768.db2.gz HTVORWHLQCZYGY-UHFFFAOYSA-N -1 1 351.038 4.046 20 0 FIADMM CCc1nc(SCc2cncc(OCc3ccccc3)c2)[n-]c(=O)c1C ZINC000563440847 1085413122 /nfs/dbraw/zinc/41/31/22/1085413122.db2.gz NTWZIUYTFYHPCJ-UHFFFAOYSA-N -1 1 367.474 4.319 20 0 FIADMM Cc1ccc(CCCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000045059761 1085487362 /nfs/dbraw/zinc/48/73/62/1085487362.db2.gz SBWFLIMLEWUFEK-UHFFFAOYSA-N -1 1 365.473 4.145 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c2ccccc12 ZINC000182263000 1085870610 /nfs/dbraw/zinc/87/06/10/1085870610.db2.gz IUNJAGWBEXFAKK-UHFFFAOYSA-N -1 1 372.421 4.047 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c2ccccc12 ZINC000182265491 1085886511 /nfs/dbraw/zinc/88/65/11/1085886511.db2.gz YBQZLUFBUQSLRB-UHFFFAOYSA-N -1 1 368.458 4.216 20 0 FIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000040438784 1085907514 /nfs/dbraw/zinc/90/75/14/1085907514.db2.gz XUDASENZRDHFRX-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000511214598 1085907720 /nfs/dbraw/zinc/90/77/20/1085907720.db2.gz GAASPTDRGCPWAU-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000033735692 1085960950 /nfs/dbraw/zinc/96/09/50/1085960950.db2.gz LDFCKCAQWWOMRO-UHFFFAOYSA-N -1 1 366.442 4.113 20 0 FIADMM C[C@]1(c2ccccc2)CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000652414598 1086022526 /nfs/dbraw/zinc/02/25/26/1086022526.db2.gz IMKLDBUOKZYBSX-NRFANRHFSA-N -1 1 373.880 4.471 20 0 FIADMM O=C([O-])c1cccc(Cl)c1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434727 1086043046 /nfs/dbraw/zinc/04/30/46/1086043046.db2.gz FLXBANJJUYNDNE-LBPRGKRZSA-N -1 1 366.244 4.345 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000549583772 1086286328 /nfs/dbraw/zinc/28/63/28/1086286328.db2.gz BLULBOXYXWOQFM-CABCVRRESA-N -1 1 353.809 4.178 20 0 FIADMM O=C([O-])CCC1CCN(Cc2oc3ccccc3c2Br)CC1 ZINC000662218177 1086347540 /nfs/dbraw/zinc/34/75/40/1086347540.db2.gz VSTPUGKAMVYWJT-UHFFFAOYSA-N -1 1 366.255 4.272 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662219587 1086350042 /nfs/dbraw/zinc/35/00/42/1086350042.db2.gz YQTDNPFAVWPVML-MRXNPFEDSA-N -1 1 360.498 4.022 20 0 FIADMM CC(=O)CCc1ccc(O[C@@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000278145487 1086429174 /nfs/dbraw/zinc/42/91/74/1086429174.db2.gz LPBBPEWSWXLIHV-ZDUSSCGKSA-N -1 1 370.380 4.243 20 0 FIADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](c2ccsc2)O1 ZINC000150869397 1086510926 /nfs/dbraw/zinc/51/09/26/1086510926.db2.gz JLEBVKOVONKHGV-BFUOFWGJSA-N -1 1 353.443 4.209 20 0 FIADMM CSc1ccc(F)cc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000467014113 1086644812 /nfs/dbraw/zinc/64/48/12/1086644812.db2.gz MEIYCKFXOQOCTM-UHFFFAOYSA-N -1 1 370.453 4.334 20 0 FIADMM COc1cc(C(=O)Nc2nc3c(s2)CCCC3(C)C)cc(Cl)c1[O-] ZINC000427616291 1086669243 /nfs/dbraw/zinc/66/92/43/1086669243.db2.gz VFCKIZNVRHEPGR-UHFFFAOYSA-N -1 1 366.870 4.377 20 0 FIADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000583543529 1086784554 /nfs/dbraw/zinc/78/45/54/1086784554.db2.gz HWEAPDUJPDJAKR-UHFFFAOYSA-N -1 1 350.443 4.387 20 0 FIADMM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]c1ccc(C2CCC2)cn1 ZINC000583546520 1086786857 /nfs/dbraw/zinc/78/68/57/1086786857.db2.gz KVOKZVITWIXFSA-UHFFFAOYSA-N -1 1 352.406 4.229 20 0 FIADMM COc1cccc(C2([NH2+]Cc3cccc(O)c3Br)CCC2)c1 ZINC000657778946 1086906806 /nfs/dbraw/zinc/90/68/06/1086906806.db2.gz MTXQADNEULZYKN-UHFFFAOYSA-N -1 1 362.267 4.332 20 0 FIADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1nc(-c2ccccc2)cs1 ZINC000536101691 1086912361 /nfs/dbraw/zinc/91/23/61/1086912361.db2.gz AICVVYYRMLLOLT-SNVBAGLBSA-N -1 1 360.385 4.285 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cc(Cl)ccc1Cl ZINC001211598309 1086969093 /nfs/dbraw/zinc/96/90/93/1086969093.db2.gz PQBAAIYENYGBQZ-QMMMGPOBSA-N -1 1 366.216 4.311 20 0 FIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1cc(F)c(F)cc1F ZINC000151531873 1087136231 /nfs/dbraw/zinc/13/62/31/1087136231.db2.gz RZHXRAKRWJLMMI-UHFFFAOYSA-N -1 1 366.083 4.397 20 0 FIADMM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000080932249 1087284101 /nfs/dbraw/zinc/28/41/01/1087284101.db2.gz JREAQOXUQLPBJP-UHFFFAOYSA-N -1 1 355.419 4.279 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000164667127 1087516883 /nfs/dbraw/zinc/51/68/83/1087516883.db2.gz BUGRZQRQRRPCDR-UHFFFAOYSA-N -1 1 359.834 4.497 20 0 FIADMM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000685438829 1087570350 /nfs/dbraw/zinc/57/03/50/1087570350.db2.gz BZNZSTRPYKTAQT-UHFFFAOYSA-N -1 1 368.383 4.395 20 0 FIADMM O=C(Cc1cccc(C(F)F)c1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000468413504 1087663338 /nfs/dbraw/zinc/66/33/38/1087663338.db2.gz WIRDVUNAAANAAN-UHFFFAOYSA-N -1 1 367.808 4.332 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1cccc(Cl)c1 ZINC000612054789 1087715505 /nfs/dbraw/zinc/71/55/05/1087715505.db2.gz PKAVZXUYIIETKE-UHFFFAOYSA-N -1 1 350.852 4.264 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccc2c(c1)CCC2 ZINC000612054812 1087715554 /nfs/dbraw/zinc/71/55/54/1087715554.db2.gz SXYZNLYNRCOUJI-UHFFFAOYSA-N -1 1 356.472 4.100 20 0 FIADMM COc1ccccc1-c1nc(CN2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000424263625 1087886508 /nfs/dbraw/zinc/88/65/08/1087886508.db2.gz RUWDWUBXAYEJIB-OAHLLOKOSA-N -1 1 360.479 4.038 20 0 FIADMM C[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H]1C(=O)[O-] ZINC000424419393 1087971742 /nfs/dbraw/zinc/97/17/42/1087971742.db2.gz OSYNYNRLMYAFTD-XHDPSFHLSA-N -1 1 350.871 4.149 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC000424411517 1087981493 /nfs/dbraw/zinc/98/14/93/1087981493.db2.gz KTEQBORCJWBVAC-LKFCYVNXSA-N -1 1 360.679 4.096 20 0 FIADMM CCOc1cc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc(Cl)c1[O-] ZINC000186822348 1087997049 /nfs/dbraw/zinc/99/70/49/1087997049.db2.gz GMHALTUCOCNRDM-UHFFFAOYSA-N -1 1 368.886 4.183 20 0 FIADMM CCOc1cc(C(=O)NCc2ccc(OC)c(Cl)c2)cc(Cl)c1[O-] ZINC000186875555 1088032580 /nfs/dbraw/zinc/03/25/80/1088032580.db2.gz QCWDVWONMXOPFF-UHFFFAOYSA-N -1 1 370.232 4.036 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(SC)c2)cc1 ZINC000414403298 1088220229 /nfs/dbraw/zinc/22/02/29/1088220229.db2.gz ZXVNSBNUOBFBHT-UHFFFAOYSA-N -1 1 371.911 4.052 20 0 FIADMM CC(C)Cc1csc2nc(-c3ccc(Br)cn3)[n-]c(=O)c12 ZINC000177359093 1088292734 /nfs/dbraw/zinc/29/27/34/1088292734.db2.gz IVGLEPLKEKJNFY-UHFFFAOYSA-N -1 1 364.268 4.008 20 0 FIADMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1ncoc1C1CC1 ZINC000505300917 1088332488 /nfs/dbraw/zinc/33/24/88/1088332488.db2.gz BJVCFMKQULIVDS-UHFFFAOYSA-N -1 1 352.375 4.069 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)ccc1OC(C)C ZINC000513818759 1088411989 /nfs/dbraw/zinc/41/19/89/1088411989.db2.gz JRVNRWJXSRCSLY-UHFFFAOYSA-N -1 1 372.446 4.238 20 0 FIADMM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000177738265 1088419830 /nfs/dbraw/zinc/41/98/30/1088419830.db2.gz FRXOQHQYSFACIP-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](c2ccsc2)O1 ZINC000180709095 1088778440 /nfs/dbraw/zinc/77/84/40/1088778440.db2.gz HACBPHNHETUDNL-BONVTDFDSA-N -1 1 371.380 4.075 20 0 FIADMM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccc([O-])cc1F ZINC000181175321 1088783842 /nfs/dbraw/zinc/78/38/42/1088783842.db2.gz ROQXAXHGFYVMHX-UHFFFAOYSA-N -1 1 364.348 4.109 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(C(F)F)cc1 ZINC000377180572 1089037913 /nfs/dbraw/zinc/03/79/13/1089037913.db2.gz UWCZSVYYOBYUCK-UHFFFAOYSA-N -1 1 350.346 4.080 20 0 FIADMM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613664196 1089233811 /nfs/dbraw/zinc/23/38/11/1089233811.db2.gz JYMKIPUEZVBFGR-UHFFFAOYSA-N -1 1 362.216 4.270 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000613663811 1089240829 /nfs/dbraw/zinc/24/08/29/1089240829.db2.gz ILAFLMVXJQSOIB-UHFFFAOYSA-N -1 1 363.348 4.434 20 0 FIADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613665331 1089249244 /nfs/dbraw/zinc/24/92/44/1089249244.db2.gz TXZWINXNLFSNKY-UHFFFAOYSA-N -1 1 371.824 4.232 20 0 FIADMM Cc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)sc2nccc(C)c12 ZINC000613668083 1089271157 /nfs/dbraw/zinc/27/11/57/1089271157.db2.gz RWOAZPFACONEEP-UHFFFAOYSA-N -1 1 364.430 4.261 20 0 FIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000092929537 1089292604 /nfs/dbraw/zinc/29/26/04/1089292604.db2.gz XYMLPXZZCJEGEQ-HNNXBMFYSA-N -1 1 361.800 4.062 20 0 FIADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(-c2ccccc2Cl)cs1 ZINC000514672488 1089346391 /nfs/dbraw/zinc/34/63/91/1089346391.db2.gz LOQABGUJIJFVOA-RYUDHWBXSA-N -1 1 350.871 4.149 20 0 FIADMM CCC(CC)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177044849 1089774201 /nfs/dbraw/zinc/77/42/01/1089774201.db2.gz HTIRCTMSDBZJHP-UHFFFAOYSA-N -1 1 356.447 4.131 20 0 FIADMM CN(C)c1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000515239342 1089918216 /nfs/dbraw/zinc/91/82/16/1089918216.db2.gz ACTCHYKHWGVIPO-UHFFFAOYSA-N -1 1 369.646 4.126 20 0 FIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc2)n1 ZINC000460824574 1089995238 /nfs/dbraw/zinc/99/52/38/1089995238.db2.gz RXVQEHQITQNNOH-UHFFFAOYSA-N -1 1 371.437 4.009 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1nccs1 ZINC000187998319 1090133187 /nfs/dbraw/zinc/13/31/87/1090133187.db2.gz COXZQXDKOZLYEV-QMMMGPOBSA-N -1 1 369.270 4.019 20 0 FIADMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000536222379 1090411823 /nfs/dbraw/zinc/41/18/23/1090411823.db2.gz ZOSSJHXAQQOQMA-UHFFFAOYSA-N -1 1 373.815 4.168 20 0 FIADMM COc1ccc2nc(CN[C@@H](CCC(=O)[O-])c3ccccc3)sc2c1 ZINC000417590568 1090934570 /nfs/dbraw/zinc/93/45/70/1090934570.db2.gz BYOLGUUQVTVATQ-HNNXBMFYSA-N -1 1 356.447 4.001 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H](NCc2c(F)cccc2OC(F)(F)F)c2ccccc21 ZINC000417636015 1090946925 /nfs/dbraw/zinc/94/69/25/1090946925.db2.gz XAHJUZKIQCOSSI-IUODEOHRSA-N -1 1 369.314 4.127 20 0 FIADMM Cc1cc(CNCc2cn(-c3ccccc3)nc2C(C)C)ccc1C(=O)[O-] ZINC000417668150 1090957761 /nfs/dbraw/zinc/95/77/61/1090957761.db2.gz JOSBNJBILSDICP-UHFFFAOYSA-N -1 1 363.461 4.292 20 0 FIADMM CCCOc1c(CNCc2ccc(C(=O)[O-])c(C)c2)cccc1OCC ZINC000417668483 1090958502 /nfs/dbraw/zinc/95/85/02/1090958502.db2.gz KOBZPUNDPMVDPQ-UHFFFAOYSA-N -1 1 357.450 4.171 20 0 FIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@H]1CC12CCC2 ZINC000759850153 1091321296 /nfs/dbraw/zinc/32/12/96/1091321296.db2.gz XWOYPCXUOBUSRG-CQSZACIVSA-N -1 1 366.442 4.297 20 0 FIADMM Cc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043357268 1091589345 /nfs/dbraw/zinc/58/93/45/1091589345.db2.gz WDKQBOAUMFHUFV-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM Cc1cc(C(F)(F)F)cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000663738496 1091841196 /nfs/dbraw/zinc/84/11/96/1091841196.db2.gz BFGXFFPCCQCNCE-UHFFFAOYSA-N -1 1 364.367 4.214 20 0 FIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432649753 1092030440 /nfs/dbraw/zinc/03/04/40/1092030440.db2.gz UUUWNDMAPAMVNI-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2csc(Cl)c2Cl)[n-]c1=O ZINC000432695746 1092123443 /nfs/dbraw/zinc/12/34/43/1092123443.db2.gz NAINEKPOBFNUMH-QPJJXVBHSA-N -1 1 359.234 4.288 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(-c3cccs3)s2)[n-]c1=O ZINC000432696984 1092124242 /nfs/dbraw/zinc/12/42/42/1092124242.db2.gz VDWKISVPAZMMHA-YFHOEESVSA-N -1 1 373.459 4.104 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cccc(Cl)c1F ZINC000442233666 1092505540 /nfs/dbraw/zinc/50/55/40/1092505540.db2.gz MKFUYYWHXKNEHT-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM Cc1ccc(-c2ccsc2C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000067071663 1092749723 /nfs/dbraw/zinc/74/97/23/1092749723.db2.gz ALQMVSDZYASNCN-UHFFFAOYSA-N -1 1 372.519 4.489 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1Br ZINC000110138573 1092766356 /nfs/dbraw/zinc/76/63/56/1092766356.db2.gz HVQIRNMJMRWSSN-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cnccc1C(F)(F)F ZINC000442808427 1092782418 /nfs/dbraw/zinc/78/24/18/1092782418.db2.gz HGJWLNSXVAFRSD-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1OCC ZINC000442848711 1092792142 /nfs/dbraw/zinc/79/21/42/1092792142.db2.gz MXBROLOSSWDNKL-UHFFFAOYSA-N -1 1 361.419 4.031 20 0 FIADMM COc1cc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)cc(Cl)c1[O-] ZINC000442849975 1092793194 /nfs/dbraw/zinc/79/31/94/1092793194.db2.gz HTRLDLYSSJMKJZ-SECBINFHSA-N -1 1 355.768 4.166 20 0 FIADMM COc1cccc2c1C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001143548633 1092847467 /nfs/dbraw/zinc/84/74/67/1092847467.db2.gz KFXXLESTEHWICQ-GFCCVEGCSA-N -1 1 365.351 4.163 20 0 FIADMM COc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc(Cl)c1[O-] ZINC000442977834 1092885417 /nfs/dbraw/zinc/88/54/17/1092885417.db2.gz BAQXNYWWOAIOML-ZANVPECISA-N -1 1 370.207 4.133 20 0 FIADMM COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc(Cl)c1[O-] ZINC000442966814 1092894134 /nfs/dbraw/zinc/89/41/34/1092894134.db2.gz NPQFFDDGOSEVNB-UHFFFAOYSA-N -1 1 370.792 4.494 20 0 FIADMM COc1cc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc(Cl)c1[O-] ZINC000442972591 1092900295 /nfs/dbraw/zinc/90/02/95/1092900295.db2.gz MGSKVRFSANTGPM-UHFFFAOYSA-N -1 1 363.816 4.041 20 0 FIADMM COc1cc(C(=O)Nc2ccc(C)c(OC(F)F)c2)cc(Cl)c1[O-] ZINC000442981574 1092905687 /nfs/dbraw/zinc/90/56/87/1092905687.db2.gz VJAOFIZMOFFVAO-UHFFFAOYSA-N -1 1 357.740 4.216 20 0 FIADMM O=c1[nH]c(Cc2cccc(Br)c2[O-])nc2ccc(Cl)cc12 ZINC000443062312 1092923837 /nfs/dbraw/zinc/92/38/37/1092923837.db2.gz WROSGBDRCLMMRM-UHFFFAOYSA-N -1 1 365.614 4.048 20 0 FIADMM COc1cc(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc(Cl)c1[O-] ZINC000443116031 1092950774 /nfs/dbraw/zinc/95/07/74/1092950774.db2.gz JITJIXYKJZPADL-UHFFFAOYSA-N -1 1 371.767 4.372 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)cc(Cl)c1[O-] ZINC000443126535 1092955218 /nfs/dbraw/zinc/95/52/18/1092955218.db2.gz BATODDNUDIHMJX-WDEREUQCSA-N -1 1 363.816 4.341 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)cc(Cl)c1[O-] ZINC000443201207 1092989282 /nfs/dbraw/zinc/98/92/82/1092989282.db2.gz HUCARDQIOPBCSM-VIFPVBQESA-N -1 1 362.838 4.155 20 0 FIADMM CCCCCn1nc(C)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443294621 1093037644 /nfs/dbraw/zinc/03/76/44/1093037644.db2.gz LLEFARAYIBHLJE-UHFFFAOYSA-N -1 1 351.834 4.002 20 0 FIADMM COc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000443308855 1093045381 /nfs/dbraw/zinc/04/53/81/1093045381.db2.gz DRKLXGJXIMWJTB-BDJLRTHQSA-N -1 1 363.816 4.417 20 0 FIADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000522067498 1093057986 /nfs/dbraw/zinc/05/79/86/1093057986.db2.gz ADZANWNJNYCXIU-SNVBAGLBSA-N -1 1 373.865 4.364 20 0 FIADMM Cc1ccncc1[N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000443358147 1093076628 /nfs/dbraw/zinc/07/66/28/1093076628.db2.gz MNFYLZSSCKIYIF-UHFFFAOYSA-N -1 1 360.479 4.150 20 0 FIADMM Cc1cccn(Cc2c(F)cccc2NCc2cccc([O-])c2Cl)c1=O ZINC000645181831 1093373738 /nfs/dbraw/zinc/37/37/38/1093373738.db2.gz QRRDOHMQXHAVPM-UHFFFAOYSA-N -1 1 372.827 4.315 20 0 FIADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436015494 1094034279 /nfs/dbraw/zinc/03/42/79/1094034279.db2.gz VNSUPLDNKXUVRF-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000513251654 1094037609 /nfs/dbraw/zinc/03/76/09/1094037609.db2.gz CVBHMGLOUOMDBR-UHFFFAOYSA-N -1 1 354.840 4.004 20 0 FIADMM CCc1ccc([C@H]2CCCN(Cc3nc(=O)c4sccc4[n-]3)C2)cc1 ZINC000513372353 1094089235 /nfs/dbraw/zinc/08/92/35/1094089235.db2.gz STCCFYZNSKIXEI-INIZCTEOSA-N -1 1 353.491 4.339 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000433811544 1094110539 /nfs/dbraw/zinc/11/05/39/1094110539.db2.gz KFSOXQCHTFTHJV-UHFFFAOYSA-N -1 1 359.426 4.079 20 0 FIADMM Cc1c(NC(=O)Nc2ccc([O-])c(Cl)c2)noc1-c1ccccc1F ZINC000433934449 1094210754 /nfs/dbraw/zinc/21/07/54/1094210754.db2.gz XDGVDXRHBVAODN-UHFFFAOYSA-N -1 1 361.760 4.214 20 0 FIADMM CCOc1cc(-c2noc(C[C@H]3CCC4(CCC4)O3)n2)cc(Cl)c1[O-] ZINC000896205622 1094457394 /nfs/dbraw/zinc/45/73/94/1094457394.db2.gz TYPZGGMERFDNFY-GFCCVEGCSA-N -1 1 364.829 4.139 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCOC4(CCC4)C3)n2)cc(Cl)c1[O-] ZINC000896206029 1094457522 /nfs/dbraw/zinc/45/75/22/1094457522.db2.gz XDCZMYJPOIWBEU-NSHDSACASA-N -1 1 364.829 4.311 20 0 FIADMM Cc1ccc(F)c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1F ZINC000501752577 1094909739 /nfs/dbraw/zinc/90/97/39/1094909739.db2.gz WVGKYEISKSSDGL-UHFFFAOYSA-N -1 1 353.781 4.052 20 0 FIADMM CSC1(c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3[O-])n2)CC1 ZINC000896780704 1094973055 /nfs/dbraw/zinc/97/30/55/1094973055.db2.gz BFTSPPFXKQKTBT-UHFFFAOYSA-N -1 1 363.439 4.141 20 0 FIADMM CCc1cc(C)cc(CC)c1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000281336293 1095525936 /nfs/dbraw/zinc/52/59/36/1095525936.db2.gz XLQYWWJKTFBRDE-UHFFFAOYSA-N -1 1 373.522 4.217 20 0 FIADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000428326629 1095688346 /nfs/dbraw/zinc/68/83/46/1095688346.db2.gz PQZFMQHXTBBJOU-CZUORRHYSA-N -1 1 374.278 4.481 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000428333239 1095846411 /nfs/dbraw/zinc/84/64/11/1095846411.db2.gz UKCLPBKFSAUITD-XJKSGUPXSA-N -1 1 359.853 4.381 20 0 FIADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)o1 ZINC000414677973 1096424538 /nfs/dbraw/zinc/42/45/38/1096424538.db2.gz IQTFXTFVSQHNHU-LBPRGKRZSA-N -1 1 366.255 4.394 20 0 FIADMM Cc1cc(Br)oc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000055410585 1096648955 /nfs/dbraw/zinc/64/89/55/1096648955.db2.gz GCXYRRLBMRWFOZ-UHFFFAOYSA-N -1 1 364.224 4.121 20 0 FIADMM O=S(=O)([N-]c1ccccc1Cl)c1ccc(C(F)(F)F)cc1F ZINC000436056254 1098681573 /nfs/dbraw/zinc/68/15/73/1098681573.db2.gz SLSHRJUYGBQMSY-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1Cl ZINC000515617910 1098769366 /nfs/dbraw/zinc/76/93/66/1098769366.db2.gz FMOCTHVFMRKWBE-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c2ccccc12 ZINC000436177133 1098802553 /nfs/dbraw/zinc/80/25/53/1098802553.db2.gz QCIAJXHXGHJSGI-UHFFFAOYSA-N -1 1 366.442 4.439 20 0 FIADMM COc1ccc(C(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cc1Cl ZINC000436238714 1098844496 /nfs/dbraw/zinc/84/44/96/1098844496.db2.gz GJBMZQVCNBUUGM-SECBINFHSA-N -1 1 364.854 4.085 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000515752045 1098908996 /nfs/dbraw/zinc/90/89/96/1098908996.db2.gz OIGOQINGUFUNSD-AWEZNQCLSA-N -1 1 363.788 4.230 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000436482882 1099043822 /nfs/dbraw/zinc/04/38/22/1099043822.db2.gz BFEGTLRGAPLPFN-LLVKDONJSA-N -1 1 374.799 4.346 20 0 FIADMM CCOCCOCc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436532368 1099089505 /nfs/dbraw/zinc/08/95/05/1099089505.db2.gz XSDRPGZUZTZRHV-UHFFFAOYSA-N -1 1 357.450 4.321 20 0 FIADMM CCCCCc1nnc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)s1 ZINC000436537597 1099102705 /nfs/dbraw/zinc/10/27/05/1099102705.db2.gz SDPMVFIVTLRDOR-UHFFFAOYSA-N -1 1 369.874 4.281 20 0 FIADMM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436536029 1099102863 /nfs/dbraw/zinc/10/28/63/1099102863.db2.gz BWCHCGORKYTBTJ-GOSISDBHSA-N -1 1 361.441 4.401 20 0 FIADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436541836 1099106775 /nfs/dbraw/zinc/10/67/75/1099106775.db2.gz ZCLZTDWPTFCPNI-FQEVSTJZSA-N -1 1 371.440 4.409 20 0 FIADMM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436541538 1099107772 /nfs/dbraw/zinc/10/77/72/1099107772.db2.gz YDZKUAOYOPHEHR-AWEZNQCLSA-N -1 1 370.424 4.107 20 0 FIADMM CC(C)(NC(=O)c1ccc(Cl)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436577493 1099113976 /nfs/dbraw/zinc/11/39/76/1099113976.db2.gz UOEPVDGTSIRLNM-UHFFFAOYSA-N -1 1 364.776 4.186 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccc(Br)cc1 ZINC000436561457 1099114808 /nfs/dbraw/zinc/11/48/08/1099114808.db2.gz JAALZEURELJRJC-HNNXBMFYSA-N -1 1 364.214 4.271 20 0 FIADMM COCCSc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436560553 1099115050 /nfs/dbraw/zinc/11/50/50/1099115050.db2.gz DOQDMEQULYOIJZ-GFCCVEGCSA-N -1 1 365.882 4.275 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000436567947 1099118073 /nfs/dbraw/zinc/11/80/73/1099118073.db2.gz QAKJJOOSQFJKLY-SFHVURJKSA-N -1 1 361.397 4.251 20 0 FIADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436569409 1099119676 /nfs/dbraw/zinc/11/96/76/1099119676.db2.gz DHYMSWHXROEVHT-CJNGLKHVSA-N -1 1 374.278 4.421 20 0 FIADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000436569411 1099120086 /nfs/dbraw/zinc/12/00/86/1099120086.db2.gz DHYMSWHXROEVHT-XJKSGUPXSA-N -1 1 374.278 4.421 20 0 FIADMM CCc1nnc(-c2ccc(NC(=O)c3ccc(C(C)C)cc3[O-])cc2)o1 ZINC000436572714 1099121935 /nfs/dbraw/zinc/12/19/35/1099121935.db2.gz GDJYMOMWZNHKIN-UHFFFAOYSA-N -1 1 351.406 4.380 20 0 FIADMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436574234 1099123254 /nfs/dbraw/zinc/12/32/54/1099123254.db2.gz JQWNROFHTMCTST-UHFFFAOYSA-N -1 1 371.440 4.062 20 0 FIADMM O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc2ccccc2cc1[O-] ZINC000436581711 1099130485 /nfs/dbraw/zinc/13/04/85/1099130485.db2.gz GDRCVEQNELEOHR-UHFFFAOYSA-N -1 1 370.408 4.008 20 0 FIADMM Cc1csc(Sc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)n1 ZINC000436601832 1099138757 /nfs/dbraw/zinc/13/87/57/1099138757.db2.gz CJQXTYPLOSEVMH-UHFFFAOYSA-N -1 1 358.444 4.266 20 0 FIADMM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(O)cc1[O-] ZINC000436622556 1099169746 /nfs/dbraw/zinc/16/97/46/1099169746.db2.gz XIEKQMXMYZMMLR-UHFFFAOYSA-N -1 1 356.765 4.191 20 0 FIADMM CC(C)c1nc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccccc1F ZINC000436622592 1099170023 /nfs/dbraw/zinc/17/00/23/1099170023.db2.gz DITJEXGWYCFSND-UHFFFAOYSA-N -1 1 374.803 4.141 20 0 FIADMM COc1cc(F)c([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000436646960 1099186511 /nfs/dbraw/zinc/18/65/11/1099186511.db2.gz ICTKHYJPPPGHLY-LBPRGKRZSA-N -1 1 369.392 4.193 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc2ccccc2cc1[O-] ZINC000436662216 1099192669 /nfs/dbraw/zinc/19/26/69/1099192669.db2.gz ILXXNZKLSHNKQX-QFIPXVFZSA-N -1 1 354.409 4.460 20 0 FIADMM O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000436689947 1099222327 /nfs/dbraw/zinc/22/23/27/1099222327.db2.gz PGDHBTHZLQRARX-ICSRJNTNSA-N -1 1 369.367 4.084 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(-n3cc(Cl)cn3)c(F)c2)no1 ZINC000436690858 1099225042 /nfs/dbraw/zinc/22/50/42/1099225042.db2.gz WAGTVDAHVIQNGW-UHFFFAOYSA-N -1 1 374.734 4.227 20 0 FIADMM COc1cc(-c2noc(-c3ccc(F)cc3)n2)cc(Br)c1[O-] ZINC000445396576 1099230318 /nfs/dbraw/zinc/23/03/18/1099230318.db2.gz XPJHPWDYUCEFMM-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM COc1ccc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436699669 1099233051 /nfs/dbraw/zinc/23/30/51/1099233051.db2.gz RGKGHGUTUOZGHL-UHFFFAOYSA-N -1 1 365.351 4.476 20 0 FIADMM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436703296 1099238289 /nfs/dbraw/zinc/23/82/89/1099238289.db2.gz GKXJOKHUKWOVSR-UHFFFAOYSA-N -1 1 361.323 4.362 20 0 FIADMM CC(=O)N1CCCc2cc(NC(=O)c3cc4ccccc4cc3[O-])ccc21 ZINC000436706837 1099239937 /nfs/dbraw/zinc/23/99/37/1099239937.db2.gz DJQKYWZBGHVLQS-UHFFFAOYSA-N -1 1 360.413 4.097 20 0 FIADMM O=C(Nc1nnc(-c2ccsc2)s1)c1cc2ccccc2cc1[O-] ZINC000436723356 1099255130 /nfs/dbraw/zinc/25/51/30/1099255130.db2.gz QDDXMNQPMWLMDX-UHFFFAOYSA-N -1 1 353.428 4.378 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436728092 1099265802 /nfs/dbraw/zinc/26/58/02/1099265802.db2.gz HQMMVZRKNHETJO-KRWDZBQOSA-N -1 1 355.743 4.035 20 0 FIADMM O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc2ccccc2cc1[O-] ZINC000436759002 1099273502 /nfs/dbraw/zinc/27/35/02/1099273502.db2.gz QBTOXRBFSLJPKX-UHFFFAOYSA-N -1 1 360.413 4.034 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000436763934 1099279719 /nfs/dbraw/zinc/27/97/19/1099279719.db2.gz NOJPPLRTIWPOPE-UHFFFAOYSA-N -1 1 365.326 4.480 20 0 FIADMM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000436753085 1099287097 /nfs/dbraw/zinc/28/70/97/1099287097.db2.gz ZWCQOEDLKAKQJV-AWEZNQCLSA-N -1 1 361.825 4.246 20 0 FIADMM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000436756431 1099291797 /nfs/dbraw/zinc/29/17/97/1099291797.db2.gz QSCDZVFSDXPBJC-UHFFFAOYSA-N -1 1 360.413 4.034 20 0 FIADMM Nc1nc(C2CCCC2)ncc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436776996 1099296879 /nfs/dbraw/zinc/29/68/79/1099296879.db2.gz BDKQJUJBPKTRPM-UHFFFAOYSA-N -1 1 373.416 4.123 20 0 FIADMM COc1ccccc1CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000436764743 1099303808 /nfs/dbraw/zinc/30/38/08/1099303808.db2.gz UDQWADDRIPPUDN-UHFFFAOYSA-N -1 1 365.351 4.224 20 0 FIADMM CCOc1cc(-c2noc(-c3cccs3)n2)cc(Br)c1[O-] ZINC000436765651 1099306621 /nfs/dbraw/zinc/30/66/21/1099306621.db2.gz CJEJJHDPETZEHQ-UHFFFAOYSA-N -1 1 367.224 4.332 20 0 FIADMM Cc1ccc(-c2nc(CCNC(=O)c3ccc4ccccc4c3[O-])co2)cc1 ZINC000436786928 1099318508 /nfs/dbraw/zinc/31/85/08/1099318508.db2.gz UFBLDERJSHCXRW-UHFFFAOYSA-N -1 1 372.424 4.481 20 0 FIADMM CC[C@H](CC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1)C(C)C ZINC000068424177 1099326961 /nfs/dbraw/zinc/32/69/61/1099326961.db2.gz MEZCMPIGPKOJFR-CYBMUJFWSA-N -1 1 350.532 4.054 20 0 FIADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436816904 1099328275 /nfs/dbraw/zinc/32/82/75/1099328275.db2.gz GUZOVUPYBNKHPE-JLHYYAGUSA-N -1 1 360.251 4.330 20 0 FIADMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069651516 1099333414 /nfs/dbraw/zinc/33/34/14/1099333414.db2.gz IWPCVJVMNGLIJY-LPHOPBHVSA-N -1 1 361.445 4.134 20 0 FIADMM COCCC[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000436820496 1099349047 /nfs/dbraw/zinc/34/90/47/1099349047.db2.gz RFXNCUYIHFYEGH-AWEZNQCLSA-N -1 1 365.832 4.125 20 0 FIADMM CC(C)n1c(CCNC(=O)c2cc3ccccc3cc2[O-])nc2ccccc21 ZINC000436845463 1099365295 /nfs/dbraw/zinc/36/52/95/1099365295.db2.gz SOABNFROXUFIAX-UHFFFAOYSA-N -1 1 373.456 4.449 20 0 FIADMM CCc1ccc([C@H]2CCN(C(=O)c3cc(Cl)c([O-])c(OC)c3)C2)cc1 ZINC000436852028 1099369382 /nfs/dbraw/zinc/36/93/82/1099369382.db2.gz NJDVGZSQFZEXQJ-HNNXBMFYSA-N -1 1 359.853 4.246 20 0 FIADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436865287 1099375679 /nfs/dbraw/zinc/37/56/79/1099375679.db2.gz QWQAKFXDOCJABT-NSHDSACASA-N -1 1 355.278 4.214 20 0 FIADMM C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)n1ccc2ccccc2c1=O ZINC000436869009 1099378178 /nfs/dbraw/zinc/37/81/78/1099378178.db2.gz BWSUAAJHGJTLEN-NSHDSACASA-N -1 1 367.792 4.020 20 0 FIADMM COc1cc(-c2noc(C(C)(C)C(C)C)n2)cc(Br)c1[O-] ZINC000436870283 1099380373 /nfs/dbraw/zinc/38/03/73/1099380373.db2.gz DHXZTOIMGGIADN-UHFFFAOYSA-N -1 1 355.232 4.147 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000436870055 1099380487 /nfs/dbraw/zinc/38/04/87/1099380487.db2.gz NBABKMPTYCGJQE-KRWDZBQOSA-N -1 1 367.470 4.428 20 0 FIADMM CCOc1cc(-c2noc(-c3c4ccccc4nn3C)n2)cc(Cl)c1[O-] ZINC000436870674 1099381382 /nfs/dbraw/zinc/38/13/82/1099381382.db2.gz HVGYGHJBCVEKDK-UHFFFAOYSA-N -1 1 370.796 4.048 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H]3CCC[C@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436874607 1099387805 /nfs/dbraw/zinc/38/78/05/1099387805.db2.gz AILBONKRCWRTGA-YPMHNXCESA-N -1 1 366.845 4.242 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1F ZINC000436874425 1099387991 /nfs/dbraw/zinc/38/79/91/1099387991.db2.gz QIPHVOJEIHNVJJ-UWVGGRQHSA-N -1 1 350.271 4.270 20 0 FIADMM COc1cc(-c2noc(-c3c(C)coc3C)n2)cc(Br)c1[O-] ZINC000436876722 1099392310 /nfs/dbraw/zinc/39/23/10/1099392310.db2.gz BAUPXLZLPCEPGV-UHFFFAOYSA-N -1 1 365.183 4.090 20 0 FIADMM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccc2ccccc2c1F ZINC001212042179 1099394068 /nfs/dbraw/zinc/39/40/68/1099394068.db2.gz AWBRCIOYXGUCEF-UHFFFAOYSA-N -1 1 365.376 4.049 20 0 FIADMM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436879399 1099396747 /nfs/dbraw/zinc/39/67/47/1099396747.db2.gz NCEBQDVLGYXTHU-ZDUSSCGKSA-N -1 1 351.402 4.054 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c([O-])c1 ZINC000436885294 1099399898 /nfs/dbraw/zinc/39/98/98/1099399898.db2.gz HJDSKPFMXMKDED-UHFFFAOYSA-N -1 1 351.406 4.108 20 0 FIADMM O=C(NCCSCc1cccc2ccccc21)c1ccc([O-])cc1F ZINC000436882552 1099400823 /nfs/dbraw/zinc/40/08/23/1099400823.db2.gz SPATUSGQZKDXGI-UHFFFAOYSA-N -1 1 355.434 4.348 20 0 FIADMM CCOc1cc(-c2nc(Cc3ccc(C)s3)no2)cc(Cl)c1[O-] ZINC000436886338 1099402055 /nfs/dbraw/zinc/40/20/55/1099402055.db2.gz MUCUHYCRGOQXET-UHFFFAOYSA-N -1 1 350.827 4.455 20 0 FIADMM COc1ccc(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)c([O-])c1 ZINC000436892031 1099409228 /nfs/dbraw/zinc/40/92/28/1099409228.db2.gz JZZVIRISNDBUGW-UHFFFAOYSA-N -1 1 373.821 4.305 20 0 FIADMM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1c(O)cccc1F ZINC000436893121 1099411023 /nfs/dbraw/zinc/41/10/23/1099411023.db2.gz NXHIDQKNKZLWBJ-UHFFFAOYSA-N -1 1 350.560 4.449 20 0 FIADMM [O-]c1c(-c2nc(-c3ccnc(N4CCCC4)c3)no2)ccc2ccccc21 ZINC000436892511 1099411074 /nfs/dbraw/zinc/41/10/74/1099411074.db2.gz KCIOSCWNYDSGCY-UHFFFAOYSA-N -1 1 358.401 4.258 20 0 FIADMM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000436892386 1099411468 /nfs/dbraw/zinc/41/14/68/1099411468.db2.gz LEVJRFVMGBVGRN-UHFFFAOYSA-N -1 1 364.376 4.064 20 0 FIADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)c2ccccc21 ZINC000436908031 1099416432 /nfs/dbraw/zinc/41/64/32/1099416432.db2.gz LSHZRPJREKEDLW-LBPRGKRZSA-N -1 1 353.805 4.259 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2Br)[C@H]2CCC[C@@H]21 ZINC000629374937 1099420562 /nfs/dbraw/zinc/42/05/62/1099420562.db2.gz XENIMPMUJYRCIK-NFAWXSAZSA-N -1 1 372.690 4.178 20 0 FIADMM O=C(Nc1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)c1)c1ccco1 ZINC000436895977 1099421282 /nfs/dbraw/zinc/42/12/82/1099421282.db2.gz WSOLKDVBPFIWSN-UHFFFAOYSA-N -1 1 365.320 4.094 20 0 FIADMM CC[C@H](C)n1nc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1C ZINC000436896515 1099423218 /nfs/dbraw/zinc/42/32/18/1099423218.db2.gz ZCNVKWZZYHVVCN-JTQLQIEISA-N -1 1 366.259 4.191 20 0 FIADMM Cc1cc([C@@H]2CN(C(=O)c3cc4ccccc4cc3[O-])CCO2)ccc1F ZINC000436918950 1099434771 /nfs/dbraw/zinc/43/47/71/1099434771.db2.gz LKDLAJMWTODSGX-NRFANRHFSA-N -1 1 365.404 4.207 20 0 FIADMM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc2ccccc2c1[O-] ZINC000436941081 1099452950 /nfs/dbraw/zinc/45/29/50/1099452950.db2.gz ONQYLCVGRRITIH-PXNSSMCTSA-N -1 1 365.404 4.335 20 0 FIADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436943879 1099454679 /nfs/dbraw/zinc/45/46/79/1099454679.db2.gz HFPDEGLQYAJYKX-ZIAGYGMSSA-N -1 1 374.278 4.481 20 0 FIADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000436993608 1099498647 /nfs/dbraw/zinc/49/86/47/1099498647.db2.gz DXQZIPCKSWOOJW-CQSZACIVSA-N -1 1 363.388 4.258 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C)C2)c1 ZINC000030015125 1099515846 /nfs/dbraw/zinc/51/58/46/1099515846.db2.gz NFVYBFSJOHRWQU-GOEBONIOSA-N -1 1 358.511 4.001 20 0 FIADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000516481464 1099525573 /nfs/dbraw/zinc/52/55/73/1099525573.db2.gz AXDHNDPBHRJIRI-CQSZACIVSA-N -1 1 367.474 4.405 20 0 FIADMM CC1(C)CCC[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000476003225 1099609421 /nfs/dbraw/zinc/60/94/21/1099609421.db2.gz XUUKCAQWADOIKH-SFHVURJKSA-N -1 1 372.490 4.252 20 0 FIADMM Cc1nc(-c2ccc(N(C)C[C@H]3CCc4ccccc43)nc2)[n-]c(=O)c1C ZINC000664614892 1099707395 /nfs/dbraw/zinc/70/73/95/1099707395.db2.gz DITZHFPZQWMWEN-GOSISDBHSA-N -1 1 360.461 4.027 20 0 FIADMM CCCC[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000262714261 1099733988 /nfs/dbraw/zinc/73/39/88/1099733988.db2.gz RBJSTCBKMVFMGT-OAHLLOKOSA-N -1 1 366.255 4.442 20 0 FIADMM CCCOc1c(Cl)cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1OCC ZINC000263088999 1099762522 /nfs/dbraw/zinc/76/25/22/1099762522.db2.gz ADEIUTLODHYZQD-UKRRQHHQSA-N -1 1 369.889 4.213 20 0 FIADMM CCOc1ccc(-c2nc(CN3CCC[C@@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000263142195 1099767112 /nfs/dbraw/zinc/76/71/12/1099767112.db2.gz OLEFKLIKZQVRKN-HNNXBMFYSA-N -1 1 374.506 4.286 20 0 FIADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000263393445 1099787013 /nfs/dbraw/zinc/78/70/13/1099787013.db2.gz FXPRIFOENQZAMM-HNNXBMFYSA-N -1 1 364.239 4.148 20 0 FIADMM C[C@@H]1[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCN1c1ccccc1 ZINC000517057391 1100005847 /nfs/dbraw/zinc/00/58/47/1100005847.db2.gz PRMXDDIQZQERSQ-IUODEOHRSA-N -1 1 355.825 4.478 20 0 FIADMM CCc1nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c(=O)c1C ZINC000517395492 1100347695 /nfs/dbraw/zinc/34/76/95/1100347695.db2.gz JOGGMRRHMFOFMZ-NSHDSACASA-N -1 1 365.886 4.134 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000536877169 1100399251 /nfs/dbraw/zinc/39/92/51/1100399251.db2.gz PWNYTNJICLCQBK-UHFFFAOYSA-N -1 1 356.372 4.172 20 0 FIADMM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2o1 ZINC000517518976 1100448867 /nfs/dbraw/zinc/44/88/67/1100448867.db2.gz ZJODZZSGYIATIN-UHFFFAOYSA-N -1 1 362.426 4.356 20 0 FIADMM Cc1nc(-c2ccc(NCC(C)(C)CC(F)(F)F)nc2)[n-]c(=O)c1C ZINC000664696155 1100654873 /nfs/dbraw/zinc/65/48/73/1100654873.db2.gz LNMBVTCKTUEYFX-UHFFFAOYSA-N -1 1 354.376 4.252 20 0 FIADMM O=c1nc(CN2CCC[C@]3(CCCc4ccccc43)C2)[n-]c2ccsc21 ZINC000438555095 1100759539 /nfs/dbraw/zinc/75/95/39/1100759539.db2.gz VYIWKMAQZATQRP-OAQYLSRUSA-N -1 1 365.502 4.267 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438719750 1100882712 /nfs/dbraw/zinc/88/27/12/1100882712.db2.gz DPISHENICKIGOT-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1 ZINC000438762170 1100901854 /nfs/dbraw/zinc/90/18/54/1100901854.db2.gz ATFCVNKOWGDJJI-UHFFFAOYSA-N -1 1 361.492 4.140 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3C)cc2)cs1 ZINC000438788848 1100917349 /nfs/dbraw/zinc/91/73/49/1100917349.db2.gz GSEKNMCCIUGZKF-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000438801617 1100920242 /nfs/dbraw/zinc/92/02/42/1100920242.db2.gz MYGVPTDONTYEQH-UHFFFAOYSA-N -1 1 372.421 4.467 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438792486 1100922056 /nfs/dbraw/zinc/92/20/56/1100922056.db2.gz JBOYWILURRGOOQ-UHFFFAOYSA-N -1 1 372.259 4.260 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000438794710 1100923806 /nfs/dbraw/zinc/92/38/06/1100923806.db2.gz NOXWDKVVZDJGQM-UHFFFAOYSA-N -1 1 368.296 4.429 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1Oc1cccnc1 ZINC000438819800 1100929926 /nfs/dbraw/zinc/92/99/26/1100929926.db2.gz PYEHUJYMSRBPLZ-UHFFFAOYSA-N -1 1 372.421 4.431 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C)sc2C)cc1Cl ZINC000509545085 1100941930 /nfs/dbraw/zinc/94/19/30/1100941930.db2.gz YGCIKIPNDNPVRQ-UHFFFAOYSA-N -1 1 366.291 4.481 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1F ZINC000509575297 1100969000 /nfs/dbraw/zinc/96/90/00/1100969000.db2.gz VIYWZMTWQCNUAH-UHFFFAOYSA-N -1 1 363.435 4.364 20 0 FIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1 ZINC000518247073 1101032254 /nfs/dbraw/zinc/03/22/54/1101032254.db2.gz KPUQJAHKEYWKMR-UHFFFAOYSA-N -1 1 372.471 4.397 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000439072809 1101125521 /nfs/dbraw/zinc/12/55/21/1101125521.db2.gz RYBMPUJTNBCKBF-AVRDEDQJSA-N -1 1 359.429 4.015 20 0 FIADMM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc([O-])c1F ZINC001626420771 1101346090 /nfs/dbraw/zinc/34/60/90/1101346090.db2.gz SMINRTLWTFRJIP-UHFFFAOYSA-N -1 1 350.393 4.077 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)cc1 ZINC000537037539 1101411319 /nfs/dbraw/zinc/41/13/19/1101411319.db2.gz NMBYGGGKFRGHLG-UHFFFAOYSA-N -1 1 363.479 4.059 20 0 FIADMM CC[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CCCCC1 ZINC000586271565 1101619072 /nfs/dbraw/zinc/61/90/72/1101619072.db2.gz UASHRZYCZCTNFC-FQEVSTJZSA-N -1 1 372.509 4.355 20 0 FIADMM CC(C)Cc1csc2nc(-c3ccc(Br)nc3)[n-]c(=O)c12 ZINC000841497557 1101649893 /nfs/dbraw/zinc/64/98/93/1101649893.db2.gz JDGJCQDUXPWERM-UHFFFAOYSA-N -1 1 364.268 4.420 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)ccc1F ZINC000518860923 1101655124 /nfs/dbraw/zinc/65/51/24/1101655124.db2.gz UNMOHYFACFJIIM-UHFFFAOYSA-N -1 1 362.470 4.315 20 0 FIADMM COc1cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000426475515 1101710932 /nfs/dbraw/zinc/71/09/32/1101710932.db2.gz MLPZHTHAXDOGHK-PHIMTYICSA-N -1 1 365.779 4.247 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nn1C1CCCCC1 ZINC000537356356 1101712765 /nfs/dbraw/zinc/71/27/65/1101712765.db2.gz FWGFFJRFKMYOIT-UHFFFAOYSA-N -1 1 365.437 4.045 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c(C)c1O ZINC000506687848 1101790497 /nfs/dbraw/zinc/79/04/97/1101790497.db2.gz CZBWDPJRMIXGFK-UHFFFAOYSA-N -1 1 353.443 4.477 20 0 FIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000024432111 1101824964 /nfs/dbraw/zinc/82/49/64/1101824964.db2.gz WISBIIFMGGFQBV-UHFFFAOYSA-N -1 1 366.870 4.125 20 0 FIADMM O=c1nc([C@H]2COc3ccccc3O2)[n-]c2sc(-c3ccccc3)cc21 ZINC000012977995 1101863857 /nfs/dbraw/zinc/86/38/57/1101863857.db2.gz IQOFFRIEHWULTG-MRXNPFEDSA-N -1 1 362.410 4.164 20 0 FIADMM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccccc1[O-] ZINC000116686673 1101871126 /nfs/dbraw/zinc/87/11/26/1101871126.db2.gz JCRPCFPFPYEFAC-RUZDIDTESA-N -1 1 357.475 4.226 20 0 FIADMM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccccc1[O-] ZINC000116686671 1101872577 /nfs/dbraw/zinc/87/25/77/1101872577.db2.gz JCRPCFPFPYEFAC-VWLOTQADSA-N -1 1 357.475 4.226 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c(Cl)cc1F ZINC000760311213 1101903079 /nfs/dbraw/zinc/90/30/79/1101903079.db2.gz LIVYPFLTWMCGSX-UHFFFAOYSA-N -1 1 368.861 4.189 20 0 FIADMM Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000439948079 1101915002 /nfs/dbraw/zinc/91/50/02/1101915002.db2.gz GRDHIAMJQXKZGA-UHFFFAOYSA-N -1 1 356.813 4.399 20 0 FIADMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2s1 ZINC000519122238 1101945532 /nfs/dbraw/zinc/94/55/32/1101945532.db2.gz NPGLVLXYOHHQGB-UHFFFAOYSA-N -1 1 350.440 4.360 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000614813527 1101970770 /nfs/dbraw/zinc/97/07/70/1101970770.db2.gz VVNPZPSBXWYONX-UHFFFAOYSA-N -1 1 367.295 4.108 20 0 FIADMM CC(C)N(Cc1ccccc1F)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001625961216 1101999285 /nfs/dbraw/zinc/99/92/85/1101999285.db2.gz LAQJDWOUNZFHMN-UHFFFAOYSA-N -1 1 353.393 4.441 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1C ZINC000032595203 1102046063 /nfs/dbraw/zinc/04/60/63/1102046063.db2.gz CMRCCQHZJVAIHU-UHFFFAOYSA-N -1 1 372.446 4.213 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(C(F)(F)F)CCCCC1 ZINC000666314503 1102091664 /nfs/dbraw/zinc/09/16/64/1102091664.db2.gz SGVAQKJJJNLXEL-UHFFFAOYSA-N -1 1 353.344 4.234 20 0 FIADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000475829443 1102109461 /nfs/dbraw/zinc/10/94/61/1102109461.db2.gz FUSZGZTWFGCVDN-UHFFFAOYSA-N -1 1 373.808 4.320 20 0 FIADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000897786998 1102136296 /nfs/dbraw/zinc/13/62/96/1102136296.db2.gz ZECVERAZSOOBEG-BETUJISGSA-N -1 1 367.367 4.444 20 0 FIADMM CCc1nnc([N-]C(=O)c2csc(-c3ccc(Cl)s3)n2)s1 ZINC000057381733 1102146045 /nfs/dbraw/zinc/14/60/45/1102146045.db2.gz XVDHFFDYXDFHTF-UHFFFAOYSA-N -1 1 356.885 4.191 20 0 FIADMM CCc1noc(C)c1[N-]C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000121012305 1102307292 /nfs/dbraw/zinc/30/72/92/1102307292.db2.gz UYGTZJZDMZOFFW-UHFFFAOYSA-N -1 1 373.416 4.045 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 ZINC000550073039 1102376816 /nfs/dbraw/zinc/37/68/16/1102376816.db2.gz OIIARVRYHQMVRB-UHFFFAOYSA-N -1 1 373.459 4.096 20 0 FIADMM Cc1ocnc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000121533778 1102410257 /nfs/dbraw/zinc/41/02/57/1102410257.db2.gz VURKMZSNMVRDNR-UHFFFAOYSA-N -1 1 366.855 4.033 20 0 FIADMM CCc1nc(CNCc2ccc(-c3ccccc3F)s2)ccc1C(=O)[O-] ZINC000426659829 1102433902 /nfs/dbraw/zinc/43/39/02/1102433902.db2.gz JBMVXYUGZIEFOZ-UHFFFAOYSA-N -1 1 370.449 4.500 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(Cc2ccccc2)CC1 ZINC000060108326 1102486752 /nfs/dbraw/zinc/48/67/52/1102486752.db2.gz PPLXWUYXCQEDFO-UHFFFAOYSA-N -1 1 374.278 4.250 20 0 FIADMM Cc1nc(CNCc2ccc(-c3cccc(F)c3)s2)ccc1C(=O)[O-] ZINC000426660252 1102521658 /nfs/dbraw/zinc/52/16/58/1102521658.db2.gz MVJPVNPXFWTORQ-UHFFFAOYSA-N -1 1 356.422 4.246 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2cc(Cl)ccc2OCC2CC2)n1 ZINC000475879467 1102542230 /nfs/dbraw/zinc/54/22/30/1102542230.db2.gz FMYBQBRFXXDKCQ-UHFFFAOYSA-N -1 1 350.871 4.479 20 0 FIADMM CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2[O-])cc1OC ZINC000532621032 1102595567 /nfs/dbraw/zinc/59/55/67/1102595567.db2.gz HULCRJRIQXGQMO-UHFFFAOYSA-N -1 1 353.777 4.234 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000122725521 1102617514 /nfs/dbraw/zinc/61/75/14/1102617514.db2.gz RTIYNADIFOXKJB-UHFFFAOYSA-N -1 1 352.821 4.456 20 0 FIADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666088 1102697050 /nfs/dbraw/zinc/69/70/50/1102697050.db2.gz ZZSRWPDPTLYYMJ-UHFFFAOYSA-N -1 1 355.825 4.029 20 0 FIADMM CCOC(=O)C(=C([O-])CSc1cccc(Cl)c1)c1nc(C)cs1 ZINC000101801931 1102729919 /nfs/dbraw/zinc/72/99/19/1102729919.db2.gz UDKKQFGTIBDPOH-CQSZACIVSA-N -1 1 369.895 4.113 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3cc(C(C)(C)C)on3)n2)cc1 ZINC000440474402 1102856555 /nfs/dbraw/zinc/85/65/55/1102856555.db2.gz QTTHAXUAFCIQKX-UHFFFAOYSA-N -1 1 374.491 4.465 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426720735 1102939773 /nfs/dbraw/zinc/93/97/73/1102939773.db2.gz OTILTCJFDSRHKN-MLGOLLRUSA-N -1 1 358.488 4.423 20 0 FIADMM Cc1ccc([C@H](NCc2ccc(Br)cc2Cl)C(=O)[O-])cc1 ZINC000426708542 1102945272 /nfs/dbraw/zinc/94/52/72/1102945272.db2.gz KQPRIRWKZPQFTL-HNNXBMFYSA-N -1 1 368.658 4.326 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1 ZINC000426727751 1102962448 /nfs/dbraw/zinc/96/24/48/1102962448.db2.gz QEYOWEQMNLXKCZ-AWEZNQCLSA-N -1 1 361.722 4.413 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1Cl)c1ccc(F)cc1 ZINC000426765217 1102963576 /nfs/dbraw/zinc/96/35/76/1102963576.db2.gz KYOSVULJYHAMOB-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1Cl ZINC000614843628 1102968467 /nfs/dbraw/zinc/96/84/67/1102968467.db2.gz DUVJBTDIGZVVJZ-UHFFFAOYSA-N -1 1 369.870 4.184 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1sccc1Br)c1ccccc1 ZINC000426753133 1102968652 /nfs/dbraw/zinc/96/86/52/1102968652.db2.gz HCSDLDSGZLTXRS-QMTHXVAHSA-N -1 1 354.269 4.062 20 0 FIADMM Cc1cc(C)cc(C[C@@H](NCc2cc3cc(C)c(C)cc3o2)C(=O)[O-])c1 ZINC000426774871 1102979967 /nfs/dbraw/zinc/97/99/67/1102979967.db2.gz QGWROMFDOHKZAK-HXUWFJFHSA-N -1 1 351.446 4.452 20 0 FIADMM COc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c1OC ZINC000426808103 1102989567 /nfs/dbraw/zinc/98/95/67/1102989567.db2.gz KSDOQMCRQLNINM-SFHVURJKSA-N -1 1 357.450 4.133 20 0 FIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000426790058 1102991890 /nfs/dbraw/zinc/99/18/90/1102991890.db2.gz AAWUDKAWIIBDIE-GFCCVEGCSA-N -1 1 359.756 4.148 20 0 FIADMM CC(C)(C)c1ncc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426791577 1102993985 /nfs/dbraw/zinc/99/39/85/1102993985.db2.gz IVBSJGLLMGEJSY-AWEZNQCLSA-N -1 1 352.887 4.400 20 0 FIADMM CCc1ccc([C@@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])cc1 ZINC000426809983 1103004837 /nfs/dbraw/zinc/00/48/37/1103004837.db2.gz HHHHDCRLURKORZ-OAQYLSRUSA-N -1 1 364.420 4.366 20 0 FIADMM O=C([O-])C[C@@H](NCc1sccc1Br)c1cccc(Cl)c1 ZINC000426816492 1103011581 /nfs/dbraw/zinc/01/15/81/1103011581.db2.gz KXMXBIRKXLODHW-GFCCVEGCSA-N -1 1 374.687 4.470 20 0 FIADMM COc1cc(Cl)c(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000426820043 1103014042 /nfs/dbraw/zinc/01/40/42/1103014042.db2.gz XNSUVWXCORVDRV-OAHLLOKOSA-N -1 1 358.196 4.057 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000426820393 1103016134 /nfs/dbraw/zinc/01/61/34/1103016134.db2.gz YZZYGMYQQGQPHY-AWEZNQCLSA-N -1 1 372.621 4.157 20 0 FIADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2nc3c(s2)C[C@H](C)CC3)c1C ZINC000426823188 1103019244 /nfs/dbraw/zinc/01/92/44/1103019244.db2.gz IDMLONSNYWKAPG-SJKOYZFVSA-N -1 1 358.507 4.190 20 0 FIADMM CCSc1ccc(CN2CCCC[C@@H]2CC(=O)[O-])c(Br)c1 ZINC000629359831 1103020081 /nfs/dbraw/zinc/02/00/81/1103020081.db2.gz CVKMIHGDEKJOBK-CYBMUJFWSA-N -1 1 372.328 4.390 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccccc1Cl)c1cccc(Br)c1 ZINC000426827440 1103027159 /nfs/dbraw/zinc/02/71/59/1103027159.db2.gz RVVVGVMMPNQORO-OAHLLOKOSA-N -1 1 368.658 4.408 20 0 FIADMM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105431 1103105071 /nfs/dbraw/zinc/10/50/71/1103105071.db2.gz DQBKBELBZOGBQE-OWQGQXMQSA-N -1 1 357.454 4.095 20 0 FIADMM O=C([O-])c1ccoc1CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000519600928 1103322878 /nfs/dbraw/zinc/32/28/78/1103322878.db2.gz HGDNLGJYVFOEEK-LBPRGKRZSA-N -1 1 370.232 4.328 20 0 FIADMM CN(C(=O)c1ncccc1[O-])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000427261943 1103390407 /nfs/dbraw/zinc/39/04/07/1103390407.db2.gz CEQSCZINOBKXMS-LJQANCHMSA-N -1 1 370.811 4.441 20 0 FIADMM [O-]c1ccc(-c2noc(CSc3ccc(C(F)(F)F)cn3)n2)c(F)c1 ZINC000445458727 1103928058 /nfs/dbraw/zinc/92/80/58/1103928058.db2.gz VGHMGGXZXRYYPF-UHFFFAOYSA-N -1 1 371.315 4.287 20 0 FIADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000520280512 1104220006 /nfs/dbraw/zinc/22/00/06/1104220006.db2.gz DMLCOPKAZGRRFS-UHFFFAOYSA-N -1 1 366.442 4.453 20 0 FIADMM Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000520361114 1104300439 /nfs/dbraw/zinc/30/04/39/1104300439.db2.gz INKOEIFUJVQOIU-UHFFFAOYSA-N -1 1 353.443 4.375 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000520398708 1104323064 /nfs/dbraw/zinc/32/30/64/1104323064.db2.gz OUUUZTZXNISIST-LBPRGKRZSA-N -1 1 353.447 4.019 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1 ZINC000188478338 1104620155 /nfs/dbraw/zinc/62/01/55/1104620155.db2.gz CJXFPTUJIPRLOR-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(c2ccsc2)CC1 ZINC000188712182 1104751076 /nfs/dbraw/zinc/75/10/76/1104751076.db2.gz CNKZJFSXPINXLS-UHFFFAOYSA-N -1 1 355.381 4.492 20 0 FIADMM O=S(=O)([N-]c1ccsc1Cl)c1ccccc1OC(F)(F)F ZINC000189732854 1104841255 /nfs/dbraw/zinc/84/12/55/1104841255.db2.gz RKURVPQOASQGEQ-UHFFFAOYSA-N -1 1 357.762 4.101 20 0 FIADMM COc1cc(-c2nc(C(C)(C)c3ccc(C)cn3)no2)cc(Cl)c1[O-] ZINC000665080741 1104920885 /nfs/dbraw/zinc/92/08/85/1104920885.db2.gz AMVZOJBCMDWKBW-UHFFFAOYSA-N -1 1 359.813 4.134 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000427620223 1105115174 /nfs/dbraw/zinc/11/51/74/1105115174.db2.gz FTYDCYHRRAZLML-UHFFFAOYSA-N -1 1 374.510 4.111 20 0 FIADMM O=S(=O)([N-]c1cccc(COC2CCCCC2)c1)c1cccc(F)c1 ZINC000520699947 1105122721 /nfs/dbraw/zinc/12/27/21/1105122721.db2.gz MXTQXFUZBIIUBH-UHFFFAOYSA-N -1 1 363.454 4.476 20 0 FIADMM O=S(=O)([N-]c1ccc(Br)c(Cl)c1Cl)c1ccoc1 ZINC000508210715 1105352962 /nfs/dbraw/zinc/35/29/62/1105352962.db2.gz WGBVGESNILDAOV-UHFFFAOYSA-N -1 1 371.039 4.150 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1cc2sc(N3CCCC3)nc2s1 ZINC000530006825 1106746886 /nfs/dbraw/zinc/74/68/86/1106746886.db2.gz VPTQRUNKCSZENB-UHFFFAOYSA-N -1 1 363.439 4.055 20 0 FIADMM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1sccc1Cl ZINC000450982678 1106870484 /nfs/dbraw/zinc/87/04/84/1106870484.db2.gz UVPFTWBPXRXLSJ-UHFFFAOYSA-N -1 1 370.927 4.107 20 0 FIADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)cc(Br)c1 ZINC000530172801 1106902469 /nfs/dbraw/zinc/90/24/69/1106902469.db2.gz AOQDAKBOTNAYME-PEGIJTEDSA-N -1 1 360.679 4.176 20 0 FIADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1Br ZINC000530175428 1106905129 /nfs/dbraw/zinc/90/51/29/1106905129.db2.gz PHUACEOMLJGPPI-UWVGGRQHSA-N -1 1 360.679 4.176 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000392142029 1106951652 /nfs/dbraw/zinc/95/16/52/1106951652.db2.gz BTGMSRLQPXNTNF-UHFFFAOYSA-N -1 1 361.463 4.176 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H](C)Cc3ccccc3F)nc2)[n-]c(=O)c1C ZINC000301383724 1107011781 /nfs/dbraw/zinc/01/17/81/1107011781.db2.gz VVQKMIPMAMYYQG-LBPRGKRZSA-N -1 1 352.413 4.043 20 0 FIADMM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCO1 ZINC000451371787 1107065755 /nfs/dbraw/zinc/06/57/55/1107065755.db2.gz FIGASZURBVMPIF-AAEUAGOBSA-N -1 1 373.927 4.037 20 0 FIADMM Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)s1 ZINC000444379765 1107511642 /nfs/dbraw/zinc/51/16/42/1107511642.db2.gz MOTSADNEJHPWKD-UHFFFAOYSA-N -1 1 358.463 4.077 20 0 FIADMM COc1ccc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c([O-])c1 ZINC000320889851 1107591415 /nfs/dbraw/zinc/59/14/15/1107591415.db2.gz ULLURYQLYJDMAV-UHFFFAOYSA-N -1 1 351.189 4.348 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2(C)CCCCC2)cc1 ZINC000303302865 1107637223 /nfs/dbraw/zinc/63/72/23/1107637223.db2.gz ZEOZDZKYMJWIIH-UHFFFAOYSA-N -1 1 358.511 4.145 20 0 FIADMM Cc1c(O)ccc2c(C[N@@H+]3CCSC[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000303641322 1107727755 /nfs/dbraw/zinc/72/77/55/1107727755.db2.gz HQRCSHOXUBVZFG-GOSISDBHSA-N -1 1 367.470 4.097 20 0 FIADMM CCNc1cnc(-c2nc3sc(C)c(C[C@H](C)CC)c3c(=O)[n-]2)cn1 ZINC000487497674 1107764992 /nfs/dbraw/zinc/76/49/92/1107764992.db2.gz BXNKOMAKCZMXNK-SNVBAGLBSA-N -1 1 357.483 4.183 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2)co1 ZINC000614781881 1107776186 /nfs/dbraw/zinc/77/61/86/1107776186.db2.gz FBNYWERMJDBACF-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000531481693 1107920858 /nfs/dbraw/zinc/92/08/58/1107920858.db2.gz HZLWYURXFJYDDB-KGUUONHRSA-N -1 1 373.456 4.021 20 0 FIADMM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1cc2ccccc2o1 ZINC000531486689 1107936539 /nfs/dbraw/zinc/93/65/39/1107936539.db2.gz OEYRLRWDOPUPMB-UHFFFAOYSA-N -1 1 370.455 4.035 20 0 FIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1 ZINC000523288387 1108063333 /nfs/dbraw/zinc/06/33/33/1108063333.db2.gz PCOMGWPPKXTDIM-UHFFFAOYSA-N -1 1 366.414 4.198 20 0 FIADMM C[C@@H](NC(=O)Cc1noc(-c2ccc3ccccc3c2[O-])n1)c1ccccc1 ZINC000445291375 1108621325 /nfs/dbraw/zinc/62/13/25/1108621325.db2.gz FOBXPXZOYTYVJA-CQSZACIVSA-N -1 1 373.412 4.015 20 0 FIADMM COc1cc(-c2noc(-c3oc(C)cc3C)n2)cc(Br)c1[O-] ZINC000445391499 1108708324 /nfs/dbraw/zinc/70/83/24/1108708324.db2.gz KJMNKIKTPWEBKE-UHFFFAOYSA-N -1 1 365.183 4.090 20 0 FIADMM COc1cc(-c2noc(-c3ccccc3F)n2)cc(Br)c1[O-] ZINC000445391065 1108708790 /nfs/dbraw/zinc/70/87/90/1108708790.db2.gz JPPOCGYJBJTVBZ-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CCC(C)(C)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445396565 1108724639 /nfs/dbraw/zinc/72/46/39/1108724639.db2.gz XNYNTGBSLDKJFH-UHFFFAOYSA-N -1 1 355.232 4.192 20 0 FIADMM CCOc1ncc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1Cl ZINC000445449338 1108750174 /nfs/dbraw/zinc/75/01/74/1108750174.db2.gz OBELQHWCCJDBIA-UHFFFAOYSA-N -1 1 352.177 4.210 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(Oc4cnccn4)c3)n2)c(Cl)c1 ZINC000445450913 1108754367 /nfs/dbraw/zinc/75/43/67/1108754367.db2.gz YGLUBWZRPVVEMP-UHFFFAOYSA-N -1 1 366.764 4.345 20 0 FIADMM Cc1ccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)co2)cc1 ZINC000524032565 1108762558 /nfs/dbraw/zinc/76/25/58/1108762558.db2.gz WRSLPMXIKLUDKY-UHFFFAOYSA-N -1 1 367.352 4.457 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4ccccn4)n3)n2)c(Cl)c1 ZINC000445445577 1108771643 /nfs/dbraw/zinc/77/16/43/1108771643.db2.gz ACPIBCAEKKZHMR-UHFFFAOYSA-N -1 1 370.821 4.205 20 0 FIADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445446753 1108772823 /nfs/dbraw/zinc/77/28/23/1108772823.db2.gz FRPPKQOCSIUETC-BONVTDFDSA-N -1 1 369.808 4.357 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1F ZINC000445467581 1108779141 /nfs/dbraw/zinc/77/91/41/1108779141.db2.gz ATNVHKHNVRHPKI-UHFFFAOYSA-N -1 1 354.259 4.071 20 0 FIADMM CC(C)Cn1ncc(-c2nc(-c3ccc([O-])cc3F)no2)c1C(F)F ZINC000445453563 1108786417 /nfs/dbraw/zinc/78/64/17/1108786417.db2.gz BQNVJWDZSKETJC-UHFFFAOYSA-N -1 1 352.316 4.038 20 0 FIADMM CC[C@@H](C)n1ncc2c1nc(C)cc2-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454053 1108789097 /nfs/dbraw/zinc/78/90/97/1108789097.db2.gz DWZPEOVYRYLBSF-LLVKDONJSA-N -1 1 367.384 4.272 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(-c4noc(C5CC5)n4)c3)n2)c(F)c1 ZINC000445458526 1108792657 /nfs/dbraw/zinc/79/26/57/1108792657.db2.gz YSTBZUADPMVXBC-UHFFFAOYSA-N -1 1 364.336 4.176 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OCc4cccnc4)c3)n2)c(F)c1 ZINC000445461122 1108795220 /nfs/dbraw/zinc/79/52/20/1108795220.db2.gz VLXSKVINLXNSET-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(-c4nc(C5CC5)no4)cc3)n2)cc1F ZINC000445479932 1108799066 /nfs/dbraw/zinc/79/90/66/1108799066.db2.gz XBAYKNZQGZMEJB-UHFFFAOYSA-N -1 1 364.336 4.176 20 0 FIADMM CCOc1ccccc1C(F)(F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480876 1108799230 /nfs/dbraw/zinc/79/92/30/1108799230.db2.gz LLDSFGRYOAICCG-UHFFFAOYSA-N -1 1 350.296 4.120 20 0 FIADMM CCSCc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000610194016 1108825767 /nfs/dbraw/zinc/82/57/67/1108825767.db2.gz KKYZTAMODBHMDP-UHFFFAOYSA-N -1 1 361.410 4.158 20 0 FIADMM C[C@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000525064042 1109246872 /nfs/dbraw/zinc/24/68/72/1109246872.db2.gz HKLUCZFUZIRYQK-JKSUJKDBSA-N -1 1 372.490 4.252 20 0 FIADMM CC[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)C ZINC000525069435 1109248666 /nfs/dbraw/zinc/24/86/66/1109248666.db2.gz WLQZMNWOXBGVQA-MRXNPFEDSA-N -1 1 374.506 4.498 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@](C)(c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000446852506 1109360067 /nfs/dbraw/zinc/36/00/67/1109360067.db2.gz OGTKAFZXBKAFBK-JOCHJYFZSA-N -1 1 360.461 4.029 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447776841 1109641364 /nfs/dbraw/zinc/64/13/64/1109641364.db2.gz KAYXCJCBACMKOH-UHFFFAOYSA-N -1 1 372.343 4.435 20 0 FIADMM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000447789794 1109645444 /nfs/dbraw/zinc/64/54/44/1109645444.db2.gz WJPYWYZVYRODCQ-UHFFFAOYSA-N -1 1 370.474 4.017 20 0 FIADMM C[C@@]1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC=CCC1 ZINC000448704829 1109868310 /nfs/dbraw/zinc/86/83/10/1109868310.db2.gz PIWVWFUWOQSSTJ-HXUWFJFHSA-N -1 1 370.474 4.172 20 0 FIADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000759709450 1109896922 /nfs/dbraw/zinc/89/69/22/1109896922.db2.gz UGAFDDUIYKNJDZ-UHFFFAOYSA-N -1 1 356.831 4.198 20 0 FIADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1(C)C ZINC000760134663 1109998892 /nfs/dbraw/zinc/99/88/92/1109998892.db2.gz SFPHENGLRCDMDR-ZDUSSCGKSA-N -1 1 362.470 4.247 20 0 FIADMM O=c1cc(CN[C@H](c2ccccn2)C2CCC2)c2cc(Cl)c([O-])cc2o1 ZINC000528656784 1110065218 /nfs/dbraw/zinc/06/52/18/1110065218.db2.gz HWEMPWISVSJQGY-FQEVSTJZSA-N -1 1 370.836 4.178 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1CCN(CC(F)F)CC1 ZINC000529540328 1110284797 /nfs/dbraw/zinc/28/47/97/1110284797.db2.gz YKWJRQRACYCZAR-UHFFFAOYSA-N -1 1 368.811 4.114 20 0 FIADMM O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1c(F)ccc([O-])c1F ZINC000538334548 1111098208 /nfs/dbraw/zinc/09/82/08/1111098208.db2.gz YJBLLXQSXCFWSU-UHFFFAOYSA-N -1 1 351.324 4.383 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3oc(C4CC4)nc3C)n2)cc1 ZINC000546775874 1111158955 /nfs/dbraw/zinc/15/89/55/1111158955.db2.gz MPWUPGXBYXEIDO-UHFFFAOYSA-N -1 1 372.475 4.353 20 0 FIADMM Cn1cc(Cl)cc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552022707 1111230073 /nfs/dbraw/zinc/23/00/73/1111230073.db2.gz JXEMZBXDQKAIDU-UHFFFAOYSA-N -1 1 364.026 4.052 20 0 FIADMM O=S(=O)([N-]Cc1cc(Cl)sc1Cl)c1cc2ccccc2o1 ZINC000538850722 1111318048 /nfs/dbraw/zinc/31/80/48/1111318048.db2.gz VVMBCGWNCJOKDN-UHFFFAOYSA-N -1 1 362.259 4.280 20 0 FIADMM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000461787249 1111356105 /nfs/dbraw/zinc/35/61/05/1111356105.db2.gz UCFBJZBQPYRPMF-UHFFFAOYSA-N -1 1 370.381 4.241 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccnc1OCc1ccccc1F ZINC000478339747 1111754429 /nfs/dbraw/zinc/75/44/29/1111754429.db2.gz IWNWWDOWAWIVDI-UHFFFAOYSA-N -1 1 372.783 4.411 20 0 FIADMM Cc1c(Br)cccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000478348609 1111756334 /nfs/dbraw/zinc/75/63/34/1111756334.db2.gz VHTYHTKWIMJWEJ-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1 ZINC000553095242 1111905136 /nfs/dbraw/zinc/90/51/36/1111905136.db2.gz LVLUTOQCHQUDBQ-UHFFFAOYSA-N -1 1 355.463 4.011 20 0 FIADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000479130182 1111950997 /nfs/dbraw/zinc/95/09/97/1111950997.db2.gz QJXDTSYHKDIJGH-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1Cl ZINC000479139668 1111955052 /nfs/dbraw/zinc/95/50/52/1111955052.db2.gz TWXVEVFHZKAPSP-LBPRGKRZSA-N -1 1 373.849 4.071 20 0 FIADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479506596 1112050070 /nfs/dbraw/zinc/05/00/70/1112050070.db2.gz XMBMCEBPAWENBA-UHFFFAOYSA-N -1 1 372.393 4.424 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C ZINC000479507774 1112050734 /nfs/dbraw/zinc/05/07/34/1112050734.db2.gz CTVHGAWQARIVEF-UHFFFAOYSA-N -1 1 350.490 4.127 20 0 FIADMM COC(=O)c1c[n-]c(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)n1 ZINC000554397030 1112331718 /nfs/dbraw/zinc/33/17/18/1112331718.db2.gz BGMMDHUMVXYEOI-HNNXBMFYSA-N -1 1 366.870 4.110 20 0 FIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480208289 1112332238 /nfs/dbraw/zinc/33/22/38/1112332238.db2.gz HXSQYFYXDKBRAH-UHFFFAOYSA-N -1 1 373.396 4.381 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480210034 1112333442 /nfs/dbraw/zinc/33/34/42/1112333442.db2.gz QEAKRHQVWXZDHQ-UHFFFAOYSA-N -1 1 367.751 4.385 20 0 FIADMM O=C(NCc1csc2ccccc12)c1ccc(Br)c([O-])c1 ZINC000480502274 1112456214 /nfs/dbraw/zinc/45/62/14/1112456214.db2.gz XOJFFELIXHHKNS-UHFFFAOYSA-N -1 1 362.248 4.299 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000555121328 1112674486 /nfs/dbraw/zinc/67/44/86/1112674486.db2.gz ABAAFLYXPNVZOQ-UHFFFAOYSA-N -1 1 364.854 4.077 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000555490320 1112891384 /nfs/dbraw/zinc/89/13/84/1112891384.db2.gz BZRWKKKMODOSTQ-CYBMUJFWSA-N -1 1 371.481 4.066 20 0 FIADMM CCn1c(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nc2ccccc21 ZINC000555614837 1112942701 /nfs/dbraw/zinc/94/27/01/1112942701.db2.gz XDEFNJNUQXAWEJ-IBGZPJMESA-N -1 1 365.477 4.485 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000668045886 1113253119 /nfs/dbraw/zinc/25/31/19/1113253119.db2.gz FGKOQHCJOQBWGU-GFCCVEGCSA-N -1 1 353.466 4.157 20 0 FIADMM COc1cc(Cl)ccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482547047 1113293879 /nfs/dbraw/zinc/29/38/79/1113293879.db2.gz CCLVKLKHNQXYOV-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000482735496 1113345505 /nfs/dbraw/zinc/34/55/05/1113345505.db2.gz LPVJUBFENMUHRG-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2)cc1Br ZINC000486133203 1113508734 /nfs/dbraw/zinc/50/87/34/1113508734.db2.gz XXLZCPGMHVGAST-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CC(C)(C)NC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000486171525 1113520096 /nfs/dbraw/zinc/52/00/96/1113520096.db2.gz FENHBDNXYKMPPZ-UHFFFAOYSA-N -1 1 361.829 4.218 20 0 FIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000166782203 1113618707 /nfs/dbraw/zinc/61/87/07/1113618707.db2.gz MKNSYNBQWLJUGM-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1Cl ZINC000486702215 1113625880 /nfs/dbraw/zinc/62/58/80/1113625880.db2.gz MYZILQRCHZKNAF-VIFPVBQESA-N -1 1 358.237 4.158 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000908708551 1113687521 /nfs/dbraw/zinc/68/75/21/1113687521.db2.gz YDYSBIHREQIQGH-YUMQZZPRSA-N -1 1 352.150 4.072 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cnc(-c4ccsc4)s3)[nH][n-]2)s1 ZINC000489380892 1114098770 /nfs/dbraw/zinc/09/87/70/1114098770.db2.gz SLOWMCMDEQMCMX-UHFFFAOYSA-N -1 1 372.500 4.306 20 0 FIADMM O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc(Br)c([O-])c1 ZINC000489571280 1114138844 /nfs/dbraw/zinc/13/88/44/1114138844.db2.gz YTKVFCOEXCHQLT-UHFFFAOYSA-N -1 1 366.642 4.227 20 0 FIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1C ZINC000489745893 1114167473 /nfs/dbraw/zinc/16/74/73/1114167473.db2.gz VZHCSFQAANGULA-UHFFFAOYSA-N -1 1 373.478 4.043 20 0 FIADMM CCNC(=O)Nc1ccc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000490353107 1114278146 /nfs/dbraw/zinc/27/81/46/1114278146.db2.gz KLVJDMYWSRSGMB-UHFFFAOYSA-N -1 1 362.817 4.139 20 0 FIADMM Cc1nc(S(=O)(=O)Cc2cc3ccccc3o2)[nH]c1-c1ccccc1 ZINC000490420288 1114286115 /nfs/dbraw/zinc/28/61/15/1114286115.db2.gz RZPSXUGOBVUBRU-UHFFFAOYSA-N -1 1 352.415 4.105 20 0 FIADMM CSc1cc(C)ccc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000490404388 1114288346 /nfs/dbraw/zinc/28/83/46/1114288346.db2.gz YWYYZLBRKIXDPD-UHFFFAOYSA-N -1 1 366.280 4.115 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2CCC[C@@H](C)C2)cc1 ZINC000055485215 1114476017 /nfs/dbraw/zinc/47/60/17/1114476017.db2.gz MGPOUXIUUTZCNG-CVEARBPZSA-N -1 1 372.538 4.249 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1OCC(F)F ZINC000588631356 1114583385 /nfs/dbraw/zinc/58/33/85/1114583385.db2.gz BYRIXRYQSDERDQ-UHFFFAOYSA-N -1 1 361.797 4.093 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1 ZINC000588834051 1114655327 /nfs/dbraw/zinc/65/53/27/1114655327.db2.gz KGTQWVPTCOXMAK-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)ccc1C ZINC000572929700 1114941437 /nfs/dbraw/zinc/94/14/37/1114941437.db2.gz WLYGREIQTMOLNY-UHFFFAOYSA-N -1 1 358.463 4.022 20 0 FIADMM O=c1nc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)[n-]c2ccsc21 ZINC000590925794 1114992904 /nfs/dbraw/zinc/99/29/04/1114992904.db2.gz MGKCWQHGYJDZQA-CQSZACIVSA-N -1 1 364.474 4.258 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCCCCC2)cc1 ZINC000057809571 1115009042 /nfs/dbraw/zinc/00/90/42/1115009042.db2.gz SSQKSFSDQYCIMA-UHFFFAOYSA-N -1 1 358.511 4.099 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000573655349 1115162256 /nfs/dbraw/zinc/16/22/56/1115162256.db2.gz BYRBANGPFLEZAI-UHFFFAOYSA-N -1 1 365.286 4.193 20 0 FIADMM O=C([O-])c1ccc(CN2CCC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC000573807721 1115183703 /nfs/dbraw/zinc/18/37/03/1115183703.db2.gz AGBFNYHPIKIBEH-GFCCVEGCSA-N -1 1 351.855 4.143 20 0 FIADMM Cc1cc(F)c2c(c1)CCCN2Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058539143 1115255409 /nfs/dbraw/zinc/25/54/09/1115255409.db2.gz UURRPDYNPCMMIY-UHFFFAOYSA-N -1 1 374.510 4.451 20 0 FIADMM O=C(CC1CCCC1)Nc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000592887809 1115267697 /nfs/dbraw/zinc/26/76/97/1115267697.db2.gz INFUCQIDONIXQX-UHFFFAOYSA-N -1 1 365.408 4.248 20 0 FIADMM COc1ccccc1-c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000058635898 1115276947 /nfs/dbraw/zinc/27/69/47/1115276947.db2.gz RMQIDZLXPAZQCW-UHFFFAOYSA-N -1 1 373.365 4.118 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(Cl)ccc1OCC1CC1)c1cccs1 ZINC000669472623 1115292480 /nfs/dbraw/zinc/29/24/80/1115292480.db2.gz FPWJPNSWVUCKGS-HNNXBMFYSA-N -1 1 365.882 4.496 20 0 FIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC1CCCCCC1)CC2 ZINC000575065256 1115532441 /nfs/dbraw/zinc/53/24/41/1115532441.db2.gz CDWQZAKFCJUSOJ-SFHVURJKSA-N -1 1 361.482 4.048 20 0 FIADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000761257574 1115706324 /nfs/dbraw/zinc/70/63/24/1115706324.db2.gz UMRGAMQELBFAOF-UHFFFAOYSA-N -1 1 370.298 4.152 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)c2ccccc12 ZINC000598379592 1115723781 /nfs/dbraw/zinc/72/37/81/1115723781.db2.gz UUYABRJDYYBDNP-UHFFFAOYSA-N -1 1 370.474 4.105 20 0 FIADMM CC1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2)CC1 ZINC000061035494 1115756428 /nfs/dbraw/zinc/75/64/28/1115756428.db2.gz IIWIWPUVTOKSFW-UHFFFAOYSA-N -1 1 366.433 4.002 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000605492485 1115903908 /nfs/dbraw/zinc/90/39/08/1115903908.db2.gz KRTMQLJRWNYHDN-JTQLQIEISA-N -1 1 369.895 4.186 20 0 FIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)cc(Cl)c2O1 ZINC000605494753 1115904366 /nfs/dbraw/zinc/90/43/66/1115904366.db2.gz AVUHZICQNDDQCQ-SECBINFHSA-N -1 1 373.808 4.402 20 0 FIADMM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1ccc(Cl)s1 ZINC000615223897 1115922026 /nfs/dbraw/zinc/92/20/26/1115922026.db2.gz BPQUXNMMXOTLOY-UHFFFAOYSA-N -1 1 373.780 4.038 20 0 FIADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000606317209 1115934034 /nfs/dbraw/zinc/93/40/34/1115934034.db2.gz JPWXNWMQSNKJKG-JTQLQIEISA-N -1 1 364.214 4.053 20 0 FIADMM O=S(=O)([N-]c1c(O)cccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000608004450 1116077792 /nfs/dbraw/zinc/07/77/92/1116077792.db2.gz JIMOMRULBGLMLM-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608366368 1116102572 /nfs/dbraw/zinc/10/25/72/1116102572.db2.gz SXRSKYLLWHOOBK-UHFFFAOYSA-N -1 1 364.804 4.422 20 0 FIADMM O=C(CCCOc1cccc(Br)c1)Nc1c([O-])cccc1F ZINC000608366039 1116102667 /nfs/dbraw/zinc/10/26/67/1116102667.db2.gz ZRKBKRBYTTVEMS-UHFFFAOYSA-N -1 1 368.202 4.092 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1cc(F)cc(Cl)c1 ZINC000534400429 1116195746 /nfs/dbraw/zinc/19/57/46/1116195746.db2.gz ARLVWOUNRATWHW-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456581061 1116205048 /nfs/dbraw/zinc/20/50/48/1116205048.db2.gz YOWNKWGBXXPYKR-OAHLLOKOSA-N -1 1 362.223 4.115 20 0 FIADMM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456797048 1116217200 /nfs/dbraw/zinc/21/72/00/1116217200.db2.gz YQKYXJLIJWVTRH-UHFFFAOYSA-N -1 1 368.405 4.277 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)s1 ZINC000534614423 1116218259 /nfs/dbraw/zinc/21/82/59/1116218259.db2.gz WDWSJVSFKGKLDV-UHFFFAOYSA-N -1 1 373.883 4.229 20 0 FIADMM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000534710484 1116228034 /nfs/dbraw/zinc/22/80/34/1116228034.db2.gz XLEGPFLYHQUZHT-UHFFFAOYSA-N -1 1 350.415 4.138 20 0 FIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3c(F)cccc3NC(C)C)c2n1 ZINC000535025432 1116262633 /nfs/dbraw/zinc/26/26/33/1116262633.db2.gz PHGUQZGEFJGGNE-UHFFFAOYSA-N -1 1 373.453 4.303 20 0 FIADMM COc1cc(C(=O)N2Cc3sccc3CC2(C)C)cc(Cl)c1[O-] ZINC000457331311 1116267905 /nfs/dbraw/zinc/26/79/05/1116267905.db2.gz QGRYKHRMZPSFBO-UHFFFAOYSA-N -1 1 351.855 4.093 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000535104222 1116270344 /nfs/dbraw/zinc/27/03/44/1116270344.db2.gz AUMJLKXTGARVMN-UHFFFAOYSA-N -1 1 358.397 4.174 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)c1cccc2c1OCO2 ZINC000669820774 1116328363 /nfs/dbraw/zinc/32/83/63/1116328363.db2.gz XVHBLZHXJPMFLF-UHFFFAOYSA-N -1 1 371.389 4.022 20 0 FIADMM COc1ccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000462391086 1116343768 /nfs/dbraw/zinc/34/37/68/1116343768.db2.gz QTEXTKIVQZYPLO-CQSZACIVSA-N -1 1 350.422 4.043 20 0 FIADMM Cc1ccc(-c2noc([C@@H](C)Sc3nc(C)c(C)c(=O)[n-]3)n2)cc1F ZINC000539615047 1116353086 /nfs/dbraw/zinc/35/30/86/1116353086.db2.gz BBJZDLDDPHCQHH-LLVKDONJSA-N -1 1 360.414 4.150 20 0 FIADMM COc1cccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000462788923 1117772121 /nfs/dbraw/zinc/77/21/21/1117772121.db2.gz HRJNEFXRJZMJPQ-CQSZACIVSA-N -1 1 350.422 4.043 20 0 FIADMM CC(C)C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000462913037 1117857138 /nfs/dbraw/zinc/85/71/38/1117857138.db2.gz YKZCKEDNLBSZCN-HNNXBMFYSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000463291425 1118085982 /nfs/dbraw/zinc/08/59/82/1118085982.db2.gz ZRBCTIBXTWVZGU-UHFFFAOYSA-N -1 1 366.402 4.322 20 0 FIADMM O=C(Nc1ncc(Cc2ccccc2F)s1)c1c(F)ccc([O-])c1F ZINC000540514395 1118101709 /nfs/dbraw/zinc/10/17/09/1118101709.db2.gz MPLMSYTZVPJXAV-UHFFFAOYSA-N -1 1 364.348 4.109 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1Cl ZINC000463519663 1118201911 /nfs/dbraw/zinc/20/19/11/1118201911.db2.gz VGJIJIDNBQTFTN-UHFFFAOYSA-N -1 1 368.867 4.312 20 0 FIADMM Cc1nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)[n-]c(=O)c1C ZINC000540713141 1118210054 /nfs/dbraw/zinc/21/00/54/1118210054.db2.gz MKTJTTZMRWWXJC-UHFFFAOYSA-N -1 1 365.458 4.344 20 0 FIADMM CC(C)c1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccccn1 ZINC000540959079 1118325415 /nfs/dbraw/zinc/32/54/15/1118325415.db2.gz BXZZMLPXBSHACS-UHFFFAOYSA-N -1 1 356.813 4.002 20 0 FIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1c(F)cccc1F ZINC000464324931 1118520055 /nfs/dbraw/zinc/52/00/55/1118520055.db2.gz AFBKFBDZBIXMFH-UHFFFAOYSA-N -1 1 365.792 4.313 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1c(Cl)cccc1Br ZINC000302456939 1118626966 /nfs/dbraw/zinc/62/69/66/1118626966.db2.gz PEXRKWGLRBXMGF-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000030015123 1118968857 /nfs/dbraw/zinc/96/88/57/1118968857.db2.gz NFVYBFSJOHRWQU-GDBMZVCRSA-N -1 1 358.511 4.001 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000491979417 1119000760 /nfs/dbraw/zinc/00/07/60/1119000760.db2.gz OXIDQRSHGXHZOX-CVEARBPZSA-N -1 1 353.809 4.178 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc2ccccc2c1 ZINC000521029976 1119529784 /nfs/dbraw/zinc/52/97/84/1119529784.db2.gz CKLRPYZWOVOKIZ-UHFFFAOYSA-N -1 1 352.459 4.241 20 0 FIADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541662 1119576822 /nfs/dbraw/zinc/57/68/22/1119576822.db2.gz KRIIYVJDBJIUKP-GDBMZVCRSA-N -1 1 374.506 4.417 20 0 FIADMM CCc1onc(C)c1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186102483 1119706068 /nfs/dbraw/zinc/70/60/68/1119706068.db2.gz LJRQNDUUUCYAGB-UHFFFAOYSA-N -1 1 366.805 4.109 20 0 FIADMM O=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1ccc([O-])cc1 ZINC000187416633 1119783112 /nfs/dbraw/zinc/78/31/12/1119783112.db2.gz BHZSPKPLAOKFQM-UHFFFAOYSA-N -1 1 365.863 4.143 20 0 FIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000188940844 1119807717 /nfs/dbraw/zinc/80/77/17/1119807717.db2.gz PQJMZXPDKFJLFB-UHFFFAOYSA-N -1 1 369.446 4.193 20 0 FIADMM CSc1cc(O)ccc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000191563895 1119984597 /nfs/dbraw/zinc/98/45/97/1119984597.db2.gz QWHGJBCCVWQTSL-UHFFFAOYSA-N -1 1 374.393 4.073 20 0 FIADMM O=C(Nc1nnc(-c2ccsc2)s1)Nc1ccc([O-])c(Cl)c1 ZINC000192207169 1120040814 /nfs/dbraw/zinc/04/08/14/1120040814.db2.gz IXHQZZPVCCMDEA-UHFFFAOYSA-N -1 1 352.828 4.270 20 0 FIADMM COC(=O)c1cc([N-]C(=O)c2nc(-c3ccccc3)cs2)c(F)cc1F ZINC000192540332 1120066772 /nfs/dbraw/zinc/06/67/72/1120066772.db2.gz WXHMQUXWNASIEF-UHFFFAOYSA-N -1 1 374.368 4.127 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000153338919 1120515797 /nfs/dbraw/zinc/51/57/97/1120515797.db2.gz LXIMCHLRMQAGQS-LPHOPBHVSA-N -1 1 367.470 4.335 20 0 FIADMM FC(F)(F)[C@@H]([N-]c1nc(Cl)nc(C2CCCC2)n1)c1ccccn1 ZINC001168482769 1120565916 /nfs/dbraw/zinc/56/59/16/1120565916.db2.gz ZHQWTDLSESIMMO-NSHDSACASA-N -1 1 357.767 4.293 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000007109322 1120917124 /nfs/dbraw/zinc/91/71/24/1120917124.db2.gz XWTWXKJMHLVZPQ-UHFFFAOYSA-N -1 1 357.431 4.048 20 0 FIADMM C[C@H]1CCC[C@H](C)N(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000176613401 1120929504 /nfs/dbraw/zinc/92/95/04/1120929504.db2.gz GXHZEOQNFQWBSL-STQMWFEESA-N -1 1 364.540 4.096 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(F)=C1CCCC1 ZINC000763025561 1121093290 /nfs/dbraw/zinc/09/32/90/1121093290.db2.gz PYUUVEZOTGZRSQ-UHFFFAOYSA-N -1 1 374.437 4.224 20 0 FIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2o1 ZINC000032097635 1121099781 /nfs/dbraw/zinc/09/97/81/1121099781.db2.gz GONYMPPXDGYDNM-UHFFFAOYSA-N -1 1 352.362 4.030 20 0 FIADMM Cc1ccccc1-c1csc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1 ZINC000763073652 1121106824 /nfs/dbraw/zinc/10/68/24/1121106824.db2.gz QCOJDXBULGKVRU-UHFFFAOYSA-N -1 1 368.462 4.298 20 0 FIADMM Cc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611614 1121285294 /nfs/dbraw/zinc/28/52/94/1121285294.db2.gz RLWVORDZRVACIM-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1 ZINC000057119696 1121354246 /nfs/dbraw/zinc/35/42/46/1121354246.db2.gz IJDUHOSSLCGSLQ-UHFFFAOYSA-N -1 1 356.447 4.322 20 0 FIADMM Cc1ccc(NC(=O)C2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060411919 1121472962 /nfs/dbraw/zinc/47/29/62/1121472962.db2.gz BBJIHGTXZJVMIC-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)c2)no1 ZINC000063849883 1121590808 /nfs/dbraw/zinc/59/08/08/1121590808.db2.gz YMQCVUNGJWWXAV-UHFFFAOYSA-N -1 1 371.462 4.044 20 0 FIADMM CCCC[C@H](CC)C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424115 1121826684 /nfs/dbraw/zinc/82/66/84/1121826684.db2.gz AIKGNGCFBYAVQN-ZDUSSCGKSA-N -1 1 350.532 4.198 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)cc1 ZINC000497213258 1121907430 /nfs/dbraw/zinc/90/74/30/1121907430.db2.gz FYJQKKIHBPFKJC-CYBMUJFWSA-N -1 1 370.478 4.094 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000107067363 1122253731 /nfs/dbraw/zinc/25/37/31/1122253731.db2.gz VWLTVWZSRJRLMN-MRXNPFEDSA-N -1 1 370.474 4.091 20 0 FIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1cccc(Cl)c1 ZINC000055632288 1122258954 /nfs/dbraw/zinc/25/89/54/1122258954.db2.gz JJBXXWKYYJSOKY-UHFFFAOYSA-N -1 1 374.849 4.115 20 0 FIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1C ZINC000055674172 1122261037 /nfs/dbraw/zinc/26/10/37/1122261037.db2.gz FNKPYORXUPHIKA-UHFFFAOYSA-N -1 1 366.870 4.024 20 0 FIADMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000917746129 1122425712 /nfs/dbraw/zinc/42/57/12/1122425712.db2.gz BRUQHGDKZPASSU-UHFFFAOYSA-N -1 1 356.850 4.125 20 0 FIADMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1F ZINC000917746774 1122425770 /nfs/dbraw/zinc/42/57/70/1122425770.db2.gz NEDXMXLGZYACOO-UHFFFAOYSA-N -1 1 373.453 4.019 20 0 FIADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc2ccccc2c1[O-] ZINC000917766623 1122431062 /nfs/dbraw/zinc/43/10/62/1122431062.db2.gz RHPVZAOKRLEASF-UHFFFAOYSA-N -1 1 357.413 4.003 20 0 FIADMM Cc1nc(C(C)C)oc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000498221818 1122637608 /nfs/dbraw/zinc/63/76/08/1122637608.db2.gz LSOMONWXSOEJMU-UHFFFAOYSA-N -1 1 353.216 4.135 20 0 FIADMM Cc1cc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)cnc1Br ZINC000918462852 1122653532 /nfs/dbraw/zinc/65/35/32/1122653532.db2.gz JKJSORDXAWAGOB-UHFFFAOYSA-N -1 1 366.284 4.126 20 0 FIADMM C/C(=C/C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C1CC1 ZINC000918567884 1122704674 /nfs/dbraw/zinc/70/46/74/1122704674.db2.gz HNOAMEIXLZZGTO-QINSGFPZSA-N -1 1 370.474 4.091 20 0 FIADMM Cc1c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c2ccccc2n1C ZINC000556347944 1122827321 /nfs/dbraw/zinc/82/73/21/1122827321.db2.gz ULMUZHNAQRAUNK-UHFFFAOYSA-N -1 1 352.818 4.080 20 0 FIADMM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc2ccccc2c1[O-] ZINC000556696954 1123045225 /nfs/dbraw/zinc/04/52/25/1123045225.db2.gz WRFVESBLVBXYAB-RHSMWYFYSA-N -1 1 353.443 4.257 20 0 FIADMM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(C(F)(F)F)cc1Cl ZINC000131523311 1123104437 /nfs/dbraw/zinc/10/44/37/1123104437.db2.gz LKRBUXBQWKPDCA-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000919769923 1123129797 /nfs/dbraw/zinc/12/97/97/1123129797.db2.gz IPUOFRIQYGDDNC-UHFFFAOYSA-N -1 1 356.422 4.361 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000131929426 1123201588 /nfs/dbraw/zinc/20/15/88/1123201588.db2.gz HLOACFNCKNWQFT-UHFFFAOYSA-N -1 1 371.380 4.185 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000132780713 1123359878 /nfs/dbraw/zinc/35/98/78/1123359878.db2.gz VNGVKJZZERMURL-UHFFFAOYSA-N -1 1 371.380 4.185 20 0 FIADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000920438839 1123461965 /nfs/dbraw/zinc/46/19/65/1123461965.db2.gz RZHUDNOJJZWHSQ-UHFFFAOYSA-N -1 1 359.731 4.216 20 0 FIADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](c2ccccc2)CC4)nc1 ZINC000133636285 1123507619 /nfs/dbraw/zinc/50/76/19/1123507619.db2.gz XMKMCBRMMWTEAJ-AWEZNQCLSA-N -1 1 374.469 4.023 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000134681568 1123661198 /nfs/dbraw/zinc/66/11/98/1123661198.db2.gz ZUJDTGCTORMITI-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM C[C@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)C1CCCCC1 ZINC000175334610 1123826397 /nfs/dbraw/zinc/82/63/97/1123826397.db2.gz CPUHCFVXEKEQFC-LBPRGKRZSA-N -1 1 364.540 4.144 20 0 FIADMM CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068076838 1124030060 /nfs/dbraw/zinc/03/00/60/1124030060.db2.gz VYPJRIJYZPQHSB-UHFFFAOYSA-N -1 1 363.504 4.408 20 0 FIADMM Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000010464579 1124067079 /nfs/dbraw/zinc/06/70/79/1124067079.db2.gz HCYHBOUUNFWGBZ-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c(C)s1 ZINC000068435728 1124233456 /nfs/dbraw/zinc/23/34/56/1124233456.db2.gz CSYGKWYWCGYKHD-UHFFFAOYSA-N -1 1 364.540 4.220 20 0 FIADMM CCC[C@H](C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1)c1ccccc1 ZINC000068453894 1124248581 /nfs/dbraw/zinc/24/85/81/1124248581.db2.gz PPHNLPRTRUDZDS-KRWDZBQOSA-N -1 1 372.538 4.250 20 0 FIADMM CC[C@H](C)c1nc(C)c(Cc2nc(-c3ccc([O-])cc3F)no2)c(C)n1 ZINC000656012551 1124351165 /nfs/dbraw/zinc/35/11/65/1124351165.db2.gz FSTNCXAABSVPHU-JTQLQIEISA-N -1 1 356.401 4.092 20 0 FIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(F)c(C4CC4)c3)ccc21 ZINC000499508149 1124950128 /nfs/dbraw/zinc/95/01/28/1124950128.db2.gz VQFREXDVPLRWNS-UHFFFAOYSA-N -1 1 373.453 4.435 20 0 FIADMM CSc1cc2c(cc1[N-]C(=O)c1ncoc1-c1ccccc1)OCCO2 ZINC000112011225 1124953406 /nfs/dbraw/zinc/95/34/06/1124953406.db2.gz QOWFZRGUIQOZJF-UHFFFAOYSA-N -1 1 368.414 4.087 20 0 FIADMM COC1(CNC(=O)c2ccc([O-])c(F)c2)CCC(c2ccccc2)CC1 ZINC000672471620 1125119506 /nfs/dbraw/zinc/11/95/06/1125119506.db2.gz SUUWMLDLTKRCAH-UHFFFAOYSA-N -1 1 357.425 4.004 20 0 FIADMM O=C(Nc1ccc(OC(=O)c2ccc([O-])cc2F)cc1)c1cccs1 ZINC000181846891 1125157015 /nfs/dbraw/zinc/15/70/15/1125157015.db2.gz WZKUBRBNRXWBMR-UHFFFAOYSA-N -1 1 357.362 4.064 20 0 FIADMM CC(C)C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000113404656 1125168271 /nfs/dbraw/zinc/16/82/71/1125168271.db2.gz ZHXGFZWDQXYOMJ-OAHLLOKOSA-N -1 1 366.255 4.298 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)cc1 ZINC000542985365 1125171511 /nfs/dbraw/zinc/17/15/11/1125171511.db2.gz DLZBWOHSZRMGNM-UHFFFAOYSA-N -1 1 355.406 4.251 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)oc1C ZINC000618475292 1125188398 /nfs/dbraw/zinc/18/83/98/1125188398.db2.gz SWRPOPVKKAHIAB-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000077516467 1125218486 /nfs/dbraw/zinc/21/84/86/1125218486.db2.gz OZVIGFBISCSLJU-OAHLLOKOSA-N -1 1 361.445 4.339 20 0 FIADMM O=S(=O)([N-][C@@H]1CCCC12CCCCC2)c1cc(Cl)cnc1Cl ZINC001212488158 1125456894 /nfs/dbraw/zinc/45/68/94/1125456894.db2.gz USUASTLNWGJPGG-CYBMUJFWSA-N -1 1 363.310 4.170 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000016151598 210154438 /nfs/dbraw/zinc/15/44/38/210154438.db2.gz DIEYCHIYOMYRNB-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000008286970 210096947 /nfs/dbraw/zinc/09/69/47/210096947.db2.gz AOHQRCBYAYYGSI-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)s1 ZINC000061693048 212025308 /nfs/dbraw/zinc/02/53/08/212025308.db2.gz VTDFQAMGTSECCQ-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM CN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1[O-] ZINC000021925478 211330618 /nfs/dbraw/zinc/33/06/18/211330618.db2.gz JGNVUGUTGBQWRV-UHFFFAOYSA-N -1 1 360.660 4.142 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000071974273 136141651 /nfs/dbraw/zinc/14/16/51/136141651.db2.gz AWUHAGDBNAHAAL-UHFFFAOYSA-N -1 1 364.898 4.440 20 0 FIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)c2)n1 ZINC000604305007 568247172 /nfs/dbraw/zinc/24/71/72/568247172.db2.gz WJJRQAPUWGOHDD-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM Cc1ccccc1[C@@H](C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000604786212 568366585 /nfs/dbraw/zinc/36/65/85/568366585.db2.gz FSQKQIMTLONJEQ-KRWDZBQOSA-N -1 1 365.473 4.316 20 0 FIADMM CCCOc1ccc(CN(CCC)C(=O)c2cncc([O-])c2)cc1OCC ZINC000605182385 568606415 /nfs/dbraw/zinc/60/64/15/568606415.db2.gz PSUABLPAMIWKMN-UHFFFAOYSA-N -1 1 372.465 4.027 20 0 FIADMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1OC(F)F ZINC000032751869 1121429778 /nfs/dbraw/zinc/42/97/78/1121429778.db2.gz BWDBKTMPHWEYQZ-YWEYNIOJSA-N -1 1 366.208 4.380 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1cccc(Br)c1Cl ZINC000549999002 1100519905 /nfs/dbraw/zinc/51/99/05/1100519905.db2.gz ZCBNVASKPFXGTH-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(Cl)nc2C)c1 ZINC000182901404 1125679063 /nfs/dbraw/zinc/67/90/63/1125679063.db2.gz JJMHXTOPOKEPFS-UHFFFAOYSA-N -1 1 355.619 4.072 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000152974427 1125705933 /nfs/dbraw/zinc/70/59/33/1125705933.db2.gz BKNDHMZHGMVABS-CYBMUJFWSA-N -1 1 363.816 4.116 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(-c3ccccc3F)o2)cc1 ZINC000683171811 1079798805 /nfs/dbraw/zinc/79/88/05/1079798805.db2.gz PWIKIFOOAUXSBW-IBGZPJMESA-N -1 1 369.392 4.400 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Oc3ccccc3)o2)cc1 ZINC000683171828 1079800500 /nfs/dbraw/zinc/80/05/00/1079800500.db2.gz QGTBPBGXILXTKH-LJQANCHMSA-N -1 1 367.401 4.386 20 0 FIADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000610191861 1079865922 /nfs/dbraw/zinc/86/59/22/1079865922.db2.gz IIHMKFVBESEHCK-UHFFFAOYSA-N -1 1 367.854 4.051 20 0 FIADMM COCc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000026547114 1079907229 /nfs/dbraw/zinc/90/72/29/1079907229.db2.gz LBSVIRSCKMMCRF-UHFFFAOYSA-N -1 1 353.443 4.301 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000092605101 1079937249 /nfs/dbraw/zinc/93/72/49/1079937249.db2.gz SGTHIJXHMPYQJR-XLIONFOSSA-N -1 1 357.425 4.040 20 0 FIADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1)OCO2 ZINC000510124891 1080172169 /nfs/dbraw/zinc/17/21/69/1080172169.db2.gz MWTZMXOUMIMAHP-UHFFFAOYSA-N -1 1 367.426 4.192 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])c(F)c2)cnn1-c1ccc(F)cc1 ZINC000683255512 1080229839 /nfs/dbraw/zinc/22/98/39/1080229839.db2.gz QVTRNUFBQWVABR-UHFFFAOYSA-N -1 1 357.360 4.061 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)n2cnc3ccccc32)c1 ZINC000182908632 1080408745 /nfs/dbraw/zinc/40/87/45/1080408745.db2.gz GLXUFBXEMXGXCQ-NSHDSACASA-N -1 1 374.238 4.013 20 0 FIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(C(C)(C)C)no2)cc1 ZINC000109523524 1080592925 /nfs/dbraw/zinc/59/29/25/1080592925.db2.gz LXPKUFNMYUQYQX-UHFFFAOYSA-N -1 1 371.462 4.143 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000683324038 1080622844 /nfs/dbraw/zinc/62/28/44/1080622844.db2.gz DYTGNKDBPRXRKZ-UHFFFAOYSA-N -1 1 373.396 4.336 20 0 FIADMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C)c2cccc(F)c2F)cnc1Cl ZINC001266391787 1080646293 /nfs/dbraw/zinc/64/62/93/1080646293.db2.gz WHWDDBMGTOXQSF-VIFPVBQESA-N -1 1 360.738 4.291 20 0 FIADMM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc([O-])c(F)c1 ZINC000683345417 1080686634 /nfs/dbraw/zinc/68/66/34/1080686634.db2.gz YZUWUCUMIICLGB-AWEZNQCLSA-N -1 1 369.421 4.103 20 0 FIADMM O=C(N[C@@H](CCO)c1ccc(Cl)c(F)c1)c1cc2ccccc2cc1[O-] ZINC001648804993 1080997218 /nfs/dbraw/zinc/99/72/18/1080997218.db2.gz UXUJCVPJDLIWSM-SFHVURJKSA-N -1 1 373.811 4.191 20 0 FIADMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1coc(C2CCC2)n1 ZINC000683453144 1081020909 /nfs/dbraw/zinc/02/09/09/1081020909.db2.gz YSOIURXTZLCOET-UHFFFAOYSA-N -1 1 366.402 4.459 20 0 FIADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647097682 1081265063 /nfs/dbraw/zinc/26/50/63/1081265063.db2.gz HDNWPFGMQNRBHT-MQMHXKEQSA-N -1 1 353.315 4.226 20 0 FIADMM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc(F)c1[O-] ZINC001648850604 1081294622 /nfs/dbraw/zinc/29/46/22/1081294622.db2.gz IXMJUKDUSRZBOH-VIFPVBQESA-N -1 1 370.193 4.250 20 0 FIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC000683708149 1081419928 /nfs/dbraw/zinc/41/99/28/1081419928.db2.gz QEYSORDQUHBHKG-SNVBAGLBSA-N -1 1 359.854 4.048 20 0 FIADMM CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCCCC1 ZINC000548032723 1081516797 /nfs/dbraw/zinc/51/67/97/1081516797.db2.gz XXFAOXPUDJWEDP-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM O=C(Cc1cccc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000119444915 1081561811 /nfs/dbraw/zinc/56/18/11/1081561811.db2.gz JOGWXGMAVJFIKI-UHFFFAOYSA-N -1 1 373.452 4.209 20 0 FIADMM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(F)cc(Br)c1F ZINC000683798345 1081581970 /nfs/dbraw/zinc/58/19/70/1081581970.db2.gz IMGWJRAPGLZAFJ-UHFFFAOYSA-N -1 1 367.096 4.214 20 0 FIADMM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2C1 ZINC000045946943 1081608382 /nfs/dbraw/zinc/60/83/82/1081608382.db2.gz GNZSRICNJWKGHT-SECBINFHSA-N -1 1 372.416 4.288 20 0 FIADMM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000160435823 1081762372 /nfs/dbraw/zinc/76/23/72/1081762372.db2.gz BPTBJOVQQKHEQX-INIZCTEOSA-N -1 1 372.469 4.058 20 0 FIADMM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3c([O-])cccc3F)c21 ZINC000089541253 1081901092 /nfs/dbraw/zinc/90/10/92/1081901092.db2.gz LAHABIFNWSZWDY-UHFFFAOYSA-N -1 1 355.369 4.321 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000055594985 1081905924 /nfs/dbraw/zinc/90/59/24/1081905924.db2.gz QWWDFAXHQRPAPN-UHFFFAOYSA-N -1 1 372.490 4.023 20 0 FIADMM Cc1nc(-c2ccc(N[C@H](C)CCCc3cccnc3)nc2)[n-]c(=O)c1C ZINC000413400480 1081926871 /nfs/dbraw/zinc/92/68/71/1081926871.db2.gz UHZWGEITTYKXTR-CQSZACIVSA-N -1 1 363.465 4.079 20 0 FIADMM CC(C)n1cnc([N-]C(=O)c2sc(-c3ccccc3)nc2C(F)F)n1 ZINC000650283550 1081933655 /nfs/dbraw/zinc/93/36/55/1081933655.db2.gz DTLYTDCZKCTGCU-UHFFFAOYSA-N -1 1 363.393 4.172 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000684057817 1082147070 /nfs/dbraw/zinc/14/70/70/1082147070.db2.gz RMBQXEXLUKQCKA-UHFFFAOYSA-N -1 1 360.291 4.249 20 0 FIADMM Cc1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c2cnn(C)c2n1 ZINC001167441224 1082267635 /nfs/dbraw/zinc/26/76/35/1082267635.db2.gz ZYNZYIXLYQSLNR-UHFFFAOYSA-N -1 1 366.808 4.041 20 0 FIADMM CCOc1c(Cl)cc(-c2nc(=O)c3sc(C)cc3[n-]2)cc1OC ZINC000656492133 1082480185 /nfs/dbraw/zinc/48/01/85/1082480185.db2.gz WVMFXFXMMSQNPA-UHFFFAOYSA-N -1 1 350.827 4.433 20 0 FIADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000656737429 1082738563 /nfs/dbraw/zinc/73/85/63/1082738563.db2.gz FRMPTJZTSGVVHS-UHFFFAOYSA-N -1 1 365.307 4.263 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656769646 1082761051 /nfs/dbraw/zinc/76/10/51/1082761051.db2.gz RYTZVZGRSLHBNK-DLBZAZTESA-N -1 1 372.292 4.400 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000622467603 1082967023 /nfs/dbraw/zinc/96/70/23/1082967023.db2.gz ZYOLNADWZLWCKM-UHFFFAOYSA-N -1 1 366.179 4.276 20 0 FIADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1c(Cl)cc(F)cc1Cl ZINC000431167636 1083374290 /nfs/dbraw/zinc/37/42/90/1083374290.db2.gz DQEPLMNZAQFNNX-UHFFFAOYSA-N -1 1 374.142 4.351 20 0 FIADMM CCC[C@@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177045143 1083426455 /nfs/dbraw/zinc/42/64/55/1083426455.db2.gz TZLPOJFAQNEQIG-GFCCVEGCSA-N -1 1 356.447 4.131 20 0 FIADMM CC(=O)N[C@H](CCC(C)C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233890 1083597670 /nfs/dbraw/zinc/59/76/70/1083597670.db2.gz ZYIVVPHKYGDFFE-MRXNPFEDSA-N -1 1 362.857 4.078 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(C(F)(F)F)CC1 ZINC000548941792 1083912665 /nfs/dbraw/zinc/91/26/65/1083912665.db2.gz IPLZHBYNBPHGEC-UHFFFAOYSA-N -1 1 358.747 4.008 20 0 FIADMM COc1cc(CN(C(=O)c2cc3ccccc3cc2[O-])C2CC2)ccc1O ZINC000092763662 1084123346 /nfs/dbraw/zinc/12/33/46/1084123346.db2.gz YRJYTQOABONECB-UHFFFAOYSA-N -1 1 363.413 4.064 20 0 FIADMM CC1(C)CCC(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000124601224 1084224513 /nfs/dbraw/zinc/22/45/13/1084224513.db2.gz NOMHMQDJYVDMMP-UHFFFAOYSA-N -1 1 357.494 4.420 20 0 FIADMM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([O-])cc1F ZINC000414020045 1084292798 /nfs/dbraw/zinc/29/27/98/1084292798.db2.gz OEUPELGWUJJFMP-AWEZNQCLSA-N -1 1 372.440 4.028 20 0 FIADMM Cc1nc2cc(C(=O)Nc3cc(C)cc(Br)c3[O-])ccc2o1 ZINC000472500335 1084338435 /nfs/dbraw/zinc/33/84/35/1084338435.db2.gz MVCOCAGSQDRVRL-UHFFFAOYSA-N -1 1 361.195 4.165 20 0 FIADMM Cc1ccc(C(=O)C2CCN(Cc3c(Cl)cccc3C(=O)[O-])CC2)cc1 ZINC000563277429 1084747910 /nfs/dbraw/zinc/74/79/10/1084747910.db2.gz IAAYGYUWIYNRJL-UHFFFAOYSA-N -1 1 371.864 4.442 20 0 FIADMM O=C([O-])c1cccc(Cl)c1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000563285276 1084774175 /nfs/dbraw/zinc/77/41/75/1084774175.db2.gz XQWDTSKORDBCNM-QGZVFWFLSA-N -1 1 373.880 4.262 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1 ZINC000174771572 1084826010 /nfs/dbraw/zinc/82/60/10/1084826010.db2.gz GVPSYNCGELMKHE-UHFFFAOYSA-N -1 1 370.430 4.073 20 0 FIADMM CCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)s1 ZINC000121782924 1084838976 /nfs/dbraw/zinc/83/89/76/1084838976.db2.gz ZTPJXRURWZBWTE-WFASDCNBSA-N -1 1 355.463 4.180 20 0 FIADMM CCc1nc(C(C)C)ccc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000549040224 1084874464 /nfs/dbraw/zinc/87/44/64/1084874464.db2.gz NSJWJOCUQQQFOZ-UHFFFAOYSA-N -1 1 373.522 4.437 20 0 FIADMM CCc1nc(C(C)C)ccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000549040224 1084874474 /nfs/dbraw/zinc/87/44/74/1084874474.db2.gz NSJWJOCUQQQFOZ-UHFFFAOYSA-N -1 1 373.522 4.437 20 0 FIADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000175548613 1084965462 /nfs/dbraw/zinc/96/54/62/1084965462.db2.gz HRCALWXLTSMATI-RMKBEBRYSA-N -1 1 367.470 4.116 20 0 FIADMM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000096994093 1084993303 /nfs/dbraw/zinc/99/33/03/1084993303.db2.gz AEJCAFKKJNHHSN-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000175776749 1085002840 /nfs/dbraw/zinc/00/28/40/1085002840.db2.gz BVZOXDGMMWZIIL-UHFFFAOYSA-N -1 1 371.380 4.185 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H](c2ccccc2)O1 ZINC000684873365 1085003348 /nfs/dbraw/zinc/00/33/48/1085003348.db2.gz AVZUBBWJCNCBHG-YVEFUNNKSA-N -1 1 365.351 4.013 20 0 FIADMM Cc1nc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)c2)no1 ZINC000684874460 1085010214 /nfs/dbraw/zinc/01/02/14/1085010214.db2.gz OSIKMSKQAPWABH-UHFFFAOYSA-N -1 1 363.295 4.022 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](c2ccccc2)CO1 ZINC000684875744 1085012132 /nfs/dbraw/zinc/01/21/32/1085012132.db2.gz LEKUPGHDDDALCJ-BLLLJJGKSA-N -1 1 365.351 4.013 20 0 FIADMM COc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c2cccnc12 ZINC000684874923 1085013315 /nfs/dbraw/zinc/01/33/15/1085013315.db2.gz XXMPOTRYUDUPES-UHFFFAOYSA-N -1 1 362.307 4.220 20 0 FIADMM CCC(CC)c1cc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)on1 ZINC000684875350 1085014766 /nfs/dbraw/zinc/01/47/66/1085014766.db2.gz HQLKHKPCSGXCEW-UHFFFAOYSA-N -1 1 356.344 4.233 20 0 FIADMM O=C1c2ccccc2N[C@H](c2cc(F)c([O-])c(F)c2)N1Cc1ccco1 ZINC000175926653 1085039212 /nfs/dbraw/zinc/03/92/12/1085039212.db2.gz FCCKXQSNXSMIRY-SFHVURJKSA-N -1 1 356.328 4.030 20 0 FIADMM CCOC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1ocnc1C(F)F ZINC001125992122 1085276346 /nfs/dbraw/zinc/27/63/46/1085276346.db2.gz VESKAGFABHIGEJ-UHFFFAOYSA-N -1 1 372.393 4.400 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(Cl)cc1Br)c1cccs1 ZINC000125609734 1085361465 /nfs/dbraw/zinc/36/14/65/1085361465.db2.gz VWGPAYXDDPYWMM-LBPRGKRZSA-N -1 1 374.687 4.470 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@H](c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000431477724 1085460441 /nfs/dbraw/zinc/46/04/41/1085460441.db2.gz MUHXQIOIWPHPEV-LJQANCHMSA-N -1 1 360.461 4.245 20 0 FIADMM O=C(c1nc[n-]c1-c1nc([C@@H]2CCCc3ccccc32)no1)c1ccccc1 ZINC000582870229 1085864627 /nfs/dbraw/zinc/86/46/27/1085864627.db2.gz DSJKCGDPBQLWKA-QGZVFWFLSA-N -1 1 370.412 4.159 20 0 FIADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1C(F)(F)F ZINC000511910287 1085953808 /nfs/dbraw/zinc/95/38/08/1085953808.db2.gz VIMUSHRBYKKGCL-VIFPVBQESA-N -1 1 365.323 4.023 20 0 FIADMM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000647271483 1086087930 /nfs/dbraw/zinc/08/79/30/1086087930.db2.gz MNEVPJWUYSOSSQ-UHFFFAOYSA-N -1 1 351.443 4.241 20 0 FIADMM O=C([O-])c1cccc2c1CN(CCc1cccc(Cl)c1Cl)CC2 ZINC000652487485 1086114241 /nfs/dbraw/zinc/11/42/41/1086114241.db2.gz HGMCDPQXMJIASG-UHFFFAOYSA-N -1 1 350.245 4.292 20 0 FIADMM CCC1CCC(CNC(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000122080205 1086310529 /nfs/dbraw/zinc/31/05/29/1086310529.db2.gz UPZQKOWCFFZMBD-UHFFFAOYSA-N -1 1 364.540 4.002 20 0 FIADMM O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cncc([O-])c1 ZINC000583160185 1086322356 /nfs/dbraw/zinc/32/23/56/1086322356.db2.gz QAQCRYMTCGIGRJ-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM O=C([O-])CC[C@H](CNCc1ccc(Oc2ccccc2)o1)C(F)(F)F ZINC000663261308 1086342494 /nfs/dbraw/zinc/34/24/94/1086342494.db2.gz JCBHNWGHMGZSPS-GFCCVEGCSA-N -1 1 357.328 4.205 20 0 FIADMM Cc1ccc(-c2nc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)cs2)cc1 ZINC000663260529 1086345689 /nfs/dbraw/zinc/34/56/89/1086345689.db2.gz AOAAJAFRBMUYPV-CYBMUJFWSA-N -1 1 372.412 4.251 20 0 FIADMM CC(=O)CCc1ccc(O[C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000278145484 1086429361 /nfs/dbraw/zinc/42/93/61/1086429361.db2.gz LPBBPEWSWXLIHV-CYBMUJFWSA-N -1 1 370.380 4.243 20 0 FIADMM C[C@@H]1COCC[C@H]1c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000583242172 1086457233 /nfs/dbraw/zinc/45/72/33/1086457233.db2.gz DKXJXFRTIOCQHZ-CZUORRHYSA-N -1 1 352.390 4.375 20 0 FIADMM O=C([O-])c1ccccc1CCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000262269522 1086525272 /nfs/dbraw/zinc/52/52/72/1086525272.db2.gz XUWZYHFBTJPFGJ-UHFFFAOYSA-N -1 1 363.417 4.100 20 0 FIADMM O=C(CC1CCCC1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171774 1086551942 /nfs/dbraw/zinc/55/19/42/1086551942.db2.gz WNEHSDUZOQBEHP-UHFFFAOYSA-N -1 1 368.458 4.275 20 0 FIADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000066960939 1086560073 /nfs/dbraw/zinc/56/00/73/1086560073.db2.gz OSVGNLXQWPYUDH-UHFFFAOYSA-N -1 1 359.288 4.089 20 0 FIADMM COc1cc(C(=O)N[C@@H](CCc2ccccc2)C(F)F)cc(Cl)c1[O-] ZINC000628757268 1086600961 /nfs/dbraw/zinc/60/09/61/1086600961.db2.gz YPHVVJVFTGNRAY-AWEZNQCLSA-N -1 1 369.795 4.051 20 0 FIADMM CCO[C@H](C)c1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000151039766 1086776845 /nfs/dbraw/zinc/77/68/45/1086776845.db2.gz CCQGRHXZWYTFDC-SSDOTTSWSA-N -1 1 365.402 4.047 20 0 FIADMM O=S(=O)([N-]C1(Cc2cccc(F)c2)CCC1)c1cc2ccccc2o1 ZINC001211589005 1086802595 /nfs/dbraw/zinc/80/25/95/1086802595.db2.gz FRPNHLDBEYRTSX-UHFFFAOYSA-N -1 1 359.422 4.016 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Br)cc1Cl)c1ccccc1 ZINC000168222541 1086999223 /nfs/dbraw/zinc/99/92/23/1086999223.db2.gz LHPNNQZUEGREJN-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000022957248 1087170187 /nfs/dbraw/zinc/17/01/87/1087170187.db2.gz MLTRTFMGIFOPSW-UHFFFAOYSA-N -1 1 363.382 4.108 20 0 FIADMM C[C@@H]1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000584291623 1087250435 /nfs/dbraw/zinc/25/04/35/1087250435.db2.gz ZEEHAKQMIJNKOU-ABAIWWIYSA-N -1 1 350.871 4.006 20 0 FIADMM Cc1ccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1F ZINC000088765066 1087379313 /nfs/dbraw/zinc/37/93/13/1087379313.db2.gz UVUBUXVJLXWBMC-CQSZACIVSA-N -1 1 352.413 4.069 20 0 FIADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000171201768 1087517264 /nfs/dbraw/zinc/51/72/64/1087517264.db2.gz QJZVFQLBBXLJTE-UHFFFAOYSA-N -1 1 374.400 4.027 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(F)c(SC)c(F)c2)cc1 ZINC000612005665 1087706108 /nfs/dbraw/zinc/70/61/08/1087706108.db2.gz WPDRBOCMNDPCFE-UHFFFAOYSA-N -1 1 361.460 4.209 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000612058665 1087727551 /nfs/dbraw/zinc/72/75/51/1087727551.db2.gz HHYWGPRNJRLBIE-UHFFFAOYSA-N -1 1 368.861 4.270 20 0 FIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccccc3C(F)F)ccc2O1 ZINC000424071950 1087746400 /nfs/dbraw/zinc/74/64/00/1087746400.db2.gz WDWZDWVMEWXIHO-UHFFFAOYSA-N -1 1 353.390 4.139 20 0 FIADMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc(CCc2ccccc2)n1 ZINC000424256713 1087875864 /nfs/dbraw/zinc/87/58/64/1087875864.db2.gz JMKWDPKXQBLPLN-SFHVURJKSA-N -1 1 358.507 4.148 20 0 FIADMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000424257303 1087876523 /nfs/dbraw/zinc/87/65/23/1087876523.db2.gz KJGAYTAMVVNREK-LBPRGKRZSA-N -1 1 366.433 4.308 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000102900107 1087902907 /nfs/dbraw/zinc/90/29/07/1087902907.db2.gz GXWXVODEZLNIQG-KRWDZBQOSA-N -1 1 370.522 4.097 20 0 FIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000685916306 1087916539 /nfs/dbraw/zinc/91/65/39/1087916539.db2.gz IHUXCWWMLJRMSZ-UHFFFAOYSA-N -1 1 361.410 4.158 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc3oc(CC)nc3c2)cc(Cl)c1[O-] ZINC000186655843 1087955060 /nfs/dbraw/zinc/95/50/60/1087955060.db2.gz CWCGQPWSWAZVBP-UHFFFAOYSA-N -1 1 360.797 4.400 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](c2ncccc2C)C(C)C)cc(Cl)c1[O-] ZINC000186814013 1087995563 /nfs/dbraw/zinc/99/55/63/1087995563.db2.gz GADFMVMYLLSQRT-MRXNPFEDSA-N -1 1 362.857 4.275 20 0 FIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(F)cc(Cl)c3[O-])[nH]c2c1 ZINC000178212676 1088509836 /nfs/dbraw/zinc/50/98/36/1088509836.db2.gz HOVXAZCQEHGIRN-INIZCTEOSA-N -1 1 373.815 4.347 20 0 FIADMM O=C1C[C@]2(CCCN(Cc3cccc([O-])c3Cl)C2)Oc2ccccc21 ZINC000628425933 1088517784 /nfs/dbraw/zinc/51/77/84/1088517784.db2.gz ZLIRUQZFHWKKGT-FQEVSTJZSA-N -1 1 357.837 4.046 20 0 FIADMM COc1ccc(-c2nc(NC(=O)c3ccc([O-])cc3F)sc2C)cc1 ZINC000181076974 1088783793 /nfs/dbraw/zinc/78/37/93/1088783793.db2.gz CHTFZZGIGNUAEP-UHFFFAOYSA-N -1 1 358.394 4.224 20 0 FIADMM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc([O-])cc1F ZINC000181081762 1088787406 /nfs/dbraw/zinc/78/74/06/1088787406.db2.gz PDJVTIPLPKCWDO-UHFFFAOYSA-N -1 1 353.378 4.160 20 0 FIADMM Cc1oc(-c2cccs2)nc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000659789554 1088859817 /nfs/dbraw/zinc/85/98/17/1088859817.db2.gz DUQBPOFPJNIXIN-UHFFFAOYSA-N -1 1 356.447 4.188 20 0 FIADMM CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000188147025 1088905541 /nfs/dbraw/zinc/90/55/41/1088905541.db2.gz BQDXXSPKPGIODI-LBPRGKRZSA-N -1 1 357.479 4.302 20 0 FIADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000545365881 1089225293 /nfs/dbraw/zinc/22/52/93/1089225293.db2.gz KDFXXVUKYXAILC-UHFFFAOYSA-N -1 1 363.504 4.189 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000613665317 1089249401 /nfs/dbraw/zinc/24/94/01/1089249401.db2.gz LOXKTEMZSZBEPL-UHFFFAOYSA-N -1 1 372.428 4.395 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1csc(-c2cccs2)n1 ZINC000613667412 1089256770 /nfs/dbraw/zinc/25/67/70/1089256770.db2.gz SHZDXYOUTUOODD-UHFFFAOYSA-N -1 1 368.443 4.220 20 0 FIADMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613668398 1089266738 /nfs/dbraw/zinc/26/67/38/1089266738.db2.gz OTIYMOYSSYBITF-CQSZACIVSA-N -1 1 365.433 4.312 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)c1 ZINC000435136727 1089322788 /nfs/dbraw/zinc/32/27/88/1089322788.db2.gz GQUSMKYBXLGKLY-UHFFFAOYSA-N -1 1 356.472 4.342 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Br)c(C)c1 ZINC000435139829 1089338711 /nfs/dbraw/zinc/33/87/11/1089338711.db2.gz XXQMBRPSBKTMFK-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM [O-]c1cccc(CNc2cc3c(cc2Br)OCCO3)c1Cl ZINC000328356502 1089431599 /nfs/dbraw/zinc/43/15/99/1089431599.db2.gz OFRJBWSAWYJNPI-UHFFFAOYSA-N -1 1 370.630 4.191 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000644727001 1089758235 /nfs/dbraw/zinc/75/82/35/1089758235.db2.gz LXDOCLXTZDLOOY-UHFFFAOYSA-N -1 1 360.335 4.022 20 0 FIADMM CC[C@]1(C)CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000515068533 1089768549 /nfs/dbraw/zinc/76/85/49/1089768549.db2.gz UDGKBOIBEZSERE-GOEBONIOSA-N -1 1 358.251 4.226 20 0 FIADMM CCO[C@H](C)c1nc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC000377766181 1089785601 /nfs/dbraw/zinc/78/56/01/1089785601.db2.gz YTNAAVONIZSNJV-CQSZACIVSA-N -1 1 374.506 4.041 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(OCC2CC2)CC1 ZINC000515305640 1089946601 /nfs/dbraw/zinc/94/66/01/1089946601.db2.gz DDWBZGDTMQIZGR-MRXNPFEDSA-N -1 1 358.265 4.010 20 0 FIADMM Cc1ccc(-c2cnc(CCC(=O)Nc3cc([O-])c(F)cc3F)o2)cc1 ZINC001625894098 1089975761 /nfs/dbraw/zinc/97/57/61/1089975761.db2.gz RWBWIYYWIGFDNS-UHFFFAOYSA-N -1 1 358.344 4.205 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(CCc2ccccc2)s1)c1ccsc1 ZINC000417539635 1090921063 /nfs/dbraw/zinc/92/10/63/1090921063.db2.gz VVHXUKYEIXLWMD-KRWDZBQOSA-N -1 1 372.515 4.295 20 0 FIADMM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC000417580180 1090931028 /nfs/dbraw/zinc/93/10/28/1090931028.db2.gz CSHZMHOMYLULNR-PXAZEXFGSA-N -1 1 365.470 4.301 20 0 FIADMM Cc1c(CN[C@@H](COC(C)(C)C)C(=O)[O-])sc2c1cccc2Cl ZINC000417603282 1090936455 /nfs/dbraw/zinc/93/64/55/1090936455.db2.gz XPRDAMHSRHICDQ-ZDUSSCGKSA-N -1 1 355.887 4.221 20 0 FIADMM C[C@H](CC(=O)Nc1cccc([O-])c1Br)c1ccccc1F ZINC001141218773 1090977834 /nfs/dbraw/zinc/97/78/34/1090977834.db2.gz INXYUULXXACZPE-SNVBAGLBSA-N -1 1 352.203 4.426 20 0 FIADMM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000651498025 1091172269 /nfs/dbraw/zinc/17/22/69/1091172269.db2.gz KFVBCMIGCQKSLD-CQSZACIVSA-N -1 1 371.864 4.271 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1C(F)(F)F ZINC000500310452 1091267563 /nfs/dbraw/zinc/26/75/63/1091267563.db2.gz IYYMIVDPQIVKQG-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1Cl ZINC000511686304 1091541492 /nfs/dbraw/zinc/54/14/92/1091541492.db2.gz GSRCEPAWYUSJFN-UHFFFAOYSA-N -1 1 369.870 4.074 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C(F)(F)F ZINC000432614510 1092000324 /nfs/dbraw/zinc/00/03/24/1092000324.db2.gz FJRAMGPUGRWOLP-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)CCC(C)(C)O3)[n-]c1=O ZINC000432707508 1092163705 /nfs/dbraw/zinc/16/37/05/1092163705.db2.gz XTVYGMLXMJHJGV-RAXLEYEMSA-N -1 1 368.433 4.023 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1C(C)C ZINC000432768761 1092306706 /nfs/dbraw/zinc/30/67/06/1092306706.db2.gz MPHBJVYTEAWROK-UHFFFAOYSA-N -1 1 373.478 4.113 20 0 FIADMM C[C@@H](CN=c1[n-]c(C(F)(F)F)c(Br)s1)c1nccs1 ZINC000418920883 1092325961 /nfs/dbraw/zinc/32/59/61/1092325961.db2.gz ZYQKNGSIYSPFDE-YFKPBYRVSA-N -1 1 372.235 4.018 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CSC)cc1Cl ZINC000432778735 1092341845 /nfs/dbraw/zinc/34/18/45/1092341845.db2.gz HUGWKAQJFOQPIJ-UHFFFAOYSA-N -1 1 371.911 4.321 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1[nH]c2ccccc2c1Cl ZINC000521091166 1092490407 /nfs/dbraw/zinc/49/04/07/1092490407.db2.gz WUHGXHIIVHICBH-UHFFFAOYSA-N -1 1 352.781 4.169 20 0 FIADMM Cc1ccc(-c2csc(NC(=O)c3csc(=NC4CC4)[n-]3)n2)c(C)c1 ZINC000607052176 1092845463 /nfs/dbraw/zinc/84/54/63/1092845463.db2.gz KRPDBVQPNZAXAC-UHFFFAOYSA-N -1 1 370.503 4.132 20 0 FIADMM COc1cc(C(=O)Nc2c(C)cccc2OC(F)F)cc(Cl)c1[O-] ZINC000442938623 1092875021 /nfs/dbraw/zinc/87/50/21/1092875021.db2.gz BBOSVWAVBXFDBS-UHFFFAOYSA-N -1 1 357.740 4.216 20 0 FIADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)s1 ZINC000442959474 1092889294 /nfs/dbraw/zinc/88/92/94/1092889294.db2.gz AEJZUYDGVTYGTB-JTQLQIEISA-N -1 1 368.886 4.215 20 0 FIADMM COc1cc(C(=O)NCc2cccc(-c3ccccn3)c2)cc(Cl)c1[O-] ZINC000443064083 1092924656 /nfs/dbraw/zinc/92/46/56/1092924656.db2.gz ZQDQRBRWWVXFKS-UHFFFAOYSA-N -1 1 368.820 4.046 20 0 FIADMM COc1cc(-c2nc(Cc3ccc(Cl)cc3)no2)cc(Cl)c1[O-] ZINC000443082993 1092941183 /nfs/dbraw/zinc/94/11/83/1092941183.db2.gz ZRPXOZRYLBEYER-UHFFFAOYSA-N -1 1 351.189 4.348 20 0 FIADMM COc1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)cc(Cl)c1[O-] ZINC000443121440 1092953634 /nfs/dbraw/zinc/95/36/34/1092953634.db2.gz RIZLIYXYJXJMTJ-UHFFFAOYSA-N -1 1 371.742 4.276 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)cc(Cl)c1[O-] ZINC000443126238 1092955486 /nfs/dbraw/zinc/95/54/86/1092955486.db2.gz AAKKRKXVQUBELJ-AWEZNQCLSA-N -1 1 359.853 4.301 20 0 FIADMM COc1cc(C(=O)Nc2c(C)noc2-c2ccccc2)cc(Cl)c1[O-] ZINC000443128162 1092955725 /nfs/dbraw/zinc/95/57/25/1092955725.db2.gz JXBVSSBJHRQOQM-UHFFFAOYSA-N -1 1 358.781 4.270 20 0 FIADMM COc1cc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)cc(Cl)c1[O-] ZINC000443129783 1092956513 /nfs/dbraw/zinc/95/65/13/1092956513.db2.gz HHDZUWGMFVFUIH-ZBTGYSDGSA-N -1 1 357.837 4.372 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ncccc1Oc1ccccc1 ZINC000443315389 1093047305 /nfs/dbraw/zinc/04/73/05/1093047305.db2.gz NDMFWIJVAIXBTD-UHFFFAOYSA-N -1 1 372.384 4.222 20 0 FIADMM [O-]c1cccc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)c1Cl ZINC000512657700 1093095440 /nfs/dbraw/zinc/09/54/40/1093095440.db2.gz HHNSZOGHMWUBKB-INIZCTEOSA-N -1 1 356.224 4.412 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000443408519 1093099118 /nfs/dbraw/zinc/09/91/18/1093099118.db2.gz TWFQQHJJCCKXLB-UHFFFAOYSA-N -1 1 370.430 4.073 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000443410765 1093099820 /nfs/dbraw/zinc/09/98/20/1093099820.db2.gz BFSZVOOFMNLQIE-UHFFFAOYSA-N -1 1 370.430 4.073 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000010463187 1093173496 /nfs/dbraw/zinc/17/34/96/1093173496.db2.gz YUVYGMPHRFGEAV-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000433120847 1093272849 /nfs/dbraw/zinc/27/28/49/1093272849.db2.gz LHKZEUTXOUINPX-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM O=C(NCc1ccc2sccc2c1)c1c([O-])cnc2c(F)cccc21 ZINC001141761208 1093343210 /nfs/dbraw/zinc/34/32/10/1093343210.db2.gz DJHPBTJSJYQWCY-UHFFFAOYSA-N -1 1 352.390 4.224 20 0 FIADMM Cc1cc(C)cc(OCCCSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000500893816 1093359522 /nfs/dbraw/zinc/35/95/22/1093359522.db2.gz MHZAQDVNROKKPB-UHFFFAOYSA-N -1 1 374.506 4.242 20 0 FIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)c2)n1 ZINC000522361664 1093412493 /nfs/dbraw/zinc/41/24/93/1093412493.db2.gz DCVXMKXBKPAJRZ-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](Cc4ccccc4)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000474175886 1093548736 /nfs/dbraw/zinc/54/87/36/1093548736.db2.gz LPQCOAGMVCOTKO-PKOBYXMFSA-N -1 1 374.488 4.319 20 0 FIADMM CCc1cc2c(CN3CCCc4cccc(F)c43)cc(=O)oc2cc1[O-] ZINC001168034557 1093753821 /nfs/dbraw/zinc/75/38/21/1093753821.db2.gz JLINCDIZJLHNDE-UHFFFAOYSA-N -1 1 353.393 4.153 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000010516314 1093874336 /nfs/dbraw/zinc/87/43/36/1093874336.db2.gz PZHRYRGZMHUTLR-UHFFFAOYSA-N -1 1 365.760 4.082 20 0 FIADMM Cc1ccc(Cl)c(C)c1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939030 1093961657 /nfs/dbraw/zinc/96/16/57/1093961657.db2.gz NFIGGSGATIUJOR-UHFFFAOYSA-N -1 1 351.770 4.042 20 0 FIADMM CSc1ccccc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000433700241 1094055074 /nfs/dbraw/zinc/05/50/74/1094055074.db2.gz VUGITVMPWFCLQX-UHFFFAOYSA-N -1 1 352.415 4.251 20 0 FIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000026253417 1094158182 /nfs/dbraw/zinc/15/81/82/1094158182.db2.gz JPDNBPPSXYUNNU-UHFFFAOYSA-N -1 1 366.274 4.007 20 0 FIADMM Cc1nc(-c2ccc(N3CCCC4(CCCC4)CC3)nc2)[n-]c(=O)c1C ZINC000664207339 1094210591 /nfs/dbraw/zinc/21/05/91/1094210591.db2.gz YPNCPWNMDGOFLV-UHFFFAOYSA-N -1 1 352.482 4.412 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3CCSC4(CCC4)C3)nc2)[n-]c(=O)c1C ZINC000896254069 1094489591 /nfs/dbraw/zinc/48/95/91/1094489591.db2.gz NIHPYIAXEHFMLJ-OAHLLOKOSA-N -1 1 356.495 4.091 20 0 FIADMM Cc1cc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)sc1Cl ZINC000420734134 1095053198 /nfs/dbraw/zinc/05/31/98/1095053198.db2.gz JAVQLKOQCYDCPF-NSHDSACASA-N -1 1 365.854 4.385 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1 ZINC000502422740 1095463096 /nfs/dbraw/zinc/46/30/96/1095463096.db2.gz ADDLTNHCTJBIJP-UHFFFAOYSA-N -1 1 357.426 4.144 20 0 FIADMM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1ccc(Cl)s1 ZINC000444033740 1095632212 /nfs/dbraw/zinc/63/22/12/1095632212.db2.gz NIUHZAGQXLCTOA-UHFFFAOYSA-N -1 1 370.927 4.188 20 0 FIADMM Cc1cc(C)c(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)c1 ZINC000522827960 1095754661 /nfs/dbraw/zinc/75/46/61/1095754661.db2.gz JSXXGCSUVNEFBD-UHFFFAOYSA-N -1 1 356.369 4.101 20 0 FIADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000103057932 1095944635 /nfs/dbraw/zinc/94/46/35/1095944635.db2.gz RVLREOQZEWQOTG-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](c2cccnc2)C(C)C)c1 ZINC000436048069 1098676498 /nfs/dbraw/zinc/67/64/98/1098676498.db2.gz DTYNGVWEDAJVKJ-HNNXBMFYSA-N -1 1 363.255 4.236 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000515632839 1098780227 /nfs/dbraw/zinc/78/02/27/1098780227.db2.gz DQVKVOYAIDAVRR-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000436176160 1098800490 /nfs/dbraw/zinc/80/04/90/1098800490.db2.gz HNZJHCXHDUWGSA-UHFFFAOYSA-N -1 1 372.343 4.435 20 0 FIADMM O=C([N-]c1cc(-c2ccccc2)on1)c1c(F)cc(C(F)(F)F)cc1F ZINC000515662253 1098819548 /nfs/dbraw/zinc/81/95/48/1098819548.db2.gz LTYBDVPGLYCRFE-UHFFFAOYSA-N -1 1 368.261 4.313 20 0 FIADMM CCOc1cc(C(=O)NCC[C@H](OCC)C2CCCC2)cc(Cl)c1[O-] ZINC000436527530 1099082773 /nfs/dbraw/zinc/08/27/73/1099082773.db2.gz TZAZASLDJDUNFH-INIZCTEOSA-N -1 1 369.889 4.160 20 0 FIADMM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436548305 1099094933 /nfs/dbraw/zinc/09/49/33/1099094933.db2.gz QMITYYSLEYJNHD-UHFFFAOYSA-N -1 1 368.658 4.123 20 0 FIADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436547522 1099095764 /nfs/dbraw/zinc/09/57/64/1099095764.db2.gz QVLNYACCMKKNHW-KWQFWETISA-N -1 1 355.278 4.214 20 0 FIADMM O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000436560864 1099114948 /nfs/dbraw/zinc/11/49/48/1099114948.db2.gz FYFGKYKKYBXBAP-CYBMUJFWSA-N -1 1 352.337 4.035 20 0 FIADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000436591609 1099123007 /nfs/dbraw/zinc/12/30/07/1099123007.db2.gz QTXPIGLFMBXYPZ-HNNXBMFYSA-N -1 1 359.853 4.149 20 0 FIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(Cc2cncs2)no1 ZINC000436594339 1099126752 /nfs/dbraw/zinc/12/67/52/1099126752.db2.gz GQNYWIJIKUMOJX-UHFFFAOYSA-N -1 1 351.387 4.282 20 0 FIADMM Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436598989 1099128787 /nfs/dbraw/zinc/12/87/87/1099128787.db2.gz BMNOAPYGHIWVOR-HXUWFJFHSA-N -1 1 374.440 4.097 20 0 FIADMM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc(F)ccc1[O-] ZINC000436584647 1099133560 /nfs/dbraw/zinc/13/35/60/1099133560.db2.gz JNTWNWXYOBTBCM-SFHVURJKSA-N -1 1 356.784 4.099 20 0 FIADMM O=C(Nc1cccn(Cc2ccccc2)c1=O)c1ccc2ccccc2c1[O-] ZINC000436585856 1099133585 /nfs/dbraw/zinc/13/35/85/1099133585.db2.gz RGZIPLXBCDSZBO-UHFFFAOYSA-N -1 1 370.408 4.008 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000436585839 1099133806 /nfs/dbraw/zinc/13/38/06/1099133806.db2.gz RCYVXJIMISNLOP-UHFFFAOYSA-N -1 1 360.438 4.395 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000436588578 1099135687 /nfs/dbraw/zinc/13/56/87/1099135687.db2.gz HYQBFYAHQISGIA-VBKZILBWSA-N -1 1 365.404 4.287 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(Sc3ccncc3)cc2)c([O-])c1 ZINC000436610561 1099144591 /nfs/dbraw/zinc/14/45/91/1099144591.db2.gz XJUQQDRGNDPATL-UHFFFAOYSA-N -1 1 352.415 4.199 20 0 FIADMM CCOC(=O)c1sc(/C=C/c2ccc([O-])c(Br)c2)nc1C ZINC000436611478 1099145803 /nfs/dbraw/zinc/14/58/03/1099145803.db2.gz KVFFMNGYJWKEER-FNORWQNLSA-N -1 1 368.252 4.267 20 0 FIADMM O=C(Nc1ccc(SCc2ccccc2)cn1)c1ccc(O)cc1[O-] ZINC000436631626 1099159543 /nfs/dbraw/zinc/15/95/43/1099159543.db2.gz WAVMCLMZYXADIE-UHFFFAOYSA-N -1 1 352.415 4.037 20 0 FIADMM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436632139 1099162598 /nfs/dbraw/zinc/16/25/98/1099162598.db2.gz YGUGFPZJZCCAQZ-KRWDZBQOSA-N -1 1 369.852 4.393 20 0 FIADMM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436638944 1099166236 /nfs/dbraw/zinc/16/62/36/1099166236.db2.gz AAEMRVJYEDYYSO-KRWDZBQOSA-N -1 1 359.425 4.365 20 0 FIADMM CCc1nc2ccc(Cl)cn2c1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436654192 1099179819 /nfs/dbraw/zinc/17/98/19/1099179819.db2.gz CTRNTIPCNGUBBH-UHFFFAOYSA-N -1 1 358.760 4.112 20 0 FIADMM C[C@@H]1CCCN(c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)ccn2)C1 ZINC000436657629 1099189702 /nfs/dbraw/zinc/18/97/02/1099189702.db2.gz MBSRCMSYWKUHET-GFCCVEGCSA-N -1 1 370.840 4.394 20 0 FIADMM COc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000436674371 1099205750 /nfs/dbraw/zinc/20/57/50/1099205750.db2.gz RQCMUHYNBVADGI-UHFFFAOYSA-N -1 1 371.607 4.265 20 0 FIADMM O=C(Nc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1)c1ccco1 ZINC000436688795 1099223020 /nfs/dbraw/zinc/22/30/20/1099223020.db2.gz MDQMWVPUZOQPED-UHFFFAOYSA-N -1 1 365.320 4.094 20 0 FIADMM O=C(Nc1cccc(COC2CCCCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000436688475 1099223403 /nfs/dbraw/zinc/22/34/03/1099223403.db2.gz OKKMDYIZFPOAAE-UHFFFAOYSA-N -1 1 353.418 4.063 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000436691325 1099226423 /nfs/dbraw/zinc/22/64/23/1099226423.db2.gz TZMZUSSSTDWSTA-HXUWFJFHSA-N -1 1 367.832 4.413 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@](F)(c2ccccc2F)C1 ZINC000436701126 1099234108 /nfs/dbraw/zinc/23/41/08/1099234108.db2.gz BXSOXMXYRRHUNF-OAQYLSRUSA-N -1 1 353.368 4.395 20 0 FIADMM O=C([O-])c1cc(CN2CCC(Oc3ccccc3Cl)CC2)cs1 ZINC000516187637 1099267559 /nfs/dbraw/zinc/26/75/59/1099267559.db2.gz HSDNOXOHQKWOKP-UHFFFAOYSA-N -1 1 351.855 4.143 20 0 FIADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436731521 1099270371 /nfs/dbraw/zinc/27/03/71/1099270371.db2.gz LSVVTTHGBFLKJY-ZCFIWIBFSA-N -1 1 350.749 4.012 20 0 FIADMM CN(C(=O)c1cc(Br)ccc1[O-])c1ccc(F)c(Cl)c1 ZINC000436758600 1099272904 /nfs/dbraw/zinc/27/29/04/1099272904.db2.gz ZDTWDOPALMJDFK-UHFFFAOYSA-N -1 1 358.594 4.224 20 0 FIADMM O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2ccccc2c1[O-] ZINC000436758783 1099273539 /nfs/dbraw/zinc/27/35/39/1099273539.db2.gz OTDZJHNMBHNZSQ-UHFFFAOYSA-N -1 1 360.413 4.034 20 0 FIADMM O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc2ccccc2c1[O-] ZINC000436760070 1099273955 /nfs/dbraw/zinc/27/39/55/1099273955.db2.gz LIAXTPNPVHAQBT-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436761906 1099277866 /nfs/dbraw/zinc/27/78/66/1099277866.db2.gz AZSXYSAMCQAPKH-NSHDSACASA-N -1 1 353.340 4.253 20 0 FIADMM CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)c3ccc([O-])cc3)sc2C1 ZINC000436764221 1099278840 /nfs/dbraw/zinc/27/88/40/1099278840.db2.gz KIFWJKPAXYJQIQ-CYBMUJFWSA-N -1 1 372.490 4.211 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC000436753927 1099287879 /nfs/dbraw/zinc/28/78/79/1099287879.db2.gz WOFYVHYSPCIMHC-UHFFFAOYSA-N -1 1 367.342 4.397 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000436754663 1099290212 /nfs/dbraw/zinc/29/02/12/1099290212.db2.gz JFWOVHMRMVBHIZ-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccco1)CC(F)(F)F ZINC000436816891 1099329233 /nfs/dbraw/zinc/32/92/33/1099329233.db2.gz GSGUAUCWLGSIIP-UHFFFAOYSA-N -1 1 367.245 4.209 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1noc(Cc2ccccc2)n1 ZINC000436807090 1099334268 /nfs/dbraw/zinc/33/42/68/1099334268.db2.gz HQAWNHKBZQRUMT-CQSZACIVSA-N -1 1 373.412 4.010 20 0 FIADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069651519 1099334282 /nfs/dbraw/zinc/33/42/82/1099334282.db2.gz IWPCVJVMNGLIJY-QFBILLFUSA-N -1 1 361.445 4.134 20 0 FIADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436821695 1099348933 /nfs/dbraw/zinc/34/89/33/1099348933.db2.gz XJZIOOMAXTWTNF-RAXLEYEMSA-N -1 1 360.251 4.330 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436859789 1099370281 /nfs/dbraw/zinc/37/02/81/1099370281.db2.gz LRGDSYLLCLTYQL-LJQANCHMSA-N -1 1 365.816 4.134 20 0 FIADMM O=C(c1ccc([O-])cc1F)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000436861313 1099371052 /nfs/dbraw/zinc/37/10/52/1099371052.db2.gz KLKOGELNIVVFIQ-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1cccs1)C[C@H]1CCCO1 ZINC000436870056 1099380053 /nfs/dbraw/zinc/38/00/53/1099380053.db2.gz NBABKMPTYCGJQE-QGZVFWFLSA-N -1 1 367.470 4.428 20 0 FIADMM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc([O-])cc1F ZINC000436873851 1099386370 /nfs/dbraw/zinc/38/63/70/1099386370.db2.gz YEPMIYZZWHFDPG-LLVKDONJSA-N -1 1 366.230 4.045 20 0 FIADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436895113 1099392734 /nfs/dbraw/zinc/39/27/34/1099392734.db2.gz VOSSJXMASGUKAF-WFASDCNBSA-N -1 1 360.251 4.173 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(CC)cc3O)n2)cc(Cl)c1[O-] ZINC000436876643 1099392772 /nfs/dbraw/zinc/39/27/72/1099392772.db2.gz JLZXPGJARQMLFR-UHFFFAOYSA-N -1 1 360.797 4.429 20 0 FIADMM CCCCOc1cc(OC)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436881645 1099398504 /nfs/dbraw/zinc/39/85/04/1099398504.db2.gz XSHVLJMUUULRFO-UHFFFAOYSA-N -1 1 358.369 4.436 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](c3ccccc3C)C(C)C)no2)c1 ZINC000436888944 1099405750 /nfs/dbraw/zinc/40/57/50/1099405750.db2.gz WEQORVYUJQNESG-IBGZPJMESA-N -1 1 365.433 4.497 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436912796 1099419577 /nfs/dbraw/zinc/41/95/77/1099419577.db2.gz IIBFFSMBWNEEIY-UHFFFAOYSA-N -1 1 356.813 4.206 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436912796 1099419581 /nfs/dbraw/zinc/41/95/81/1099419581.db2.gz IIBFFSMBWNEEIY-UHFFFAOYSA-N -1 1 356.813 4.206 20 0 FIADMM Cc1cc([C@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCO2)ccc1F ZINC000436914471 1099430787 /nfs/dbraw/zinc/43/07/87/1099430787.db2.gz JKRVAKFXIIWQFB-HXUWFJFHSA-N -1 1 365.404 4.207 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2cscc2-c2ccccc2)c1 ZINC000436917551 1099432798 /nfs/dbraw/zinc/43/27/98/1099432798.db2.gz ZSGBCBRWCQUSIO-UHFFFAOYSA-N -1 1 353.399 4.160 20 0 FIADMM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)C(=O)c1ccc([O-])cc1 ZINC000436971492 1099479902 /nfs/dbraw/zinc/47/99/02/1099479902.db2.gz KCSANSINGIUORJ-UHFFFAOYSA-N -1 1 368.392 4.429 20 0 FIADMM O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1ccc([O-])cc1F ZINC000437000964 1099521446 /nfs/dbraw/zinc/52/14/46/1099521446.db2.gz NGTDRVBUIUVPAO-UHFFFAOYSA-N -1 1 365.408 4.322 20 0 FIADMM Cc1cccc(COc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)c1 ZINC000437000930 1099522188 /nfs/dbraw/zinc/52/21/88/1099522188.db2.gz QCVALIYTTNNLKP-UHFFFAOYSA-N -1 1 361.397 4.101 20 0 FIADMM C[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1(C)C ZINC000516481598 1099527971 /nfs/dbraw/zinc/52/79/71/1099527971.db2.gz HFNRFQIMUUCZTO-HZMBPMFUSA-N -1 1 358.251 4.082 20 0 FIADMM Cc1cc(Br)c(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263098091 1099761893 /nfs/dbraw/zinc/76/18/93/1099761893.db2.gz VZPBZPYQXIUFRX-MNOVXSKESA-N -1 1 360.679 4.096 20 0 FIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c1 ZINC000437391855 1099862443 /nfs/dbraw/zinc/86/24/43/1099862443.db2.gz HEMNELNJOLIIRH-UHFFFAOYSA-N -1 1 355.463 4.011 20 0 FIADMM CCOc1cc(C(=O)NCCc2ccc(SC)cc2)cc(Cl)c1[O-] ZINC000437519606 1099965724 /nfs/dbraw/zinc/96/57/24/1099965724.db2.gz ZSSPJTRDEFSBJD-UHFFFAOYSA-N -1 1 365.882 4.139 20 0 FIADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(Oc2cccnc2)cc1 ZINC000517062566 1100029979 /nfs/dbraw/zinc/02/99/79/1100029979.db2.gz QZVJGWQWIPRZCM-GFCCVEGCSA-N -1 1 370.355 4.349 20 0 FIADMM COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000437612697 1100037181 /nfs/dbraw/zinc/03/71/81/1100037181.db2.gz VYBFJOHYTIRSFP-NSHDSACASA-N -1 1 368.355 4.110 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC)c2)cc1 ZINC000517197632 1100156453 /nfs/dbraw/zinc/15/64/53/1100156453.db2.gz SYSBAUOMCWCFBD-HNNXBMFYSA-N -1 1 374.506 4.093 20 0 FIADMM COc1cccc(C[C@@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000536688429 1100181932 /nfs/dbraw/zinc/18/19/32/1100181932.db2.gz XCIOFDHUZLVFBZ-IBGZPJMESA-N -1 1 361.441 4.401 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC000648614119 1100187250 /nfs/dbraw/zinc/18/72/50/1100187250.db2.gz VPOOLHVYYTXEFB-UHFFFAOYSA-N -1 1 359.853 4.236 20 0 FIADMM O=C(CCCC(=O)Nc1cccc(C(F)(F)F)c1[O-])Nc1ccccc1 ZINC001143564084 1100491140 /nfs/dbraw/zinc/49/11/40/1100491140.db2.gz RYQMCZSQZBXXFQ-UHFFFAOYSA-N -1 1 366.339 4.159 20 0 FIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc21 ZINC000425975270 1100574176 /nfs/dbraw/zinc/57/41/76/1100574176.db2.gz DKXIDKIOOCZEQS-UHFFFAOYSA-N -1 1 369.364 4.025 20 0 FIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc21 ZINC000425979568 1100604132 /nfs/dbraw/zinc/60/41/32/1100604132.db2.gz LCWMPDMJWXOKAA-UHFFFAOYSA-N -1 1 370.257 4.313 20 0 FIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000517924695 1100797917 /nfs/dbraw/zinc/79/79/17/1100797917.db2.gz DTLUUZGKRLSGLF-UHFFFAOYSA-N -1 1 373.478 4.097 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)cc(Cl)c1[O-] ZINC000438623451 1100808697 /nfs/dbraw/zinc/80/86/97/1100808697.db2.gz XDGNRUZNZRQSMK-NSHDSACASA-N -1 1 353.768 4.151 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)ccc1F ZINC000438709833 1100874215 /nfs/dbraw/zinc/87/42/15/1100874215.db2.gz BUEUFEOSLJWTQZ-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c(C)c1 ZINC000438726663 1100886352 /nfs/dbraw/zinc/88/63/52/1100886352.db2.gz SRKVPXXOYZVHDM-UHFFFAOYSA-N -1 1 354.431 4.292 20 0 FIADMM Cc1cscc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000439041282 1101101297 /nfs/dbraw/zinc/10/12/97/1101101297.db2.gz KVYZITRHMALLRP-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM Cc1nc(C2CCCC2)sc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000439118306 1101172924 /nfs/dbraw/zinc/17/29/24/1101172924.db2.gz LXOQECKZEHMMJS-UHFFFAOYSA-N -1 1 358.492 4.235 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1 ZINC000439263879 1101287507 /nfs/dbraw/zinc/28/75/07/1101287507.db2.gz ZTMUEAAVUXWDRL-UHFFFAOYSA-N -1 1 359.476 4.129 20 0 FIADMM CCC[C@@H]1CCc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2C1 ZINC000537246201 1101584016 /nfs/dbraw/zinc/58/40/16/1101584016.db2.gz CQWULEPORARIHG-SECBINFHSA-N -1 1 352.406 4.284 20 0 FIADMM COc1cc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)cc(Cl)c1[O-] ZINC000460123698 1101617695 /nfs/dbraw/zinc/61/76/95/1101617695.db2.gz GJUFRYZZHVTSNA-QGHHPUGFSA-N -1 1 363.816 4.247 20 0 FIADMM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000055315945 1101636996 /nfs/dbraw/zinc/63/69/96/1101636996.db2.gz ZOTZCXQWKJRTDZ-RTBURBONSA-N -1 1 355.478 4.052 20 0 FIADMM CC(C)c1nnc(-c2ccccc2NC(=O)c2cc(F)c([O-])c(Cl)c2)[nH]1 ZINC000184303527 1101653155 /nfs/dbraw/zinc/65/31/55/1101653155.db2.gz JINADGZMSWCTTC-UHFFFAOYSA-N -1 1 374.803 4.346 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccoc1 ZINC000506647287 1101671541 /nfs/dbraw/zinc/67/15/41/1101671541.db2.gz GIMLGNZXLZMQLF-UHFFFAOYSA-N -1 1 373.821 4.277 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc(Cl)c1[O-] ZINC000460184945 1101690239 /nfs/dbraw/zinc/69/02/39/1101690239.db2.gz IYQDNXIWQQTOGO-CQSZACIVSA-N -1 1 363.841 4.399 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1F)c1cc(Cl)ccc1C(F)(F)F ZINC000506653765 1101694161 /nfs/dbraw/zinc/69/41/61/1101694161.db2.gz MBDWORGBSMFHFM-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM CC(C)(NC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)c(F)c1 ZINC000557717092 1101742848 /nfs/dbraw/zinc/74/28/48/1101742848.db2.gz JKYHILVVUSUFRO-UHFFFAOYSA-N -1 1 370.193 4.098 20 0 FIADMM Cc1nc(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)[n-]c(=O)c1C ZINC000537416012 1101761481 /nfs/dbraw/zinc/76/14/81/1101761481.db2.gz FPEKXOOSHFMTEB-AWEZNQCLSA-N -1 1 365.886 4.208 20 0 FIADMM Cc1nc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)[n-]c(=O)c1C ZINC000537416442 1101763476 /nfs/dbraw/zinc/76/34/76/1101763476.db2.gz YZXZXGIDXGHINK-QGZVFWFLSA-N -1 1 365.458 4.271 20 0 FIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000024578646 1101860359 /nfs/dbraw/zinc/86/03/59/1101860359.db2.gz LOBAZZDVXWAAHF-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CCc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(CCC(C)C)c2C)n1 ZINC000428708808 1101912637 /nfs/dbraw/zinc/91/26/37/1101912637.db2.gz OEBXMUUFGSMQDG-UHFFFAOYSA-N -1 1 361.511 4.184 20 0 FIADMM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc(C(F)(F)F)cc1 ZINC000439984513 1101953429 /nfs/dbraw/zinc/95/34/29/1101953429.db2.gz BOCNKHUTFULEHK-UHFFFAOYSA-N -1 1 367.348 4.365 20 0 FIADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000475825761 1101988309 /nfs/dbraw/zinc/98/83/09/1101988309.db2.gz LUVOZHOUOFJVTR-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000519267056 1102048281 /nfs/dbraw/zinc/04/82/81/1102048281.db2.gz VROHXPDSZRWHEH-UHFFFAOYSA-N -1 1 366.870 4.024 20 0 FIADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897893384 1102145984 /nfs/dbraw/zinc/14/59/84/1102145984.db2.gz YLWOTSLLUMFTFP-CMPLNLGQSA-N -1 1 353.340 4.054 20 0 FIADMM COc1cccc(C(C)=C([O-])Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000519391465 1102163995 /nfs/dbraw/zinc/16/39/95/1102163995.db2.gz YLLZPLJWMBDKQY-NSHDSACASA-N -1 1 373.865 4.031 20 0 FIADMM Cc1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1C(=O)[O-] ZINC000666582585 1102301725 /nfs/dbraw/zinc/30/17/25/1102301725.db2.gz YAZFHCFRGYAGSC-UHFFFAOYSA-N -1 1 358.869 4.423 20 0 FIADMM CC(C)Cc1coc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000894434968 1102343035 /nfs/dbraw/zinc/34/30/35/1102343035.db2.gz YDQDLOOXBBCQDG-UHFFFAOYSA-N -1 1 353.753 4.254 20 0 FIADMM CC[C@H](c1nnc([N-]C(=O)c2ncoc2C2CC2)s1)c1ccccc1 ZINC000550809827 1102357636 /nfs/dbraw/zinc/35/76/36/1102357636.db2.gz IWJRTXPXESDDHE-ZDUSSCGKSA-N -1 1 354.435 4.198 20 0 FIADMM Cc1cccc(C)c1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043358488 1102679117 /nfs/dbraw/zinc/67/91/17/1102679117.db2.gz FVNADDINGGXSBK-UHFFFAOYSA-N -1 1 352.434 4.136 20 0 FIADMM O=C([O-])c1coc(CNCc2ccc(Oc3cc(F)cc(F)c3)cc2)c1 ZINC000426688090 1102920429 /nfs/dbraw/zinc/92/04/29/1102920429.db2.gz OEWIJDJGMPKCCJ-UHFFFAOYSA-N -1 1 359.328 4.338 20 0 FIADMM CC(C)(C)c1nc(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])cs1 ZINC000426724862 1102943192 /nfs/dbraw/zinc/94/31/92/1102943192.db2.gz WOHCFGKNQQUSBJ-AWEZNQCLSA-N -1 1 370.877 4.019 20 0 FIADMM Cc1ccc([C@H](NCc2ccc(Cl)cc2Br)C(=O)[O-])cc1 ZINC000426706195 1102944137 /nfs/dbraw/zinc/94/41/37/1102944137.db2.gz RVBXLRXYMVDYOC-HNNXBMFYSA-N -1 1 368.658 4.326 20 0 FIADMM Cc1ccc([C@@H](NCc2ccc(Br)cc2Cl)C(=O)[O-])cc1 ZINC000426708543 1102945026 /nfs/dbraw/zinc/94/50/26/1102945026.db2.gz KQPRIRWKZPQFTL-OAHLLOKOSA-N -1 1 368.658 4.326 20 0 FIADMM COc1ccccc1CN[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000426750922 1102967246 /nfs/dbraw/zinc/96/72/46/1102967246.db2.gz REPVTBHQACTVAG-OAHLLOKOSA-N -1 1 354.233 4.308 20 0 FIADMM COc1cc(-c2noc([C@@H]3CCC3(C)C)n2)cc(Br)c1[O-] ZINC000664850052 1102974318 /nfs/dbraw/zinc/97/43/18/1102974318.db2.gz JRTPLZXUYHGTES-VIFPVBQESA-N -1 1 353.216 4.117 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)cc1 ZINC000614856824 1102983002 /nfs/dbraw/zinc/98/30/02/1102983002.db2.gz LEPGAHZDPSDCLK-UHFFFAOYSA-N -1 1 371.462 4.107 20 0 FIADMM CC1(C)Cc2cccc(CN[C@H](CC(=O)[O-])c3cccc(Cl)c3)c2O1 ZINC000426796374 1102997226 /nfs/dbraw/zinc/99/72/26/1102997226.db2.gz BTQGFRSMAMFDMV-QGZVFWFLSA-N -1 1 359.853 4.359 20 0 FIADMM CCc1ccc([C@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])cc1 ZINC000426809982 1103005492 /nfs/dbraw/zinc/00/54/92/1103005492.db2.gz HHHHDCRLURKORZ-NRFANRHFSA-N -1 1 364.420 4.366 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(Cl)sc1Cl ZINC000105390004 1103027021 /nfs/dbraw/zinc/02/70/21/1103027021.db2.gz AIRQDLZOPYWCSS-UHFFFAOYSA-N -1 1 362.181 4.273 20 0 FIADMM O=S(=O)([N-]c1ccccc1Cl)c1cccc(OC(F)(F)F)c1F ZINC000427117668 1103272194 /nfs/dbraw/zinc/27/21/94/1103272194.db2.gz ODFDQPUPADRJLZ-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2cccs2)cc(Cl)c1[O-] ZINC000192722307 1103299223 /nfs/dbraw/zinc/29/92/23/1103299223.db2.gz RMOJDLLKJNMORX-CYBMUJFWSA-N -1 1 351.855 4.483 20 0 FIADMM Cc1oc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1C(=O)[O-] ZINC000519599897 1103310379 /nfs/dbraw/zinc/31/03/79/1103310379.db2.gz DYDPUKAOFIFCCY-SNVBAGLBSA-N -1 1 374.384 4.141 20 0 FIADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427221210 1103347018 /nfs/dbraw/zinc/34/70/18/1103347018.db2.gz YTMGALWLBUJGOP-NSHDSACASA-N -1 1 362.476 4.113 20 0 FIADMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000507504311 1103446227 /nfs/dbraw/zinc/44/62/27/1103446227.db2.gz IULJDNPPSLDPHI-MNOVXSKESA-N -1 1 366.346 4.004 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1 ZINC000427351224 1103473907 /nfs/dbraw/zinc/47/39/07/1103473907.db2.gz YKEDZGUPIFEVSI-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3ncccc3[O-])cc2c1 ZINC000427459367 1103558070 /nfs/dbraw/zinc/55/80/70/1103558070.db2.gz MMLIXGNWBPCTFW-UHFFFAOYSA-N -1 1 362.385 4.277 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3CCCN3Cc3ccc(F)cc3)n2)c(F)c1 ZINC000445454561 1103899415 /nfs/dbraw/zinc/89/94/15/1103899415.db2.gz LVRLOABCSAAROA-QGZVFWFLSA-N -1 1 357.360 4.058 20 0 FIADMM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000440779211 1103942876 /nfs/dbraw/zinc/94/28/76/1103942876.db2.gz CSEAYJSHCQMJIG-VIFPVBQESA-N -1 1 370.630 4.214 20 0 FIADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)c(OCc2ccccc2)c1 ZINC000188666821 1104738243 /nfs/dbraw/zinc/73/82/43/1104738243.db2.gz GOFWWGGOYPPZOF-UHFFFAOYSA-N -1 1 367.376 4.371 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)sc1Br ZINC000189739801 1104840835 /nfs/dbraw/zinc/84/08/35/1104840835.db2.gz RLIRDDLKHJJLSO-UHFFFAOYSA-N -1 1 372.718 4.335 20 0 FIADMM CC(C)Cn1cc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000417564737 1104982709 /nfs/dbraw/zinc/98/27/09/1104982709.db2.gz PBCPESTVDBATDD-INIZCTEOSA-N -1 1 370.280 4.152 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H](NCc2c(Cl)cccc2N2CCCC2)c2ccccc21 ZINC000417635443 1105038571 /nfs/dbraw/zinc/03/85/71/1105038571.db2.gz WPFFAPXVHZEHFF-VQIMIIECSA-N -1 1 370.880 4.343 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1[N+](=O)[O-] ZINC000007052050 1105093208 /nfs/dbraw/zinc/09/32/08/1105093208.db2.gz YYHNCSORLWPPAK-UHFFFAOYSA-N -1 1 374.390 4.019 20 0 FIADMM COc1ccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c([O-])c1 ZINC000320544522 1105121096 /nfs/dbraw/zinc/12/10/96/1105121096.db2.gz DTJRHEHNMSQQAF-UHFFFAOYSA-N -1 1 351.189 4.348 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1 ZINC000508008388 1105294596 /nfs/dbraw/zinc/29/45/96/1105294596.db2.gz DLUWIJZARBXAEE-UHFFFAOYSA-N -1 1 374.487 4.085 20 0 FIADMM COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2ncccc2[O-])c1 ZINC000427918242 1105313983 /nfs/dbraw/zinc/31/39/83/1105313983.db2.gz UVEOEOWUKMZVLY-UGKGYDQZSA-N -1 1 374.440 4.167 20 0 FIADMM O=S(=O)([N-][C@H](c1cccc2ccccc21)C(F)(F)F)c1ccoc1 ZINC000508204095 1105357730 /nfs/dbraw/zinc/35/77/30/1105357730.db2.gz JUZLPIOZZOEZSM-OAHLLOKOSA-N -1 1 355.337 4.015 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3ccco3)cc2F)c1 ZINC000428081142 1105359446 /nfs/dbraw/zinc/35/94/46/1105359446.db2.gz SXVUJWUARVLYCF-UHFFFAOYSA-N -1 1 354.337 4.002 20 0 FIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530145989 1106859375 /nfs/dbraw/zinc/85/93/75/1106859375.db2.gz XDQINUGULQGMCB-UHFFFAOYSA-N -1 1 367.902 4.024 20 0 FIADMM Cc1cc(Br)c(CN(C[C@@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000530167084 1106871997 /nfs/dbraw/zinc/87/19/97/1106871997.db2.gz XWUJKSXUQLZPGD-SNVBAGLBSA-N -1 1 360.679 4.096 20 0 FIADMM Cc1ccc(Nc2nc(CN3[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]3C)cs2)cc1 ZINC000530173126 1106902237 /nfs/dbraw/zinc/90/22/37/1106902237.db2.gz CRROXYSMPLYWAZ-QDMKHBRRSA-N -1 1 359.495 4.269 20 0 FIADMM Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444354095 1106905698 /nfs/dbraw/zinc/90/56/98/1106905698.db2.gz SYRHCYDLNUDSKN-UHFFFAOYSA-N -1 1 370.424 4.155 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000530320234 1106963553 /nfs/dbraw/zinc/96/35/53/1106963553.db2.gz IEBDLWFBHJNHTO-ZDUSSCGKSA-N -1 1 363.816 4.213 20 0 FIADMM CC[C@H](CN(C)C(=O)c1cncc([O-])c1)Oc1ccc(Cl)c(Cl)c1 ZINC000530461370 1107055964 /nfs/dbraw/zinc/05/59/64/1107055964.db2.gz GOZVCJDNWOHSKG-CYBMUJFWSA-N -1 1 369.248 4.024 20 0 FIADMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCO1 ZINC000451371790 1107066476 /nfs/dbraw/zinc/06/64/76/1107066476.db2.gz FIGASZURBVMPIF-YPMHNXCESA-N -1 1 373.927 4.037 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](c4ccccc4)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301599977 1107084415 /nfs/dbraw/zinc/08/44/15/1107084415.db2.gz YRIDZFKRZQCWLW-APWZRJJASA-N -1 1 360.461 4.243 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](C)C[C@H]3c3ccco3)nc2)[n-]c(=O)c1C ZINC000302041012 1107270918 /nfs/dbraw/zinc/27/09/18/1107270918.db2.gz NNPIPARNUKNTSC-DYVFJYSZSA-N -1 1 364.449 4.432 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](C)C[C@@H]3c3ccco3)nc2)[n-]c(=O)c1C ZINC000302041016 1107271735 /nfs/dbraw/zinc/27/17/35/1107271735.db2.gz NNPIPARNUKNTSC-SUMWQHHRSA-N -1 1 364.449 4.432 20 0 FIADMM OC[C@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)c1ccsc1 ZINC000302294275 1107354337 /nfs/dbraw/zinc/35/43/37/1107354337.db2.gz XGXDBSZFTIKFII-LBPRGKRZSA-N -1 1 356.234 4.250 20 0 FIADMM O=C(CCc1ccsc1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444396456 1107541464 /nfs/dbraw/zinc/54/14/64/1107541464.db2.gz YJSQQBUUWVOZET-UHFFFAOYSA-N -1 1 372.490 4.088 20 0 FIADMM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc2ccccc2o1 ZINC000531248005 1107695406 /nfs/dbraw/zinc/69/54/06/1107695406.db2.gz DQIRIJLUXNFOBH-SMDDNHRTSA-N -1 1 365.813 4.060 20 0 FIADMM Cc1cc(-c2ccccc2)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000614788086 1107779270 /nfs/dbraw/zinc/77/92/70/1107779270.db2.gz UKJDRXHXCCECPG-UHFFFAOYSA-N -1 1 373.455 4.223 20 0 FIADMM COc1ccc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC000444461603 1107928829 /nfs/dbraw/zinc/92/88/29/1107928829.db2.gz BFHKBFDNVRLVGQ-UHFFFAOYSA-N -1 1 363.413 4.256 20 0 FIADMM O=C(COc1ccccc1OCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000531755999 1108122926 /nfs/dbraw/zinc/12/29/26/1108122926.db2.gz APBBPPAZHCOQBJ-UHFFFAOYSA-N -1 1 367.376 4.128 20 0 FIADMM O=C(c1cncc([O-])c1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000531936796 1108409703 /nfs/dbraw/zinc/40/97/03/1108409703.db2.gz VRPIPWKHUMUDFX-UHFFFAOYSA-N -1 1 363.244 4.414 20 0 FIADMM CCN(Cc1cccs1)C(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000143796539 1108511035 /nfs/dbraw/zinc/51/10/35/1108511035.db2.gz PSTGXKKTSDJTRK-UHFFFAOYSA-N -1 1 372.519 4.026 20 0 FIADMM COc1cc(-c2noc(C3CCCCC3)n2)cc(Br)c1[O-] ZINC000445388495 1108705135 /nfs/dbraw/zinc/70/51/35/1108705135.db2.gz COTWYOATCAXZEL-UHFFFAOYSA-N -1 1 353.216 4.261 20 0 FIADMM COc1cc(-c2noc([C@@H](C)C(C)(C)C)n2)cc(Br)c1[O-] ZINC000445389967 1108707121 /nfs/dbraw/zinc/70/71/21/1108707121.db2.gz GCVHEIUTTLUGCC-MRVPVSSYSA-N -1 1 355.232 4.363 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(Cl)cn3C)n2)cc(Cl)c1[O-] ZINC000445412602 1108722606 /nfs/dbraw/zinc/72/26/06/1108722606.db2.gz UBZWAMWWGOZQIX-UHFFFAOYSA-N -1 1 354.193 4.153 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H](C)c3cccnc3)n2)cc(Cl)c1[O-] ZINC000445413813 1108723987 /nfs/dbraw/zinc/72/39/87/1108723987.db2.gz UDSIERPICFUJJH-LLVKDONJSA-N -1 1 359.813 4.236 20 0 FIADMM COc1cc(-c2noc(C[C@@H](C)C(C)C)n2)cc(Br)c1[O-] ZINC000445400808 1108726973 /nfs/dbraw/zinc/72/69/73/1108726973.db2.gz GKTSHPPPOCTBEP-SECBINFHSA-N -1 1 355.232 4.048 20 0 FIADMM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(F)cc1[O-] ZINC000532267242 1108737423 /nfs/dbraw/zinc/73/74/23/1108737423.db2.gz OQMSCCNCJOHYRT-UHFFFAOYSA-N -1 1 360.772 4.411 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3ccc(C)nc3)n2)cc(Cl)c1[O-] ZINC000445426982 1108738571 /nfs/dbraw/zinc/73/85/71/1108738571.db2.gz MSZHZTWZSXWJHH-VOTSOKGWSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc([C@H](C)Oc3cccnc3)n2)cc(Cl)c1[O-] ZINC000445431129 1108742114 /nfs/dbraw/zinc/74/21/14/1108742114.db2.gz MTOARAMYFQVTED-JTQLQIEISA-N -1 1 361.785 4.029 20 0 FIADMM Cc1nc2c(cnn2C(C)C)cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448572 1108749785 /nfs/dbraw/zinc/74/97/85/1108749785.db2.gz WIAUPKXQCAVPAB-UHFFFAOYSA-N -1 1 369.812 4.397 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3COc4ccc(Cl)cc4C3)n2)c(Cl)c1 ZINC000445451487 1108754972 /nfs/dbraw/zinc/75/49/72/1108754972.db2.gz GGCZWQFXHQENBC-SNVBAGLBSA-N -1 1 363.200 4.468 20 0 FIADMM CC(=O)c1cccc(OCCCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445452703 1108757618 /nfs/dbraw/zinc/75/76/18/1108757618.db2.gz SYFQHVFTDZIUMD-UHFFFAOYSA-N -1 1 372.808 4.310 20 0 FIADMM C[C@H](NC(=O)CC1CCCCC1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443247 1108768174 /nfs/dbraw/zinc/76/81/74/1108768174.db2.gz FXEQRDAAUCDKQJ-NSHDSACASA-N -1 1 363.845 4.243 20 0 FIADMM CC(=O)Nc1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445445199 1108770442 /nfs/dbraw/zinc/77/04/42/1108770442.db2.gz IGIKMMFHXZGMQN-RUDMXATFSA-N -1 1 355.781 4.224 20 0 FIADMM C[C@H]1Sc2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2NC1=O ZINC000445453701 1108785697 /nfs/dbraw/zinc/78/56/97/1108785697.db2.gz JFBRLDNCFUOAJD-MRVPVSSYSA-N -1 1 373.821 4.195 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4ccccc4)n3)n2)c(F)c1 ZINC000445455945 1108789924 /nfs/dbraw/zinc/78/99/24/1108789924.db2.gz MEOMASLJVRUBPS-UHFFFAOYSA-N -1 1 353.378 4.296 20 0 FIADMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc(OC)c1C(C)C ZINC000445462288 1108796068 /nfs/dbraw/zinc/79/60/68/1108796068.db2.gz KJCCTEOWZXQTDF-UHFFFAOYSA-N -1 1 358.369 4.389 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnn(Cc4ccccc4Cl)c3)n2)cc1F ZINC000445477842 1108796913 /nfs/dbraw/zinc/79/69/13/1108796913.db2.gz DWJDCWJEKIBPEP-UHFFFAOYSA-N -1 1 370.771 4.147 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1-c1ccccc1Cl ZINC000445478527 1108797978 /nfs/dbraw/zinc/79/79/78/1108797978.db2.gz RTGWIQIYYOCKMH-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCc4ccccc4)nc3)n2)cc1F ZINC000445478041 1108798201 /nfs/dbraw/zinc/79/82/01/1108798201.db2.gz PKPMKIBXHCAAGI-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CC(C)(C)C(=O)Nc1ccc(F)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445480376 1108800728 /nfs/dbraw/zinc/80/07/28/1108800728.db2.gz IOIYMSRCCFIQII-UHFFFAOYSA-N -1 1 373.359 4.372 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(F)c(F)cc3Br)n2)cc1F ZINC000445485368 1108805630 /nfs/dbraw/zinc/80/56/30/1108805630.db2.gz ZUTUUHRUNUQZFX-UHFFFAOYSA-N -1 1 371.112 4.289 20 0 FIADMM CC(=O)c1ccc(SCc2nc(-c3ccc([O-])c(F)c3)no2)cc1F ZINC000445476328 1108815735 /nfs/dbraw/zinc/81/57/35/1108815735.db2.gz BFSHIWRVUOEKKO-UHFFFAOYSA-N -1 1 362.357 4.215 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000016129405 1108910736 /nfs/dbraw/zinc/91/07/36/1108910736.db2.gz DKUVEVWRWYXEOT-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C(F)(F)F ZINC000525016841 1109232427 /nfs/dbraw/zinc/23/24/27/1109232427.db2.gz UYNFXQAIFRWHQZ-UHFFFAOYSA-N -1 1 369.286 4.232 20 0 FIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1C ZINC000446962479 1109400011 /nfs/dbraw/zinc/40/00/11/1109400011.db2.gz MGJCCPPRAXKTFN-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000525528224 1109412733 /nfs/dbraw/zinc/41/27/33/1109412733.db2.gz FZGKESLHGUDBKJ-UHFFFAOYSA-N -1 1 369.286 4.010 20 0 FIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc2ncccc2c1 ZINC000525535193 1109414619 /nfs/dbraw/zinc/41/46/19/1109414619.db2.gz LAEGTWVTMBGORJ-UHFFFAOYSA-N -1 1 365.414 4.054 20 0 FIADMM O=c1[n-]c(Sc2c(F)cc(F)cc2F)nc2c1cnn2-c1ccccc1 ZINC000525706705 1109487526 /nfs/dbraw/zinc/48/75/26/1109487526.db2.gz KFGYUMQFGYKLRL-UHFFFAOYSA-N -1 1 374.347 4.090 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000525770658 1109513069 /nfs/dbraw/zinc/51/30/69/1109513069.db2.gz YDMFAONXVULNFL-UHFFFAOYSA-N -1 1 351.874 4.247 20 0 FIADMM C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc4ccccc4c3[O-])cccc21 ZINC000447726571 1109626779 /nfs/dbraw/zinc/62/67/79/1109626779.db2.gz HIBJLWZGIFKYNC-IBGZPJMESA-N -1 1 362.429 4.183 20 0 FIADMM COc1cc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)cc(Cl)c1[O-] ZINC000527489158 1109767573 /nfs/dbraw/zinc/76/75/73/1109767573.db2.gz OHZKHKVVQIJRJC-UHFFFAOYSA-N -1 1 373.796 4.098 20 0 FIADMM CCC[C@H](OCC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000528168626 1109930467 /nfs/dbraw/zinc/93/04/67/1109930467.db2.gz HRNHBJCQUDQLGY-NSHDSACASA-N -1 1 371.231 4.091 20 0 FIADMM CCOc1cc(-c2noc([C@H]3[C@@H](C)[C@H](C)O[C@H]3C)n2)cc(Cl)c1[O-] ZINC000528169199 1109930776 /nfs/dbraw/zinc/93/07/76/1109930776.db2.gz SHYLSBAMJUHYAZ-QSDJMHMYSA-N -1 1 352.818 4.021 20 0 FIADMM O=C(CCCc1nc(C2CC2)no1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538705 1110284262 /nfs/dbraw/zinc/28/42/62/1110284262.db2.gz KDZAHGLFHPGXKQ-UHFFFAOYSA-N -1 1 371.824 4.421 20 0 FIADMM COc1ccc(-c2nc(Cc3c(Cl)cccc3Cl)no2)c([O-])c1 ZINC000389995793 1110312836 /nfs/dbraw/zinc/31/28/36/1110312836.db2.gz GTIFELGRSZYFSU-UHFFFAOYSA-N -1 1 351.189 4.348 20 0 FIADMM CCOc1cc(C(=O)N[C@@H](c2ccccn2)C2CCC2)cc(Cl)c1[O-] ZINC000529825960 1110321163 /nfs/dbraw/zinc/32/11/63/1110321163.db2.gz SUQZJZVQSNRDFR-QGZVFWFLSA-N -1 1 360.841 4.111 20 0 FIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(Cl)cc1C(C)C ZINC000529853257 1110327894 /nfs/dbraw/zinc/32/78/94/1110327894.db2.gz VIBXMQHXWOXPAB-UHFFFAOYSA-N -1 1 372.856 4.010 20 0 FIADMM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000538318276 1111088960 /nfs/dbraw/zinc/08/89/60/1111088960.db2.gz ZGZRNTPXBJKXDF-CYBMUJFWSA-N -1 1 363.404 4.209 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(C(F)(F)F)s1 ZINC000461338815 1111176178 /nfs/dbraw/zinc/17/61/78/1111176178.db2.gz ICUBCKCHSHZSGW-UHFFFAOYSA-N -1 1 359.753 4.360 20 0 FIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461429435 1111210287 /nfs/dbraw/zinc/21/02/87/1111210287.db2.gz VJMIWHSCBSBSAR-MRXNPFEDSA-N -1 1 374.506 4.138 20 0 FIADMM COc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000552022088 1111232184 /nfs/dbraw/zinc/23/21/84/1111232184.db2.gz UODBNAHDQKGAMY-UHFFFAOYSA-N -1 1 356.603 4.069 20 0 FIADMM CCSc1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000629491352 1111310637 /nfs/dbraw/zinc/31/06/37/1111310637.db2.gz QREMGGXXEFQCFB-BXUZGUMPSA-N -1 1 372.328 4.104 20 0 FIADMM O=c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)[nH]c2ccsc21 ZINC000461750013 1111340091 /nfs/dbraw/zinc/34/00/91/1111340091.db2.gz VIZKEAAGVFNPJI-UHFFFAOYSA-N -1 1 351.416 4.064 20 0 FIADMM COc1ccc(/C=C/c2ccc(Oc3nc4c(cnn4C)c(=O)[n-]3)cc2)cc1 ZINC000461883251 1111396962 /nfs/dbraw/zinc/39/69/62/1111396962.db2.gz AAICQLOQQJZYAS-ONEGZZNKSA-N -1 1 374.400 4.040 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)c2)o1 ZINC000539117676 1111439008 /nfs/dbraw/zinc/43/90/08/1111439008.db2.gz ZAQFYVBFDYFQQP-UHFFFAOYSA-N -1 1 372.446 4.238 20 0 FIADMM O=C(NCCCSc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000479040880 1111937109 /nfs/dbraw/zinc/93/71/09/1111937109.db2.gz ODFGNQANLWKJHY-UHFFFAOYSA-N -1 1 366.280 4.067 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4ncsc4c3)c2)o1 ZINC000479481854 1112039154 /nfs/dbraw/zinc/03/91/54/1112039154.db2.gz ICXNGGQHXCPBLD-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM O=C(Nc1ccc2nc(C(F)F)sc2c1)c1c(F)ccc([O-])c1F ZINC000553655613 1112039793 /nfs/dbraw/zinc/03/97/93/1112039793.db2.gz WKTXBDOLQDXAGJ-UHFFFAOYSA-N -1 1 356.300 4.470 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000554008447 1112156009 /nfs/dbraw/zinc/15/60/09/1112156009.db2.gz PTUGSVPZYDJDCA-UHFFFAOYSA-N -1 1 362.470 4.315 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898418657 1112231569 /nfs/dbraw/zinc/23/15/69/1112231569.db2.gz WICYRSWNSHAVLN-HXUWFJFHSA-N -1 1 360.413 4.013 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(CC(F)(F)F)cc1 ZINC000480227636 1112339157 /nfs/dbraw/zinc/33/91/57/1112339157.db2.gz ITKVWRGMBAMHKB-UHFFFAOYSA-N -1 1 355.381 4.081 20 0 FIADMM O=C(c1ncccc1[O-])N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000480390072 1112410555 /nfs/dbraw/zinc/41/05/55/1112410555.db2.gz DLSITCHKZIKPRH-UHFFFAOYSA-N -1 1 365.260 4.189 20 0 FIADMM O=C(c1ncccc1[O-])N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000555104109 1112670118 /nfs/dbraw/zinc/67/01/18/1112670118.db2.gz UJYVEGRXAIRGQY-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)c2cccnc12 ZINC000555444641 1112854732 /nfs/dbraw/zinc/85/47/32/1112854732.db2.gz ONXBRNQFPZIOLL-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1=CCCCCC1 ZINC000481370116 1112917896 /nfs/dbraw/zinc/91/78/96/1112917896.db2.gz JLGUBLQJNYKNAN-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM Cc1nc(C(C)C)oc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000555952002 1113083091 /nfs/dbraw/zinc/08/30/91/1113083091.db2.gz KEKOBKZXPUFNHE-UHFFFAOYSA-N -1 1 360.464 4.361 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc(Cl)c1[O-] ZINC000481986571 1113145074 /nfs/dbraw/zinc/14/50/74/1113145074.db2.gz TYQGLRHQQIZOOA-MWLCHTKSSA-N -1 1 365.779 4.247 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481978491 1113147042 /nfs/dbraw/zinc/14/70/42/1113147042.db2.gz HPIOZGYAJVFHDM-UHFFFAOYSA-N -1 1 353.390 4.005 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Oc2ccccc2F)c1 ZINC000482539514 1113291044 /nfs/dbraw/zinc/29/10/44/1113291044.db2.gz WMLARGIRDFBLFX-JTQLQIEISA-N -1 1 368.202 4.008 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCNc2ccccc2C)c1 ZINC000482576802 1113301541 /nfs/dbraw/zinc/30/15/41/1113301541.db2.gz KBQGNBWUGJNIPJ-UHFFFAOYSA-N -1 1 363.255 4.212 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccccc2Cl)c1 ZINC000482635459 1113320681 /nfs/dbraw/zinc/32/06/81/1113320681.db2.gz HFJLJAUKIDCEEF-UHFFFAOYSA-N -1 1 370.630 4.134 20 0 FIADMM CCCC(O)(CCC)CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482659534 1113325608 /nfs/dbraw/zinc/32/56/08/1113325608.db2.gz PEDFSFPJBWEDOM-UHFFFAOYSA-N -1 1 358.276 4.123 20 0 FIADMM CCCCn1ncc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1C(C)C ZINC000482739055 1113346458 /nfs/dbraw/zinc/34/64/58/1113346458.db2.gz FWXGTEJBMBVHFZ-UHFFFAOYSA-N -1 1 373.501 4.160 20 0 FIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1)C1CCC1 ZINC000486110144 1113507143 /nfs/dbraw/zinc/50/71/43/1113507143.db2.gz PALKDTRITHVNMV-UHFFFAOYSA-N -1 1 372.471 4.080 20 0 FIADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000907314416 1113533936 /nfs/dbraw/zinc/53/39/36/1113533936.db2.gz MLYNWUCHNKEBNO-KVPUOBJLSA-N -1 1 369.490 4.219 20 0 FIADMM CSc1cc2c(cc1NC(=O)Nc1ccc([O-])c(Cl)c1)OCCO2 ZINC000486926641 1113678125 /nfs/dbraw/zinc/67/81/25/1113678125.db2.gz IZWXPBIAPIIINU-UHFFFAOYSA-N -1 1 366.826 4.183 20 0 FIADMM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc([O-])c1Br ZINC000908710860 1113687601 /nfs/dbraw/zinc/68/76/01/1113687601.db2.gz UVUNCNXWZYTWSO-UHFFFAOYSA-N -1 1 366.259 4.273 20 0 FIADMM CCCc1nc(C)c(C(=O)Nc2cccc([O-])c2Br)s1 ZINC000908715228 1113688079 /nfs/dbraw/zinc/68/80/79/1113688079.db2.gz RUFSOOUXEDFGGS-UHFFFAOYSA-N -1 1 355.257 4.124 20 0 FIADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000489598006 1114141302 /nfs/dbraw/zinc/14/13/02/1114141302.db2.gz QSXJILOZHBULPM-HIFRSBDPSA-N -1 1 374.278 4.481 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1F ZINC000032551270 1114309255 /nfs/dbraw/zinc/30/92/55/1114309255.db2.gz CBZAFDJTELLQOT-SSDOTTSWSA-N -1 1 354.255 4.234 20 0 FIADMM C[C@]12CCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C[C@H]1C2(F)F ZINC000571941407 1114560439 /nfs/dbraw/zinc/56/04/39/1114560439.db2.gz JUZWCZQQNZYKKI-BZPMIXESSA-N -1 1 350.192 4.096 20 0 FIADMM O=S(=O)([N-]C12CCC(C(F)(F)F)(CC1)CC2)c1cc2ccccc2o1 ZINC000572265121 1114631571 /nfs/dbraw/zinc/63/15/71/1114631571.db2.gz HYAPMKUIPGGBCM-UHFFFAOYSA-N -1 1 373.396 4.366 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)ccc1C ZINC000588836235 1114655450 /nfs/dbraw/zinc/65/54/50/1114655450.db2.gz ULWYJRYXLQGEFW-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1N1CCCCC1)c1ccc2c(c1)CCC2 ZINC000588909395 1114679894 /nfs/dbraw/zinc/67/98/94/1114679894.db2.gz ZUKCOJJGDOOYFQ-UHFFFAOYSA-N -1 1 374.481 4.106 20 0 FIADMM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590610495 1114953091 /nfs/dbraw/zinc/95/30/91/1114953091.db2.gz VELUSXPEOGMRLW-CMPLNLGQSA-N -1 1 366.346 4.148 20 0 FIADMM O=c1nc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)[n-]c2ccsc21 ZINC000590925793 1114992967 /nfs/dbraw/zinc/99/29/67/1114992967.db2.gz MGKCWQHGYJDZQA-AWEZNQCLSA-N -1 1 364.474 4.258 20 0 FIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@@H]1c1ccsc1 ZINC000058205816 1115139605 /nfs/dbraw/zinc/13/96/05/1115139605.db2.gz XCHFEHRRMMHSFF-CQSZACIVSA-N -1 1 362.549 4.449 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3ccncc32)ccc1C(F)(F)F ZINC000573615744 1115148016 /nfs/dbraw/zinc/14/80/16/1115148016.db2.gz LYVZYRLYXJAJKD-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(C)=O)cc1 ZINC000592009004 1115188356 /nfs/dbraw/zinc/18/83/56/1115188356.db2.gz GNLULDHZPOSYBJ-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)ccc2o1 ZINC000592002916 1115191667 /nfs/dbraw/zinc/19/16/67/1115191667.db2.gz CHBXOWZWAJFPQV-GFCCVEGCSA-N -1 1 372.446 4.075 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(C3CCCC3)s2)cc1 ZINC000669470397 1115282303 /nfs/dbraw/zinc/28/23/03/1115282303.db2.gz AESVAOUYUMQIJU-KRWDZBQOSA-N -1 1 360.479 4.115 20 0 FIADMM CC(C)[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1F ZINC000574202204 1115294410 /nfs/dbraw/zinc/29/44/10/1115294410.db2.gz FHHVOVQJKQUDEB-CYBMUJFWSA-N -1 1 371.384 4.014 20 0 FIADMM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000574212519 1115294848 /nfs/dbraw/zinc/29/48/48/1115294848.db2.gz AEYQFCDYVXVRSW-UHFFFAOYSA-N -1 1 355.482 4.298 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2cc3cccc(CC)c3o2)[n-]c1=O ZINC000594697423 1115479903 /nfs/dbraw/zinc/47/99/03/1115479903.db2.gz VSRDUEYYGKOUJZ-XFXZXTDPSA-N -1 1 352.390 4.228 20 0 FIADMM CCc1cc2c(CNc3cccc([C@H](C)OC)c3)cc(=O)oc2cc1[O-] ZINC000171091058 1115833098 /nfs/dbraw/zinc/83/30/98/1115833098.db2.gz ZWAOVLGTIUOGBR-ZDUSSCGKSA-N -1 1 353.418 4.381 20 0 FIADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000171598382 1115872299 /nfs/dbraw/zinc/87/22/99/1115872299.db2.gz IRCJSHMSBMYYEF-CHWSQXEVSA-N -1 1 364.540 4.000 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)cc1 ZINC000171598433 1115872501 /nfs/dbraw/zinc/87/25/01/1115872501.db2.gz ZVRSGSCZUNHCGC-IAGOWNOFSA-N -1 1 372.538 4.247 20 0 FIADMM Cc1nc2cc(C(=O)Nc3c([O-])cccc3F)ccc2n1-c1ccccc1 ZINC000605439350 1115895177 /nfs/dbraw/zinc/89/51/77/1115895177.db2.gz HHQGRFNLLQYTLU-UHFFFAOYSA-N -1 1 361.376 4.431 20 0 FIADMM Cc1ccc(O[C@@H](C)C(=O)Nc2c([O-])cccc2F)c(Br)c1 ZINC000605440142 1115895779 /nfs/dbraw/zinc/89/57/79/1115895779.db2.gz LHUFQYKGHSRYOF-JTQLQIEISA-N -1 1 368.202 4.008 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(CC)cccc2CC)c1 ZINC000605494438 1115904220 /nfs/dbraw/zinc/90/42/20/1115904220.db2.gz QRMVMCQOYDEMRL-UHFFFAOYSA-N -1 1 374.506 4.269 20 0 FIADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000605496440 1115904430 /nfs/dbraw/zinc/90/44/30/1115904430.db2.gz QAAJFUMAOOZHQI-UHFFFAOYSA-N -1 1 374.506 4.207 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000606229677 1115930852 /nfs/dbraw/zinc/93/08/52/1115930852.db2.gz DMWCZSUKPDRGMZ-KRWDZBQOSA-N -1 1 363.417 4.173 20 0 FIADMM O=S(=O)([N-]c1ccc(COC2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000606828336 1115974126 /nfs/dbraw/zinc/97/41/26/1115974126.db2.gz NUNAVYWMANFTQD-UHFFFAOYSA-N -1 1 367.417 4.225 20 0 FIADMM Cc1csc(-c2cccc(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)c2)n1 ZINC000606930730 1115985230 /nfs/dbraw/zinc/98/52/30/1115985230.db2.gz LIHSJFWXCPFADP-UHFFFAOYSA-N -1 1 366.471 4.244 20 0 FIADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000172965475 1116011719 /nfs/dbraw/zinc/01/17/19/1116011719.db2.gz IUKDFZDMCLWRJC-GUYCJALGSA-N -1 1 369.469 4.182 20 0 FIADMM C[C@@H]1C[C@H](c2ccccc2F)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000173380806 1116059486 /nfs/dbraw/zinc/05/94/86/1116059486.db2.gz ISEQSNOMGXMCJX-CXAGYDPISA-N -1 1 369.469 4.182 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc([C@H]4C[C@@H]4C)o3)nc2)[n-]c(=O)c1C ZINC000608080244 1116081090 /nfs/dbraw/zinc/08/10/90/1116081090.db2.gz YUZHYRGDFUWPFW-ZBEGNZNMSA-N -1 1 350.422 4.190 20 0 FIADMM COc1cc(C(=O)Nc2c([O-])cccc2F)cc(Cl)c1OCC(C)C ZINC000608366863 1116102683 /nfs/dbraw/zinc/10/26/83/1116102683.db2.gz AECUERQNADPVLD-UHFFFAOYSA-N -1 1 367.804 4.480 20 0 FIADMM Cc1cc(Br)ccc1SCC(=O)Nc1c([O-])cccc1F ZINC000608367138 1116102781 /nfs/dbraw/zinc/10/27/81/1116102781.db2.gz JUZQFZDDRKFOPU-UHFFFAOYSA-N -1 1 370.243 4.333 20 0 FIADMM CCC/C=C/C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000063810557 1116113250 /nfs/dbraw/zinc/11/32/50/1116113250.db2.gz UXRMLIWAMSECLP-IZZDOVSWSA-N -1 1 358.463 4.091 20 0 FIADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c1F ZINC000534192357 1116170173 /nfs/dbraw/zinc/17/01/73/1116170173.db2.gz JELYUOHVSHYVDW-SNVBAGLBSA-N -1 1 358.797 4.487 20 0 FIADMM Cc1ccccc1-c1cnc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)o1 ZINC000535263194 1116288107 /nfs/dbraw/zinc/28/81/07/1116288107.db2.gz YIAUWYCFVHJDNL-UHFFFAOYSA-N -1 1 367.352 4.457 20 0 FIADMM CN(C)Cc1cnc(/C=C/c2nc(C(=O)[O-])c(-c3ccccc3)s2)s1 ZINC000504720850 1116360983 /nfs/dbraw/zinc/36/09/83/1116360983.db2.gz MNKFMHFZIRRLDJ-CMDGGOBGSA-N -1 1 371.487 4.197 20 0 FIADMM CO[C@H](C)c1nsc([N-]C(=O)c2cnc(-c3ccc(C)cc3C)s2)n1 ZINC000669852642 1117774327 /nfs/dbraw/zinc/77/43/27/1117774327.db2.gz VBQBLZXPFFZCJT-LLVKDONJSA-N -1 1 374.491 4.238 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000540419426 1118046005 /nfs/dbraw/zinc/04/60/05/1118046005.db2.gz LARSPGKSCFIZCE-UHFFFAOYSA-N -1 1 350.422 4.036 20 0 FIADMM O=C(NCCSCc1cccc2ccccc21)c1c(F)ccc([O-])c1F ZINC000540514501 1118101924 /nfs/dbraw/zinc/10/19/24/1118101924.db2.gz WXKKHCOHTYTXTQ-UHFFFAOYSA-N -1 1 373.424 4.487 20 0 FIADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1Oc1cccnc1 ZINC000540558852 1118128840 /nfs/dbraw/zinc/12/88/40/1118128840.db2.gz IRWFXRDHYKQUJE-UHFFFAOYSA-N -1 1 356.328 4.418 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1Cl ZINC000463520513 1118202206 /nfs/dbraw/zinc/20/22/06/1118202206.db2.gz XVLGUPYQZOWATD-UHFFFAOYSA-N -1 1 367.883 4.047 20 0 FIADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000542008141 1118750745 /nfs/dbraw/zinc/75/07/45/1118750745.db2.gz NVPPAPAHIBCHBR-UHFFFAOYSA-N -1 1 372.446 4.320 20 0 FIADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000542455803 1118935942 /nfs/dbraw/zinc/93/59/42/1118935942.db2.gz IJZRTBXKYUHENI-OAHLLOKOSA-N -1 1 360.251 4.093 20 0 FIADMM COc1cc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)cc(Cl)c1[O-] ZINC000491596272 1118967515 /nfs/dbraw/zinc/96/75/15/1118967515.db2.gz IXZUMRCGALMKHZ-OAHLLOKOSA-N -1 1 351.855 4.339 20 0 FIADMM C/C(=C\c1ccccc1)CN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000491818918 1118983278 /nfs/dbraw/zinc/98/32/78/1118983278.db2.gz PHZBUQWIHMYYDN-NTCAYCPXSA-N -1 1 360.461 4.401 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(C)o3)cc2)cc1 ZINC000151870313 1118993936 /nfs/dbraw/zinc/99/39/36/1118993936.db2.gz JDEVOVCIONZKDE-CYBMUJFWSA-N -1 1 371.462 4.359 20 0 FIADMM Cc1nc(C)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)o1 ZINC000175603450 1119215881 /nfs/dbraw/zinc/21/58/81/1119215881.db2.gz SVYNJMJSWHJEIE-UHFFFAOYSA-N -1 1 350.330 4.114 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000176253845 1119265767 /nfs/dbraw/zinc/26/57/67/1119265767.db2.gz XVCNXJNYPXGDBK-LLVKDONJSA-N -1 1 369.490 4.082 20 0 FIADMM O=C([N-]c1nnc(C(F)F)s1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000183412660 1119573996 /nfs/dbraw/zinc/57/39/96/1119573996.db2.gz RRVRMKQUMHMJKM-UHFFFAOYSA-N -1 1 374.344 4.130 20 0 FIADMM Cc1c(=O)[n-]c(SCc2nc3cc(F)ccc3o2)nc1-c1ccccc1 ZINC000185050987 1119638084 /nfs/dbraw/zinc/63/80/84/1119638084.db2.gz YREFHPGASARMIK-UHFFFAOYSA-N -1 1 367.405 4.318 20 0 FIADMM Cc1cnn(CCCCCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000185052775 1119638109 /nfs/dbraw/zinc/63/81/09/1119638109.db2.gz ZHYRNXUBEDXCSO-UHFFFAOYSA-N -1 1 368.506 4.213 20 0 FIADMM CCOc1cc(C(=O)NCc2ccc(C(F)F)cc2)cc(Cl)c1[O-] ZINC000185403770 1119660902 /nfs/dbraw/zinc/66/09/02/1119660902.db2.gz RUSAVTTZLNCRJY-UHFFFAOYSA-N -1 1 355.768 4.312 20 0 FIADMM CCOc1cc(C(=O)Nc2ccccc2OCC(F)F)cc(Cl)c1[O-] ZINC000186868799 1119754370 /nfs/dbraw/zinc/75/43/70/1119754370.db2.gz SZMXJNDRVSXVMD-UHFFFAOYSA-N -1 1 371.767 4.341 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2ccccn2)c1 ZINC000187266434 1119775591 /nfs/dbraw/zinc/77/55/91/1119775591.db2.gz GOEKRLPVZFPQIQ-UHFFFAOYSA-N -1 1 368.458 4.024 20 0 FIADMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000494295558 1119822668 /nfs/dbraw/zinc/82/26/68/1119822668.db2.gz LKSJAQFGPCPGNK-LURJTMIESA-N -1 1 370.245 4.454 20 0 FIADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000152579590 1119848425 /nfs/dbraw/zinc/84/84/25/1119848425.db2.gz CVQUGWYPRWDQCV-WFASDCNBSA-N -1 1 360.251 4.173 20 0 FIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000195730736 1120224077 /nfs/dbraw/zinc/22/40/77/1120224077.db2.gz DFEUDXAICPFAOS-UHFFFAOYSA-N -1 1 351.431 4.010 20 0 FIADMM CCC(CC)N(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000494834432 1120336057 /nfs/dbraw/zinc/33/60/57/1120336057.db2.gz DXHGPSSFWYGSSL-UHFFFAOYSA-N -1 1 374.506 4.138 20 0 FIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Br)ccc1Cl ZINC000229018697 1120460485 /nfs/dbraw/zinc/46/04/85/1120460485.db2.gz RACAZXOKEVTFHJ-ONERCXAPSA-N -1 1 372.690 4.320 20 0 FIADMM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000761840772 1120534381 /nfs/dbraw/zinc/53/43/81/1120534381.db2.gz ODZGFHJAOGPWQJ-MDZDMXLPSA-N -1 1 351.859 4.133 20 0 FIADMM COc1cc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000495354642 1120706898 /nfs/dbraw/zinc/70/68/98/1120706898.db2.gz UKQXKFYZJGLSDJ-SFHVURJKSA-N -1 1 357.837 4.422 20 0 FIADMM CC(C)(C)Sc1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)nc1 ZINC000762389317 1120900354 /nfs/dbraw/zinc/90/03/54/1120900354.db2.gz LDMWJLOEURJVKU-UHFFFAOYSA-N -1 1 371.418 4.124 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H](C)c2nc3ccccc3o2)cc(Cl)c1[O-] ZINC000762609918 1120937874 /nfs/dbraw/zinc/93/78/74/1120937874.db2.gz BZGJCOGIHCNMIZ-LLVKDONJSA-N -1 1 374.824 4.119 20 0 FIADMM CCOc1cc(C(=O)N2C[C@H](C)Oc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000762610049 1120938037 /nfs/dbraw/zinc/93/80/37/1120938037.db2.gz DILOZJQPJUPJNF-LBPRGKRZSA-N -1 1 361.825 4.180 20 0 FIADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000236423390 1120965364 /nfs/dbraw/zinc/96/53/64/1120965364.db2.gz KITPVWJQHFHDDX-ZDUSSCGKSA-N -1 1 360.679 4.322 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c([O-])c1 ZINC000029794571 1121049235 /nfs/dbraw/zinc/04/92/35/1121049235.db2.gz YIFGGNWYVUJWBL-UHFFFAOYSA-N -1 1 365.414 4.029 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000031534596 1121084625 /nfs/dbraw/zinc/08/46/25/1121084625.db2.gz VIIKDYNDGJORAH-CQSZACIVSA-N -1 1 355.463 4.391 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000031534600 1121085079 /nfs/dbraw/zinc/08/50/79/1121085079.db2.gz VIIKDYNDGJORAH-AWEZNQCLSA-N -1 1 355.463 4.391 20 0 FIADMM CN(CCCOc1ccc(F)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000032071342 1121099635 /nfs/dbraw/zinc/09/96/35/1121099635.db2.gz CUUSVPNEWLOOQB-UHFFFAOYSA-N -1 1 353.393 4.226 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000032594803 1121111058 /nfs/dbraw/zinc/11/10/58/1121111058.db2.gz KHEQAUOWOKRYIW-UHFFFAOYSA-N -1 1 369.446 4.193 20 0 FIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1 ZINC000036760478 1121132718 /nfs/dbraw/zinc/13/27/18/1121132718.db2.gz OVPRQWJBBBYCRW-UHFFFAOYSA-N -1 1 374.849 4.115 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1 ZINC000055222458 1121234162 /nfs/dbraw/zinc/23/41/62/1121234162.db2.gz WNHUCPJOZOTXIK-UHFFFAOYSA-N -1 1 362.813 4.044 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2)oc1C ZINC000105591155 1121283796 /nfs/dbraw/zinc/28/37/96/1121283796.db2.gz LHOZRAAHSGBBBX-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cc1 ZINC000032600903 1121337721 /nfs/dbraw/zinc/33/77/21/1121337721.db2.gz IBSWJFPFEIFZTA-UHFFFAOYSA-N -1 1 374.506 4.094 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000057412575 1121369029 /nfs/dbraw/zinc/36/90/29/1121369029.db2.gz VDNSZAIYYGYNSE-UHFFFAOYSA-N -1 1 369.442 4.172 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1C ZINC000060341808 1121466763 /nfs/dbraw/zinc/46/67/63/1121466763.db2.gz RTSIWOFYZBAHSV-UHFFFAOYSA-N -1 1 374.487 4.140 20 0 FIADMM O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1ccc2ccccc2c1[O-] ZINC000916463117 1121510001 /nfs/dbraw/zinc/51/00/01/1121510001.db2.gz ICQACJJTQRUHAV-UHFFFAOYSA-N -1 1 370.408 4.008 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1ccc(Br)c(Cl)c1F ZINC000683496083 1121558161 /nfs/dbraw/zinc/55/81/61/1121558161.db2.gz YZFUVXRKQVOWRZ-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c(C)c1 ZINC000037574568 1121581960 /nfs/dbraw/zinc/58/19/60/1121581960.db2.gz NVXSISOBFJFXBU-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1 ZINC000064475433 1121615817 /nfs/dbraw/zinc/61/58/17/1121615817.db2.gz VBFNDCMMHYXOOQ-UHFFFAOYSA-N -1 1 363.382 4.108 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1C ZINC000067659710 1121788120 /nfs/dbraw/zinc/78/81/20/1121788120.db2.gz ZQUDTFCUCCEMKU-UHFFFAOYSA-N -1 1 358.385 4.078 20 0 FIADMM CCS[C@H](C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)C(C)C ZINC000068435411 1121827663 /nfs/dbraw/zinc/82/76/63/1121827663.db2.gz PXEXHFPYOYXGPD-AWEZNQCLSA-N -1 1 370.588 4.005 20 0 FIADMM Cc1onc(C2CC2)c1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000648995003 1121901189 /nfs/dbraw/zinc/90/11/89/1121901189.db2.gz LIFVAJHOWIUXAN-UHFFFAOYSA-N -1 1 372.475 4.424 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1C ZINC000055632299 1122258431 /nfs/dbraw/zinc/25/84/31/1122258431.db2.gz ZKMRISGRDDWNKQ-UHFFFAOYSA-N -1 1 368.458 4.078 20 0 FIADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000497590317 1122299999 /nfs/dbraw/zinc/29/99/99/1122299999.db2.gz DQTBDHWIRITCDE-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM CCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000615227903 1122379121 /nfs/dbraw/zinc/37/91/21/1122379121.db2.gz LLWOKLTZWQKIHP-UHFFFAOYSA-N -1 1 356.321 4.157 20 0 FIADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(OC2CCCC2)cc1 ZINC000917741652 1122416726 /nfs/dbraw/zinc/41/67/26/1122416726.db2.gz ZNYNWZBBIBWKGJ-UHFFFAOYSA-N -1 1 374.487 4.419 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000917729574 1122419557 /nfs/dbraw/zinc/41/95/57/1122419557.db2.gz JLCIHDGUZUAOEF-UHFFFAOYSA-N -1 1 369.508 4.414 20 0 FIADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000069042754 1122544857 /nfs/dbraw/zinc/54/48/57/1122544857.db2.gz BCQMTIMCSHQMLZ-UHFFFAOYSA-N -1 1 355.821 4.350 20 0 FIADMM O=C([N-]c1nncs1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000069334283 1122571709 /nfs/dbraw/zinc/57/17/09/1122571709.db2.gz QGHJNZGQICRIKB-UHFFFAOYSA-N -1 1 357.247 4.221 20 0 FIADMM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc([O-])cc1F ZINC000154842350 1122817873 /nfs/dbraw/zinc/81/78/73/1122817873.db2.gz RZXIKXCYDOEGKP-UHFFFAOYSA-N -1 1 368.433 4.408 20 0 FIADMM CC(C)c1ccc(CCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000919394684 1122994696 /nfs/dbraw/zinc/99/46/96/1122994696.db2.gz BIVADBPGUFKBMF-UHFFFAOYSA-N -1 1 366.413 4.298 20 0 FIADMM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(F)c(F)cc2F)n1 ZINC000131381857 1123055819 /nfs/dbraw/zinc/05/58/19/1123055819.db2.gz RJDKPPYEUSWIQI-UHFFFAOYSA-N -1 1 355.366 4.245 20 0 FIADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000075178051 1123466725 /nfs/dbraw/zinc/46/67/25/1123466725.db2.gz WTVRDSUHVGABPM-CYBMUJFWSA-N -1 1 370.474 4.372 20 0 FIADMM CC[C@]1(CCc2ccccc2)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000921150985 1123572503 /nfs/dbraw/zinc/57/25/03/1123572503.db2.gz XMTQWFLMQDYCEX-JOCHJYFZSA-N -1 1 365.477 4.077 20 0 FIADMM CC(=O)Nc1cc(NC(=O)c2cc3ccccc3cc2[O-])c(F)cc1F ZINC000921158788 1123573590 /nfs/dbraw/zinc/57/35/90/1123573590.db2.gz KTDPYSLLSMALCF-UHFFFAOYSA-N -1 1 356.328 4.034 20 0 FIADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1ncoc1CCC(F)(F)F ZINC001127557358 1123712756 /nfs/dbraw/zinc/71/27/56/1123712756.db2.gz MCTHMCHNFSLEHF-UHFFFAOYSA-N -1 1 354.662 4.353 20 0 FIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccccc1-c1ccccc1 ZINC000195650512 1123898625 /nfs/dbraw/zinc/89/86/25/1123898625.db2.gz BQMDSTNNLAFNPW-UHFFFAOYSA-N -1 1 361.426 4.098 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c1 ZINC000615394268 1124000669 /nfs/dbraw/zinc/00/06/69/1124000669.db2.gz VZZXIBAICSSZHA-KZULUSFZSA-N -1 1 370.474 4.128 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000081631061 1124109859 /nfs/dbraw/zinc/10/98/59/1124109859.db2.gz ZJBCTZNJUZQFNC-UHFFFAOYSA-N -1 1 367.474 4.357 20 0 FIADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000615988418 1124199570 /nfs/dbraw/zinc/19/95/70/1124199570.db2.gz PPWUHFICZAJOCX-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(C(F)(F)F)cc(Cl)c3F)no2)n[n-]1 ZINC001212429134 1124203632 /nfs/dbraw/zinc/20/36/32/1124203632.db2.gz BGEAVDPEJDSHBH-UHFFFAOYSA-N -1 1 374.681 4.141 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(C(F)(F)F)cc(Cl)c3F)no2)[n-]n1 ZINC001212429134 1124203639 /nfs/dbraw/zinc/20/36/39/1124203639.db2.gz BGEAVDPEJDSHBH-UHFFFAOYSA-N -1 1 374.681 4.141 20 0 FIADMM COCCC[C@@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000672052990 1124244816 /nfs/dbraw/zinc/24/48/16/1124244816.db2.gz RULZLWVCFQNKKW-HNNXBMFYSA-N -1 1 365.832 4.125 20 0 FIADMM CCCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931583 1124245817 /nfs/dbraw/zinc/24/58/17/1124245817.db2.gz IJVSNNBNHFCQRV-UHFFFAOYSA-N -1 1 364.442 4.145 20 0 FIADMM CC(=O)Nc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1 ZINC000180448509 1124327364 /nfs/dbraw/zinc/32/73/64/1124327364.db2.gz KRDQZWUQGVCCEK-KRXBUXKQSA-N -1 1 360.207 4.009 20 0 FIADMM Cc1nc(-c2ccc(N[C@H](C)C3CCC(F)(F)CC3)nc2)[n-]c(=O)c1C ZINC000656228483 1124818259 /nfs/dbraw/zinc/81/82/59/1124818259.db2.gz QVIQDPFPKCCZSD-CYBMUJFWSA-N -1 1 362.424 4.487 20 0 FIADMM [O-]c1c(F)cc(Nc2nc(Br)cnc2Cl)cc1Cl ZINC001214482748 1124850786 /nfs/dbraw/zinc/85/07/86/1124850786.db2.gz LTFUTFPLOSDRFX-UHFFFAOYSA-N -1 1 352.978 4.134 20 0 FIADMM [O-]c1c(F)cc(Nc2cnc(Cl)c(Br)n2)cc1Cl ZINC001214486549 1124997889 /nfs/dbraw/zinc/99/78/89/1124997889.db2.gz MMIZEXYRYFODTL-UHFFFAOYSA-N -1 1 352.978 4.134 20 0 FIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)c(C)c1 ZINC000077959458 1125298204 /nfs/dbraw/zinc/29/82/04/1125298204.db2.gz ICSNYXMRALNJFS-AWEZNQCLSA-N -1 1 374.506 4.059 20 0 FIADMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000672889423 1125350909 /nfs/dbraw/zinc/35/09/09/1125350909.db2.gz FOBYNTAWICXFGR-UHFFFAOYSA-N -1 1 350.189 4.003 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000072034544 221397985 /nfs/dbraw/zinc/39/79/85/221397985.db2.gz CRMPCFLUEODDKH-UHFFFAOYSA-N -1 1 372.412 4.414 20 0 FIADMM Cc1cccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1C ZINC000016644397 132373865 /nfs/dbraw/zinc/37/38/65/132373865.db2.gz ZRNJMDILBLOJCB-UHFFFAOYSA-N -1 1 360.457 4.125 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC(CC(F)(F)F)CC1 ZINC000671914872 568160971 /nfs/dbraw/zinc/16/09/71/568160971.db2.gz YOSYCXJCNMZNRC-UHFFFAOYSA-N -1 1 355.278 4.216 20 0 FIADMM C[C@H]1CCC[C@@H](CCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000604598623 568322698 /nfs/dbraw/zinc/32/26/98/568322698.db2.gz HUHCCEAYEMHVAV-IRXDYDNUSA-N -1 1 372.509 4.213 20 0 FIADMM O=C(Nc1cccc(COCc2ccco2)c1)c1c(F)ccc([O-])c1F ZINC000579774900 1079650163 /nfs/dbraw/zinc/65/01/63/1079650163.db2.gz RMXRSKBMAIRJLV-UHFFFAOYSA-N -1 1 359.328 4.233 20 0 FIADMM O=C(Nc1cc(F)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1[O-] ZINC001625782797 1079677297 /nfs/dbraw/zinc/67/72/97/1079677297.db2.gz KCYDQLPQKYBICH-UHFFFAOYSA-N -1 1 350.560 4.449 20 0 FIADMM CCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000029450595 1079905658 /nfs/dbraw/zinc/90/56/58/1079905658.db2.gz LVIYXULPWUBXEO-MRXNPFEDSA-N -1 1 374.506 4.056 20 0 FIADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000233984622 1079907998 /nfs/dbraw/zinc/90/79/98/1079907998.db2.gz OUUPZKFQLVCTDP-OAHLLOKOSA-N -1 1 360.679 4.179 20 0 FIADMM CC(C)Cc1nnc([N-]C(=O)c2cnc(-c3ccccc3F)s2)s1 ZINC000109024323 1079940856 /nfs/dbraw/zinc/94/08/56/1079940856.db2.gz SMRVQJHVCAUOTR-UHFFFAOYSA-N -1 1 362.455 4.252 20 0 FIADMM CC(C)[C@@H]1CCc2nc([N-]C(=O)c3ocnc3C(F)(F)F)sc2C1 ZINC000890594613 1080033228 /nfs/dbraw/zinc/03/32/28/1080033228.db2.gz WCNRMYFBPLLDHP-MRVPVSSYSA-N -1 1 359.373 4.163 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)c([O-])c1 ZINC000547729671 1080283730 /nfs/dbraw/zinc/28/37/30/1080283730.db2.gz APSOXSKYCOLPIK-UHFFFAOYSA-N -1 1 374.393 4.349 20 0 FIADMM CC(C)(C)c1nsc([N-]C(=O)c2c(Cl)nccc2C(F)(F)F)n1 ZINC000274939555 1080296259 /nfs/dbraw/zinc/29/62/59/1080296259.db2.gz AVVLRNGVUIHXSB-UHFFFAOYSA-N -1 1 364.780 4.155 20 0 FIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000088288849 1080383663 /nfs/dbraw/zinc/38/36/63/1080383663.db2.gz OLPVNDFZHCEMBA-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1 ZINC000180211466 1080465667 /nfs/dbraw/zinc/46/56/67/1080465667.db2.gz LXMZMAYUMRXJHI-UHFFFAOYSA-N -1 1 363.291 4.220 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)cc1Cl ZINC000180210404 1080466007 /nfs/dbraw/zinc/46/60/07/1080466007.db2.gz PVGFJZASRXAHMQ-UHFFFAOYSA-N -1 1 369.632 4.290 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nc3ccccc3s2)CC1 ZINC000078657348 1080492050 /nfs/dbraw/zinc/49/20/50/1080492050.db2.gz XLWBESMAWFHANK-UHFFFAOYSA-N -1 1 352.459 4.097 20 0 FIADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(COc2ccccc2F)on1 ZINC000467994849 1080562495 /nfs/dbraw/zinc/56/24/95/1080562495.db2.gz NYJPMKXRLPTCGF-UHFFFAOYSA-N -1 1 362.744 4.004 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2C2CC2)cc1 ZINC000655602874 1081020934 /nfs/dbraw/zinc/02/09/34/1081020934.db2.gz OGCXLCSYKMQHIX-UHFFFAOYSA-N -1 1 367.854 4.035 20 0 FIADMM CC(C)(C)c1nc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)co1 ZINC001125366757 1081039123 /nfs/dbraw/zinc/03/91/23/1081039123.db2.gz KCZBGUFKDNBCNL-UHFFFAOYSA-N -1 1 362.842 4.396 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](C2CCCC2)C1 ZINC001648807331 1081090427 /nfs/dbraw/zinc/09/04/27/1081090427.db2.gz XNZMEAUUDFKSLL-CYBMUJFWSA-N -1 1 352.272 4.197 20 0 FIADMM Cc1c(C(=O)/C=C/c2ccc([O-])c(Cl)c2)nnn1-c1ccc(Cl)cc1 ZINC000064853438 1081148073 /nfs/dbraw/zinc/14/80/73/1081148073.db2.gz CMRNWFROALHSLF-YCRREMRBSA-N -1 1 374.227 4.484 20 0 FIADMM CCc1nc2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2nc1CC ZINC000683592473 1081186293 /nfs/dbraw/zinc/18/62/93/1081186293.db2.gz DFTNGJMOIGUAMW-UHFFFAOYSA-N -1 1 364.380 4.316 20 0 FIADMM O=C(NCC[C@@H]1CCc2ccccc21)c1c([O-])cnc2ccc(Cl)cc21 ZINC001648829172 1081266859 /nfs/dbraw/zinc/26/68/59/1081266859.db2.gz LBGGZCGLWHKDIE-AWEZNQCLSA-N -1 1 366.848 4.444 20 0 FIADMM O=C([O-])c1cccc(CN2CC[C@H](c3c(F)cccc3F)C2)c1Cl ZINC000579961872 1081275045 /nfs/dbraw/zinc/27/50/45/1081275045.db2.gz QMLKUVMQZTXUQT-NSHDSACASA-N -1 1 351.780 4.306 20 0 FIADMM CCN(Cc1nc2cc(C(=O)[O-])ccc2n1CC)[C@H](C)Cc1ccsc1 ZINC000579961903 1081275214 /nfs/dbraw/zinc/27/52/14/1081275214.db2.gz QUNVJTCLIYWZOQ-CQSZACIVSA-N -1 1 371.506 4.269 20 0 FIADMM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001648862772 1081325304 /nfs/dbraw/zinc/32/53/04/1081325304.db2.gz OXPKAZFFSXSOSB-UKRRQHHQSA-N -1 1 352.821 4.127 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cccs2)c1)c1ccc2c(c1)COC2 ZINC000068076649 1081546364 /nfs/dbraw/zinc/54/63/64/1081546364.db2.gz QZKTUZGSTJEREL-UHFFFAOYSA-N -1 1 357.456 4.246 20 0 FIADMM CCOc1cc(C(=O)N2CCOc3ccccc3[C@@H]2C)cc(Cl)c1[O-] ZINC001167375728 1081806030 /nfs/dbraw/zinc/80/60/30/1081806030.db2.gz PNJHHPCTGPWTCH-LBPRGKRZSA-N -1 1 361.825 4.040 20 0 FIADMM CCCn1nccc1Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001210916426 1081838066 /nfs/dbraw/zinc/83/80/66/1081838066.db2.gz KTNXMWMJQVEELX-UHFFFAOYSA-N -1 1 367.293 4.349 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1cccc(C(F)F)c1 ZINC000780367449 1081938832 /nfs/dbraw/zinc/93/88/32/1081938832.db2.gz SAHKPHOMYJGBPL-UHFFFAOYSA-N -1 1 367.295 4.324 20 0 FIADMM COc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937622 1081963894 /nfs/dbraw/zinc/96/38/94/1081963894.db2.gz LUQSVHREZYGVAK-UHFFFAOYSA-N -1 1 363.382 4.108 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(SC(F)(F)F)cc1 ZINC000064937659 1081964951 /nfs/dbraw/zinc/96/49/51/1081964951.db2.gz IHEYLMCZMFMORM-UHFFFAOYSA-N -1 1 369.336 4.378 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(F)c1F)c1cccc(Br)c1 ZINC000580512026 1081988310 /nfs/dbraw/zinc/98/83/10/1081988310.db2.gz AIQPIIUULHLBMV-AWEZNQCLSA-N -1 1 370.193 4.033 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cnc(-c2ccco2)s1 ZINC000255696830 1082086358 /nfs/dbraw/zinc/08/63/58/1082086358.db2.gz QADRQIGUPUFGBP-WAYWQWQTSA-N -1 1 370.415 4.270 20 0 FIADMM COc1cc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)cc(Cl)c1[O-] ZINC000617914505 1082214096 /nfs/dbraw/zinc/21/40/96/1082214096.db2.gz BZTWMKIZKPPWHT-QGZVFWFLSA-N -1 1 361.825 4.405 20 0 FIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780369652 1082287274 /nfs/dbraw/zinc/28/72/74/1082287274.db2.gz FOHZCLHRYNWUOG-UHFFFAOYSA-N -1 1 368.405 4.020 20 0 FIADMM COc1ccc(-c2cc3[n-]c(CN4[C@H](C)CC[C@@H]4C)nc(=O)c3s2)cc1 ZINC000123435614 1082297613 /nfs/dbraw/zinc/29/76/13/1082297613.db2.gz KODKZMCDBCQCTL-BETUJISGSA-N -1 1 369.490 4.033 20 0 FIADMM O=C(Cc1cccc2nsnc21)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167444850 1082300392 /nfs/dbraw/zinc/30/03/92/1082300392.db2.gz OJPZBSABCBLBQW-UHFFFAOYSA-N -1 1 369.833 4.385 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1csc(-c2ncc[nH]2)n1 ZINC001167445164 1082301656 /nfs/dbraw/zinc/30/16/56/1082301656.db2.gz SWCAPHVQLFGVFC-UHFFFAOYSA-N -1 1 370.821 4.298 20 0 FIADMM C[C@@H](O[N-]C(=O)CCCc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000160792198 1082359252 /nfs/dbraw/zinc/35/92/52/1082359252.db2.gz ZUAXKTSAXOXALG-MRXNPFEDSA-N -1 1 350.418 4.473 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc(Cl)c1[O-] ZINC000581230303 1082392251 /nfs/dbraw/zinc/39/22/51/1082392251.db2.gz JKKPEQUWZDSBAV-UHFFFAOYSA-N -1 1 358.781 4.096 20 0 FIADMM Cc1ccc(-c2csc3[n-]c(COC[C@@H]4CCCO4)nc(=O)c23)s1 ZINC000656491103 1082478134 /nfs/dbraw/zinc/47/81/34/1082478134.db2.gz RHDISIHLFVDBRG-NSHDSACASA-N -1 1 362.476 4.129 20 0 FIADMM O=C(CCCc1ccccc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000581517474 1082633557 /nfs/dbraw/zinc/63/35/57/1082633557.db2.gz GYQCEAUGHFLWKA-UHFFFAOYSA-N -1 1 355.825 4.397 20 0 FIADMM C[C@@]1(Cc2ccccc2Cl)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000656758933 1082752015 /nfs/dbraw/zinc/75/20/15/1082752015.db2.gz QIDVCRSNOSZQHR-KRWDZBQOSA-N -1 1 350.871 4.092 20 0 FIADMM CC[C@@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=S)n2CC)C1)c1ccccc1 ZINC000078622233 1082831193 /nfs/dbraw/zinc/83/11/93/1082831193.db2.gz PHBZIPXKWJPWHC-DOTOQJQBSA-N -1 1 372.538 4.250 20 0 FIADMM C[C@H]1CC[C@H](C)N(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC001167481920 1082874557 /nfs/dbraw/zinc/87/45/57/1082874557.db2.gz AHMCKDDQEGULEN-STQMWFEESA-N -1 1 371.481 4.411 20 0 FIADMM CC(C)c1ncsc1C(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC000891869629 1083310063 /nfs/dbraw/zinc/31/00/63/1083310063.db2.gz ZFHLGJCKLHLNFF-UHFFFAOYSA-N -1 1 362.455 4.100 20 0 FIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2sc(C)cc2C)c1 ZINC000431153486 1083355045 /nfs/dbraw/zinc/35/50/45/1083355045.db2.gz QWAHVGQASSVUMK-UHFFFAOYSA-N -1 1 372.899 4.168 20 0 FIADMM CC1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000647375661 1083366623 /nfs/dbraw/zinc/36/66/23/1083366623.db2.gz BUJOXIHTUNPOAS-UHFFFAOYSA-N -1 1 374.868 4.001 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1Br ZINC000132485231 1083405374 /nfs/dbraw/zinc/40/53/74/1083405374.db2.gz OJDAMQJUJQXHAZ-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H](OC(C)(C)C)C3(C)C)nc2)[n-]c(=O)c1C ZINC000413604817 1083607655 /nfs/dbraw/zinc/60/76/55/1083607655.db2.gz JHLLCZJNNRYALU-CVEARBPZSA-N -1 1 370.497 4.255 20 0 FIADMM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cc(F)ccc1[O-] ZINC001143423155 1084078638 /nfs/dbraw/zinc/07/86/38/1084078638.db2.gz OXBPZGLFLXWGAO-UHFFFAOYSA-N -1 1 368.433 4.408 20 0 FIADMM CCc1nc(SCC(=O)c2c(Cl)cccc2Cl)[n-]c(=O)c1C ZINC000657264534 1084132735 /nfs/dbraw/zinc/13/27/35/1084132735.db2.gz ULFNJGZTDXNSAU-UHFFFAOYSA-N -1 1 357.262 4.335 20 0 FIADMM CCc1nc(SCc2ccccc2OCC(F)(F)F)[n-]c(=O)c1C ZINC000657264965 1084138733 /nfs/dbraw/zinc/13/87/33/1084138733.db2.gz YQNKRLKVVWJTSE-UHFFFAOYSA-N -1 1 358.385 4.286 20 0 FIADMM CCn1ccnc1[C@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843603259 1084320377 /nfs/dbraw/zinc/32/03/77/1084320377.db2.gz VHWOUHBPUFXOSN-VIFPVBQESA-N -1 1 362.207 4.179 20 0 FIADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CC)s2)cc1 ZINC000121772627 1084689491 /nfs/dbraw/zinc/68/94/91/1084689491.db2.gz YEFYLIHUPVIWKP-OAHLLOKOSA-N -1 1 355.463 4.009 20 0 FIADMM COc1cc(C)ccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000548701748 1084742504 /nfs/dbraw/zinc/74/25/04/1084742504.db2.gz GMFMTAXHJKVBDL-UHFFFAOYSA-N -1 1 350.212 4.032 20 0 FIADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(-c2ccccc2Cl)o1 ZINC000066638341 1084834912 /nfs/dbraw/zinc/83/49/12/1084834912.db2.gz KJZZATYDTBBTBF-UHFFFAOYSA-N -1 1 374.853 4.119 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2ncc(-c3ccc(F)cc3)o2)[n-]1 ZINC000582329200 1084877247 /nfs/dbraw/zinc/87/72/47/1084877247.db2.gz FRQALEKFURSMFI-UHFFFAOYSA-N -1 1 353.325 4.206 20 0 FIADMM Cc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)nn1-c1ccccc1C(C)C ZINC000175303740 1084923335 /nfs/dbraw/zinc/92/33/35/1084923335.db2.gz JIYLVCCBJDXDOA-UHFFFAOYSA-N -1 1 374.366 4.369 20 0 FIADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000175548596 1084965119 /nfs/dbraw/zinc/96/51/19/1084965119.db2.gz HRCALWXLTSMATI-PTFIGZPYSA-N -1 1 367.470 4.116 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c2ccccc12 ZINC000511118415 1084975076 /nfs/dbraw/zinc/97/50/76/1084975076.db2.gz CKMNPAQBVAYHDE-UHFFFAOYSA-N -1 1 366.442 4.439 20 0 FIADMM CCOc1cccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684871504 1085003736 /nfs/dbraw/zinc/00/37/36/1085003736.db2.gz CNEKRQRGBRUTAT-LLVKDONJSA-N -1 1 353.340 4.301 20 0 FIADMM O=C(NC1(c2nccs2)CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875154 1085014745 /nfs/dbraw/zinc/01/47/45/1085014745.db2.gz AOJWGFMMLLRHOJ-UHFFFAOYSA-N -1 1 356.369 4.067 20 0 FIADMM O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876143 1085017144 /nfs/dbraw/zinc/01/71/44/1085017144.db2.gz VBGCHQBWJWXVOE-UHFFFAOYSA-N -1 1 354.303 4.377 20 0 FIADMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000684877053 1085018452 /nfs/dbraw/zinc/01/84/52/1085018452.db2.gz IARQEWCKJRHTIG-CJNGLKHVSA-N -1 1 359.388 4.125 20 0 FIADMM Cc1nnc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)c2)o1 ZINC000684876322 1085019132 /nfs/dbraw/zinc/01/91/32/1085019132.db2.gz TWYOPHHFFBTZGN-UHFFFAOYSA-N -1 1 363.295 4.022 20 0 FIADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176675807 1085061520 /nfs/dbraw/zinc/06/15/20/1085061520.db2.gz HJHBNIDSBOHLHP-RYUDHWBXSA-N -1 1 364.540 4.000 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000511143460 1085086390 /nfs/dbraw/zinc/08/63/90/1085086390.db2.gz HDMWRNVEBITHCH-UHFFFAOYSA-N -1 1 367.295 4.108 20 0 FIADMM Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000582574560 1085179364 /nfs/dbraw/zinc/17/93/64/1085179364.db2.gz HPFPPUXIBPVMFZ-MRVPVSSYSA-N -1 1 373.812 4.201 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1Cl ZINC000432205573 1085239053 /nfs/dbraw/zinc/23/90/53/1085239053.db2.gz MGPCJAYBPQLVQW-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccccc1C(F)(F)F ZINC000007403685 1085285367 /nfs/dbraw/zinc/28/53/67/1085285367.db2.gz IHTLHODEYWFJFC-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(OC(F)(F)F)cc1 ZINC000756771088 1085851168 /nfs/dbraw/zinc/85/11/68/1085851168.db2.gz PGSHUIFDQCBXSG-QMMMGPOBSA-N -1 1 366.311 4.011 20 0 FIADMM O=C(c1nc[n-]c1-c1nc([C@H]2CCCc3ccccc32)no1)c1ccccc1 ZINC000582870226 1085863675 /nfs/dbraw/zinc/86/36/75/1085863675.db2.gz DSJKCGDPBQLWKA-KRWDZBQOSA-N -1 1 370.412 4.159 20 0 FIADMM CC(C)=CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000023154240 1086099297 /nfs/dbraw/zinc/09/92/97/1086099297.db2.gz ISGVQZFRTKMOFL-UHFFFAOYSA-N -1 1 358.463 4.009 20 0 FIADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184521917 1086249096 /nfs/dbraw/zinc/24/90/96/1086249096.db2.gz AOTDQQIEOIUBDA-UHFFFAOYSA-N -1 1 355.703 4.251 20 0 FIADMM O=C([O-])CC[C@@H](CNCc1ccc(Oc2ccccc2)o1)C(F)(F)F ZINC000663261309 1086342055 /nfs/dbraw/zinc/34/20/55/1086342055.db2.gz JCBHNWGHMGZSPS-LBPRGKRZSA-N -1 1 357.328 4.205 20 0 FIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000583176772 1086351937 /nfs/dbraw/zinc/35/19/37/1086351937.db2.gz XJDWGOOFCPSPSU-UHFFFAOYSA-N -1 1 373.396 4.004 20 0 FIADMM C/C=C(/CC)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000588574682 1086542714 /nfs/dbraw/zinc/54/27/14/1086542714.db2.gz KJTPMQYOXPRVKH-TVPGTPATSA-N -1 1 358.463 4.091 20 0 FIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccccc1 ZINC000005263172 1086575271 /nfs/dbraw/zinc/57/52/71/1086575271.db2.gz CECLTFXTROUMNL-UHFFFAOYSA-N -1 1 362.410 4.009 20 0 FIADMM O=C(Nc1nc(Br)ccc1[O-])c1c(Cl)cccc1Cl ZINC000188339001 1086594445 /nfs/dbraw/zinc/59/44/45/1086594445.db2.gz YNCOFRHGJVHNKW-UHFFFAOYSA-N -1 1 362.010 4.109 20 0 FIADMM Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc(Br)ccc1[O-] ZINC001167823747 1086603640 /nfs/dbraw/zinc/60/36/40/1086603640.db2.gz OUIKIVJZLUAENA-INIZCTEOSA-N -1 1 360.251 4.271 20 0 FIADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC(CCC(C)C)CC1 ZINC000583386561 1086637190 /nfs/dbraw/zinc/63/71/90/1086637190.db2.gz BVUMCOHAMBQFHT-UHFFFAOYSA-N -1 1 357.498 4.403 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(C)c1C ZINC000583586584 1086827057 /nfs/dbraw/zinc/82/70/57/1086827057.db2.gz ZOUAXLVDXXYXSS-UHFFFAOYSA-N -1 1 372.446 4.076 20 0 FIADMM CCOc1cc(C(=O)NCC2(c3ccccc3C)CC2)cc(Cl)c1[O-] ZINC000545169699 1086932333 /nfs/dbraw/zinc/93/23/33/1086932333.db2.gz VYGPNDUNTSFTAL-UHFFFAOYSA-N -1 1 359.853 4.214 20 0 FIADMM Cc1c2cc(F)ccc2oc1C(=O)[N-]NC(=S)Nc1ccc(C)c(C)c1 ZINC000052539279 1086935059 /nfs/dbraw/zinc/93/50/59/1086935059.db2.gz JKZCOIIWROATGR-UHFFFAOYSA-N -1 1 371.437 4.129 20 0 FIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000084460595 1087350361 /nfs/dbraw/zinc/35/03/61/1087350361.db2.gz XYTCVPCTOAGANG-UHFFFAOYSA-N -1 1 368.458 4.235 20 0 FIADMM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1c(F)ccc([O-])c1F ZINC000685451240 1087571387 /nfs/dbraw/zinc/57/13/87/1087571387.db2.gz NWDFMDXWPKCWDN-UHFFFAOYSA-N -1 1 365.339 4.262 20 0 FIADMM O=C(NCCn1c2ccccc2c2ccccc21)c1c(F)ccc([O-])c1F ZINC000685466349 1087576962 /nfs/dbraw/zinc/57/69/62/1087576962.db2.gz SPBUOIVSEKYONX-UHFFFAOYSA-N -1 1 366.367 4.208 20 0 FIADMM CCOC(=O)c1c[n-]c(NC(=O)c2oc3c(ccc4ccccc34)c2C)n1 ZINC000585681456 1087692077 /nfs/dbraw/zinc/69/20/77/1087692077.db2.gz CPGKNYPEUBOVDK-UHFFFAOYSA-N -1 1 363.373 4.047 20 0 FIADMM CCOc1cc(C(=O)Nc2nc3c(s2)CCCC3)cc(Cl)c1[O-] ZINC000186423451 1087873240 /nfs/dbraw/zinc/87/32/40/1087873240.db2.gz KYYWNDGXUFZEEP-UHFFFAOYSA-N -1 1 352.843 4.032 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024692759 1087950121 /nfs/dbraw/zinc/95/01/21/1087950121.db2.gz ONYMNPPJSVTBMH-LBPRGKRZSA-N -1 1 356.809 4.207 20 0 FIADMM C[C@@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H]1C(=O)[O-] ZINC000424419390 1087971970 /nfs/dbraw/zinc/97/19/70/1087971970.db2.gz OSYNYNRLMYAFTD-ABAIWWIYSA-N -1 1 350.871 4.149 20 0 FIADMM CCOc1cc(C(=O)N2CCCC[C@@H](SCC)C2)cc(Cl)c1[O-] ZINC000186807840 1087993709 /nfs/dbraw/zinc/99/37/09/1087993709.db2.gz LUZYSGBOIYBHER-CYBMUJFWSA-N -1 1 357.903 4.192 20 0 FIADMM CCOc1cc(C(=O)N2CCCC[C@H](SCC)C2)cc(Cl)c1[O-] ZINC000186807820 1087994140 /nfs/dbraw/zinc/99/41/40/1087994140.db2.gz LUZYSGBOIYBHER-ZDUSSCGKSA-N -1 1 357.903 4.192 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000186812840 1087994861 /nfs/dbraw/zinc/99/48/61/1087994861.db2.gz HYRGDCYJAVHFNJ-INIZCTEOSA-N -1 1 359.853 4.074 20 0 FIADMM CCOc1cc(C(=O)N(CC)[C@H](CC)c2ccncc2)cc(Cl)c1[O-] ZINC000186828783 1087998557 /nfs/dbraw/zinc/99/85/57/1087998557.db2.gz OXAHDOHREIIANQ-MRXNPFEDSA-N -1 1 362.857 4.453 20 0 FIADMM CC(C)c1ncc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])s1 ZINC000424631093 1088109859 /nfs/dbraw/zinc/10/98/59/1088109859.db2.gz ZSPVYMGTHRYKKB-SFHVURJKSA-N -1 1 354.475 4.205 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1 ZINC000134679140 1088271340 /nfs/dbraw/zinc/27/13/40/1088271340.db2.gz JBJUGHWGMXALDX-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM CSc1ccc(F)cc1C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001126423366 1088496028 /nfs/dbraw/zinc/49/60/28/1088496028.db2.gz GTEIGWANAJICLY-UHFFFAOYSA-N -1 1 361.335 4.234 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c1 ZINC000178755431 1088673929 /nfs/dbraw/zinc/67/39/29/1088673929.db2.gz VRDKZOUKTOOWBK-UHFFFAOYSA-N -1 1 370.430 4.044 20 0 FIADMM CSc1nsc([N-]C(=O)c2cnc(-c3ccc(C)cc3C)s2)n1 ZINC000084629584 1088683754 /nfs/dbraw/zinc/68/37/54/1088683754.db2.gz LXNXPPPUELCSRF-UHFFFAOYSA-N -1 1 362.505 4.253 20 0 FIADMM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2cc(F)ccc2s1 ZINC000017158448 1088760384 /nfs/dbraw/zinc/76/03/84/1088760384.db2.gz QBMWWXXJWMVFAG-UHFFFAOYSA-N -1 1 372.465 4.018 20 0 FIADMM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1c(F)ccc([O-])c1F ZINC000376671421 1088819759 /nfs/dbraw/zinc/81/97/59/1088819759.db2.gz KSUHBUZWOHIBRH-UHFFFAOYSA-N -1 1 369.371 4.123 20 0 FIADMM O=C(Nc1ccccc1CN1CCc2ccccc21)c1ccc([O-])cc1F ZINC000181894964 1088864672 /nfs/dbraw/zinc/86/46/72/1088864672.db2.gz JPFMJODGYIHBEP-UHFFFAOYSA-N -1 1 362.404 4.346 20 0 FIADMM Cc1cc([C@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)oc1C(=O)[O-] ZINC000659795856 1088873099 /nfs/dbraw/zinc/87/30/99/1088873099.db2.gz IKRBFMVNAPEEAS-LBPRGKRZSA-N -1 1 371.355 4.420 20 0 FIADMM COc1ccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1Cl ZINC000182058326 1088896894 /nfs/dbraw/zinc/89/68/94/1088896894.db2.gz BJSCLHBNTLUPDA-UHFFFAOYSA-N -1 1 359.731 4.350 20 0 FIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1cc(Cl)ccc1Cl ZINC000188135247 1088904361 /nfs/dbraw/zinc/90/43/61/1088904361.db2.gz ZONZZVDXLXUQBB-UHFFFAOYSA-N -1 1 370.261 4.097 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CSC)cc1 ZINC000545365431 1089226841 /nfs/dbraw/zinc/22/68/41/1089226841.db2.gz DJKUPJSLHCWPRE-UHFFFAOYSA-N -1 1 351.493 4.139 20 0 FIADMM C[C@H]1CCc2sc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cc2C1 ZINC000613664251 1089233099 /nfs/dbraw/zinc/23/30/99/1089233099.db2.gz KOUXJBUXXOXZAL-NSHDSACASA-N -1 1 353.447 4.221 20 0 FIADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1ccc(C(F)(F)F)cc1 ZINC000514819055 1089514324 /nfs/dbraw/zinc/51/43/24/1089514324.db2.gz YSHXPKHJAUNQHN-UHFFFAOYSA-N -1 1 373.321 4.397 20 0 FIADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(-c2ccncc2)cc1 ZINC000377630403 1089593108 /nfs/dbraw/zinc/59/31/08/1089593108.db2.gz RIXHKUVMQWCIDG-GFCCVEGCSA-N -1 1 354.356 4.223 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c(Cl)cc(F)cc1Cl ZINC000435505032 1089722883 /nfs/dbraw/zinc/72/28/83/1089722883.db2.gz MJFBXTWAVCJOKR-UHFFFAOYSA-N -1 1 374.142 4.351 20 0 FIADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2cc(Br)ccc2[nH]1 ZINC001625894045 1089964155 /nfs/dbraw/zinc/96/41/55/1089964155.db2.gz PPXKPGHSEMRDNG-UHFFFAOYSA-N -1 1 367.149 4.167 20 0 FIADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)nn1-c1cc(C)cc(C)c1 ZINC001625894082 1089975347 /nfs/dbraw/zinc/97/53/47/1089975347.db2.gz RBCOXGORHZGRCE-UHFFFAOYSA-N -1 1 357.360 4.034 20 0 FIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(C2CCCCC2)n1 ZINC000515373469 1089982608 /nfs/dbraw/zinc/98/26/08/1089982608.db2.gz BPCBAARQEQVMCL-UHFFFAOYSA-N -1 1 362.402 4.313 20 0 FIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182137622 1090047262 /nfs/dbraw/zinc/04/72/62/1090047262.db2.gz UCXXCZQHFVKGIC-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM CC(C)(C)c1ncsc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182145911 1090055550 /nfs/dbraw/zinc/05/55/50/1090055550.db2.gz XAEALSUPPRBRFJ-UHFFFAOYSA-N -1 1 350.494 4.273 20 0 FIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccc2ccccc2c1 ZINC000180273310 1090182257 /nfs/dbraw/zinc/18/22/57/1090182257.db2.gz IQCBZLSHDNOPPR-UHFFFAOYSA-N -1 1 353.230 4.342 20 0 FIADMM CC(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058058943 1090258901 /nfs/dbraw/zinc/25/89/01/1090258901.db2.gz AKWGUALVMUJHEO-UHFFFAOYSA-N -1 1 366.870 4.125 20 0 FIADMM O=C(c1cc2c(s1)CCCC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042061549 1090366867 /nfs/dbraw/zinc/36/68/67/1090366867.db2.gz VHGHVAHKFYWLDL-UHFFFAOYSA-N -1 1 369.486 4.068 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(C2CCC2)s1)c1cccc(Cl)c1 ZINC000417559439 1090924880 /nfs/dbraw/zinc/92/48/80/1090924880.db2.gz XTYGSLBNVPWVHL-HNNXBMFYSA-N -1 1 350.871 4.370 20 0 FIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ncc(C(C)(C)C)s2)cc1 ZINC000417578984 1090930820 /nfs/dbraw/zinc/93/08/20/1090930820.db2.gz OPPVTWVLNZLVFJ-OAHLLOKOSA-N -1 1 362.495 4.145 20 0 FIADMM COc1cc(Cl)c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417624069 1090941990 /nfs/dbraw/zinc/94/19/90/1090941990.db2.gz KIQSQVMESAZDPB-CZUORRHYSA-N -1 1 366.244 4.405 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](NCc2c(F)cccc2OC(F)(F)F)c2ccccc21 ZINC000417636006 1090946897 /nfs/dbraw/zinc/94/68/97/1090946897.db2.gz XAHJUZKIQCOSSI-DOMZBBRYSA-N -1 1 369.314 4.127 20 0 FIADMM O=C([O-])[C@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2F)c2ccccc21 ZINC000417624262 1090947621 /nfs/dbraw/zinc/94/76/21/1090947621.db2.gz QKSQYBPYDBTGMM-GOEBONIOSA-N -1 1 353.315 4.247 20 0 FIADMM CCc1ccc(CN[C@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])o1 ZINC000417641757 1090952838 /nfs/dbraw/zinc/95/28/38/1090952838.db2.gz RSRNTCDGVCFPSC-BZNIZROVSA-N -1 1 366.255 4.156 20 0 FIADMM CC(C)(C)c1ccc(-c2ccc(CN[C@H](C[C@H]3CCOC3)C(=O)[O-])o2)cc1 ZINC000417663164 1090954754 /nfs/dbraw/zinc/95/47/54/1090954754.db2.gz MURPQCOAEZZCCI-DNVCBOLYSA-N -1 1 371.477 4.214 20 0 FIADMM CCCO[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccc(F)cc1C ZINC001625897013 1090979994 /nfs/dbraw/zinc/97/99/94/1090979994.db2.gz UVXSNHURAJUSLM-QGZVFWFLSA-N -1 1 353.340 4.224 20 0 FIADMM CC(C)CCC[C@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042930354 1091101251 /nfs/dbraw/zinc/10/12/51/1091101251.db2.gz ZZCNNRQIIKREEM-INIZCTEOSA-N -1 1 360.498 4.211 20 0 FIADMM COc1cc(NC(=O)c2ccc([O-])cc2F)c(Cl)cc1Br ZINC001167758769 1091291022 /nfs/dbraw/zinc/29/10/22/1091291022.db2.gz ZUGHCGKLQAJLCA-UHFFFAOYSA-N -1 1 374.593 4.208 20 0 FIADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000511710631 1091555109 /nfs/dbraw/zinc/55/51/09/1091555109.db2.gz UWNYPHTYZBUDEZ-CYBMUJFWSA-N -1 1 374.437 4.352 20 0 FIADMM O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccccc1 ZINC000511741158 1091584739 /nfs/dbraw/zinc/58/47/39/1091584739.db2.gz WJNDTTRDLLOBNI-UHFFFAOYSA-N -1 1 367.405 4.170 20 0 FIADMM FC(F)(F)c1nc(=NCC[C@@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000432160832 1091762126 /nfs/dbraw/zinc/76/21/26/1091762126.db2.gz BODQFFHACGZDTO-VIFPVBQESA-N -1 1 355.307 4.127 20 0 FIADMM Cc1sc2[n-]c(-c3nccc(C)n3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000432521298 1091793657 /nfs/dbraw/zinc/79/36/57/1091793657.db2.gz WKISAHNQKDLETD-UHFFFAOYSA-N -1 1 352.394 4.277 20 0 FIADMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC(C)(C)C1 ZINC001211705683 1091962217 /nfs/dbraw/zinc/96/22/17/1091962217.db2.gz VIEMEYMWGQFYEC-RYUDHWBXSA-N -1 1 363.445 4.235 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1Cl ZINC000432644824 1092023751 /nfs/dbraw/zinc/02/37/51/1092023751.db2.gz SSDZKBNLDGPCPH-UHFFFAOYSA-N -1 1 352.868 4.344 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccc(F)cc3)o2)[n-]c1=O ZINC000432695696 1092122915 /nfs/dbraw/zinc/12/29/15/1092122915.db2.gz RFHRSWKQDIXADM-BENRWUELSA-N -1 1 368.364 4.319 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1C(C)C ZINC000432765659 1092291595 /nfs/dbraw/zinc/29/15/95/1092291595.db2.gz CLHKENDFOHAWKQ-UHFFFAOYSA-N -1 1 374.462 4.377 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1C(C)C ZINC000432775678 1092323747 /nfs/dbraw/zinc/32/37/47/1092323747.db2.gz JRDYGAZSOFWCRC-UHFFFAOYSA-N -1 1 361.463 4.130 20 0 FIADMM C[C@H](CN=c1[n-]c(C(F)(F)F)c(Br)s1)c1nccs1 ZINC000418920882 1092326489 /nfs/dbraw/zinc/32/64/89/1092326489.db2.gz ZYQKNGSIYSPFDE-RXMQYKEDSA-N -1 1 372.235 4.018 20 0 FIADMM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2o1 ZINC000520925184 1092359545 /nfs/dbraw/zinc/35/95/45/1092359545.db2.gz RNQKPIMYXNXLCX-UHFFFAOYSA-N -1 1 362.426 4.356 20 0 FIADMM CCC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000520986335 1092398882 /nfs/dbraw/zinc/39/88/82/1092398882.db2.gz GQSOSNKOPXUYPK-QGZVFWFLSA-N -1 1 374.506 4.104 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1 ZINC000521026620 1092433577 /nfs/dbraw/zinc/43/35/77/1092433577.db2.gz UQODXMGVRISHFE-UHFFFAOYSA-N -1 1 372.490 4.070 20 0 FIADMM CC(C)(C)c1ccc(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000521319316 1092639683 /nfs/dbraw/zinc/63/96/83/1092639683.db2.gz OEIJRHPBQKPANY-UHFFFAOYSA-N -1 1 367.421 4.148 20 0 FIADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](c3ccccc3F)C2(C)C)c1 ZINC001648947004 1092640118 /nfs/dbraw/zinc/64/01/18/1092640118.db2.gz WGLLUGOFXIPEIE-QGZVFWFLSA-N -1 1 355.409 4.061 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cc(Cl)ccc3Cl)[nH][n-]2)s1 ZINC000500858519 1092650682 /nfs/dbraw/zinc/65/06/82/1092650682.db2.gz MTSJOJDIIYXOJN-UHFFFAOYSA-N -1 1 352.246 4.428 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(OCC(F)F)cn3)no2)ccc2ccccc21 ZINC000442686832 1092724415 /nfs/dbraw/zinc/72/44/15/1092724415.db2.gz LVUXKSRPIDXCOT-UHFFFAOYSA-N -1 1 369.327 4.301 20 0 FIADMM CCSc1nnc([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)s1 ZINC000007920724 1092733793 /nfs/dbraw/zinc/73/37/93/1092733793.db2.gz DJTWAELAYLMXLG-UHFFFAOYSA-N -1 1 366.468 4.165 20 0 FIADMM COc1cc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000442731517 1092740925 /nfs/dbraw/zinc/74/09/25/1092740925.db2.gz JCDAFBQZOQFONA-UHFFFAOYSA-N -1 1 373.758 4.345 20 0 FIADMM COc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)cc(Cl)c1[O-] ZINC000442735050 1092742824 /nfs/dbraw/zinc/74/28/24/1092742824.db2.gz FWJJYKQTGXQYLU-UHFFFAOYSA-N -1 1 361.703 4.047 20 0 FIADMM Cc1nc(C2CC2)oc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000544816779 1092752971 /nfs/dbraw/zinc/75/29/71/1092752971.db2.gz GPJVTGPTMUIUGJ-UHFFFAOYSA-N -1 1 358.448 4.115 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc(Cl)c1[O-] ZINC000442855389 1092828505 /nfs/dbraw/zinc/82/85/05/1092828505.db2.gz PQRXQXDMWKQQRJ-SECBINFHSA-N -1 1 371.767 4.147 20 0 FIADMM CC(C)n1c(CCNC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)n[n-]c1=S ZINC000067072629 1092843774 /nfs/dbraw/zinc/84/37/74/1092843774.db2.gz IWIVUZPJLQZKEW-KBPBESRZSA-N -1 1 352.548 4.033 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)c1 ZINC000110392542 1092864667 /nfs/dbraw/zinc/86/46/67/1092864667.db2.gz XVCHYVUVZFEPLV-UHFFFAOYSA-N -1 1 371.462 4.278 20 0 FIADMM COc1cc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc(Cl)c1[O-] ZINC000442946123 1092879942 /nfs/dbraw/zinc/87/99/42/1092879942.db2.gz TYGLDOMVXGQCLT-UHFFFAOYSA-N -1 1 370.764 4.194 20 0 FIADMM COc1cc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)cc(Cl)c1[O-] ZINC000442948492 1092881938 /nfs/dbraw/zinc/88/19/38/1092881938.db2.gz XOWQDZSLRMSVGO-UHFFFAOYSA-N -1 1 359.813 4.237 20 0 FIADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442961064 1092888275 /nfs/dbraw/zinc/88/82/75/1092888275.db2.gz BXRLVGISXILOIL-HNNXBMFYSA-N -1 1 361.825 4.040 20 0 FIADMM COc1cc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc(Cl)c1[O-] ZINC000442965303 1092892904 /nfs/dbraw/zinc/89/29/04/1092892904.db2.gz IISMPBICEJHCEA-UHFFFAOYSA-N -1 1 359.813 4.237 20 0 FIADMM COc1cc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)cc(Cl)c1[O-] ZINC000443117519 1092951104 /nfs/dbraw/zinc/95/11/04/1092951104.db2.gz GGQRYTHESAWQNA-HXUWFJFHSA-N -1 1 359.853 4.292 20 0 FIADMM COc1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)cc(Cl)c1[O-] ZINC000443132762 1092960591 /nfs/dbraw/zinc/96/05/91/1092960591.db2.gz MKHTYHGQGNSFHL-UHFFFAOYSA-N -1 1 357.837 4.292 20 0 FIADMM COc1cc(C(=O)N[C@@H](C)CSc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000443133849 1092961186 /nfs/dbraw/zinc/96/11/86/1092961186.db2.gz OKTZZJXRHBXHSD-LBPRGKRZSA-N -1 1 365.882 4.273 20 0 FIADMM Cc1ccc(-c2cc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)on2)cc1 ZINC000521905656 1092963953 /nfs/dbraw/zinc/96/39/53/1092963953.db2.gz BMTRJNPDKYNAPI-UHFFFAOYSA-N -1 1 367.352 4.457 20 0 FIADMM COc1cc(-c2nc(CSCc3ccco3)no2)cc(Cl)c1[O-] ZINC000443211297 1092985962 /nfs/dbraw/zinc/98/59/62/1092985962.db2.gz DLPVTEPNPDPPQQ-UHFFFAOYSA-N -1 1 352.799 4.131 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc4c(n3)CCCC4)no2)cc(Cl)c1[O-] ZINC000443202216 1092989105 /nfs/dbraw/zinc/98/91/05/1092989105.db2.gz JPDXDTGTZWSVPM-UHFFFAOYSA-N -1 1 371.824 4.435 20 0 FIADMM CCOc1cc(-c2nc(Cc3cc(F)cc(F)c3)no2)cc(Cl)c1[O-] ZINC000443204361 1092989728 /nfs/dbraw/zinc/98/97/28/1092989728.db2.gz PDPNBQVYQBCHLI-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM CCOc1cc(-c2nc(Cc3cccc(OC)c3)no2)cc(Cl)c1[O-] ZINC000443208472 1092992901 /nfs/dbraw/zinc/99/29/01/1092992901.db2.gz OKTZTTOLILBNOT-UHFFFAOYSA-N -1 1 360.797 4.094 20 0 FIADMM COc1cc(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc(Cl)c1[O-] ZINC000443303056 1093041563 /nfs/dbraw/zinc/04/15/63/1093041563.db2.gz QTHKYVIFFLAMNR-MWLCHTKSSA-N -1 1 365.779 4.153 20 0 FIADMM Oc1ccc(F)c(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1F ZINC000512683577 1093135693 /nfs/dbraw/zinc/13/56/93/1093135693.db2.gz URVPKLZHNLDDOB-LLVKDONJSA-N -1 1 372.337 4.058 20 0 FIADMM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094031915 1093278769 /nfs/dbraw/zinc/27/87/69/1093278769.db2.gz PRRXPTGVVURNMW-UHFFFAOYSA-N -1 1 364.376 4.344 20 0 FIADMM [O-]c1cccc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)c1Cl ZINC000645166815 1093345100 /nfs/dbraw/zinc/34/51/00/1093345100.db2.gz AMWNPXSMWOHSFZ-AWEZNQCLSA-N -1 1 351.805 4.355 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1Cl ZINC000033763110 1093518438 /nfs/dbraw/zinc/51/84/38/1093518438.db2.gz CVGPNVRVHLZAGY-UHFFFAOYSA-N -1 1 374.849 4.252 20 0 FIADMM Cc1cccc(OCCCCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000513027810 1093675831 /nfs/dbraw/zinc/67/58/31/1093675831.db2.gz PIRSQYMAKBQBIU-UHFFFAOYSA-N -1 1 365.433 4.279 20 0 FIADMM CCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](CC)c1ccccc1 ZINC000114778837 1093705973 /nfs/dbraw/zinc/70/59/73/1093705973.db2.gz ZDHICHMVMSZARL-LJQANCHMSA-N -1 1 363.461 4.317 20 0 FIADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(Cl)cc1[O-] ZINC000097124535 1093799442 /nfs/dbraw/zinc/79/94/42/1093799442.db2.gz NPLZDQGGGAIOIZ-UHFFFAOYSA-N -1 1 369.852 4.141 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000433518966 1093867354 /nfs/dbraw/zinc/86/73/54/1093867354.db2.gz VXHDMHPHQIDAIM-UHFFFAOYSA-N -1 1 354.431 4.237 20 0 FIADMM CC(C)(C)OC(=O)c1cncc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001625922723 1093988307 /nfs/dbraw/zinc/98/83/07/1093988307.db2.gz RZILKXJQBMDBRI-UHFFFAOYSA-N -1 1 363.801 4.040 20 0 FIADMM O=C([O-])C1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000262630041 1094132102 /nfs/dbraw/zinc/13/21/02/1094132102.db2.gz GUCSZEIVIYABDS-UHFFFAOYSA-N -1 1 370.396 4.126 20 0 FIADMM [O-]c1cccc(CN2CCOC[C@@H]2c2nc3ccccc3s2)c1Cl ZINC000513520556 1094180876 /nfs/dbraw/zinc/18/08/76/1094180876.db2.gz PCCREVFGDPGQEZ-CQSZACIVSA-N -1 1 360.866 4.229 20 0 FIADMM Cc1nc(CC(F)(F)F)sc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000896223531 1094465704 /nfs/dbraw/zinc/46/57/04/1094465704.db2.gz GUGSBMHKVSYLLU-UHFFFAOYSA-N -1 1 373.331 4.042 20 0 FIADMM Cc1[nH]nc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1[O-] ZINC001141884285 1094494767 /nfs/dbraw/zinc/49/47/67/1094494767.db2.gz FWGHXFRXPZPTKH-UHFFFAOYSA-N -1 1 356.451 4.097 20 0 FIADMM COc1ccc(Sc2nsc([N-]C(=O)c3ccoc3Cl)n2)cc1 ZINC000192327739 1095069601 /nfs/dbraw/zinc/06/96/01/1095069601.db2.gz PCJMIVGSQPCMDD-UHFFFAOYSA-N -1 1 367.839 4.197 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000522625422 1095198400 /nfs/dbraw/zinc/19/84/00/1095198400.db2.gz DZXXHZGHBGUVKK-HNNXBMFYSA-N -1 1 355.463 4.187 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000509540622 1095741007 /nfs/dbraw/zinc/74/10/07/1095741007.db2.gz KGUUFCIELNPRHY-UHFFFAOYSA-N -1 1 351.296 4.444 20 0 FIADMM Cc1nc(C2CCCC2)sc1C(=O)[N-]c1c(C)onc1OC(F)F ZINC001269192984 1096017635 /nfs/dbraw/zinc/01/76/35/1096017635.db2.gz PIXHQTJHEMOLLV-UHFFFAOYSA-N -1 1 357.382 4.259 20 0 FIADMM O=C([O-])c1cccc(CN2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000414644545 1096303997 /nfs/dbraw/zinc/30/39/97/1096303997.db2.gz ZXYNALJCDLYQQX-GOSISDBHSA-N -1 1 367.342 4.474 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](C4CCCCC4)C3)nc2)[n-]c(=O)c1C ZINC000664329058 1096502821 /nfs/dbraw/zinc/50/28/21/1096502821.db2.gz UVFHDUULMMEOOS-SFHVURJKSA-N -1 1 352.482 4.268 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(F)c1 ZINC000436004536 1098644394 /nfs/dbraw/zinc/64/43/94/1098644394.db2.gz DKFKDKJYJOEONU-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1Cl ZINC000436026902 1098653019 /nfs/dbraw/zinc/65/30/19/1098653019.db2.gz PPSGSSWMHOLQFZ-UHFFFAOYSA-N -1 1 357.884 4.261 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](c2cccnc2)C(C)C)c1 ZINC000436048070 1098676424 /nfs/dbraw/zinc/67/64/24/1098676424.db2.gz DTYNGVWEDAJVKJ-OAHLLOKOSA-N -1 1 363.255 4.236 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000533081938 1098749147 /nfs/dbraw/zinc/74/91/47/1098749147.db2.gz KGPBEXLCYVBYFG-UHFFFAOYSA-N -1 1 374.805 4.150 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2cc(Br)ccc2Cl)n1 ZINC000436206078 1098814956 /nfs/dbraw/zinc/81/49/56/1098814956.db2.gz FNWFRTBAKVILIT-UHFFFAOYSA-N -1 1 359.676 4.453 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000515629046 1098776195 /nfs/dbraw/zinc/77/61/95/1098776195.db2.gz VJLVUUJKGGLCNT-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1 ZINC000436161775 1098780769 /nfs/dbraw/zinc/78/07/69/1098780769.db2.gz CMCAYASNNNIMKT-UHFFFAOYSA-N -1 1 367.417 4.438 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)ccc1F ZINC000436151321 1098789732 /nfs/dbraw/zinc/78/97/32/1098789732.db2.gz DQSCFTOFAPTAEZ-UHFFFAOYSA-N -1 1 361.847 4.010 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(Cl)c1 ZINC000436153528 1098791148 /nfs/dbraw/zinc/79/11/48/1098791148.db2.gz OVHNLONUHWZZPP-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000436494978 1099057626 /nfs/dbraw/zinc/05/76/26/1099057626.db2.gz GQNKKDIALDXLOW-NSHDSACASA-N -1 1 374.799 4.346 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(COc2ccccc2)CC1 ZINC000436489934 1099063509 /nfs/dbraw/zinc/06/35/09/1099063509.db2.gz ZKJRTOPZEMZUJI-UHFFFAOYSA-N -1 1 361.441 4.477 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000436504174 1099067227 /nfs/dbraw/zinc/06/72/27/1099067227.db2.gz KFCLZQHUQDBVBC-UHFFFAOYSA-N -1 1 373.714 4.103 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCCC[C@@H]3OC)n2)cc(Cl)c1[O-] ZINC000436519801 1099075951 /nfs/dbraw/zinc/07/59/51/1099075951.db2.gz BJZNUABFVPVPAB-AAEUAGOBSA-N -1 1 352.818 4.167 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1c1ccsc1 ZINC000436529356 1099084935 /nfs/dbraw/zinc/08/49/35/1099084935.db2.gz QXVGDXZOPSDSGX-ZDUSSCGKSA-N -1 1 352.253 4.194 20 0 FIADMM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccccc1[O-] ZINC000436517627 1099092432 /nfs/dbraw/zinc/09/24/32/1099092432.db2.gz OSHGFAYZRBLVMT-UHFFFAOYSA-N -1 1 356.397 4.302 20 0 FIADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000436544071 1099110594 /nfs/dbraw/zinc/11/05/94/1099110594.db2.gz BCGCZDZOXJXIJX-OAQYLSRUSA-N -1 1 364.420 4.486 20 0 FIADMM CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc2ccccc2cc1[O-] ZINC000436567937 1099118097 /nfs/dbraw/zinc/11/80/97/1099118097.db2.gz ZFCJNBJMZJQFFH-UHFFFAOYSA-N -1 1 360.413 4.097 20 0 FIADMM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436572855 1099121316 /nfs/dbraw/zinc/12/13/16/1099121316.db2.gz GVJMHNHYEWCDMZ-GOSISDBHSA-N -1 1 367.424 4.439 20 0 FIADMM O=C(NCc1csc(-c2ccco2)n1)c1cc2ccccc2cc1[O-] ZINC000436597064 1099129112 /nfs/dbraw/zinc/12/91/12/1099129112.db2.gz OXIGGDYTLBBBIN-UHFFFAOYSA-N -1 1 350.399 4.192 20 0 FIADMM O=C(Nc1nnc(-c2ccsc2)s1)c1ccc2ccccc2c1[O-] ZINC000436581448 1099130885 /nfs/dbraw/zinc/13/08/85/1099130885.db2.gz FEZJEYITKSONEO-UHFFFAOYSA-N -1 1 353.428 4.378 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1nc(Cc2ccccc2)no1 ZINC000436583026 1099132254 /nfs/dbraw/zinc/13/22/54/1099132254.db2.gz GAAQFABGSXWYIF-AWEZNQCLSA-N -1 1 373.412 4.010 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000436588579 1099135246 /nfs/dbraw/zinc/13/52/46/1099135246.db2.gz HYQBFYAHQISGIA-VLIAUNLRSA-N -1 1 365.404 4.287 20 0 FIADMM CCC(=O)c1ccc([O-])c(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC000436648057 1099189430 /nfs/dbraw/zinc/18/94/30/1099189430.db2.gz SNWKKQXRLGMKAO-UHFFFAOYSA-N -1 1 369.808 4.281 20 0 FIADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436669667 1099200516 /nfs/dbraw/zinc/20/05/16/1099200516.db2.gz AYVFMRHIBCHAKI-CQSZACIVSA-N -1 1 362.429 4.326 20 0 FIADMM O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436685023 1099218092 /nfs/dbraw/zinc/21/80/92/1099218092.db2.gz AATCECNKTODFLI-QGZVFWFLSA-N -1 1 371.845 4.196 20 0 FIADMM CCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000436689833 1099222956 /nfs/dbraw/zinc/22/29/56/1099222956.db2.gz RYCPTXACEPZJQC-INIZCTEOSA-N -1 1 365.351 4.251 20 0 FIADMM O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc2ccccc2c1[O-] ZINC000436696512 1099229898 /nfs/dbraw/zinc/22/98/98/1099229898.db2.gz HOUCJIDTVSCCPX-UHFFFAOYSA-N -1 1 367.474 4.240 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000436716462 1099248146 /nfs/dbraw/zinc/24/81/46/1099248146.db2.gz BFUCXVSIQROSIL-INIZCTEOSA-N -1 1 363.816 4.006 20 0 FIADMM Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c1 ZINC000436718751 1099249832 /nfs/dbraw/zinc/24/98/32/1099249832.db2.gz LZLYBNDLDIDGGW-UHFFFAOYSA-N -1 1 359.853 4.346 20 0 FIADMM CCOc1ccc(OCC)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436741047 1099259642 /nfs/dbraw/zinc/25/96/42/1099259642.db2.gz BPKIVFAOVJLALX-UHFFFAOYSA-N -1 1 365.813 4.104 20 0 FIADMM CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436761441 1099277675 /nfs/dbraw/zinc/27/76/75/1099277675.db2.gz ZSBLKRCNLYDJOI-UHFFFAOYSA-N -1 1 368.477 4.179 20 0 FIADMM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc(F)ccc2[O-])C3)cs1 ZINC000436762553 1099278525 /nfs/dbraw/zinc/27/85/25/1099278525.db2.gz CGUPZWCGPXCGHS-UHFFFAOYSA-N -1 1 374.462 4.223 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000436752160 1099286509 /nfs/dbraw/zinc/28/65/09/1099286509.db2.gz QMTXCFGGKVZEIQ-GFCCVEGCSA-N -1 1 353.315 4.180 20 0 FIADMM CCOc1cc(-c2noc(C3(C)CCC3)n2)cc(Br)c1[O-] ZINC000436767031 1099308360 /nfs/dbraw/zinc/30/83/60/1099308360.db2.gz BBRMYIDRCIIHBE-UHFFFAOYSA-N -1 1 353.216 4.045 20 0 FIADMM CC[C@H](c1nnc(NC(=O)c2ccc(OC)cc2[O-])s1)c1ccccc1 ZINC000436816691 1099327963 /nfs/dbraw/zinc/32/79/63/1099327963.db2.gz UIXKPNDALVPJNQ-AWEZNQCLSA-N -1 1 369.446 4.047 20 0 FIADMM O=C(NCc1ccc(OCc2ccccc2F)cc1)c1ccc([O-])cc1F ZINC000436822018 1099349596 /nfs/dbraw/zinc/34/95/96/1099349596.db2.gz ZIZRCVKNAKJBAX-UHFFFAOYSA-N -1 1 369.367 4.179 20 0 FIADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1OCCc2sccc21 ZINC000436824622 1099351313 /nfs/dbraw/zinc/35/13/13/1099351313.db2.gz HXRDEZAFFNMCKF-BUXKBTBVSA-N -1 1 353.443 4.039 20 0 FIADMM CCc1ccc([C@@H]2CCN(C(=O)c3cc(Cl)c([O-])c(OC)c3)C2)cc1 ZINC000436852030 1099368549 /nfs/dbraw/zinc/36/85/49/1099368549.db2.gz NJDVGZSQFZEXQJ-OAHLLOKOSA-N -1 1 359.853 4.246 20 0 FIADMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Cl)cc1[O-] ZINC000436864334 1099375018 /nfs/dbraw/zinc/37/50/18/1099375018.db2.gz NOWYPXNQIBMIBI-SFHVURJKSA-N -1 1 356.784 4.099 20 0 FIADMM CCOc1cc(-c2noc(-c3c[nH]nc3-c3ccoc3)n2)cc(Cl)c1[O-] ZINC000436869459 1099381159 /nfs/dbraw/zinc/38/11/59/1099381159.db2.gz DIWBUXWSTUSQFD-UHFFFAOYSA-N -1 1 372.768 4.144 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)c(F)c1 ZINC000436873487 1099387122 /nfs/dbraw/zinc/38/71/22/1099387122.db2.gz MWHJRYVLOHXBRM-QWRGUYRKSA-N -1 1 350.271 4.270 20 0 FIADMM C[C@@H](Cn1ncc2ccccc21)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436874340 1099387829 /nfs/dbraw/zinc/38/78/29/1099387829.db2.gz TUIDXWOBLQCCBW-NSHDSACASA-N -1 1 354.797 4.249 20 0 FIADMM Cc1cn(-c2ccc(F)cc2)nc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436875887 1099389031 /nfs/dbraw/zinc/38/90/31/1099389031.db2.gz YWHAIJJNRMETOU-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM C[C@H](Oc1cnc2ccccc2c1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436876649 1099392753 /nfs/dbraw/zinc/39/27/53/1099392753.db2.gz AKSFVOQSDSMTDP-NSHDSACASA-N -1 1 351.337 4.270 20 0 FIADMM CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([O-])cc1F ZINC000436880624 1099397827 /nfs/dbraw/zinc/39/78/27/1099397827.db2.gz KGNYLRPOSMAUPL-UHFFFAOYSA-N -1 1 370.193 4.095 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](c3ccc(C)cc3)C(C)C)no2)c1 ZINC000436883622 1099400907 /nfs/dbraw/zinc/40/09/07/1099400907.db2.gz GVWUKQJLBCTIAV-IBGZPJMESA-N -1 1 365.433 4.497 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c([O-])c1 ZINC000436886295 1099402751 /nfs/dbraw/zinc/40/27/51/1099402751.db2.gz HDGPCCBULYPTQD-UHFFFAOYSA-N -1 1 352.268 4.016 20 0 FIADMM CC(C)(C)c1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436890674 1099407240 /nfs/dbraw/zinc/40/72/40/1099407240.db2.gz GAASIFHXBBMVPT-UHFFFAOYSA-N -1 1 373.359 4.270 20 0 FIADMM CC(C)(C)c1nc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2s1 ZINC000436911177 1099417657 /nfs/dbraw/zinc/41/76/57/1099417657.db2.gz FCZRBXVRRBRDJW-UHFFFAOYSA-N -1 1 354.431 4.121 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000436931405 1099430165 /nfs/dbraw/zinc/43/01/65/1099430165.db2.gz BUHVPDVCJCQNFN-QHCPKHFHSA-N -1 1 359.425 4.155 20 0 FIADMM CC[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1 ZINC000436918164 1099432942 /nfs/dbraw/zinc/43/29/42/1099432942.db2.gz GTYRFXIRBUTTFV-CYBMUJFWSA-N -1 1 374.803 4.102 20 0 FIADMM CC[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(F)cc1 ZINC000436918164 1099432949 /nfs/dbraw/zinc/43/29/49/1099432949.db2.gz GTYRFXIRBUTTFV-CYBMUJFWSA-N -1 1 374.803 4.102 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCc2c(Cl)cccc2C1 ZINC000436920005 1099434792 /nfs/dbraw/zinc/43/47/92/1099434792.db2.gz FJLKPDIERUQANV-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM Cc1cc([C@H]2CN(C(=O)c3cc4ccccc4cc3[O-])CCO2)ccc1F ZINC000436918952 1099435254 /nfs/dbraw/zinc/43/52/54/1099435254.db2.gz LKDLAJMWTODSGX-OAQYLSRUSA-N -1 1 365.404 4.207 20 0 FIADMM CCC(C)(C)OCc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436938862 1099450547 /nfs/dbraw/zinc/45/05/47/1099450547.db2.gz KZYDJLKPPUNZGK-UHFFFAOYSA-N -1 1 355.434 4.227 20 0 FIADMM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436942670 1099455276 /nfs/dbraw/zinc/45/52/76/1099455276.db2.gz WPNKNJXUKYTXAK-JTQLQIEISA-N -1 1 364.228 4.028 20 0 FIADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436948346 1099458384 /nfs/dbraw/zinc/45/83/84/1099458384.db2.gz GUHPQOOOMNAFFX-LJQANCHMSA-N -1 1 374.278 4.349 20 0 FIADMM COc1cc(-c2nc(C3(c4cccc(C)c4)CC3)no2)cc(Cl)c1[O-] ZINC000436955358 1099472065 /nfs/dbraw/zinc/47/20/65/1099472065.db2.gz KIEBSZHIHUEHDL-UHFFFAOYSA-N -1 1 356.809 4.493 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3CCN(c4ccccc4Cl)C3)n2)c(F)c1 ZINC000436957375 1099474595 /nfs/dbraw/zinc/47/45/95/1099474595.db2.gz XFQUBZPRGIQIJH-NSHDSACASA-N -1 1 359.788 4.229 20 0 FIADMM Cc1ccccc1C1=CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436960027 1099475452 /nfs/dbraw/zinc/47/54/52/1099475452.db2.gz OWYNBCXFOROZFR-UHFFFAOYSA-N -1 1 358.235 4.003 20 0 FIADMM CC(C)CN1Cc2cccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c2C1 ZINC000436970592 1099477980 /nfs/dbraw/zinc/47/79/80/1099477980.db2.gz GDSWYFAJAATLHB-UHFFFAOYSA-N -1 1 362.832 4.409 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(C)c1 ZINC000437190447 1099694698 /nfs/dbraw/zinc/69/46/98/1099694698.db2.gz XOAVFAZBUFOPBG-UHFFFAOYSA-N -1 1 359.369 4.213 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC000516716627 1099751069 /nfs/dbraw/zinc/75/10/69/1099751069.db2.gz FKBBHDRVIJWWLY-IAGOWNOFSA-N -1 1 367.493 4.102 20 0 FIADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000437316605 1099794617 /nfs/dbraw/zinc/79/46/17/1099794617.db2.gz WAFCZXYVZRNSTM-FUHWJXTLSA-N -1 1 367.832 4.493 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1 ZINC000437328039 1099809215 /nfs/dbraw/zinc/80/92/15/1099809215.db2.gz VLCQKRNIJYOHLI-UHFFFAOYSA-N -1 1 356.447 4.051 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)OC(C)C)ccc1Cl ZINC000437425273 1099909669 /nfs/dbraw/zinc/90/96/69/1099909669.db2.gz YCYNOBMATFAWQF-UHFFFAOYSA-N -1 1 373.883 4.076 20 0 FIADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000080076292 1099926270 /nfs/dbraw/zinc/92/62/70/1099926270.db2.gz YGQVQQFJAMXVTI-HNNXBMFYSA-N -1 1 350.532 4.027 20 0 FIADMM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000517036035 1099997502 /nfs/dbraw/zinc/99/75/02/1099997502.db2.gz XXTFKBWYXKEUHE-ZLENFMNRSA-N -1 1 372.292 4.256 20 0 FIADMM O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1c(F)ccc([O-])c1F ZINC000536753977 1100278293 /nfs/dbraw/zinc/27/82/93/1100278293.db2.gz ADYZYCBVMJLKQX-UHFFFAOYSA-N -1 1 365.339 4.262 20 0 FIADMM COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc(Cl)c1[O-] ZINC000506176919 1100418245 /nfs/dbraw/zinc/41/82/45/1100418245.db2.gz PMTFKRNFNISXMG-MRXNPFEDSA-N -1 1 351.805 4.320 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3nnc(C(C)C)n3c2)cc1 ZINC000438240080 1100525621 /nfs/dbraw/zinc/52/56/21/1100525621.db2.gz TUIHGSQXXYCGOI-AWEZNQCLSA-N -1 1 372.494 4.167 20 0 FIADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1C(=O)OC(C)(C)C ZINC000517782577 1100659462 /nfs/dbraw/zinc/65/94/62/1100659462.db2.gz RSOPOPICNICRSZ-UHFFFAOYSA-N -1 1 363.360 4.186 20 0 FIADMM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000426087583 1100809269 /nfs/dbraw/zinc/80/92/69/1100809269.db2.gz FMDRLCQYTYLUDH-INIZCTEOSA-N -1 1 352.768 4.300 20 0 FIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000438753530 1100896988 /nfs/dbraw/zinc/89/69/88/1100896988.db2.gz IQGWHMBUZLVUPE-UHFFFAOYSA-N -1 1 373.474 4.115 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000438752362 1100904167 /nfs/dbraw/zinc/90/41/67/1100904167.db2.gz GGCQSBWOKJSJNZ-UHFFFAOYSA-N -1 1 363.454 4.394 20 0 FIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(OCC2CC2)c(F)c1 ZINC000438879840 1101008053 /nfs/dbraw/zinc/00/80/53/1101008053.db2.gz HCZGDJSMJHQUHA-JTQLQIEISA-N -1 1 365.351 4.089 20 0 FIADMM CC[C@@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)on1 ZINC000439062659 1101113865 /nfs/dbraw/zinc/11/38/65/1101113865.db2.gz ALHPWPZZWDWFOB-GFCCVEGCSA-N -1 1 361.405 4.379 20 0 FIADMM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000439065411 1101130927 /nfs/dbraw/zinc/13/09/27/1101130927.db2.gz BKETVPSXJIUDLW-CYBMUJFWSA-N -1 1 353.397 4.129 20 0 FIADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2nnc(-c3ccsc3)s2)s1 ZINC000439216059 1101257443 /nfs/dbraw/zinc/25/74/43/1101257443.db2.gz OEDWDWLMTABWDA-QMMMGPOBSA-N -1 1 366.493 4.073 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506546307 1101338570 /nfs/dbraw/zinc/33/85/70/1101338570.db2.gz LWCOOSPPGRHBSH-UHFFFAOYSA-N -1 1 366.442 4.113 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000536989491 1101374027 /nfs/dbraw/zinc/37/40/27/1101374027.db2.gz NOPPUNXAGKSGBR-UHFFFAOYSA-N -1 1 374.506 4.378 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2cnc(-c3ccccc3F)s2)s1 ZINC000518653643 1101396418 /nfs/dbraw/zinc/39/64/18/1101396418.db2.gz VHSPZLKWDMIDQK-UHFFFAOYSA-N -1 1 362.455 4.351 20 0 FIADMM COc1cc(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)cc(Cl)c1[O-] ZINC000460123695 1101617639 /nfs/dbraw/zinc/61/76/39/1101617639.db2.gz GJUFRYZZHVTSNA-BMLIUANNSA-N -1 1 363.816 4.247 20 0 FIADMM CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000055315951 1101636736 /nfs/dbraw/zinc/63/67/36/1101636736.db2.gz ZOTZCXQWKJRTDZ-OALUTQOASA-N -1 1 355.478 4.052 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000055397710 1101652194 /nfs/dbraw/zinc/65/21/94/1101652194.db2.gz LQAUEFQCXSNESN-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM COc1cc(C(=O)NCCCc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000460195145 1101696881 /nfs/dbraw/zinc/69/68/81/1101696881.db2.gz RMCDRHPSROUBIP-UHFFFAOYSA-N -1 1 354.233 4.070 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000509611760 1101701009 /nfs/dbraw/zinc/70/10/09/1101701009.db2.gz UBVSNQLIWGJCJE-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM O=C(NCc1ccccc1OCc1ccccc1)c1cccc([O-])c1F ZINC001625959194 1101713008 /nfs/dbraw/zinc/71/30/08/1101713008.db2.gz DDNDQPPEWSPKSN-UHFFFAOYSA-N -1 1 351.377 4.040 20 0 FIADMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1cncc([O-])c1 ZINC000518988303 1101787628 /nfs/dbraw/zinc/78/76/28/1101787628.db2.gz YKZLUKRJACXVPJ-UHFFFAOYSA-N -1 1 364.367 4.048 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000032097471 1101897312 /nfs/dbraw/zinc/89/73/12/1101897312.db2.gz HGEAXGXXQUDYDM-UHFFFAOYSA-N -1 1 372.446 4.129 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC000032097426 1101898161 /nfs/dbraw/zinc/89/81/61/1101898161.db2.gz AWKPRFMHWCIXDL-UHFFFAOYSA-N -1 1 374.462 4.325 20 0 FIADMM CCN(CC)[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)c1ccccc1 ZINC000519171904 1101984729 /nfs/dbraw/zinc/98/47/29/1101984729.db2.gz NIUCCCPAWVQNPI-KRWDZBQOSA-N -1 1 350.821 4.206 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263186563 1101988481 /nfs/dbraw/zinc/98/84/81/1101988481.db2.gz UXEKDQYUVUJDDS-IAGOWNOFSA-N -1 1 360.498 4.022 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc(Br)s1 ZINC000102748764 1101996695 /nfs/dbraw/zinc/99/66/95/1101996695.db2.gz HRWJSTPHOXJATP-UHFFFAOYSA-N -1 1 370.652 4.104 20 0 FIADMM COc1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)ccc1F ZINC000475826324 1102012670 /nfs/dbraw/zinc/01/26/70/1102012670.db2.gz GLEJSHLCXNTEEA-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000519217630 1102014186 /nfs/dbraw/zinc/01/41/86/1102014186.db2.gz RQBQQOVNZLULJS-UHFFFAOYSA-N -1 1 368.389 4.290 20 0 FIADMM Cc1nsc(NC([O-])=C(Sc2ccc(C)cc2C)c2ccccc2)n1 ZINC000440293087 1102175482 /nfs/dbraw/zinc/17/54/82/1102175482.db2.gz DQAODXQCDMXSTF-QGZVFWFLSA-N -1 1 369.515 4.357 20 0 FIADMM CCC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000519417863 1102182035 /nfs/dbraw/zinc/18/20/35/1102182035.db2.gz YNNUWWMQLMVJSL-KRWDZBQOSA-N -1 1 374.506 4.104 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000105390764 1102206847 /nfs/dbraw/zinc/20/68/47/1102206847.db2.gz HDGUWLMGAQGAMA-UHFFFAOYSA-N -1 1 359.369 4.293 20 0 FIADMM CCc1ccc(-c2ccc(CN[C@@H](Cc3ccc(O)cc3)C(=O)[O-])o2)cc1 ZINC000426653370 1102255999 /nfs/dbraw/zinc/25/59/99/1102255999.db2.gz AYTWBZJORHADNU-FQEVSTJZSA-N -1 1 365.429 4.000 20 0 FIADMM Cc1c(COC(C)(C)C)cccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426656034 1102258495 /nfs/dbraw/zinc/25/84/95/1102258495.db2.gz VYIVWYXDBSMHSS-UHFFFAOYSA-N -1 1 359.495 4.015 20 0 FIADMM CSc1ccc([O-])c(-c2nc(-c3cc(OC4CCC4)ccn3)no2)c1 ZINC000664806351 1102300992 /nfs/dbraw/zinc/30/09/92/1102300992.db2.gz DLKMJFVQHFXUBH-UHFFFAOYSA-N -1 1 355.419 4.157 20 0 FIADMM COc1ccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c(Cl)c1 ZINC000666586660 1102312762 /nfs/dbraw/zinc/31/27/62/1102312762.db2.gz SPCMACARWCMTIL-UHFFFAOYSA-N -1 1 359.853 4.426 20 0 FIADMM CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ncccc1[O-] ZINC001648955637 1102443698 /nfs/dbraw/zinc/44/36/98/1102443698.db2.gz ICEHPFZGUPBDFY-CQSZACIVSA-N -1 1 364.367 4.214 20 0 FIADMM CSc1ccc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)o1 ZINC000440458820 1102580944 /nfs/dbraw/zinc/58/09/44/1102580944.db2.gz HXXBDJVDCRCZIH-UHFFFAOYSA-N -1 1 363.489 4.494 20 0 FIADMM Cc1cc2cc(CN[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])oc2cc1C ZINC000426665930 1102646513 /nfs/dbraw/zinc/64/65/13/1102646513.db2.gz YXNZPSFFZPDQLV-FQEVSTJZSA-N -1 1 362.429 4.316 20 0 FIADMM CSc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000043157233 1102674133 /nfs/dbraw/zinc/67/41/33/1102674133.db2.gz YVJLQUJKXSLGOE-UHFFFAOYSA-N -1 1 370.474 4.241 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(Br)ccc1Cl)c1ccsc1 ZINC000426671681 1102860995 /nfs/dbraw/zinc/86/09/95/1102860995.db2.gz NHVZMGYTPBKDMK-ZDUSSCGKSA-N -1 1 374.687 4.470 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccc(Br)cc1Cl)c1ccsc1 ZINC000426683834 1102918036 /nfs/dbraw/zinc/91/80/36/1102918036.db2.gz VRLTZWGRVAATPJ-CYBMUJFWSA-N -1 1 374.687 4.470 20 0 FIADMM Cc1ccc([C@H](NCc2cc(Br)ccc2Cl)C(=O)[O-])cc1 ZINC000426707135 1102934094 /nfs/dbraw/zinc/93/40/94/1102934094.db2.gz ZYBVYRMRZZCXKM-HNNXBMFYSA-N -1 1 368.658 4.326 20 0 FIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(F)cc2Cl)cc1 ZINC000426727133 1102940131 /nfs/dbraw/zinc/94/01/31/1102940131.db2.gz MXTGQJJMJWKJMQ-QGZVFWFLSA-N -1 1 351.805 4.183 20 0 FIADMM O=C([O-])[C@H](NCc1ccccc1Br)c1cccc(Cl)c1 ZINC000426721235 1102940945 /nfs/dbraw/zinc/94/09/45/1102940945.db2.gz ASNUBPLQMOFYRD-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426713152 1102947938 /nfs/dbraw/zinc/94/79/38/1102947938.db2.gz BVLQXODBTXCFGN-OAHLLOKOSA-N -1 1 354.233 4.226 20 0 FIADMM COc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1O ZINC000426750605 1102967422 /nfs/dbraw/zinc/96/74/22/1102967422.db2.gz OPHPZVGLCFEPAF-CQSZACIVSA-N -1 1 370.232 4.013 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000426756104 1102970309 /nfs/dbraw/zinc/97/03/09/1102970309.db2.gz IAMZIPZMNCZASH-IFXJQAMLSA-N -1 1 352.459 4.362 20 0 FIADMM CC(C)(C)c1ccc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])s1 ZINC000426758933 1102973636 /nfs/dbraw/zinc/97/36/36/1102973636.db2.gz UTEQZSPBDWBIER-KRWDZBQOSA-N -1 1 372.534 4.041 20 0 FIADMM Cc1cc(C)cc(C[C@H](NCc2cc3cc(C)c(C)cc3o2)C(=O)[O-])c1 ZINC000426774869 1102979632 /nfs/dbraw/zinc/97/96/32/1102979632.db2.gz QGWROMFDOHKZAK-FQEVSTJZSA-N -1 1 351.446 4.452 20 0 FIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Oc3cccnc3)c(C)c2)o1 ZINC000426799382 1102998150 /nfs/dbraw/zinc/99/81/50/1102998150.db2.gz IDDHTVMZQPANQP-SFHVURJKSA-N -1 1 366.417 4.389 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(F)ccc1F)c1cccc(Br)c1 ZINC000426810809 1103007155 /nfs/dbraw/zinc/00/71/55/1103007155.db2.gz QGHSQGJBOUQANQ-HNNXBMFYSA-N -1 1 370.193 4.033 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cccc(Cl)c1Cl ZINC000105389904 1103027736 /nfs/dbraw/zinc/02/77/36/1103027736.db2.gz QIGUVZUHZGSHKW-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000426828491 1103028531 /nfs/dbraw/zinc/02/85/31/1103028531.db2.gz WAUZVLPALPCGIF-HNNXBMFYSA-N -1 1 370.193 4.033 20 0 FIADMM CCSc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426831877 1103042162 /nfs/dbraw/zinc/04/21/62/1103042162.db2.gz HDMHBMAQJZYENX-KRWDZBQOSA-N -1 1 351.418 4.382 20 0 FIADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000551284869 1103043514 /nfs/dbraw/zinc/04/35/14/1103043514.db2.gz HAAFBPSMVSKKFD-DNVCBOLYSA-N -1 1 370.474 4.028 20 0 FIADMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477111781 1103133944 /nfs/dbraw/zinc/13/39/44/1103133944.db2.gz YQHOMQCVUWAKGY-MRXNPFEDSA-N -1 1 371.824 4.232 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCSc2ccccc21 ZINC000477118612 1103142748 /nfs/dbraw/zinc/14/27/48/1103142748.db2.gz BBNSCJZZYYIYGQ-HNNXBMFYSA-N -1 1 351.431 4.000 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1c(Cl)ccc(F)c1F ZINC000551467847 1103259523 /nfs/dbraw/zinc/25/95/23/1103259523.db2.gz PCQRWJYNPZMYIS-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1csc(-c2ccc(F)c(F)c2)n1 ZINC000507325834 1103303234 /nfs/dbraw/zinc/30/32/34/1103303234.db2.gz KLDLAZNNPGOVHY-UHFFFAOYSA-N -1 1 350.321 4.185 20 0 FIADMM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC001649000503 1103404182 /nfs/dbraw/zinc/40/41/82/1103404182.db2.gz YVJLPABLUVEYIY-SFHVURJKSA-N -1 1 360.251 4.306 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cccc1-c1ncco1 ZINC000427292864 1103417546 /nfs/dbraw/zinc/41/75/46/1103417546.db2.gz VHSWDXXVIFUDRP-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(-c4ncco4)c3)cc2s1 ZINC000427309049 1103435028 /nfs/dbraw/zinc/43/50/28/1103435028.db2.gz RGKAGYUAXKYMHD-UHFFFAOYSA-N -1 1 371.443 4.061 20 0 FIADMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1F ZINC000507563114 1103504199 /nfs/dbraw/zinc/50/41/99/1103504199.db2.gz GQZGEIKGQNVLMI-UHFFFAOYSA-N -1 1 369.417 4.496 20 0 FIADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1F ZINC000507627441 1103561525 /nfs/dbraw/zinc/56/15/25/1103561525.db2.gz AEIBHCXCPVUBIW-UHFFFAOYSA-N -1 1 369.417 4.496 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(Br)cc3F)no2)c([O-])c1 ZINC000445453628 1103895213 /nfs/dbraw/zinc/89/52/13/1103895213.db2.gz IOIKJLTZELIVOQ-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CC(C)Oc1ccc(Cl)c(-c2nc3cc(Cl)ccc3c(=O)[n-]2)n1 ZINC000519947934 1103966424 /nfs/dbraw/zinc/96/64/24/1103966424.db2.gz XDVOKFLKEIYTIL-UHFFFAOYSA-N -1 1 350.205 4.491 20 0 FIADMM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000112674526 1104393248 /nfs/dbraw/zinc/39/32/48/1104393248.db2.gz CZVHOGLMWJXLFU-CMPLNLGQSA-N -1 1 366.346 4.004 20 0 FIADMM CCCCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2C)c([O-])c1 ZINC000190073097 1104874946 /nfs/dbraw/zinc/87/49/46/1104874946.db2.gz VKAJATOKCYOZAX-UHFFFAOYSA-N -1 1 356.422 4.090 20 0 FIADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000427589437 1104960705 /nfs/dbraw/zinc/96/07/05/1104960705.db2.gz YXQMVFSJWVLTDI-RAXLEYEMSA-N -1 1 360.251 4.330 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(C3CCCC3)s2)c1 ZINC000417586466 1105002035 /nfs/dbraw/zinc/00/20/35/1105002035.db2.gz RJAMIUVEXXBQFG-QGZVFWFLSA-N -1 1 360.479 4.115 20 0 FIADMM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000614622547 1105048463 /nfs/dbraw/zinc/04/84/63/1105048463.db2.gz UIIOCJLOUIFIRT-IONNQARKSA-N -1 1 366.291 4.250 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000193274759 1105072111 /nfs/dbraw/zinc/07/21/11/1105072111.db2.gz XRFAMRGIOBVMEE-QWRGUYRKSA-N -1 1 365.779 4.295 20 0 FIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000022957278 1105206063 /nfs/dbraw/zinc/20/60/63/1105206063.db2.gz BOLLODKYMRAVCY-UHFFFAOYSA-N -1 1 365.760 4.348 20 0 FIADMM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ncccc2[O-])C1 ZINC000427751546 1105267146 /nfs/dbraw/zinc/26/71/46/1105267146.db2.gz FTRICNDKXGTMMM-FZMZJTMJSA-N -1 1 350.340 4.029 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1 ZINC000427795154 1105278349 /nfs/dbraw/zinc/27/83/49/1105278349.db2.gz FOLDRHKUHFHBCK-UHFFFAOYSA-N -1 1 357.168 4.049 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)c2cc(C)ccc2OC)cc(Cl)c1[O-] ZINC000508066518 1105313270 /nfs/dbraw/zinc/31/32/70/1105313270.db2.gz CFDCMDFEUZPLBY-GFCCVEGCSA-N -1 1 363.841 4.252 20 0 FIADMM [O-]c1cccc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000508207576 1105350795 /nfs/dbraw/zinc/35/07/95/1105350795.db2.gz LANOPGYNHJVYOL-INIZCTEOSA-N -1 1 369.795 4.221 20 0 FIADMM CCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C(C)(C)C ZINC001211897370 1106871847 /nfs/dbraw/zinc/87/18/47/1106871847.db2.gz RUINPDUVNWKTJB-LBPRGKRZSA-N -1 1 366.296 4.081 20 0 FIADMM C[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccs1 ZINC000444352177 1106892603 /nfs/dbraw/zinc/89/26/03/1106892603.db2.gz MQWBMUFKCZPLSX-ZDUSSCGKSA-N -1 1 372.490 4.258 20 0 FIADMM CN(Cc1ccc(Br)o1)C(=O)c1cc2ccccc2cc1[O-] ZINC000041396038 1106916334 /nfs/dbraw/zinc/91/63/34/1106916334.db2.gz RGBALLFPXPTIRI-UHFFFAOYSA-N -1 1 360.207 4.173 20 0 FIADMM Cc1nc(-c2ccc(NC[C@@H]3CCCc4ccccc43)nc2)[n-]c(=O)c1C ZINC000301356517 1107002531 /nfs/dbraw/zinc/00/25/31/1107002531.db2.gz KOKSPBCMXLHKSG-KRWDZBQOSA-N -1 1 360.461 4.393 20 0 FIADMM CC1(C)Cc2cccc(Oc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)c2O1 ZINC000301372445 1107007152 /nfs/dbraw/zinc/00/71/52/1107007152.db2.gz VWOFQTXXRXELJD-UHFFFAOYSA-N -1 1 374.400 4.027 20 0 FIADMM Cc1nc(-c2ccc(NC[C@H]3CCCO[C@@H]3C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000301410830 1107022113 /nfs/dbraw/zinc/02/21/13/1107022113.db2.gz YCJTVSIKOZWUNU-QAPCUYQASA-N -1 1 370.497 4.114 20 0 FIADMM COc1cccc(C([N-]c2nc(C(C)C)no2)c2cccc(OC)c2)c1 ZINC000301488585 1107046925 /nfs/dbraw/zinc/04/69/25/1107046925.db2.gz JPFGJYCUFQJEFV-UHFFFAOYSA-N -1 1 353.422 4.412 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](c4ccccc4)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301599983 1107083970 /nfs/dbraw/zinc/08/39/70/1107083970.db2.gz YRIDZFKRZQCWLW-VQIMIIECSA-N -1 1 360.461 4.243 20 0 FIADMM O=C(CSc1nnc(-c2cc3ccccc3o2)o1)c1ccc([O-])cc1 ZINC000530665219 1107221644 /nfs/dbraw/zinc/22/16/44/1107221644.db2.gz PKACHTYDBAANJN-UHFFFAOYSA-N -1 1 352.371 4.163 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](C)C[C@@H]3c3ccco3)nc2)[n-]c(=O)c1C ZINC000302041010 1107272613 /nfs/dbraw/zinc/27/26/13/1107272613.db2.gz NNPIPARNUKNTSC-CXAGYDPISA-N -1 1 364.449 4.432 20 0 FIADMM CC1(C)CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000475483981 1107497049 /nfs/dbraw/zinc/49/70/49/1107497049.db2.gz BMKBPCFBXYPUAC-GOSISDBHSA-N -1 1 372.490 4.252 20 0 FIADMM Cc1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cc1F ZINC000303920261 1107793396 /nfs/dbraw/zinc/79/33/96/1107793396.db2.gz VSDDQVHFGGBAOT-UHFFFAOYSA-N -1 1 374.412 4.117 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)sc2c1)c1ccc2c(c1)CCC2 ZINC000063879358 1107891325 /nfs/dbraw/zinc/89/13/25/1107891325.db2.gz AFKQOKCOPJMZBM-UHFFFAOYSA-N -1 1 370.499 4.463 20 0 FIADMM O=C([N-]c1c(F)cc(F)cc1F)c1ncc(C(F)(F)F)cc1Cl ZINC001126616430 1107910345 /nfs/dbraw/zinc/91/03/45/1107910345.db2.gz QRWBPIPOYMRESF-UHFFFAOYSA-N -1 1 354.637 4.423 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@H]3CC)n2)cc(Br)c1[O-] ZINC000453010242 1108079744 /nfs/dbraw/zinc/07/97/44/1108079744.db2.gz ALMLBUOVFFSALZ-PSASIEDQSA-N -1 1 353.216 4.117 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000444752994 1108151421 /nfs/dbraw/zinc/15/14/21/1108151421.db2.gz LNUKCAVKKRXMSW-UHFFFAOYSA-N -1 1 353.344 4.090 20 0 FIADMM CCN(Cc1cccs1)C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000143796127 1108509955 /nfs/dbraw/zinc/50/99/55/1108509955.db2.gz VGMJQGRSPFZWKA-UHFFFAOYSA-N -1 1 372.519 4.026 20 0 FIADMM Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000445327495 1108652739 /nfs/dbraw/zinc/65/27/39/1108652739.db2.gz GRTDLIIBGBTLQX-UHFFFAOYSA-N -1 1 373.412 4.393 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1F ZINC000016101184 1108678011 /nfs/dbraw/zinc/67/80/11/1108678011.db2.gz BEAJFVGGFCTFOE-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM CCOc1cc(-c2noc(Cc3c(F)cccc3F)n2)cc(Cl)c1[O-] ZINC000445411425 1108721793 /nfs/dbraw/zinc/72/17/93/1108721793.db2.gz JMXMPQKUQQWNJQ-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3OCCc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445412878 1108721903 /nfs/dbraw/zinc/72/19/03/1108721903.db2.gz QVBDPFOZHNSQAZ-QGZVFWFLSA-N -1 1 372.808 4.156 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(NC(C)=O)cc3)n2)cc(Cl)c1[O-] ZINC000445412215 1108722228 /nfs/dbraw/zinc/72/22/28/1108722228.db2.gz MKYIXTAHHYSDGW-UHFFFAOYSA-N -1 1 373.796 4.120 20 0 FIADMM COc1cc(-c2noc(-c3sccc3C)n2)cc(Br)c1[O-] ZINC000445397745 1108725830 /nfs/dbraw/zinc/72/58/30/1108725830.db2.gz LPESGYKFHMGKLV-UHFFFAOYSA-N -1 1 367.224 4.250 20 0 FIADMM CCOc1cc(-c2noc(-c3scnc3CC)n2)cc(Cl)c1[O-] ZINC000445401574 1108728736 /nfs/dbraw/zinc/72/87/36/1108728736.db2.gz KSHNXGBCGUYJDN-UHFFFAOYSA-N -1 1 351.815 4.180 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)c2cnn(C(C)C)c2n1 ZINC000445450164 1108752884 /nfs/dbraw/zinc/75/28/84/1108752884.db2.gz RKMUYTBTQQGXKC-UHFFFAOYSA-N -1 1 369.812 4.397 20 0 FIADMM CCO[C@H](C)c1nc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cs1 ZINC000445451355 1108754633 /nfs/dbraw/zinc/75/46/33/1108754633.db2.gz DNSPYCOXSLCPDE-SECBINFHSA-N -1 1 365.842 4.240 20 0 FIADMM COc1ccc(C(C)(C)c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445451027 1108755320 /nfs/dbraw/zinc/75/53/20/1108755320.db2.gz ZQRHNVHXXFHSAW-UHFFFAOYSA-N -1 1 374.824 4.439 20 0 FIADMM C[C@@H]1CCN(c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)ccn2)C1 ZINC000445451169 1108756141 /nfs/dbraw/zinc/75/61/41/1108756141.db2.gz BLBJXTUYTXWXRY-LLVKDONJSA-N -1 1 356.813 4.004 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)c(F)c1 ZINC000445454560 1108787027 /nfs/dbraw/zinc/78/70/27/1108787027.db2.gz LVRLOABCSAAROA-KRWDZBQOSA-N -1 1 357.360 4.058 20 0 FIADMM Cc1oc(-c2ccsc2)nc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445453926 1108787668 /nfs/dbraw/zinc/78/76/68/1108787668.db2.gz DDUYVLLUWNIJAG-UHFFFAOYSA-N -1 1 357.366 4.197 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3ccccc3OC(F)F)n2)c(F)c1 ZINC000445458213 1108792246 /nfs/dbraw/zinc/79/22/46/1108792246.db2.gz WRMBRKGSWWQSRS-STQMWFEESA-N -1 1 362.307 4.454 20 0 FIADMM [O-]c1ccc(-c2noc(COc3c(Cl)cccc3Cl)n2)c(F)c1 ZINC000445463391 1108797099 /nfs/dbraw/zinc/79/70/99/1108797099.db2.gz OQCAQTXHOQRBJB-UHFFFAOYSA-N -1 1 355.152 4.467 20 0 FIADMM Cc1ccc(C)n1-c1nc(Cc2nc(-c3ccc([O-])cc3F)no2)cs1 ZINC000445463898 1108797373 /nfs/dbraw/zinc/79/73/73/1108797373.db2.gz QZUWFKFANHUBMD-UHFFFAOYSA-N -1 1 370.409 4.036 20 0 FIADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1-c1ccc(C)cc1 ZINC000445479339 1108799737 /nfs/dbraw/zinc/79/97/37/1108799737.db2.gz JOBJNFBHQGGMTO-UHFFFAOYSA-N -1 1 350.353 4.051 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OCC(F)(F)F)c3)n2)cc1F ZINC000445480273 1108801143 /nfs/dbraw/zinc/80/11/43/1108801143.db2.gz LWKOHTOPXSGXDR-UHFFFAOYSA-N -1 1 354.259 4.189 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(OCC4CC4)c(Cl)c3)n2)cc1F ZINC000445476901 1108813844 /nfs/dbraw/zinc/81/38/44/1108813844.db2.gz JRJUAUQYYXESFK-UHFFFAOYSA-N -1 1 361.760 4.086 20 0 FIADMM CCOc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445476553 1108815791 /nfs/dbraw/zinc/81/57/91/1108815791.db2.gz DXDJZZFKHVVXLM-WEVVVXLNSA-N -1 1 356.353 4.159 20 0 FIADMM CCCc1ccc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)C)cc1 ZINC000524262006 1108938151 /nfs/dbraw/zinc/93/81/51/1108938151.db2.gz JNHRSPWZECTUOF-LJQANCHMSA-N -1 1 363.461 4.003 20 0 FIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000445697099 1108956180 /nfs/dbraw/zinc/95/61/80/1108956180.db2.gz NAYJIWAMLFZCGF-VIFPVBQESA-N -1 1 364.216 4.249 20 0 FIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000445701468 1108958227 /nfs/dbraw/zinc/95/82/27/1108958227.db2.gz FQUUFDPABOOYOW-JTQLQIEISA-N -1 1 364.216 4.249 20 0 FIADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000446980062 1109404484 /nfs/dbraw/zinc/40/44/84/1109404484.db2.gz OVTBQYJKAIUOLY-CYBMUJFWSA-N -1 1 362.267 4.166 20 0 FIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)s2)c1-c1cccs1 ZINC000446971626 1109407800 /nfs/dbraw/zinc/40/78/00/1109407800.db2.gz GMVUGVKOEOBDKZ-UHFFFAOYSA-N -1 1 373.912 4.216 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cccc(F)c1F ZINC000447262385 1109489643 /nfs/dbraw/zinc/48/96/43/1109489643.db2.gz DIIWPLMWRPWIDR-UHFFFAOYSA-N -1 1 353.321 4.165 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)c1 ZINC000447262375 1109489654 /nfs/dbraw/zinc/48/96/54/1109489654.db2.gz DSAWJJJVYMORKJ-UHFFFAOYSA-N -1 1 361.463 4.176 20 0 FIADMM C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447477060 1109549348 /nfs/dbraw/zinc/54/93/48/1109549348.db2.gz FDPINFVVHUQYSI-JTQLQIEISA-N -1 1 366.364 4.029 20 0 FIADMM C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447477060 1109549351 /nfs/dbraw/zinc/54/93/51/1109549351.db2.gz FDPINFVVHUQYSI-JTQLQIEISA-N -1 1 366.364 4.029 20 0 FIADMM C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447477061 1109549500 /nfs/dbraw/zinc/54/95/00/1109549500.db2.gz FDPINFVVHUQYSI-SNVBAGLBSA-N -1 1 366.364 4.029 20 0 FIADMM C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447477061 1109549507 /nfs/dbraw/zinc/54/95/07/1109549507.db2.gz FDPINFVVHUQYSI-SNVBAGLBSA-N -1 1 366.364 4.029 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)n2)cc(Cl)c1[O-] ZINC000528169210 1109930807 /nfs/dbraw/zinc/93/08/07/1109930807.db2.gz SHYLSBAMJUHYAZ-YCWTYVPXSA-N -1 1 352.818 4.021 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000538460003 1111150366 /nfs/dbraw/zinc/15/03/66/1111150366.db2.gz QHFUHPTZOSHGFK-ZBFHGGJFSA-N -1 1 372.490 4.171 20 0 FIADMM COc1cccc(-c2nc(CSc3nc(C)c(C)c(=O)[n-]3)cs2)c1 ZINC000538517975 1111168289 /nfs/dbraw/zinc/16/82/89/1111168289.db2.gz FNVIWKVCZDKGSI-UHFFFAOYSA-N -1 1 359.476 4.223 20 0 FIADMM O=C(CCc1ccccc1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022429 1111236465 /nfs/dbraw/zinc/23/64/65/1111236465.db2.gz XSMCYECJNADLPS-UHFFFAOYSA-N -1 1 354.631 4.379 20 0 FIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461620117 1111298705 /nfs/dbraw/zinc/29/87/05/1111298705.db2.gz VCKYZIXDRCXTLQ-MRXNPFEDSA-N -1 1 374.506 4.138 20 0 FIADMM O=C(CC[C@H]1CCCCO1)Nc1c([O-])cc(Br)cc1Cl ZINC000552025613 1111315758 /nfs/dbraw/zinc/31/57/58/1111315758.db2.gz DVSIMSQWCUTUJX-SNVBAGLBSA-N -1 1 362.651 4.096 20 0 FIADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000478075574 1111670768 /nfs/dbraw/zinc/67/07/68/1111670768.db2.gz LKMSOWIAAAMHDG-QUCCMNQESA-N -1 1 372.490 4.108 20 0 FIADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc(Br)c([O-])c1 ZINC000553000217 1111878531 /nfs/dbraw/zinc/87/85/31/1111878531.db2.gz VTEVCNSHAQKBSK-SNVBAGLBSA-N -1 1 362.214 4.100 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000479519970 1112058690 /nfs/dbraw/zinc/05/86/90/1112058690.db2.gz YDSNXKWHAUWDMB-UHFFFAOYSA-N -1 1 358.366 4.116 20 0 FIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000479571309 1112076203 /nfs/dbraw/zinc/07/62/03/1112076203.db2.gz YJQSBQPRLIAPGI-UHFFFAOYSA-N -1 1 357.406 4.302 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898418656 1112231389 /nfs/dbraw/zinc/23/13/89/1112231389.db2.gz WICYRSWNSHAVLN-FQEVSTJZSA-N -1 1 360.413 4.013 20 0 FIADMM Cc1ccc([C@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)c(C)c1 ZINC000480551345 1112472437 /nfs/dbraw/zinc/47/24/37/1112472437.db2.gz IXYQLHYBWBHAHY-IBGZPJMESA-N -1 1 374.488 4.472 20 0 FIADMM CCc1oc(C(=O)[N-]c2cc(Cl)ccc2SC)cc1C(=O)OC ZINC000554874373 1112540804 /nfs/dbraw/zinc/54/08/04/1112540804.db2.gz QFUYGAHJNCTIMP-UHFFFAOYSA-N -1 1 353.827 4.256 20 0 FIADMM CC(C)CCN1Cc2cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c2C1 ZINC000899765302 1112985778 /nfs/dbraw/zinc/98/57/78/1112985778.db2.gz DCMKGKDNASHFDL-KRWDZBQOSA-N -1 1 360.498 4.124 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000555887244 1113047956 /nfs/dbraw/zinc/04/79/56/1113047956.db2.gz DUNPJIBLHRASFR-CQSZACIVSA-N -1 1 367.474 4.361 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(Cl)c1 ZINC000481953242 1113140332 /nfs/dbraw/zinc/14/03/32/1113140332.db2.gz WQUCBVAOHYUIAV-UHFFFAOYSA-N -1 1 361.797 4.093 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c(C)s1 ZINC000481960586 1113141529 /nfs/dbraw/zinc/14/15/29/1113141529.db2.gz XMIUABZQKWCTMV-UHFFFAOYSA-N -1 1 355.456 4.236 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1Cl ZINC000481973958 1113143423 /nfs/dbraw/zinc/14/34/23/1113143423.db2.gz BIDQYTFFMBYVER-UHFFFAOYSA-N -1 1 366.870 4.223 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1 ZINC000481978497 1113147200 /nfs/dbraw/zinc/14/72/00/1113147200.db2.gz HRRDKKYCJRJYPA-UHFFFAOYSA-N -1 1 367.467 4.280 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1ccccc1Br ZINC000559159870 1113207523 /nfs/dbraw/zinc/20/75/23/1113207523.db2.gz HWKBVTJXKZOAAS-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000482533847 1113289052 /nfs/dbraw/zinc/28/90/52/1113289052.db2.gz MNENGICCWHGIKS-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM CCOc1cc(C(=O)Nc2cnn([C@H](C)CC)c2C)cc(Cl)c1[O-] ZINC000482762990 1113354401 /nfs/dbraw/zinc/35/44/01/1113354401.db2.gz VWDXFHDHZNKHAK-SNVBAGLBSA-N -1 1 351.834 4.173 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)c1cc(C2CC2)[nH]c1C1CC1 ZINC000908717727 1113688708 /nfs/dbraw/zinc/68/87/08/1113688708.db2.gz NIPLRKLYAQLSMO-UHFFFAOYSA-N -1 1 361.239 4.490 20 0 FIADMM Cc1cc(F)ccc1C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000428722333 1114010938 /nfs/dbraw/zinc/01/09/38/1114010938.db2.gz PGWAFPVDMKOHGM-UHFFFAOYSA-N -1 1 357.454 4.224 20 0 FIADMM Cc1ccccc1C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000488970518 1114027033 /nfs/dbraw/zinc/02/70/33/1114027033.db2.gz MUGMIVJBKWKEIL-UHFFFAOYSA-N -1 1 374.278 4.483 20 0 FIADMM CCOc1cc(C(=O)N2Cc3cccc(Cl)c3C2)cc(Cl)c1[O-] ZINC000489184630 1114065671 /nfs/dbraw/zinc/06/56/71/1114065671.db2.gz FOGZRBBGZBOJMH-UHFFFAOYSA-N -1 1 352.217 4.254 20 0 FIADMM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(F)cc(Br)c2F)on1 ZINC000489388597 1114096967 /nfs/dbraw/zinc/09/69/67/1114096967.db2.gz IQBXRIDEBQGWNS-SSDOTTSWSA-N -1 1 359.170 4.481 20 0 FIADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000490184341 1114225534 /nfs/dbraw/zinc/22/55/34/1114225534.db2.gz JAVDCLNTEYSUEZ-UHFFFAOYSA-N -1 1 356.451 4.097 20 0 FIADMM CCOc1cc(C(=O)NCc2ccc(C(C)(F)F)cc2)cc(Cl)c1[O-] ZINC000490224524 1114239024 /nfs/dbraw/zinc/23/90/24/1114239024.db2.gz XYXQKTIPAUDAPE-UHFFFAOYSA-N -1 1 369.795 4.486 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc(-c2ccccc2)on1 ZINC000490299726 1114264384 /nfs/dbraw/zinc/26/43/84/1114264384.db2.gz JUUXIUXBQVDJFT-HJWRWDBZSA-N -1 1 364.386 4.209 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2ccc(F)cc2C)cc(Cl)c1[O-] ZINC000490338041 1114270008 /nfs/dbraw/zinc/27/00/08/1114270008.db2.gz WLGAPHONQNPZJW-UHFFFAOYSA-N -1 1 351.805 4.164 20 0 FIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1c(F)cccc1Cl ZINC000490869834 1114344185 /nfs/dbraw/zinc/34/41/85/1114344185.db2.gz GNCANTZLYKIBRD-QMMMGPOBSA-N -1 1 372.621 4.438 20 0 FIADMM O=C([N-]NC(=O)c1ccccc1F)c1cc2sc3ccccc3c2s1 ZINC000029634924 1114344492 /nfs/dbraw/zinc/34/44/92/1114344492.db2.gz FHKDJAOMFSKGGP-UHFFFAOYSA-N -1 1 370.430 4.330 20 0 FIADMM CCCCn1c(C)c(C)nc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000029626987 1114345486 /nfs/dbraw/zinc/34/54/86/1114345486.db2.gz JPJBWUOYRLPICL-UHFFFAOYSA-N -1 1 358.463 4.404 20 0 FIADMM O=C(Nc1nc(C2CCCCCC2)cs1)c1cnc(C2CC2)[n-]c1=O ZINC000913425637 1114349713 /nfs/dbraw/zinc/34/97/13/1114349713.db2.gz ZZWUSZRZPAZYFO-UHFFFAOYSA-N -1 1 358.467 4.206 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000571330890 1114456812 /nfs/dbraw/zinc/45/68/12/1114456812.db2.gz GMFNRJHQLWSCIZ-UHFFFAOYSA-N -1 1 363.291 4.052 20 0 FIADMM O=C([O-])c1cccc2c1CCN(CCCc1ccccc1Br)C2 ZINC000571896507 1114544574 /nfs/dbraw/zinc/54/45/74/1114544574.db2.gz CWDFTTBZEIWZOY-UHFFFAOYSA-N -1 1 374.278 4.138 20 0 FIADMM CCOc1cc(C(=O)N2CCC(c3cccc(N)c3)CC2)cc(Cl)c1[O-] ZINC000572407089 1114635269 /nfs/dbraw/zinc/63/52/69/1114635269.db2.gz CITUTRLUMGHYCC-UHFFFAOYSA-N -1 1 374.868 4.046 20 0 FIADMM O=C([O-])c1sccc1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000572967978 1114939715 /nfs/dbraw/zinc/93/97/15/1114939715.db2.gz WNTZWCICYZKKFO-LBPRGKRZSA-N -1 1 372.273 4.406 20 0 FIADMM CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000590987448 1115006259 /nfs/dbraw/zinc/00/62/59/1115006259.db2.gz GZTFYOGOCMIEOQ-OALUTQOASA-N -1 1 372.509 4.211 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1sccc1OC(F)F ZINC000591151633 1115030330 /nfs/dbraw/zinc/03/03/30/1115030330.db2.gz IFJKFNHDZNCNMV-UHFFFAOYSA-N -1 1 353.375 4.120 20 0 FIADMM Cc1ccc(F)c(NC(=S)N[N-]C(=O)c2c(Cl)cccc2Cl)c1 ZINC000057970687 1115050156 /nfs/dbraw/zinc/05/01/56/1115050156.db2.gz OQHBOKNGZCAVLA-UHFFFAOYSA-N -1 1 372.252 4.072 20 0 FIADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000573507764 1115133840 /nfs/dbraw/zinc/13/38/40/1115133840.db2.gz NCYJZHWROQSTBM-UHFFFAOYSA-N -1 1 362.476 4.193 20 0 FIADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)(C)C ZINC000591804910 1115141003 /nfs/dbraw/zinc/14/10/03/1115141003.db2.gz RQWFWUMNHXVQST-SFHVURJKSA-N -1 1 374.506 4.042 20 0 FIADMM Cc1ccc(C(=O)C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)c(C)c1 ZINC000573783027 1115186425 /nfs/dbraw/zinc/18/64/25/1115186425.db2.gz VMJAQJVFRYSOGH-UHFFFAOYSA-N -1 1 351.446 4.097 20 0 FIADMM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cc(Cl)sc1Cl ZINC000592820118 1115267001 /nfs/dbraw/zinc/26/70/01/1115267001.db2.gz JCZPPGJXDHRDAD-JTQLQIEISA-N -1 1 366.266 4.160 20 0 FIADMM CCOc1cc(-c2noc(-c3ccnn3CC(C)C)n2)cc(Cl)c1[O-] ZINC000574810629 1115496522 /nfs/dbraw/zinc/49/65/22/1115496522.db2.gz KWJSOJZRYJBQNF-UHFFFAOYSA-N -1 1 362.817 4.014 20 0 FIADMM CC[C@@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)CC(F)(F)F ZINC001212185157 1115699704 /nfs/dbraw/zinc/69/97/04/1115699704.db2.gz RVTKJWZHTULLFC-SNVBAGLBSA-N -1 1 367.364 4.137 20 0 FIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000599926184 1115856282 /nfs/dbraw/zinc/85/62/82/1115856282.db2.gz QITZBYSEROZKPN-UHFFFAOYSA-N -1 1 357.406 4.302 20 0 FIADMM CC(C)[C@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000171598386 1115872403 /nfs/dbraw/zinc/87/24/03/1115872403.db2.gz IRCJSHMSBMYYEF-QWHCGFSZSA-N -1 1 364.540 4.000 20 0 FIADMM Cc1ccc(C(=O)[C@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C ZINC000605446522 1115896233 /nfs/dbraw/zinc/89/62/33/1115896233.db2.gz GFTFCUJOZBSAEV-JTQLQIEISA-N -1 1 356.369 4.181 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000606828385 1115974038 /nfs/dbraw/zinc/97/40/38/1115974038.db2.gz QKAZLLWSYKWHMW-UHFFFAOYSA-N -1 1 363.454 4.394 20 0 FIADMM CC(C)(C)CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000606876232 1115979872 /nfs/dbraw/zinc/97/98/72/1115979872.db2.gz ZRHNBDMXTGXAHA-UHFFFAOYSA-N -1 1 374.506 4.044 20 0 FIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)cc1 ZINC000607331071 1116019608 /nfs/dbraw/zinc/01/96/08/1116019608.db2.gz OZFWNONXJIOHEY-UHFFFAOYSA-N -1 1 373.405 4.427 20 0 FIADMM Cc1cc(C)c2c(c1)OC/C(=C/c1ccc([O-])c(Br)c1)C2=O ZINC000063411727 1116060783 /nfs/dbraw/zinc/06/07/83/1116060783.db2.gz OQWREAJSULTUML-QPEQYQDCSA-N -1 1 359.219 4.430 20 0 FIADMM FC(F)(F)C1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC1 ZINC000173420649 1116062874 /nfs/dbraw/zinc/06/28/74/1116062874.db2.gz YRRLHLXIRQXTFS-UHFFFAOYSA-N -1 1 362.465 4.295 20 0 FIADMM CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3c([O-])cccc3F)cc2)no1 ZINC000608365788 1116102362 /nfs/dbraw/zinc/10/23/62/1116102362.db2.gz JLJKECOQAACOHT-UHFFFAOYSA-N -1 1 369.396 4.422 20 0 FIADMM C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1c([O-])cccc1F ZINC000608365873 1116102784 /nfs/dbraw/zinc/10/27/84/1116102784.db2.gz LBAWWPIEKIISIU-VIFPVBQESA-N -1 1 370.243 4.413 20 0 FIADMM O=C(NCCCCC1CCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000608466431 1116111777 /nfs/dbraw/zinc/11/17/77/1116111777.db2.gz CHTWYNAQOURQFT-UHFFFAOYSA-N -1 1 372.509 4.357 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc(Cl)c1[O-] ZINC000456085085 1116155870 /nfs/dbraw/zinc/15/58/70/1116155870.db2.gz HKNWKRJSBAHQCV-KOLCDFICSA-N -1 1 365.779 4.247 20 0 FIADMM CCC(CC)[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000534165180 1116165580 /nfs/dbraw/zinc/16/55/80/1116165580.db2.gz FDZAKMKJUFXVFC-OAHLLOKOSA-N -1 1 374.506 4.498 20 0 FIADMM O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)c1c(F)ccc([O-])c1F ZINC000457104689 1116248453 /nfs/dbraw/zinc/24/84/53/1116248453.db2.gz YIVRNEWRRKLVQB-WCQYABFASA-N -1 1 351.780 4.390 20 0 FIADMM C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000535167520 1116276260 /nfs/dbraw/zinc/27/62/60/1116276260.db2.gz NZNXGFPUGTYYQG-GFCCVEGCSA-N -1 1 355.825 4.253 20 0 FIADMM Cc1ccc(NC(=O)[C@@H](C)C2CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000457453511 1116279984 /nfs/dbraw/zinc/27/99/84/1116279984.db2.gz KWTKTRWDPSNDFK-HNNXBMFYSA-N -1 1 372.490 4.171 20 0 FIADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cnc(-c2cccnc2)s1 ZINC000761406125 1116356938 /nfs/dbraw/zinc/35/69/38/1116356938.db2.gz MHKBAVRNNCMRRF-UHFFFAOYSA-N -1 1 371.491 4.357 20 0 FIADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)Cc1cccs1 ZINC000462494307 1116361709 /nfs/dbraw/zinc/36/17/09/1116361709.db2.gz YEFMAZWACOSJBO-MRVPVSSYSA-N -1 1 370.348 4.274 20 0 FIADMM COC(=O)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccsc1 ZINC000539707800 1116368296 /nfs/dbraw/zinc/36/82/96/1116368296.db2.gz RWOWRZQRABXLKA-HNNXBMFYSA-N -1 1 372.471 4.226 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000543917567 1116372427 /nfs/dbraw/zinc/37/24/27/1116372427.db2.gz DROJPOFLSNWZLD-UHFFFAOYSA-N -1 1 359.451 4.107 20 0 FIADMM O=S(=O)([N-]CCCc1cccs1)c1cc(Cl)sc1Cl ZINC000539857299 1116391705 /nfs/dbraw/zinc/39/17/05/1116391705.db2.gz AMHTUIFESFXTIR-UHFFFAOYSA-N -1 1 356.321 4.028 20 0 FIADMM COc1ccccc1-c1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000539934086 1117756204 /nfs/dbraw/zinc/75/62/04/1117756204.db2.gz LQDRGTAJHTUSBE-UHFFFAOYSA-N -1 1 362.357 4.055 20 0 FIADMM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1c(F)ccc([O-])c1F ZINC000540567035 1118124264 /nfs/dbraw/zinc/12/42/64/1118124264.db2.gz LDWZTJBMPGAEDZ-UHFFFAOYSA-N -1 1 365.339 4.262 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000540714177 1118210777 /nfs/dbraw/zinc/21/07/77/1118210777.db2.gz CBWGHBCGHKQWLX-AWEZNQCLSA-N -1 1 359.495 4.350 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)cc1 ZINC000541165614 1118411527 /nfs/dbraw/zinc/41/15/27/1118411527.db2.gz QPZRAWUJMPZLKT-UHFFFAOYSA-N -1 1 351.855 4.296 20 0 FIADMM CCc1onc(C)c1[N-]C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000542226892 1118858719 /nfs/dbraw/zinc/85/87/19/1118858719.db2.gz GYOYQQHZFOGDGV-UHFFFAOYSA-N -1 1 365.311 4.472 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)ccc1F ZINC000303420330 1118932461 /nfs/dbraw/zinc/93/24/61/1118932461.db2.gz AHMRELCZLNSJIC-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669933153 1118934859 /nfs/dbraw/zinc/93/48/59/1118934859.db2.gz JFIURJMMGFIQKI-KRWDZBQOSA-N -1 1 371.305 4.261 20 0 FIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000172900841 1118989589 /nfs/dbraw/zinc/98/95/89/1118989589.db2.gz HNLANWAQTIRXJP-UHFFFAOYSA-N -1 1 355.381 4.081 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c(Cl)n1 ZINC000800838593 1119082171 /nfs/dbraw/zinc/08/21/71/1119082171.db2.gz GMJSHKNENMJEBM-UHFFFAOYSA-N -1 1 367.204 4.435 20 0 FIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000006316077 1119440437 /nfs/dbraw/zinc/44/04/37/1119440437.db2.gz BHPBHRKFSXFSGT-UHFFFAOYSA-N -1 1 372.490 4.494 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000007417385 1119480298 /nfs/dbraw/zinc/48/02/98/1119480298.db2.gz NQBBBBSSEXMDBN-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000152828956 1119517893 /nfs/dbraw/zinc/51/78/93/1119517893.db2.gz HQONTKUEJKEWKQ-SFHVURJKSA-N -1 1 372.469 4.058 20 0 FIADMM C[C@@H](SCC(=O)Nc1ccc([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000182876145 1119561636 /nfs/dbraw/zinc/56/16/36/1119561636.db2.gz YTUCGYPNRDNWAE-SNVBAGLBSA-N -1 1 361.854 4.355 20 0 FIADMM Cc1c(=O)[n-]c(SCc2cnn(-c3ccccc3)c2)nc1-c1ccccc1 ZINC000184871186 1119627409 /nfs/dbraw/zinc/62/74/09/1119627409.db2.gz DCLHXPRULZOMMU-UHFFFAOYSA-N -1 1 374.469 4.223 20 0 FIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185278369 1119652055 /nfs/dbraw/zinc/65/20/55/1119652055.db2.gz VUHWUQABILMAEU-UHFFFAOYSA-N -1 1 365.405 4.067 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccco1)C1CCCC1 ZINC000220086400 1119736010 /nfs/dbraw/zinc/73/60/10/1119736010.db2.gz FUPULLFQQULQRY-UHFFFAOYSA-N -1 1 364.239 4.333 20 0 FIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)ccc1C ZINC000187057622 1119763898 /nfs/dbraw/zinc/76/38/98/1119763898.db2.gz PVGRIFCJKGHMQO-UHFFFAOYSA-N -1 1 372.446 4.117 20 0 FIADMM O=C(Cc1ccc(F)cc1Br)Nc1ccc([O-])c(Cl)c1 ZINC000187453019 1119783936 /nfs/dbraw/zinc/78/39/36/1119783936.db2.gz JKFXIRSNQZDPNA-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM CCc1ccc(-c2nc(CSc3nc(C(=O)OC)c[n-]3)cs2)cc1 ZINC000187585038 1119790771 /nfs/dbraw/zinc/79/07/71/1119790771.db2.gz SZHWQHVQMPAJNO-UHFFFAOYSA-N -1 1 359.476 4.175 20 0 FIADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000494598419 1119991196 /nfs/dbraw/zinc/99/11/96/1119991196.db2.gz FEBFADBPODWTOE-ZDUSSCGKSA-N -1 1 351.493 4.387 20 0 FIADMM CSc1ccc(Cl)cc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000195385122 1120153030 /nfs/dbraw/zinc/15/30/30/1120153030.db2.gz KJKJSPCTSQCFGC-UHFFFAOYSA-N -1 1 362.867 4.228 20 0 FIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2C1 ZINC000542516885 1120339187 /nfs/dbraw/zinc/33/91/87/1120339187.db2.gz NVFRZKUESUBBSV-UHFFFAOYSA-N -1 1 362.470 4.051 20 0 FIADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000227870431 1120406997 /nfs/dbraw/zinc/40/69/97/1120406997.db2.gz NYMJETDGTJYKSK-UHFFFAOYSA-N -1 1 366.280 4.047 20 0 FIADMM Cc1cccc(-c2cncc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2)c1 ZINC000495166423 1120520384 /nfs/dbraw/zinc/52/03/84/1120520384.db2.gz IOWXRQAMPBVLAN-UHFFFAOYSA-N -1 1 370.412 4.405 20 0 FIADMM CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC000153455773 1120776853 /nfs/dbraw/zinc/77/68/53/1120776853.db2.gz UKWKXYACOXWTBO-UHFFFAOYSA-N -1 1 368.220 4.045 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)cc1O ZINC000762455868 1120910557 /nfs/dbraw/zinc/91/05/57/1120910557.db2.gz LPPUORZZIHZZAJ-UHFFFAOYSA-N -1 1 368.867 4.073 20 0 FIADMM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1 ZINC000762600527 1120937444 /nfs/dbraw/zinc/93/74/44/1120937444.db2.gz XLMAIFMAAKUNFR-UHFFFAOYSA-N -1 1 368.458 4.264 20 0 FIADMM CC[C@H](C)CN(CC)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000176629174 1121002421 /nfs/dbraw/zinc/00/24/21/1121002421.db2.gz GNILPFMQVKRQOM-AWEZNQCLSA-N -1 1 360.527 4.201 20 0 FIADMM [O-]c1c(-c2nc(-c3ccc(Br)cn3)no2)ccc2ccccc21 ZINC000322342984 1121074469 /nfs/dbraw/zinc/07/44/69/1121074469.db2.gz BQYDCDGJTCSJLO-UHFFFAOYSA-N -1 1 368.190 4.420 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000032585643 1121110996 /nfs/dbraw/zinc/11/09/96/1121110996.db2.gz ZCDIDKRGSGOSST-UHFFFAOYSA-N -1 1 368.188 4.396 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1occc1COc1ccccc1 ZINC000041841032 1121144456 /nfs/dbraw/zinc/14/44/56/1121144456.db2.gz XNFSSQZCNBYSEL-UHFFFAOYSA-N -1 1 367.386 4.222 20 0 FIADMM COc1ccc(C=O)cc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000763178711 1121223961 /nfs/dbraw/zinc/22/39/61/1121223961.db2.gz QQAYDARVKAACST-UHFFFAOYSA-N -1 1 366.442 4.271 20 0 FIADMM Cc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412190 1121472813 /nfs/dbraw/zinc/47/28/13/1121472813.db2.gz CPBCWQBLUXQYDA-UHFFFAOYSA-N -1 1 360.479 4.171 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1C ZINC000063879243 1121591805 /nfs/dbraw/zinc/59/18/05/1121591805.db2.gz VJKWOCCKOUJBMX-UHFFFAOYSA-N -1 1 374.487 4.292 20 0 FIADMM Cc1c(NC(=O)c2cc3ccccc3cc2[O-])cccc1C(=O)N1CCCC1 ZINC000124193907 1121670677 /nfs/dbraw/zinc/67/06/77/1121670677.db2.gz HNNDHFWEAYUIPS-UHFFFAOYSA-N -1 1 374.440 4.342 20 0 FIADMM C[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000073445756 1121930489 /nfs/dbraw/zinc/93/04/89/1121930489.db2.gz FJQMBSVCXWZSIP-INIZCTEOSA-N -1 1 351.446 4.007 20 0 FIADMM COc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000213788912 1122012056 /nfs/dbraw/zinc/01/20/56/1122012056.db2.gz BWHJZOBJTIIPKE-HJWRWDBZSA-N -1 1 358.246 4.415 20 0 FIADMM COCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000671901210 1122192336 /nfs/dbraw/zinc/19/23/36/1122192336.db2.gz QFPGHTNCMALYLM-OAHLLOKOSA-N -1 1 372.223 4.346 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc(Cl)c1[O-] ZINC000671931490 1122205525 /nfs/dbraw/zinc/20/55/25/1122205525.db2.gz HMLYABGAUGCMBK-UHFFFAOYSA-N -1 1 371.824 4.191 20 0 FIADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000497864066 1122445232 /nfs/dbraw/zinc/44/52/32/1122445232.db2.gz IMDLGOPGHSLHSK-UHFFFAOYSA-N -1 1 374.437 4.270 20 0 FIADMM O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670418120 1122479074 /nfs/dbraw/zinc/47/90/74/1122479074.db2.gz WXWNHEHLGQEMDN-UHFFFAOYSA-N -1 1 365.229 4.404 20 0 FIADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccc(F)cc1 ZINC000129627031 1122652413 /nfs/dbraw/zinc/65/24/13/1122652413.db2.gz PUOMHUFEBOYVHX-UHFFFAOYSA-N -1 1 359.788 4.185 20 0 FIADMM [O-]c1ccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c(F)c1 ZINC000131948654 1123203368 /nfs/dbraw/zinc/20/33/68/1123203368.db2.gz ZEXAIGNDLIBXMS-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CCc1noc(C)c1[N-]C(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000132665375 1123321804 /nfs/dbraw/zinc/32/18/04/1123321804.db2.gz QRDFABVGCJKKPD-UHFFFAOYSA-N -1 1 368.437 4.018 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)ccc1OC(C)C ZINC000499282672 1123406775 /nfs/dbraw/zinc/40/67/75/1123406775.db2.gz KPFGHEPSVZIFSC-UHFFFAOYSA-N -1 1 372.446 4.238 20 0 FIADMM CCC/C(C)=C\C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920290988 1123439545 /nfs/dbraw/zinc/43/95/45/1123439545.db2.gz RNMFLTHUZUFTQV-SQFISAMPSA-N -1 1 358.463 4.172 20 0 FIADMM CCCOc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1OC ZINC000920451556 1123458739 /nfs/dbraw/zinc/45/87/39/1123458739.db2.gz DRKSXLPLQBYRIN-GFCCVEGCSA-N -1 1 363.841 4.334 20 0 FIADMM CCC/C=C\C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920462270 1123459498 /nfs/dbraw/zinc/45/94/98/1123459498.db2.gz AWGCKBLYMDEATC-WDZFZDKYSA-N -1 1 358.463 4.091 20 0 FIADMM Cc1ccc(-c2ccsc2C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000076946858 1123642124 /nfs/dbraw/zinc/64/21/24/1123642124.db2.gz IHYLDIFFMGYEFK-UHFFFAOYSA-N -1 1 352.341 4.113 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000134675185 1123660089 /nfs/dbraw/zinc/66/00/89/1123660089.db2.gz BYYXIQSBZMMUDY-UHFFFAOYSA-N -1 1 368.458 4.330 20 0 FIADMM CCOc1cc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000077256820 1123661150 /nfs/dbraw/zinc/66/11/50/1123661150.db2.gz MZIHISZPVBYUIN-UHFFFAOYSA-N -1 1 351.189 4.001 20 0 FIADMM Cc1nc(NC(=O)CC2CCCCCC2)sc1-c1n[n-]c(=S)n1C ZINC000175666918 1123948219 /nfs/dbraw/zinc/94/82/19/1123948219.db2.gz KOCYCCQGGARTGP-UHFFFAOYSA-N -1 1 365.528 4.209 20 0 FIADMM Cc1ccc(NC(=O)C[C@H](C)C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000068015828 1124018291 /nfs/dbraw/zinc/01/82/91/1124018291.db2.gz DJYXZIXURCKICP-HNNXBMFYSA-N -1 1 372.490 4.171 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2cccc3ncccc32)c(Cl)cc1Cl ZINC000179644360 1124020239 /nfs/dbraw/zinc/02/02/39/1124020239.db2.gz AQDNEKVUSHISIS-UHFFFAOYSA-N -1 1 368.245 4.046 20 0 FIADMM Cc1noc([N-]C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1 ZINC000615712482 1124090124 /nfs/dbraw/zinc/09/01/24/1124090124.db2.gz ZLRWVIMVYTYWLH-UHFFFAOYSA-N -1 1 362.625 4.227 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1cc(F)ccc1F ZINC000542734845 1124173796 /nfs/dbraw/zinc/17/37/96/1124173796.db2.gz SCCIENKSQCWYRJ-UHFFFAOYSA-N -1 1 353.724 4.357 20 0 FIADMM COc1ccc(-c2nnc([N-]C(=O)c3nc(C(C)(C)C)cs3)s2)cc1 ZINC001127585662 1124221295 /nfs/dbraw/zinc/22/12/95/1124221295.db2.gz ABTCSASKAUOANA-UHFFFAOYSA-N -1 1 374.491 4.220 20 0 FIADMM O=C([N-]CCCSCc1csc(C2CCCC2)n1)C(F)(F)F ZINC000180784397 1124430619 /nfs/dbraw/zinc/43/06/19/1124430619.db2.gz YDSCHTJESAEECU-UHFFFAOYSA-N -1 1 352.447 4.103 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cc2ccccc2o1 ZINC000084936133 1124703053 /nfs/dbraw/zinc/70/30/53/1124703053.db2.gz RNFLGLGRHIDWQP-LJQANCHMSA-N -1 1 353.399 4.094 20 0 FIADMM Cc1csc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059332265 221125581 /nfs/dbraw/zinc/12/55/81/221125581.db2.gz IOOIVKARLYMHRD-UHFFFAOYSA-N -1 1 362.501 4.404 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911303 221145446 /nfs/dbraw/zinc/14/54/46/221145446.db2.gz HWANYWCLDJGALS-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM O=S(=O)([N-]Cc1ccc(F)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000107529075 222396407 /nfs/dbraw/zinc/39/64/07/222396407.db2.gz CSMZKSRRDKJHES-UHFFFAOYSA-N -1 1 368.644 4.264 20 0 FIADMM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc([O-])cc1F ZINC000186108638 567876653 /nfs/dbraw/zinc/87/66/53/567876653.db2.gz HRBQYMZQOSPXJT-UHFFFAOYSA-N -1 1 367.764 4.095 20 0 FIADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(Cl)c(Cl)c1 ZINC000006553334 568404413 /nfs/dbraw/zinc/40/44/13/568404413.db2.gz MGFJRBMGRVOMEJ-UHFFFAOYSA-N -1 1 359.259 4.404 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000152974532 1125705581 /nfs/dbraw/zinc/70/55/81/1125705581.db2.gz BKNDHMZHGMVABS-ZDUSSCGKSA-N -1 1 363.816 4.116 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(C)C)cc1F ZINC000471127966 1079757603 /nfs/dbraw/zinc/75/76/03/1079757603.db2.gz VJHXGOCUOMKAHX-UHFFFAOYSA-N -1 1 355.456 4.136 20 0 FIADMM O=C(NC1(c2cccc(Br)c2)CCC1)c1cc(F)ccc1[O-] ZINC001625790378 1079800808 /nfs/dbraw/zinc/80/08/08/1079800808.db2.gz FRKAAEGTJADMAP-UHFFFAOYSA-N -1 1 364.214 4.103 20 0 FIADMM O=C([O-])[C@H](NCc1cccc(OC2CCCC2)c1)c1cc(F)ccc1F ZINC000683175346 1079822769 /nfs/dbraw/zinc/82/27/69/1079822769.db2.gz VPASJRZUPLIAJN-LJQANCHMSA-N -1 1 361.388 4.202 20 0 FIADMM CC(C)c1cccc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000655014258 1079871935 /nfs/dbraw/zinc/87/19/35/1079871935.db2.gz MLBCGWCZYHQRPX-UHFFFAOYSA-N -1 1 365.473 4.180 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000092605098 1079937304 /nfs/dbraw/zinc/93/73/04/1079937304.db2.gz SGTHIJXHMPYQJR-FXAWDEMLSA-N -1 1 357.425 4.040 20 0 FIADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001625801080 1079999838 /nfs/dbraw/zinc/99/98/38/1079999838.db2.gz ONXQHFMNSCIVBV-MOPGFXCFSA-N -1 1 373.880 4.293 20 0 FIADMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)Cc3ccccc3F)c2O1 ZINC000430378176 1080829225 /nfs/dbraw/zinc/82/92/25/1080829225.db2.gz PWMKMTVWQCIQEM-UHFFFAOYSA-N -1 1 369.845 4.135 20 0 FIADMM Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(C)c1 ZINC000683454957 1081029589 /nfs/dbraw/zinc/02/95/89/1081029589.db2.gz PZVRTCGJEUPORQ-ZDUSSCGKSA-N -1 1 357.479 4.104 20 0 FIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccc1Cl ZINC000063443831 1081070629 /nfs/dbraw/zinc/07/06/29/1081070629.db2.gz PMNYPCJWSYWAQV-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM O=C(Nc1cc(F)c(Br)c(Cl)c1)c1ccc([O-])cc1F ZINC000312537265 1081101120 /nfs/dbraw/zinc/10/11/20/1081101120.db2.gz FEYMGFTUMUKMQD-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM COc1ccccc1-c1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)cs1 ZINC000683592463 1081186133 /nfs/dbraw/zinc/18/61/33/1081186133.db2.gz CQPOUFUUCBQFTI-UHFFFAOYSA-N -1 1 369.377 4.380 20 0 FIADMM CCN(Cc1nc2cc(C(=O)[O-])ccc2n1CC)[C@@H](C)Cc1ccsc1 ZINC000579961900 1081275091 /nfs/dbraw/zinc/27/50/91/1081275091.db2.gz QUNVJTCLIYWZOQ-AWEZNQCLSA-N -1 1 371.506 4.269 20 0 FIADMM Cc1nc2c(s1)[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)CCC2 ZINC001266521888 1081287316 /nfs/dbraw/zinc/28/73/16/1081287316.db2.gz REDQSUADTJHKFQ-ZDUSSCGKSA-N -1 1 358.360 4.015 20 0 FIADMM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001648846918 1081288910 /nfs/dbraw/zinc/28/89/10/1081288910.db2.gz IWDIBEKNYHIANP-UHFFFAOYSA-N -1 1 373.815 4.299 20 0 FIADMM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1cccc(F)c1[O-] ZINC001648850990 1081298777 /nfs/dbraw/zinc/29/87/77/1081298777.db2.gz QYMXQPWUVDEVKJ-UHFFFAOYSA-N -1 1 374.799 4.423 20 0 FIADMM [O-]c1c(Cl)cc(Br)cc1Nc1cnn(C(F)(F)F)c1 ZINC001210363874 1081308527 /nfs/dbraw/zinc/30/85/27/1081308527.db2.gz BOMLYOKPDUUAOU-UHFFFAOYSA-N -1 1 356.529 4.225 20 0 FIADMM CSc1ccc([O-])c(C(=O)Nc2n[nH]cc2-c2ccc(Cl)cc2)c1 ZINC001167329140 1081431548 /nfs/dbraw/zinc/43/15/48/1081431548.db2.gz KNBVUKIEBNQRQD-UHFFFAOYSA-N -1 1 359.838 4.410 20 0 FIADMM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000160435735 1081762413 /nfs/dbraw/zinc/76/24/13/1081762413.db2.gz BPTBJOVQQKHEQX-MRXNPFEDSA-N -1 1 372.469 4.058 20 0 FIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(Cl)ccc(C)c1C ZINC000580549079 1082010698 /nfs/dbraw/zinc/01/06/98/1082010698.db2.gz MZJQFCVYTNAHEQ-UHFFFAOYSA-N -1 1 355.891 4.152 20 0 FIADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc(F)c(Cl)cc1F ZINC000255880356 1082212136 /nfs/dbraw/zinc/21/21/36/1082212136.db2.gz WZXUUYIXCDAASJ-ARJAWSKDSA-N -1 1 367.764 4.485 20 0 FIADMM C[S@](=O)Cc1cccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1 ZINC001167439807 1082245315 /nfs/dbraw/zinc/24/53/15/1082245315.db2.gz IFVCQEDQSVMZQK-VWLOTQADSA-N -1 1 373.861 4.330 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n[nH]c1-c1ccccc1 ZINC000581093980 1082309358 /nfs/dbraw/zinc/30/93/58/1082309358.db2.gz POCNNBMYPIWGGB-UHFFFAOYSA-N -1 1 363.389 4.124 20 0 FIADMM O=C([O-])c1cccc(CN2CCC(OCCc3ccccc3)CC2)c1Cl ZINC000581197182 1082365168 /nfs/dbraw/zinc/36/51/68/1082365168.db2.gz XDCKROWPGXZCEG-UHFFFAOYSA-N -1 1 373.880 4.262 20 0 FIADMM O=C([O-])C[C@@H](NCc1cccc(OC2CC2)c1F)c1cccc(Cl)c1 ZINC000656565887 1082582797 /nfs/dbraw/zinc/58/27/97/1082582797.db2.gz XBUKVOIJLAJFNN-MRXNPFEDSA-N -1 1 363.816 4.326 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)cc1C(C)C ZINC000656633955 1082648029 /nfs/dbraw/zinc/64/80/29/1082648029.db2.gz KXVKVFAAWVJCKX-UHFFFAOYSA-N -1 1 370.421 4.260 20 0 FIADMM CSc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000656633427 1082648343 /nfs/dbraw/zinc/64/83/43/1082648343.db2.gz GGQCCYJAWPFMTB-UHFFFAOYSA-N -1 1 373.931 4.257 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)[C@H]2CCCC[C@H]12 ZINC000656762895 1082754927 /nfs/dbraw/zinc/75/49/27/1082754927.db2.gz DFUBSHQFAALXFH-KFWWJZLASA-N -1 1 373.827 4.407 20 0 FIADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000656769649 1082760465 /nfs/dbraw/zinc/76/04/65/1082760465.db2.gz RYTZVZGRSLHBNK-IAGOWNOFSA-N -1 1 372.292 4.400 20 0 FIADMM CC[C@H](NCc1csc(N(C)C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156190635 1082904966 /nfs/dbraw/zinc/90/49/66/1082904966.db2.gz AMXSZKYXAOUSHT-LBPRGKRZSA-N -1 1 360.310 4.462 20 0 FIADMM CCOc1ccc(-c2nc(C[N@@H+](CCC(=O)[O-])CC(C)C)cs2)cc1 ZINC000581829959 1082915759 /nfs/dbraw/zinc/91/57/59/1082915759.db2.gz QZASZEKZUGETGT-UHFFFAOYSA-N -1 1 362.495 4.142 20 0 FIADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1cccc(C(F)(F)F)c1 ZINC000107207507 1082952305 /nfs/dbraw/zinc/95/23/05/1082952305.db2.gz YTJWAGHIZJIGMT-UHFFFAOYSA-N -1 1 358.366 4.116 20 0 FIADMM COc1cc(-c2ccccc2)ccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000426775079 1083123867 /nfs/dbraw/zinc/12/38/67/1083123867.db2.gz RFFLQQMIUJJMSS-NRFANRHFSA-N -1 1 365.404 4.417 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000089102987 1083234692 /nfs/dbraw/zinc/23/46/92/1083234692.db2.gz QAMJGYHRRSFURX-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1cccs1 ZINC000092422990 1083403310 /nfs/dbraw/zinc/40/33/10/1083403310.db2.gz OFHKJGOOEDEOHW-HNNXBMFYSA-N -1 1 365.454 4.485 20 0 FIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000471963722 1083443279 /nfs/dbraw/zinc/44/32/79/1083443279.db2.gz KEJNIDRCZNYHLP-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)s1 ZINC000133125420 1083459855 /nfs/dbraw/zinc/45/98/55/1083459855.db2.gz YRPCFGBBAQRLAO-UHFFFAOYSA-N -1 1 360.298 4.182 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc(Cl)c1[O-] ZINC000647409165 1083481463 /nfs/dbraw/zinc/48/14/63/1083481463.db2.gz GKOLLLWGMPVVHK-ZDUSSCGKSA-N -1 1 361.825 4.201 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000179767957 1083618560 /nfs/dbraw/zinc/61/85/60/1083618560.db2.gz ZTIMSOCXBMHWLP-SFHVURJKSA-N -1 1 371.820 4.015 20 0 FIADMM CC(C)(CC(F)F)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000413723010 1083782537 /nfs/dbraw/zinc/78/25/37/1083782537.db2.gz GOJLGYZCXPOMHM-UHFFFAOYSA-N -1 1 368.424 4.075 20 0 FIADMM O=C(N[N-]C(=O)c1cc2sc3ccccc3c2s1)NC1CCCC1 ZINC000065920492 1083801788 /nfs/dbraw/zinc/80/17/88/1083801788.db2.gz ICQDSQKQAGDOHT-UHFFFAOYSA-N -1 1 359.476 4.003 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cc2ccccc2s1 ZINC001211536745 1084308951 /nfs/dbraw/zinc/30/89/51/1084308951.db2.gz ZPVOLKJUGSBIOT-SNVBAGLBSA-N -1 1 353.415 4.219 20 0 FIADMM CCCc1ncc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)o1 ZINC000843601687 1084310213 /nfs/dbraw/zinc/31/02/13/1084310213.db2.gz JLYFCINJBUAGTG-UHFFFAOYSA-N -1 1 363.191 4.342 20 0 FIADMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000017322876 1084609628 /nfs/dbraw/zinc/60/96/28/1084609628.db2.gz PKPKHNMKCKDSQK-UHFFFAOYSA-N -1 1 374.506 4.024 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)ccc1F ZINC000544095444 1084678403 /nfs/dbraw/zinc/67/84/03/1084678403.db2.gz WSRAZAUFMNQCLU-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1coc(-c2ccccc2)n1 ZINC000120115937 1084723676 /nfs/dbraw/zinc/72/36/76/1084723676.db2.gz SDTYNJJDUOAAQA-UHFFFAOYSA-N -1 1 362.414 4.036 20 0 FIADMM CCOC(=O)c1cc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2s1 ZINC000613445893 1084750059 /nfs/dbraw/zinc/75/00/59/1084750059.db2.gz RWWMGPWFFOSYKD-UHFFFAOYSA-N -1 1 359.378 4.175 20 0 FIADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2Br)ccc1Cl ZINC000582294352 1084843860 /nfs/dbraw/zinc/84/38/60/1084843860.db2.gz DAALMWMAOKZBRV-HNNXBMFYSA-N -1 1 368.658 4.326 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000685899079 1084953763 /nfs/dbraw/zinc/95/37/63/1084953763.db2.gz WNHBLBJQNABFRF-UHFFFAOYSA-N -1 1 353.871 4.158 20 0 FIADMM CSc1nsc([N-]C(=O)c2csc(-c3ccc(Cl)s3)n2)n1 ZINC000175526893 1084954855 /nfs/dbraw/zinc/95/48/55/1084954855.db2.gz HTNDWSXRRCWWQE-UHFFFAOYSA-N -1 1 374.925 4.351 20 0 FIADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873914 1085010981 /nfs/dbraw/zinc/01/09/81/1085010981.db2.gz HTHMITNZGSBRON-ZDUSSCGKSA-N -1 1 371.742 4.318 20 0 FIADMM Cc1csc([C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C2CC2)n1 ZINC000684875715 1085012227 /nfs/dbraw/zinc/01/22/27/1085012227.db2.gz KBTDUIJKFWEPTD-CYBMUJFWSA-N -1 1 356.369 4.057 20 0 FIADMM CO[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1cccc(Cl)c1 ZINC000684875722 1085012442 /nfs/dbraw/zinc/01/24/42/1085012442.db2.gz KIYMRDZPHLLBFL-OAHLLOKOSA-N -1 1 373.758 4.182 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000684877113 1085020016 /nfs/dbraw/zinc/02/00/16/1085020016.db2.gz KIAHREHDPHQIKN-UHFFFAOYSA-N -1 1 365.351 4.136 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1 ZINC000432202624 1085224119 /nfs/dbraw/zinc/22/41/19/1085224119.db2.gz KRUNPIYJMUYROW-UHFFFAOYSA-N -1 1 372.446 4.295 20 0 FIADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1 ZINC000243474622 1085678983 /nfs/dbraw/zinc/67/89/83/1085678983.db2.gz NLBOIZZEEWMZBZ-UHFFFAOYSA-N -1 1 374.506 4.185 20 0 FIADMM CC[C@@H](CSC)N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000566363685 1085774821 /nfs/dbraw/zinc/77/48/21/1085774821.db2.gz RSRGVSSUHNNDPR-HNNXBMFYSA-N -1 1 350.509 4.082 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H](c4ccccc4)C4(CCC4)C3)cnc2n1 ZINC000582891651 1085894151 /nfs/dbraw/zinc/89/41/51/1085894151.db2.gz SVUJBPGNWMHFFS-IBGZPJMESA-N -1 1 373.456 4.054 20 0 FIADMM Cc1ccc2c(=O)c(C(=O)N3C[C@@H](c4ccccc4)C4(CCC4)C3)c[n-]c2n1 ZINC000582891651 1085894172 /nfs/dbraw/zinc/89/41/72/1085894172.db2.gz SVUJBPGNWMHFFS-IBGZPJMESA-N -1 1 373.456 4.054 20 0 FIADMM O=C([O-])c1cccc(Br)c1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000652428490 1086032756 /nfs/dbraw/zinc/03/27/56/1086032756.db2.gz PHECTLWJNPJYBF-LSDHHAIUSA-N -1 1 370.312 4.007 20 0 FIADMM O=C([O-])CCN(CCSc1ccccc1F)Cc1cccc(F)c1F ZINC000652483786 1086104284 /nfs/dbraw/zinc/10/42/84/1086104284.db2.gz QBSGKIIDKROFKJ-UHFFFAOYSA-N -1 1 369.408 4.173 20 0 FIADMM O=C([O-])c1cccc2c1CN(CCCc1ccccc1Br)CC2 ZINC000652487957 1086115903 /nfs/dbraw/zinc/11/59/03/1086115903.db2.gz YKSGAOHKDVLQHM-UHFFFAOYSA-N -1 1 374.278 4.138 20 0 FIADMM CC[C@H](C)[C@H](C)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253558498 1086247269 /nfs/dbraw/zinc/24/72/69/1086247269.db2.gz SJEDARARQLZVCA-GVXVVHGQSA-N -1 1 357.479 4.134 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(OCc2ccccc2F)CC1 ZINC000092068237 1086375059 /nfs/dbraw/zinc/37/50/59/1086375059.db2.gz TZGNFJSERIRYQO-UHFFFAOYSA-N -1 1 363.816 4.006 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1cncc([O-])c1 ZINC000583281051 1086518544 /nfs/dbraw/zinc/51/85/44/1086518544.db2.gz BBWDDEYYIBXNRO-JOCHJYFZSA-N -1 1 354.409 4.460 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](c2ccsc2)O1 ZINC000150871989 1086522130 /nfs/dbraw/zinc/52/21/30/1086522130.db2.gz KHSZMLPWSOEXKN-SCLBCKFNSA-N -1 1 353.443 4.209 20 0 FIADMM C[C@@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000392980560 1086788126 /nfs/dbraw/zinc/78/81/26/1086788126.db2.gz WUFYBDWYYXUBSX-NOZJJQNGSA-N -1 1 369.305 4.267 20 0 FIADMM CSCCCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001211589511 1086811959 /nfs/dbraw/zinc/81/19/59/1086811959.db2.gz ULVLPAFYSQUVEU-UHFFFAOYSA-N -1 1 363.957 4.366 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)s1 ZINC000512145078 1086828279 /nfs/dbraw/zinc/82/82/79/1086828279.db2.gz WQSADFUASAZYMR-JTQLQIEISA-N -1 1 351.827 4.109 20 0 FIADMM CCC[C@@H]1CCc2nc([N-]C(=O)c3ocnc3C(F)(F)F)sc2C1 ZINC000635460418 1087157759 /nfs/dbraw/zinc/15/77/59/1087157759.db2.gz QMFBCYFEHQUGMS-MRVPVSSYSA-N -1 1 359.373 4.307 20 0 FIADMM COc1ccc(-c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2)cc1 ZINC000584080540 1087160374 /nfs/dbraw/zinc/16/03/74/1087160374.db2.gz HNJKBUCINKRXBS-UHFFFAOYSA-N -1 1 369.367 4.276 20 0 FIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000022960009 1087171497 /nfs/dbraw/zinc/17/14/97/1087171497.db2.gz UCTKWLVFUKSRAB-UHFFFAOYSA-N -1 1 374.506 4.139 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(C(F)(F)F)c1F ZINC000431542907 1087182901 /nfs/dbraw/zinc/18/29/01/1087182901.db2.gz FUPFNKWOODAYSK-UHFFFAOYSA-N -1 1 365.286 4.193 20 0 FIADMM C[C@H]1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000584291625 1087250904 /nfs/dbraw/zinc/25/09/04/1087250904.db2.gz ZEEHAKQMIJNKOU-NHYWBVRUSA-N -1 1 350.871 4.006 20 0 FIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000096171042 1087465263 /nfs/dbraw/zinc/46/52/63/1087465263.db2.gz UJYIGYBXKOMZLT-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)cc(C)c1Br ZINC000685483638 1087581224 /nfs/dbraw/zinc/58/12/24/1087581224.db2.gz DDCYHYNVXFAJRZ-UHFFFAOYSA-N -1 1 356.166 4.302 20 0 FIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)on1 ZINC000472336086 1087597515 /nfs/dbraw/zinc/59/75/15/1087597515.db2.gz GDRAMFNQPJRUJX-UHFFFAOYSA-N -1 1 374.865 4.158 20 0 FIADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccccc2F)cc(Cl)c1[O-] ZINC000186568157 1087925576 /nfs/dbraw/zinc/92/55/76/1087925576.db2.gz RPBQFSDEWOVLQT-NSHDSACASA-N -1 1 351.805 4.417 20 0 FIADMM CCOc1cc(C(=O)N(Cc2cccs2)C2CC2)cc(Cl)c1[O-] ZINC000186565204 1087925652 /nfs/dbraw/zinc/92/56/52/1087925652.db2.gz VVUAVPBNDOMUDL-UHFFFAOYSA-N -1 1 351.855 4.311 20 0 FIADMM CCOc1cc(C(=O)N(CC)[C@@H](CC)c2ccncc2)cc(Cl)c1[O-] ZINC000186828765 1087998107 /nfs/dbraw/zinc/99/81/07/1087998107.db2.gz OXAHDOHREIIANQ-INIZCTEOSA-N -1 1 362.857 4.453 20 0 FIADMM CCOc1cc(C(=O)N[C@](C)(CC)c2nc(C)cs2)cc(Cl)c1[O-] ZINC000186833131 1088002387 /nfs/dbraw/zinc/00/23/87/1088002387.db2.gz QUCUXVZSMULSJJ-QGZVFWFLSA-N -1 1 368.886 4.264 20 0 FIADMM CCOc1cc(C(=O)Nc2ccccc2-n2ccc(C)n2)cc(Cl)c1[O-] ZINC000186864022 1088012448 /nfs/dbraw/zinc/01/24/48/1088012448.db2.gz MOFIGTIEROAXRA-UHFFFAOYSA-N -1 1 371.824 4.191 20 0 FIADMM CCOc1cc(C(=O)Nc2c(C)cc(N(C)C)cc2C)cc(Cl)c1[O-] ZINC000186926157 1088047368 /nfs/dbraw/zinc/04/73/68/1088047368.db2.gz USFVVAGFAJSKHZ-UHFFFAOYSA-N -1 1 362.857 4.379 20 0 FIADMM COc1cc(C(=O)N(C)Cc2cc(Cl)ccc2F)cc(Cl)c1[O-] ZINC000434340054 1088530803 /nfs/dbraw/zinc/53/08/03/1088530803.db2.gz BMVZRCYFNHCQOM-UHFFFAOYSA-N -1 1 358.196 4.119 20 0 FIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)NC(C)(C)C)c1 ZINC000468542888 1088708912 /nfs/dbraw/zinc/70/89/12/1088708912.db2.gz PPJLXCRDNNUTCH-UHFFFAOYSA-N -1 1 374.506 4.139 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](c2ccccc2)O1 ZINC000180435562 1088776606 /nfs/dbraw/zinc/77/66/06/1088776606.db2.gz GOOZADCNDCKHLI-YVEFUNNKSA-N -1 1 365.351 4.013 20 0 FIADMM Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c(Cl)c1 ZINC000181770293 1088835642 /nfs/dbraw/zinc/83/56/42/1088835642.db2.gz DGGARNMVWXBTOA-GFCCVEGCSA-N -1 1 367.854 4.027 20 0 FIADMM Cc1ccc(C)c(OC2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000659786744 1088856131 /nfs/dbraw/zinc/85/61/31/1088856131.db2.gz APVLXABUNLAPLL-UHFFFAOYSA-N -1 1 357.425 4.184 20 0 FIADMM CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590101649 1088861029 /nfs/dbraw/zinc/86/10/29/1088861029.db2.gz REIHQKRFZLHPGO-JXFKEZNVSA-N -1 1 372.509 4.355 20 0 FIADMM CC(C)(C(=O)Nc1ccc(F)cc1[O-])c1ccc(Br)cc1 ZINC000536221374 1089018951 /nfs/dbraw/zinc/01/89/51/1089018951.db2.gz SBEYDSZETWRMLB-UHFFFAOYSA-N -1 1 352.203 4.210 20 0 FIADMM CCCCOc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000613664457 1089233179 /nfs/dbraw/zinc/23/31/79/1089233179.db2.gz PFUUGCMSSJKUFN-UHFFFAOYSA-N -1 1 351.406 4.214 20 0 FIADMM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613664095 1089233319 /nfs/dbraw/zinc/23/33/19/1089233319.db2.gz CUOJWRMKWFCJMO-UHFFFAOYSA-N -1 1 365.433 4.232 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2cc(F)ccc2s1 ZINC000613667152 1089256724 /nfs/dbraw/zinc/25/67/24/1089256724.db2.gz JTEPUEUISZZWFD-UHFFFAOYSA-N -1 1 353.378 4.388 20 0 FIADMM Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668350 1089266937 /nfs/dbraw/zinc/26/69/37/1089266937.db2.gz KNFGIWDBTYWORB-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM O=S(=O)([N-]c1ccc(Sc2ccncc2)cc1)c1cccc(F)c1 ZINC000435130219 1089311198 /nfs/dbraw/zinc/31/11/98/1089311198.db2.gz OOZPHPMPYPKLMQ-UHFFFAOYSA-N -1 1 360.435 4.173 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC2(CCC2)C1 ZINC000584532141 1089473462 /nfs/dbraw/zinc/47/34/62/1089473462.db2.gz ZWABLHLPOXYBAT-UHFFFAOYSA-N -1 1 370.474 4.006 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nccs1 ZINC000435440106 1089664152 /nfs/dbraw/zinc/66/41/52/1089664152.db2.gz ZMAJEIBVDOTRDD-JTQLQIEISA-N -1 1 369.270 4.019 20 0 FIADMM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1c(F)ccc([O-])c1F ZINC000514973347 1089677502 /nfs/dbraw/zinc/67/75/02/1089677502.db2.gz UALLELYTCGFLCW-UHFFFAOYSA-N -1 1 371.305 4.151 20 0 FIADMM CC[C@]1(C)CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000515068531 1089767715 /nfs/dbraw/zinc/76/77/15/1089767715.db2.gz UDGKBOIBEZSERE-GDBMZVCRSA-N -1 1 358.251 4.226 20 0 FIADMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000515118507 1089795466 /nfs/dbraw/zinc/79/54/66/1089795466.db2.gz PKTYHTAQAXFWNJ-MRVPVSSYSA-N -1 1 368.282 4.104 20 0 FIADMM CCCc1cc(=O)[n-]c(SCc2coc(-c3ccc(OC)cc3)n2)n1 ZINC000515181523 1089859201 /nfs/dbraw/zinc/85/92/01/1089859201.db2.gz AHCCZQNSRCRCSK-UHFFFAOYSA-N -1 1 357.435 4.091 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC000756331965 1089908834 /nfs/dbraw/zinc/90/88/34/1089908834.db2.gz DAZPQEWPQSZQCU-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC000180272466 1090182040 /nfs/dbraw/zinc/18/20/40/1090182040.db2.gz ZBTRVFDOADCVRR-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1nc(Cl)ccc1Cl ZINC000182143472 1090331714 /nfs/dbraw/zinc/33/17/14/1090331714.db2.gz UWISZRFMEUYFMU-UHFFFAOYSA-N -1 1 357.247 4.221 20 0 FIADMM Cc1cccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1F ZINC000417577108 1090930503 /nfs/dbraw/zinc/93/05/03/1090930503.db2.gz INCDDJUSXRWMGV-OAHLLOKOSA-N -1 1 355.331 4.459 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C3CCC3)cc2)c1OC ZINC000417588789 1090933618 /nfs/dbraw/zinc/93/36/18/1090933618.db2.gz VAKWMYCCSDWMKW-IBGZPJMESA-N -1 1 369.461 4.277 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417620525 1090941393 /nfs/dbraw/zinc/94/13/93/1090941393.db2.gz GKLBGIWQAPVRNJ-GDBMZVCRSA-N -1 1 366.244 4.405 20 0 FIADMM O=C([O-])[C@@H](CC1CC1)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000417626259 1090948233 /nfs/dbraw/zinc/94/82/33/1090948233.db2.gz QRMUHRJFNZZINN-OAHLLOKOSA-N -1 1 353.340 4.308 20 0 FIADMM O=C([O-])c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)nc1C1CC1 ZINC000417702016 1090965242 /nfs/dbraw/zinc/96/52/42/1090965242.db2.gz KDIKXZIHHVSHCJ-UHFFFAOYSA-N -1 1 368.330 4.105 20 0 FIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@@H]1CC12CCC2 ZINC000759850152 1091321606 /nfs/dbraw/zinc/32/16/06/1091321606.db2.gz XWOYPCXUOBUSRG-AWEZNQCLSA-N -1 1 366.442 4.297 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)c(Cl)c2Cl)[n-]c1=O ZINC000432695598 1092124661 /nfs/dbraw/zinc/12/46/61/1092124661.db2.gz LYOUCVRYHVITDB-SOFGYWHQSA-N -1 1 371.195 4.365 20 0 FIADMM Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1csc2ccccc21 ZINC000508251295 1092201098 /nfs/dbraw/zinc/20/10/98/1092201098.db2.gz VRXNLEINIQDUNB-UHFFFAOYSA-N -1 1 360.504 4.072 20 0 FIADMM CCCC[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000500540423 1092203961 /nfs/dbraw/zinc/20/39/61/1092203961.db2.gz WKBMZNMDHGVQKL-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM FC(F)(F)c1[n-]c(=NC2CC(C(F)(F)F)C2)sc1Br ZINC000418967589 1092364954 /nfs/dbraw/zinc/36/49/54/1092364954.db2.gz PRZVDXVMZUNOIM-UHFFFAOYSA-N -1 1 369.128 4.099 20 0 FIADMM CCC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000520981859 1092408101 /nfs/dbraw/zinc/40/81/01/1092408101.db2.gz IZDQIKJYWDDFMU-KRWDZBQOSA-N -1 1 374.506 4.104 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccc2c(c1)CCC2 ZINC000442113715 1092435552 /nfs/dbraw/zinc/43/55/52/1092435552.db2.gz XUQFHMOIZPLERS-UHFFFAOYSA-N -1 1 359.344 4.134 20 0 FIADMM COc1cc(C(=O)NCCc2csc3ccccc23)cc(Cl)c1[O-] ZINC000442730836 1092740524 /nfs/dbraw/zinc/74/05/24/1092740524.db2.gz RKPZPVMKCHXQIM-UHFFFAOYSA-N -1 1 361.850 4.241 20 0 FIADMM Cc1nc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c(C)s1 ZINC000521597102 1092788099 /nfs/dbraw/zinc/78/80/99/1092788099.db2.gz ZOKMULPZIPUIHM-UHFFFAOYSA-N -1 1 361.648 4.134 20 0 FIADMM CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442868633 1092814619 /nfs/dbraw/zinc/81/46/19/1092814619.db2.gz HASQAYSADLHTEN-UHFFFAOYSA-N -1 1 354.233 4.370 20 0 FIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000473441334 1092881437 /nfs/dbraw/zinc/88/14/37/1092881437.db2.gz MUJMHMUHOBUENK-UHFFFAOYSA-N -1 1 363.442 4.135 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000442967362 1092894893 /nfs/dbraw/zinc/89/48/93/1092894893.db2.gz PYRZMSFCEWSCPQ-FZMZJTMJSA-N -1 1 363.816 4.212 20 0 FIADMM Cc1c(C(=O)NCCc2n[n-]c(=S)n2C(C)C)oc2c1c(C)ccc2C ZINC000067073325 1092899585 /nfs/dbraw/zinc/89/95/85/1092899585.db2.gz FXVVFKFCIFSMJM-UHFFFAOYSA-N -1 1 372.494 4.166 20 0 FIADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](C)Cc1ccsc1 ZINC000442992085 1092901449 /nfs/dbraw/zinc/90/14/49/1092901449.db2.gz VIXXLZCPRKFLSH-NSHDSACASA-N -1 1 353.871 4.209 20 0 FIADMM COc1cc(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)cc(Cl)c1[O-] ZINC000443056482 1092929515 /nfs/dbraw/zinc/92/95/15/1092929515.db2.gz ZCSROEDGTNSBFX-UHFFFAOYSA-N -1 1 357.797 4.005 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1C ZINC000512567432 1092940878 /nfs/dbraw/zinc/94/08/78/1092940878.db2.gz AMINDLLIIZQNBY-UHFFFAOYSA-N -1 1 372.446 4.131 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(N(C)C)cc3)no2)cc(Cl)c1[O-] ZINC000443109452 1092944596 /nfs/dbraw/zinc/94/45/96/1092944596.db2.gz YQLMDAKRPHBTDX-UHFFFAOYSA-N -1 1 359.813 4.227 20 0 FIADMM CCNc1ccc(Cl)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443112361 1092945833 /nfs/dbraw/zinc/94/58/33/1092945833.db2.gz ALOQSHSQSWOKLJ-UHFFFAOYSA-N -1 1 355.221 4.392 20 0 FIADMM COc1cc(C(=O)Nc2nc(CC(C)(C)C)cs2)cc(Cl)c1[O-] ZINC000443114724 1092950482 /nfs/dbraw/zinc/95/04/82/1092950482.db2.gz WOASSOQJFZPYCL-UHFFFAOYSA-N -1 1 354.859 4.352 20 0 FIADMM Cc1ccc([C@@]2(C)CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000432941307 1092975490 /nfs/dbraw/zinc/97/54/90/1092975490.db2.gz XZEYNOJDQRYSQN-QHCPKHFHSA-N -1 1 374.488 4.337 20 0 FIADMM CCN(CC)c1ccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cn1 ZINC000443206662 1092992157 /nfs/dbraw/zinc/99/21/57/1092992157.db2.gz CDYSUAUHQZRFNL-UHFFFAOYSA-N -1 1 374.828 4.012 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(F)c(OC)c3)no2)cc(Cl)c1[O-] ZINC000443207671 1092992597 /nfs/dbraw/zinc/99/25/97/1092992597.db2.gz JJNOQLVVGZRNSX-UHFFFAOYSA-N -1 1 364.760 4.309 20 0 FIADMM CCCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443288475 1093028559 /nfs/dbraw/zinc/02/85/59/1093028559.db2.gz BAABTCWCZIDATP-UHFFFAOYSA-N -1 1 363.841 4.081 20 0 FIADMM COc1cc(C(=O)NCc2ccc(C)cc2OC(C)C)cc(Cl)c1[O-] ZINC000443296986 1093040731 /nfs/dbraw/zinc/04/07/31/1093040731.db2.gz DTIMUEPLDBFBOQ-UHFFFAOYSA-N -1 1 363.841 4.080 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccncc1Oc1ccccc1 ZINC000443316931 1093048302 /nfs/dbraw/zinc/04/83/02/1093048302.db2.gz QHVYYLWOSOZYPW-UHFFFAOYSA-N -1 1 372.384 4.222 20 0 FIADMM CCC(CC)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468993246 1093082208 /nfs/dbraw/zinc/08/22/08/1093082208.db2.gz POHQVTRCNWKHRQ-UHFFFAOYSA-N -1 1 360.479 4.252 20 0 FIADMM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc([O-])cc1F ZINC000443385557 1093097084 /nfs/dbraw/zinc/09/70/84/1093097084.db2.gz KVAXUWSNKSVVKX-UHFFFAOYSA-N -1 1 355.331 4.301 20 0 FIADMM CC[C@@H](C)c1ccccc1OC=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000614689192 1093098880 /nfs/dbraw/zinc/09/88/80/1093098880.db2.gz CBJYRWQUUPKEDT-CQSZACIVSA-N -1 1 367.474 4.158 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000443407761 1093108808 /nfs/dbraw/zinc/10/88/08/1093108808.db2.gz QXHHJFDDJGSDBK-UHFFFAOYSA-N -1 1 360.460 4.010 20 0 FIADMM Cc1ccccc1-c1nc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)no1 ZINC000631023832 1093128759 /nfs/dbraw/zinc/12/87/59/1093128759.db2.gz FRIRAAMBNGUPIQ-UHFFFAOYSA-N -1 1 354.435 4.019 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(C(F)(F)F)cc1Cl ZINC000443450459 1093135285 /nfs/dbraw/zinc/13/52/85/1093135285.db2.gz CORVGAZVEKSVAM-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(F)cc2n[nH]nc21 ZINC000433356089 1093611734 /nfs/dbraw/zinc/61/17/34/1093611734.db2.gz SJYCCOFBJDVJHD-UHFFFAOYSA-N -1 1 350.806 4.115 20 0 FIADMM CCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](CC)c1ccccc1 ZINC000114778834 1093704628 /nfs/dbraw/zinc/70/46/28/1093704628.db2.gz ZDHICHMVMSZARL-IBGZPJMESA-N -1 1 363.461 4.317 20 0 FIADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1ccccc1C(F)(F)F ZINC000474435567 1093782591 /nfs/dbraw/zinc/78/25/91/1093782591.db2.gz UYXFLQMNBIFZOZ-UHFFFAOYSA-N -1 1 373.400 4.277 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000022931027 1094037158 /nfs/dbraw/zinc/03/71/58/1094037158.db2.gz UKNHTAISFXAXRY-OAHLLOKOSA-N -1 1 373.522 4.053 20 0 FIADMM CC(C)C[C@@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000262715209 1094146206 /nfs/dbraw/zinc/14/62/06/1094146206.db2.gz RLRMZYIICIQEAD-OAHLLOKOSA-N -1 1 366.255 4.298 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000840519755 1094537001 /nfs/dbraw/zinc/53/70/01/1094537001.db2.gz WXEKYFPQSHXGKS-KRWDZBQOSA-N -1 1 365.477 4.024 20 0 FIADMM COc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1Cl ZINC000179191536 1094769679 /nfs/dbraw/zinc/76/96/79/1094769679.db2.gz ZOTAYJBMNKTRPY-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000501658170 1094842235 /nfs/dbraw/zinc/84/22/35/1094842235.db2.gz ZGBVMESVHWNPQV-AWEZNQCLSA-N -1 1 369.509 4.273 20 0 FIADMM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000513719053 1094843475 /nfs/dbraw/zinc/84/34/75/1094843475.db2.gz TUPKYPURZYBDDU-GFCCVEGCSA-N -1 1 355.825 4.253 20 0 FIADMM CCCN(CCC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000028492092 1094918850 /nfs/dbraw/zinc/91/88/50/1094918850.db2.gz GCQRMSOVCNJNRO-UHFFFAOYSA-N -1 1 374.506 4.058 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c(C)n1 ZINC000414457437 1094932988 /nfs/dbraw/zinc/93/29/88/1094932988.db2.gz KYNHMZSLELUKIY-UHFFFAOYSA-N -1 1 358.385 4.135 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000522598731 1095175168 /nfs/dbraw/zinc/17/51/68/1095175168.db2.gz VIPCELNWQQEEMD-UHFFFAOYSA-N -1 1 359.369 4.043 20 0 FIADMM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)on1 ZINC000121197226 1095195163 /nfs/dbraw/zinc/19/51/63/1095195163.db2.gz RFIITWBNFUXBFZ-UHFFFAOYSA-N -1 1 359.817 4.269 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000058645040 1095302748 /nfs/dbraw/zinc/30/27/48/1095302748.db2.gz NWXXMTCWSIYPSO-UHFFFAOYSA-N -1 1 366.442 4.113 20 0 FIADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000280951207 1095462757 /nfs/dbraw/zinc/46/27/57/1095462757.db2.gz HLOQXYYWBLOLSF-UGSOOPFHSA-N -1 1 362.882 4.150 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000502492365 1095502992 /nfs/dbraw/zinc/50/29/92/1095502992.db2.gz OZLASTJIUIBQRN-UHFFFAOYSA-N -1 1 371.796 4.263 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)sc1C ZINC000444031890 1095627555 /nfs/dbraw/zinc/62/75/55/1095627555.db2.gz JBJAFBSNNFENHS-UHFFFAOYSA-N -1 1 364.536 4.152 20 0 FIADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444049953 1095642143 /nfs/dbraw/zinc/64/21/43/1095642143.db2.gz GTDVAFKZESHZDE-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)c1 ZINC000444289441 1095928948 /nfs/dbraw/zinc/92/89/48/1095928948.db2.gz PWXTXFOLYSPEQL-WDEREUQCSA-N -1 1 368.271 4.043 20 0 FIADMM CN(CCCC(=O)[O-])Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414644104 1096301979 /nfs/dbraw/zinc/30/19/79/1096301979.db2.gz YZJSOWUBZWKINF-UHFFFAOYSA-N -1 1 359.278 4.414 20 0 FIADMM COc1ccc(-c2nc(C(=O)Nc3ccc([O-])c(Cl)c3)cs2)cc1 ZINC000533081536 1098750247 /nfs/dbraw/zinc/75/02/47/1098750247.db2.gz XFBRRFIQQZAPTB-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000515623921 1098773790 /nfs/dbraw/zinc/77/37/90/1098773790.db2.gz CTCUZNJTIHVDPI-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000533203081 1098863056 /nfs/dbraw/zinc/86/30/56/1098863056.db2.gz KEBYQFVLYQTICN-LBPRGKRZSA-N -1 1 350.871 4.150 20 0 FIADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000533203081 1098863062 /nfs/dbraw/zinc/86/30/62/1098863062.db2.gz KEBYQFVLYQTICN-LBPRGKRZSA-N -1 1 350.871 4.150 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2oc3ccc(Cl)cc3c2C)c1 ZINC000436502074 1099064900 /nfs/dbraw/zinc/06/49/00/1099064900.db2.gz GCBXVIDDZVBUAC-UHFFFAOYSA-N -1 1 359.765 4.139 20 0 FIADMM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1 ZINC000436511610 1099072325 /nfs/dbraw/zinc/07/23/25/1099072325.db2.gz HHXSJRPURIYEKC-SFHVURJKSA-N -1 1 351.780 4.204 20 0 FIADMM C[C@@H](Cc1cnc2ccccc2n1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436519780 1099076418 /nfs/dbraw/zinc/07/64/18/1099076418.db2.gz BFGBJDMNALGKJU-NSHDSACASA-N -1 1 366.808 4.385 20 0 FIADMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc2ccccc2c1[O-] ZINC000436522696 1099078077 /nfs/dbraw/zinc/07/80/77/1099078077.db2.gz WTCUKEZWUMQDNC-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM CCCCCn1nc(C)cc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436523309 1099080998 /nfs/dbraw/zinc/08/09/98/1099080998.db2.gz SATFQYXSJFKEHM-UHFFFAOYSA-N -1 1 365.861 4.392 20 0 FIADMM COc1ccc(N(Cc2ccco2)C(=O)c2cc(F)ccc2[O-])cc1F ZINC000436529320 1099084173 /nfs/dbraw/zinc/08/41/73/1099084173.db2.gz NTIZRCMZMFBQHK-UHFFFAOYSA-N -1 1 359.328 4.119 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCn2cccc2[C@H]1c1ccccc1 ZINC000436549480 1099096908 /nfs/dbraw/zinc/09/69/08/1099096908.db2.gz FTOBCIZYOWBZNY-LJQANCHMSA-N -1 1 352.821 4.093 20 0 FIADMM O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([O-])cc1F ZINC000436543735 1099108377 /nfs/dbraw/zinc/10/83/77/1099108377.db2.gz JEGFJFXXIRBXIH-INIZCTEOSA-N -1 1 369.314 4.311 20 0 FIADMM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436563792 1099116397 /nfs/dbraw/zinc/11/63/97/1099116397.db2.gz QQWGAIGXDITJAT-UHFFFAOYSA-N -1 1 352.434 4.067 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N(CC1CC1)C1CCCCC1 ZINC000436563659 1099116848 /nfs/dbraw/zinc/11/68/48/1099116848.db2.gz NZBJEMBOFWUHIQ-UHFFFAOYSA-N -1 1 352.272 4.340 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000436581136 1099132021 /nfs/dbraw/zinc/13/20/21/1099132021.db2.gz DOLMRCZEOSNUCH-LBPRGKRZSA-N -1 1 370.207 4.132 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000436588576 1099135434 /nfs/dbraw/zinc/13/54/34/1099135434.db2.gz HYQBFYAHQISGIA-JLTOFOAXSA-N -1 1 365.404 4.287 20 0 FIADMM CCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436618096 1099137523 /nfs/dbraw/zinc/13/75/23/1099137523.db2.gz QAXNWJKPTUGONU-UHFFFAOYSA-N -1 1 367.232 4.091 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000436612812 1099145993 /nfs/dbraw/zinc/14/59/93/1099145993.db2.gz YWUFKTUBNKLGGB-QGZVFWFLSA-N -1 1 371.440 4.200 20 0 FIADMM COc1ccc(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c([O-])c1 ZINC000436634771 1099164379 /nfs/dbraw/zinc/16/43/79/1099164379.db2.gz LIIJSGGWJNJDQX-UHFFFAOYSA-N -1 1 352.365 4.163 20 0 FIADMM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436638945 1099165515 /nfs/dbraw/zinc/16/55/15/1099165515.db2.gz AAEMRVJYEDYYSO-QGZVFWFLSA-N -1 1 359.425 4.365 20 0 FIADMM COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436677104 1099209772 /nfs/dbraw/zinc/20/97/72/1099209772.db2.gz AVTNPVSCPHTESW-INIZCTEOSA-N -1 1 361.825 4.040 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000436684412 1099219579 /nfs/dbraw/zinc/21/95/79/1099219579.db2.gz ZYGMZIGFAHLEHF-IBGZPJMESA-N -1 1 367.832 4.413 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000436691324 1099226814 /nfs/dbraw/zinc/22/68/14/1099226814.db2.gz TZMZUSSSTDWSTA-FQEVSTJZSA-N -1 1 367.832 4.413 20 0 FIADMM CCOc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Cl ZINC000436695765 1099229623 /nfs/dbraw/zinc/22/96/23/1099229623.db2.gz FTFCYBZEFDULHD-UHFFFAOYSA-N -1 1 370.232 4.036 20 0 FIADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000436714785 1099244651 /nfs/dbraw/zinc/24/46/51/1099244651.db2.gz VDUAZDYXOOVNIY-GXTWGEPZSA-N -1 1 360.251 4.173 20 0 FIADMM COc1ccccc1CC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436724627 1099255114 /nfs/dbraw/zinc/25/51/14/1099255114.db2.gz OWJAJKONKQQBSZ-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436724057 1099255527 /nfs/dbraw/zinc/25/55/27/1099255527.db2.gz XIXPKZYIUALINQ-INIZCTEOSA-N -1 1 361.825 4.040 20 0 FIADMM CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc2ccccc2cc1[O-] ZINC000436756277 1099272085 /nfs/dbraw/zinc/27/20/85/1099272085.db2.gz PJDJUOOWUUGBDC-UHFFFAOYSA-N -1 1 365.429 4.225 20 0 FIADMM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436759582 1099275842 /nfs/dbraw/zinc/27/58/42/1099275842.db2.gz CBRBYICOTKNULQ-JTQLQIEISA-N -1 1 352.203 4.127 20 0 FIADMM CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)c3ccc([O-])cc3)sc2C1 ZINC000436764222 1099279212 /nfs/dbraw/zinc/27/92/12/1099279212.db2.gz KIFWJKPAXYJQIQ-ZDUSSCGKSA-N -1 1 372.490 4.211 20 0 FIADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436752107 1099286211 /nfs/dbraw/zinc/28/62/11/1099286211.db2.gz PQWCFHQBNXBHRJ-CYBMUJFWSA-N -1 1 351.368 4.423 20 0 FIADMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752891 1099288025 /nfs/dbraw/zinc/28/80/25/1099288025.db2.gz SFFCYXAXBYTUEU-CYBMUJFWSA-N -1 1 357.372 4.023 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CC=CCC3)n2)cc(Br)c1[O-] ZINC000436779462 1099300508 /nfs/dbraw/zinc/30/05/08/1099300508.db2.gz WYUWXYWKCCJQGB-JTQLQIEISA-N -1 1 365.227 4.427 20 0 FIADMM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436779497 1099301125 /nfs/dbraw/zinc/30/11/25/1099301125.db2.gz XIHHCNJNSOURSB-OAHLLOKOSA-N -1 1 365.351 4.397 20 0 FIADMM COc1cccc(C(=O)CCCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436785277 1099318190 /nfs/dbraw/zinc/31/81/90/1099318190.db2.gz UEKMWZWQRRZMBE-UHFFFAOYSA-N -1 1 372.808 4.310 20 0 FIADMM CCSc1ccc(Cl)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436786514 1099319217 /nfs/dbraw/zinc/31/92/17/1099319217.db2.gz JJBSNLVJGQSVSN-UHFFFAOYSA-N -1 1 364.854 4.368 20 0 FIADMM O=C(Nc1nc(CC(F)(F)F)cs1)c1ccc2ccccc2c1[O-] ZINC000436789774 1099321720 /nfs/dbraw/zinc/32/17/20/1099321720.db2.gz DHYCDPYVFRUQDH-UHFFFAOYSA-N -1 1 352.337 4.359 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CC1CCC1)CC(F)(F)F ZINC000436810097 1099335331 /nfs/dbraw/zinc/33/53/31/1099335331.db2.gz WIBOQLPLGYZVKY-UHFFFAOYSA-N -1 1 355.278 4.216 20 0 FIADMM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436812164 1099338045 /nfs/dbraw/zinc/33/80/45/1099338045.db2.gz DOQYWQDBAPLWJI-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436827408 1099340169 /nfs/dbraw/zinc/34/01/69/1099340169.db2.gz JRRLINPVLKTMSV-UHFFFAOYSA-N -1 1 373.758 4.259 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000436821951 1099348641 /nfs/dbraw/zinc/34/86/41/1099348641.db2.gz NBAMJERFVGSEKN-SNVBAGLBSA-N -1 1 371.305 4.319 20 0 FIADMM Cc1cc(C(C)(C)NC(=O)c2ccc([O-])cc2F)ccc1Br ZINC000436821576 1099350053 /nfs/dbraw/zinc/35/00/53/1099350053.db2.gz POBHWKFMHNENTJ-UHFFFAOYSA-N -1 1 366.230 4.267 20 0 FIADMM CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436821527 1099350321 /nfs/dbraw/zinc/35/03/21/1099350321.db2.gz LGOKANWJDLGZBN-UHFFFAOYSA-N -1 1 355.438 4.218 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)ccc1F ZINC000105591889 1099355728 /nfs/dbraw/zinc/35/57/28/1099355728.db2.gz LYCMPCQTGRYNBS-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM O=C(Nc1nc2ccsc2s1)c1cc(Br)ccc1[O-] ZINC000436853032 1099369068 /nfs/dbraw/zinc/36/90/68/1099369068.db2.gz QBEKZGUCRNDDIB-UHFFFAOYSA-N -1 1 355.238 4.078 20 0 FIADMM CCOc1cc(-c2noc(C3Cc4ccccc4C3)n2)cc(Cl)c1[O-] ZINC000436867377 1099379091 /nfs/dbraw/zinc/37/90/91/1099379091.db2.gz BTBCXYJBPIRVOL-UHFFFAOYSA-N -1 1 356.809 4.377 20 0 FIADMM O=C(c1ccccc1)N1CCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872197 1099383198 /nfs/dbraw/zinc/38/31/98/1099383198.db2.gz LQGWCORDGOPYPP-INIZCTEOSA-N -1 1 369.808 4.073 20 0 FIADMM CCOc1cc(-c2noc(-c3ccnc4ccncc43)n2)cc(Cl)c1[O-] ZINC000436872362 1099384872 /nfs/dbraw/zinc/38/48/72/1099384872.db2.gz MKULRIAXTNFLPG-UHFFFAOYSA-N -1 1 368.780 4.105 20 0 FIADMM Cn1c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2nc1C(F)F ZINC000436874451 1099387610 /nfs/dbraw/zinc/38/76/10/1099387610.db2.gz QOQRLHIDVAXMPK-UHFFFAOYSA-N -1 1 360.295 4.073 20 0 FIADMM CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436878759 1099395397 /nfs/dbraw/zinc/39/53/97/1099395397.db2.gz CZFMYHBJDUQOJU-SFHVURJKSA-N -1 1 373.412 4.477 20 0 FIADMM CCc1onc(-c2ccccc2)c1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436880703 1099396836 /nfs/dbraw/zinc/39/68/36/1099396836.db2.gz RZVUUYNIIUPWOA-UHFFFAOYSA-N -1 1 351.337 4.466 20 0 FIADMM COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc([O-])cc1F ZINC000436879440 1099397633 /nfs/dbraw/zinc/39/76/33/1099397633.db2.gz JMNREIDRUWCPKX-UHFFFAOYSA-N -1 1 371.433 4.444 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)cc1 ZINC000614881161 1099422552 /nfs/dbraw/zinc/42/25/52/1099422552.db2.gz SBAYHWWPYIWYOT-LLVKDONJSA-N -1 1 355.406 4.288 20 0 FIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(Cc2cscn2)no1 ZINC000436898044 1099422969 /nfs/dbraw/zinc/42/29/69/1099422969.db2.gz WCGXBMRAJRSJET-UHFFFAOYSA-N -1 1 351.387 4.282 20 0 FIADMM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436917787 1099432969 /nfs/dbraw/zinc/43/29/69/1099432969.db2.gz FJXOVOANVLXJJZ-MRXNPFEDSA-N -1 1 359.425 4.462 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)c1 ZINC000436917899 1099433400 /nfs/dbraw/zinc/43/34/00/1099433400.db2.gz CMWRSCFSMQBUDY-UHFFFAOYSA-N -1 1 370.449 4.336 20 0 FIADMM Cc1c2ccccc2oc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916974 1099433549 /nfs/dbraw/zinc/43/35/49/1099433549.db2.gz WIIHVEXZLWXWOP-UHFFFAOYSA-N -1 1 368.780 4.138 20 0 FIADMM Cc1c2ccccc2oc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916974 1099433556 /nfs/dbraw/zinc/43/35/56/1099433556.db2.gz WIIHVEXZLWXWOP-UHFFFAOYSA-N -1 1 368.780 4.138 20 0 FIADMM COc1cccc(Oc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)c1 ZINC000436922907 1099436632 /nfs/dbraw/zinc/43/66/32/1099436632.db2.gz RKXMPKKBXVKPSV-UHFFFAOYSA-N -1 1 363.369 4.015 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccccc1)CC(F)F ZINC000436921450 1099436735 /nfs/dbraw/zinc/43/67/35/1099436735.db2.gz SSORQCXGHFUSGK-UHFFFAOYSA-N -1 1 370.193 4.062 20 0 FIADMM COc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])c(OC)c(C)c1OC ZINC000436929569 1099443252 /nfs/dbraw/zinc/44/32/52/1099443252.db2.gz FHJFGUQMMZVUCR-UHFFFAOYSA-N -1 1 359.422 4.102 20 0 FIADMM CO[C@@H](c1noc(-c2ccc3ccccc3c2[O-])n1)c1ccc(F)cc1 ZINC000436950251 1099444129 /nfs/dbraw/zinc/44/41/29/1099444129.db2.gz BFSGDKPLXLEJAC-GOSISDBHSA-N -1 1 350.349 4.470 20 0 FIADMM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(Cl)cc2[O-])no1 ZINC000436964809 1099463541 /nfs/dbraw/zinc/46/35/41/1099463541.db2.gz RCKTZFDFKFAKSR-CQSZACIVSA-N -1 1 363.845 4.310 20 0 FIADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000614948037 1099470504 /nfs/dbraw/zinc/47/05/04/1099470504.db2.gz BKRLRRSNFKFLLW-BETUJISGSA-N -1 1 352.356 4.134 20 0 FIADMM COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436969422 1099490431 /nfs/dbraw/zinc/49/04/31/1099490431.db2.gz YDLARNBHUGDAMF-UHFFFAOYSA-N -1 1 363.369 4.015 20 0 FIADMM CC(C)=CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436994845 1099498338 /nfs/dbraw/zinc/49/83/38/1099498338.db2.gz OCKAGXZJPGTCAR-UHFFFAOYSA-N -1 1 374.387 4.009 20 0 FIADMM Cc1nc(CNC(=O)c2c([O-])cccc2F)oc1-c1ccc(Cl)cc1 ZINC000437005795 1099510041 /nfs/dbraw/zinc/51/00/41/1099510041.db2.gz WOKZIIJLDDFRTC-UHFFFAOYSA-N -1 1 360.772 4.078 20 0 FIADMM O=c1[n-]c(Oc2ccc3ccccc3c2)nc2c1cnn2-c1ccccc1 ZINC000078804421 1099636606 /nfs/dbraw/zinc/63/66/06/1099636606.db2.gz WBZHQNBQMNMCHL-UHFFFAOYSA-N -1 1 354.369 4.054 20 0 FIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)cc1F ZINC000516697388 1099729792 /nfs/dbraw/zinc/72/97/92/1099729792.db2.gz AZOZRCKVHRXIQX-UHFFFAOYSA-N -1 1 373.815 4.491 20 0 FIADMM Cc1cc(Br)c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263098086 1099761991 /nfs/dbraw/zinc/76/19/91/1099761991.db2.gz VZPBZPYQXIUFRX-GHMZBOCLSA-N -1 1 360.679 4.096 20 0 FIADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000263393446 1099786770 /nfs/dbraw/zinc/78/67/70/1099786770.db2.gz FXPRIFOENQZAMM-OAHLLOKOSA-N -1 1 364.239 4.148 20 0 FIADMM O=C([O-])CCc1cccc(NC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000263535146 1099802786 /nfs/dbraw/zinc/80/27/86/1099802786.db2.gz YTIPSANJNFVFFZ-UHFFFAOYSA-N -1 1 372.896 4.434 20 0 FIADMM O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc([O-])cc1F ZINC000437491027 1099953262 /nfs/dbraw/zinc/95/32/62/1099953262.db2.gz GDWREKUOBDVQSC-AULYBMBSSA-N -1 1 353.315 4.226 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3Cc4ccccc4O3)n2)cc(Cl)c1[O-] ZINC000445412043 1100291853 /nfs/dbraw/zinc/29/18/53/1100291853.db2.gz LVVZZHWRWBXUGU-HNNXBMFYSA-N -1 1 358.781 4.171 20 0 FIADMM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000426083509 1100794293 /nfs/dbraw/zinc/79/42/93/1100794293.db2.gz GXJMJWPVKJTOFB-LJQANCHMSA-N -1 1 370.355 4.054 20 0 FIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc2ncccc2c1 ZINC000438769779 1100906561 /nfs/dbraw/zinc/90/65/61/1100906561.db2.gz CTEOHFBTDWKHBW-UHFFFAOYSA-N -1 1 366.364 4.140 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000509577175 1100971057 /nfs/dbraw/zinc/97/10/57/1100971057.db2.gz KLGZQZCCWWASOA-UHFFFAOYSA-N -1 1 357.456 4.419 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)sc1C ZINC000536903832 1101328274 /nfs/dbraw/zinc/32/82/74/1101328274.db2.gz FQMKWMBKCQTTOR-UHFFFAOYSA-N -1 1 364.261 4.067 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000536992426 1101374342 /nfs/dbraw/zinc/37/43/42/1101374342.db2.gz FYOIUXQZRKNUBU-UHFFFAOYSA-N -1 1 373.396 4.129 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(OC2CCCC2)c1 ZINC000518726626 1101473879 /nfs/dbraw/zinc/47/38/79/1101473879.db2.gz TWFAGOPQDBUYQC-UHFFFAOYSA-N -1 1 363.417 4.356 20 0 FIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc21 ZINC000439569933 1101571591 /nfs/dbraw/zinc/57/15/91/1101571591.db2.gz JBNZYCFGONCWGM-UHFFFAOYSA-N -1 1 351.427 4.160 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1cccc2ccccc21 ZINC000439574661 1101577535 /nfs/dbraw/zinc/57/75/35/1101577535.db2.gz RPCFLOHSXKMFEI-UHFFFAOYSA-N -1 1 361.426 4.098 20 0 FIADMM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1c(F)ccc([O-])c1F ZINC000537241145 1101579558 /nfs/dbraw/zinc/57/95/58/1101579558.db2.gz NFIHLXDOEYCJDE-UHFFFAOYSA-N -1 1 351.780 4.176 20 0 FIADMM COc1cc(C(=O)N(Cc2ccccc2)CC2CCC2)cc(Cl)c1[O-] ZINC000460185432 1101689187 /nfs/dbraw/zinc/68/91/87/1101689187.db2.gz KNVSFRMCWIGORX-UHFFFAOYSA-N -1 1 359.853 4.497 20 0 FIADMM COC(=O)c1c[n-]c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1 ZINC000187598640 1101812511 /nfs/dbraw/zinc/81/25/11/1101812511.db2.gz LCTWARYUAYVHPF-UHFFFAOYSA-N -1 1 363.826 4.105 20 0 FIADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)ccc2O1 ZINC000439878819 1101866302 /nfs/dbraw/zinc/86/63/02/1101866302.db2.gz CYAGNZIOUHRGNR-UHFFFAOYSA-N -1 1 371.380 4.220 20 0 FIADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cnc([C@H]2CCCO2)s1 ZINC000760312933 1101902759 /nfs/dbraw/zinc/90/27/59/1101902759.db2.gz WZWIFDUWFYUEOR-LLVKDONJSA-N -1 1 364.496 4.146 20 0 FIADMM CC(C)(C)CCCC[N-]S(=O)(=O)c1sccc1Br ZINC000519150933 1101971692 /nfs/dbraw/zinc/97/16/92/1101971692.db2.gz UTQFVIOMDRVMDV-UHFFFAOYSA-N -1 1 354.335 4.005 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(Cl)ccc1Cl ZINC000519216454 1102013249 /nfs/dbraw/zinc/01/32/49/1102013249.db2.gz LDSUQWQUAZZAFI-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000393167953 1102023879 /nfs/dbraw/zinc/02/38/79/1102023879.db2.gz NKHZRLJQRSIKAI-UHFFFAOYSA-N -1 1 360.410 4.262 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1C ZINC000032600002 1102050964 /nfs/dbraw/zinc/05/09/64/1102050964.db2.gz SQRLQMWBMZVPJE-UHFFFAOYSA-N -1 1 359.369 4.045 20 0 FIADMM CC(C)Sc1cc(Br)ccc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000263378181 1102096840 /nfs/dbraw/zinc/09/68/40/1102096840.db2.gz BBFULLZBOHIYLL-CYBMUJFWSA-N -1 1 372.328 4.246 20 0 FIADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000263371077 1102099543 /nfs/dbraw/zinc/09/95/43/1102099543.db2.gz VJNLXPDIQFSIMD-WCQYABFASA-N -1 1 350.871 4.006 20 0 FIADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000263432292 1102138917 /nfs/dbraw/zinc/13/89/17/1102138917.db2.gz SPCKYLDKIMJEHT-HNNXBMFYSA-N -1 1 353.340 4.405 20 0 FIADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897893385 1102145628 /nfs/dbraw/zinc/14/56/28/1102145628.db2.gz YLWOTSLLUMFTFP-JQWIXIFHSA-N -1 1 353.340 4.054 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000897992782 1102159110 /nfs/dbraw/zinc/15/91/10/1102159110.db2.gz GSTNJYBTMSXNRO-NSHDSACASA-N -1 1 353.340 4.056 20 0 FIADMM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000506846709 1102433818 /nfs/dbraw/zinc/43/38/18/1102433818.db2.gz KMKPASODYPGWPS-AWEZNQCLSA-N -1 1 350.509 4.236 20 0 FIADMM CCc1nc(CNCc2ccc(-c3cccc(F)c3)s2)ccc1C(=O)[O-] ZINC000426659823 1102433921 /nfs/dbraw/zinc/43/39/21/1102433921.db2.gz JAGGTIMBFDTONF-UHFFFAOYSA-N -1 1 370.449 4.500 20 0 FIADMM O=C(Nc1ccc2[nH]ccc2c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000103583356 1102464858 /nfs/dbraw/zinc/46/48/58/1102464858.db2.gz IMZJSCRRSIZTRK-UHFFFAOYSA-N -1 1 363.417 4.000 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cc(F)ccc1F ZINC000216472977 1102470715 /nfs/dbraw/zinc/47/07/15/1102470715.db2.gz VXHRVCHQGAWDAM-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000532622294 1102597853 /nfs/dbraw/zinc/59/78/53/1102597853.db2.gz XAQBKSYCIRJCGI-NEPJUHHUSA-N -1 1 355.287 4.172 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2OC(C)C)c1 ZINC000122624984 1102602051 /nfs/dbraw/zinc/60/20/51/1102602051.db2.gz LHPNIZORPZJENX-UHFFFAOYSA-N -1 1 362.813 4.044 20 0 FIADMM Cc1ncoc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000476685244 1102707718 /nfs/dbraw/zinc/70/77/18/1102707718.db2.gz GWQGGPYTFJXJPH-UHFFFAOYSA-N -1 1 366.855 4.033 20 0 FIADMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000101850539 1102737835 /nfs/dbraw/zinc/73/78/35/1102737835.db2.gz UEJFLAQUXKKVGD-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000614829563 1102745319 /nfs/dbraw/zinc/74/53/19/1102745319.db2.gz QZLXEIVJTQGBJB-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000124970670 1102801757 /nfs/dbraw/zinc/80/17/57/1102801757.db2.gz GUZJZJSZHPNWMN-UHFFFAOYSA-N -1 1 372.849 4.109 20 0 FIADMM O=S(=O)([N-]c1ccc(SCc2cccnc2)cc1)c1cccc(F)c1 ZINC000123164246 1102815258 /nfs/dbraw/zinc/81/52/58/1102815258.db2.gz ONBIPJSYWCXLPD-UHFFFAOYSA-N -1 1 374.462 4.314 20 0 FIADMM CSc1ccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)o1 ZINC000112228380 1102821154 /nfs/dbraw/zinc/82/11/54/1102821154.db2.gz JIBGFXQCKSQANQ-UHFFFAOYSA-N -1 1 363.489 4.398 20 0 FIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([O-])c(Cl)c3)[nH]c2c1 ZINC000061633115 1102841449 /nfs/dbraw/zinc/84/14/49/1102841449.db2.gz IRHQBZSHCRAAIR-MRXNPFEDSA-N -1 1 355.825 4.208 20 0 FIADMM COc1ccc(C)cc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551057184 1102873306 /nfs/dbraw/zinc/87/33/06/1102873306.db2.gz SMIORRFMICFKQH-INIZCTEOSA-N -1 1 367.367 4.328 20 0 FIADMM Cc1ccc([C@@H](NCc2cc(Cl)ccc2Br)C(=O)[O-])cc1 ZINC000426686648 1102920699 /nfs/dbraw/zinc/92/06/99/1102920699.db2.gz NLSNQWNPMBZCMK-OAHLLOKOSA-N -1 1 368.658 4.326 20 0 FIADMM CN(C(=O)c1csc(=NC2CC2)[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000476876810 1102923114 /nfs/dbraw/zinc/92/31/14/1102923114.db2.gz ZNRYFXSSGBLOMA-UHFFFAOYSA-N -1 1 365.458 4.208 20 0 FIADMM COc1ccc(Oc2ccc(CNCc3cc(C(=O)[O-])co3)cc2)cc1 ZINC000426699746 1102928337 /nfs/dbraw/zinc/92/83/37/1102928337.db2.gz LXDJSWSDCRSDMW-UHFFFAOYSA-N -1 1 353.374 4.069 20 0 FIADMM Cc1ccc([C@@H](NCc2cc(Br)ccc2Cl)C(=O)[O-])cc1 ZINC000426707137 1102933954 /nfs/dbraw/zinc/93/39/54/1102933954.db2.gz ZYBVYRMRZZCXKM-OAHLLOKOSA-N -1 1 368.658 4.326 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426720734 1102939493 /nfs/dbraw/zinc/93/94/93/1102939493.db2.gz OTILTCJFDSRHKN-LRDDRELGSA-N -1 1 358.488 4.423 20 0 FIADMM Cc1cccc([C@@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1C ZINC000426737876 1102956050 /nfs/dbraw/zinc/95/60/50/1102956050.db2.gz RADYFSMHBCMCOQ-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM Cc1cc(C)cc([C@@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000426748809 1102966076 /nfs/dbraw/zinc/96/60/76/1102966076.db2.gz AGOJPBXLYCEMIH-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM Cc1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Br)c1 ZINC000426753578 1102969090 /nfs/dbraw/zinc/96/90/90/1102969090.db2.gz JHTYFXQBUFMEHD-GUYCJALGSA-N -1 1 362.267 4.309 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1F ZINC000426770063 1102976770 /nfs/dbraw/zinc/97/67/70/1102976770.db2.gz ORDQXBFRIGARSH-AWEZNQCLSA-N -1 1 361.722 4.413 20 0 FIADMM COc1cccc(C[C@H](NCc2ccc(-c3ccc(C)cc3)o2)C(=O)[O-])c1 ZINC000426783412 1102984954 /nfs/dbraw/zinc/98/49/54/1102984954.db2.gz JQEFDSGNTNZIHE-FQEVSTJZSA-N -1 1 365.429 4.049 20 0 FIADMM COc1ccccc1-c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426787134 1102990677 /nfs/dbraw/zinc/99/06/77/1102990677.db2.gz BCNKEYPXDNYNDC-OAQYLSRUSA-N -1 1 365.404 4.417 20 0 FIADMM CCc1ccc([C@H](NCc2cc(Br)ccc2F)C(=O)[O-])cc1 ZINC000426798442 1102997836 /nfs/dbraw/zinc/99/78/36/1102997836.db2.gz IWIFCPYYGBKMIF-INIZCTEOSA-N -1 1 366.230 4.066 20 0 FIADMM CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc([O-])c1Cl ZINC000506978349 1103003206 /nfs/dbraw/zinc/00/32/06/1103003206.db2.gz HEHDBOMWGOEIHE-UHFFFAOYSA-N -1 1 373.667 4.423 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2c(Cl)oc3ccccc32)c1 ZINC000426804478 1103003773 /nfs/dbraw/zinc/00/37/73/1103003773.db2.gz UTOFWDZATROXMZ-INIZCTEOSA-N -1 1 359.809 4.400 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1 ZINC000426812765 1103007706 /nfs/dbraw/zinc/00/77/06/1103007706.db2.gz RZABFPOBCUVLRS-QGZVFWFLSA-N -1 1 355.825 4.036 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc3ccccc3c2)c1OC ZINC000426814667 1103009999 /nfs/dbraw/zinc/00/99/99/1103009999.db2.gz AEPOQXPWIOFYAR-IBGZPJMESA-N -1 1 365.429 4.163 20 0 FIADMM O=C([O-])C[C@H](NCc1sccc1Br)c1cccc(Cl)c1 ZINC000426816493 1103011077 /nfs/dbraw/zinc/01/10/77/1103011077.db2.gz KXMXBIRKXLODHW-LBPRGKRZSA-N -1 1 374.687 4.470 20 0 FIADMM O=C([O-])C[C@@H](NCc1cnc(-c2ccccn2)s1)c1cccc(Cl)c1 ZINC000426819200 1103012018 /nfs/dbraw/zinc/01/20/18/1103012018.db2.gz UXTQBSKXYFZLTA-MRXNPFEDSA-N -1 1 373.865 4.164 20 0 FIADMM CCc1ccc([C@H](NCc2cc(F)ccc2Br)C(=O)[O-])cc1 ZINC000426822724 1103018476 /nfs/dbraw/zinc/01/84/76/1103018476.db2.gz FIBVPKGOYDLPQV-INIZCTEOSA-N -1 1 366.230 4.066 20 0 FIADMM CCCOc1ccc(CN(CCC)C(=O)c2ncccc2[O-])cc1OCC ZINC000426828856 1103028026 /nfs/dbraw/zinc/02/80/26/1103028026.db2.gz WXORHTPTDBAHHM-UHFFFAOYSA-N -1 1 372.465 4.027 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C3CC3)ccc2C)c1 ZINC000477227325 1103259571 /nfs/dbraw/zinc/25/95/71/1103259571.db2.gz FVPGLJOXQNZAGH-HNNXBMFYSA-N -1 1 372.490 4.089 20 0 FIADMM CCCc1nc(C)c(C(=O)Nc2c([O-])cc(Br)cc2Cl)o1 ZINC000519599525 1103274001 /nfs/dbraw/zinc/27/40/01/1103274001.db2.gz BJYQUBSOBZTAMY-UHFFFAOYSA-N -1 1 373.634 4.309 20 0 FIADMM O=C(c1cc(F)ccc1F)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507605983 1103523688 /nfs/dbraw/zinc/52/36/88/1103523688.db2.gz YDVDBNAKLPBNJH-UHFFFAOYSA-N -1 1 365.807 4.419 20 0 FIADMM COc1cccc(C2(c3noc(-c4cc(SC)ccc4[O-])n3)CC2)c1 ZINC000664883190 1103680213 /nfs/dbraw/zinc/68/02/13/1103680213.db2.gz XFIUONQDRSVFMW-UHFFFAOYSA-N -1 1 354.431 4.253 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2sccc2Br)[n-]1 ZINC000519674228 1103771832 /nfs/dbraw/zinc/77/18/32/1103771832.db2.gz SJGGKOGPTAYKBE-UHFFFAOYSA-N -1 1 353.213 4.236 20 0 FIADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000025741090 1104141278 /nfs/dbraw/zinc/14/12/78/1104141278.db2.gz FHUBEMHHXGCFDY-UHFFFAOYSA-N -1 1 360.479 4.089 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025741908 1104143625 /nfs/dbraw/zinc/14/36/25/1104143625.db2.gz GXFUJOHEVUERIK-UHFFFAOYSA-N -1 1 360.479 4.034 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc(C)c1F ZINC000467419806 1104283725 /nfs/dbraw/zinc/28/37/25/1104283725.db2.gz PMLLPKZVMGYERF-UHFFFAOYSA-N -1 1 365.323 4.401 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c1 ZINC000188555142 1104728458 /nfs/dbraw/zinc/72/84/58/1104728458.db2.gz FHYSQCHNTHWCDZ-UHFFFAOYSA-N -1 1 353.390 4.192 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc2cccnc21 ZINC000427628175 1105154750 /nfs/dbraw/zinc/15/47/50/1105154750.db2.gz GFZNDBAHNAKBOU-UHFFFAOYSA-N -1 1 364.426 4.197 20 0 FIADMM O=S(=O)([N-][C@@H](c1cccc2ccccc21)C(F)(F)F)c1ccoc1 ZINC000508204083 1105357516 /nfs/dbraw/zinc/35/75/16/1105357516.db2.gz JUZLPIOZZOEZSM-HNNXBMFYSA-N -1 1 355.337 4.015 20 0 FIADMM O=S(=O)([N-]c1cccc(C2CCOCC2)c1)c1cccc(Cl)c1 ZINC000530144282 1106860220 /nfs/dbraw/zinc/86/02/20/1106860220.db2.gz FKWYPRNJDNIQNE-UHFFFAOYSA-N -1 1 351.855 4.035 20 0 FIADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146626 1106863655 /nfs/dbraw/zinc/86/36/55/1106863655.db2.gz MYKOTJZUOCTADU-UHFFFAOYSA-N -1 1 353.871 4.411 20 0 FIADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(Br)ccc1Cl ZINC000530177682 1106905042 /nfs/dbraw/zinc/90/50/42/1106905042.db2.gz XVPZCUXPRHJYCE-JGPRNRPPSA-N -1 1 360.679 4.176 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(NCC(F)(F)F)c2)c1 ZINC000451094462 1106924471 /nfs/dbraw/zinc/92/44/71/1106924471.db2.gz XXZVEURRPAOLOS-UHFFFAOYSA-N -1 1 358.385 4.024 20 0 FIADMM Cc1cc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1Cl ZINC000301342835 1106998440 /nfs/dbraw/zinc/99/84/40/1106998440.db2.gz JFXWJNIBWYHNHZ-UHFFFAOYSA-N -1 1 352.781 4.275 20 0 FIADMM Cc1ccccc1OCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301421955 1107027086 /nfs/dbraw/zinc/02/70/86/1107027086.db2.gz SMPBIZDHTHVBKH-UHFFFAOYSA-N -1 1 364.449 4.050 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1C ZINC000614737756 1107453494 /nfs/dbraw/zinc/45/34/94/1107453494.db2.gz GISAMKJEZUFLGP-UHFFFAOYSA-N -1 1 374.506 4.185 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C)n1 ZINC000531037040 1107471019 /nfs/dbraw/zinc/47/10/19/1107471019.db2.gz IHGHBHDWLGRULG-UHFFFAOYSA-N -1 1 368.458 4.078 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1OCC ZINC000614750726 1107624866 /nfs/dbraw/zinc/62/48/66/1107624866.db2.gz BABXAJXHGCXAOJ-UHFFFAOYSA-N -1 1 369.870 4.247 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000614785396 1107767325 /nfs/dbraw/zinc/76/73/25/1107767325.db2.gz YTAFXVHOVQNOGK-UHFFFAOYSA-N -1 1 372.421 4.467 20 0 FIADMM C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000531762574 1108151287 /nfs/dbraw/zinc/15/12/87/1108151287.db2.gz LVVJWLUBNAKAKG-MEDUHNTESA-N -1 1 350.340 4.029 20 0 FIADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3scnc3C3CCCC3)[nH][n-]2)c1 ZINC000444782728 1108157468 /nfs/dbraw/zinc/15/74/68/1108157468.db2.gz JCQWXSIIDJWOKZ-UHFFFAOYSA-N -1 1 370.453 4.313 20 0 FIADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000531780558 1108171710 /nfs/dbraw/zinc/17/17/10/1108171710.db2.gz AOBMLLZYYGJKFD-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM CCOc1cc(-c2noc(C3(C(F)(F)F)CCC3)n2)cc(Cl)c1[O-] ZINC000453168801 1108241667 /nfs/dbraw/zinc/24/16/67/1108241667.db2.gz TUFRMQAKSRKQHG-UHFFFAOYSA-N -1 1 362.735 4.478 20 0 FIADMM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000445272750 1108592357 /nfs/dbraw/zinc/59/23/57/1108592357.db2.gz FJHPXVIHIPXSGI-LBPRGKRZSA-N -1 1 369.396 4.276 20 0 FIADMM CC[C@]1(C)C[C@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445392178 1108708300 /nfs/dbraw/zinc/70/83/00/1108708300.db2.gz LJSTVLVDYWSJKS-BJOHPYRUSA-N -1 1 353.216 4.117 20 0 FIADMM CCCC1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CC1 ZINC000445392667 1108708371 /nfs/dbraw/zinc/70/83/71/1108708371.db2.gz NLTLIXYSFXAQOS-UHFFFAOYSA-N -1 1 353.216 4.045 20 0 FIADMM CC(=O)c1cccc(O[C@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445449190 1108752315 /nfs/dbraw/zinc/75/23/15/1108752315.db2.gz UNSXCMWKAYKTQZ-LLVKDONJSA-N -1 1 358.781 4.438 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)cnn1-c1ccccc1F ZINC000445444412 1108769186 /nfs/dbraw/zinc/76/91/86/1108769186.db2.gz FQUZDPYYUDRTHD-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445444934 1108771558 /nfs/dbraw/zinc/77/15/58/1108771558.db2.gz HVPLOFKNJISJAN-ZUZCIYMTSA-N -1 1 369.808 4.357 20 0 FIADMM CCC(=O)c1ccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445446201 1108773353 /nfs/dbraw/zinc/77/33/53/1108773353.db2.gz LGAHWCIZGNQDEV-UHFFFAOYSA-N -1 1 358.781 4.267 20 0 FIADMM [O-]c1ccc(-c2noc(CCCc3nc4ccccc4s3)n2)c(F)c1 ZINC000445456441 1108790001 /nfs/dbraw/zinc/79/00/01/1108790001.db2.gz OHLOLNSAMZGBJG-UHFFFAOYSA-N -1 1 355.394 4.366 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1-c1ccccn1 ZINC000445457086 1108791993 /nfs/dbraw/zinc/79/19/93/1108791993.db2.gz RKPPVSFJPMWMKO-UHFFFAOYSA-N -1 1 363.348 4.319 20 0 FIADMM COc1ccc(-c2cncc(-c3nc(-c4ccc([O-])cc4F)no3)c2)cc1 ZINC000445458318 1108792673 /nfs/dbraw/zinc/79/26/73/1108792673.db2.gz RYHFFIDXJSPBOM-UHFFFAOYSA-N -1 1 363.348 4.319 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(-c4nc(C5CC5)no4)cc3)n2)c(F)c1 ZINC000445459124 1108793619 /nfs/dbraw/zinc/79/36/19/1108793619.db2.gz XTEQRTWXMXTJLJ-UHFFFAOYSA-N -1 1 364.336 4.176 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(Cc4ccc(F)cc4)s3)n2)c(F)c1 ZINC000445459969 1108794507 /nfs/dbraw/zinc/79/45/07/1108794507.db2.gz KQRJYPIAQKWFII-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM COc1ccc(C2(c3nc(-c4ccc([O-])cc4F)no3)CCC2)cc1OC ZINC000445460361 1108794568 /nfs/dbraw/zinc/79/45/68/1108794568.db2.gz QVPQSZKYXPPHNR-UHFFFAOYSA-N -1 1 370.380 4.069 20 0 FIADMM Cc1cc(C)n(Cc2cccc(-c3nc(-c4ccc([O-])cc4F)no3)c2)n1 ZINC000445460996 1108796199 /nfs/dbraw/zinc/79/61/99/1108796199.db2.gz DKSGDLQLDPSCHE-UHFFFAOYSA-N -1 1 364.380 4.110 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1-c1ccccn1 ZINC000445478613 1108798389 /nfs/dbraw/zinc/79/83/89/1108798389.db2.gz FBLDPSDWDHTSKN-UHFFFAOYSA-N -1 1 363.348 4.319 20 0 FIADMM [O-]c1ccc(-c2noc(-c3csc(CCc4ccccc4)n3)n2)cc1F ZINC000445485036 1108806135 /nfs/dbraw/zinc/80/61/35/1108806135.db2.gz ZRHGWANHNBZCPG-UHFFFAOYSA-N -1 1 367.405 4.490 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)cc1F ZINC000445475919 1108814399 /nfs/dbraw/zinc/81/43/99/1108814399.db2.gz WLRIWBUFXFHKQU-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccn(-c4cccc(Cl)c4)n3)n2)cc1F ZINC000445476443 1108816197 /nfs/dbraw/zinc/81/61/97/1108816197.db2.gz CPMZSWGCAAWLEX-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1noc(-c2ccccc2)n1 ZINC000446060867 1109099885 /nfs/dbraw/zinc/09/98/85/1109099885.db2.gz LEXUMFLINPZGEV-MRVPVSSYSA-N -1 1 368.340 4.104 20 0 FIADMM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000525070371 1109257611 /nfs/dbraw/zinc/25/76/11/1109257611.db2.gz VKRGFMKYHXBHOA-JKSUJKDBSA-N -1 1 372.490 4.252 20 0 FIADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)[nH]n2)o1 ZINC000446616780 1109290331 /nfs/dbraw/zinc/29/03/31/1109290331.db2.gz FODLCWJNYJPFJH-UHFFFAOYSA-N -1 1 372.233 4.086 20 0 FIADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000446788734 1109338706 /nfs/dbraw/zinc/33/87/06/1109338706.db2.gz ZASQDVJDBWYLSN-UHFFFAOYSA-N -1 1 353.875 4.053 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)sc1C ZINC000447266523 1109490561 /nfs/dbraw/zinc/49/05/61/1109490561.db2.gz XHTGSWJJGNXWOM-UHFFFAOYSA-N -1 1 369.361 4.045 20 0 FIADMM Cc1ccc([C@]2(C)CCN(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000447691316 1109621978 /nfs/dbraw/zinc/62/19/78/1109621978.db2.gz QFCUBFGJWUTLIL-LJQANCHMSA-N -1 1 374.278 4.267 20 0 FIADMM CCc1noc(CC)c1CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539826 1110284568 /nfs/dbraw/zinc/28/45/68/1110284568.db2.gz VQINXPPBPQZQAC-UHFFFAOYSA-N -1 1 358.825 4.493 20 0 FIADMM CC[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1nc(C(F)(F)F)cs1 ZINC000538388738 1111119649 /nfs/dbraw/zinc/11/96/49/1111119649.db2.gz XSOQNFHHMNLZPF-SSDOTTSWSA-N -1 1 366.311 4.027 20 0 FIADMM CCSc1nnc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)s1 ZINC000538448381 1111145566 /nfs/dbraw/zinc/14/55/66/1111145566.db2.gz MQXVRYVFTOORLO-UHFFFAOYSA-N -1 1 366.855 4.211 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2sccc2Br)c(F)c1 ZINC000538544757 1111178517 /nfs/dbraw/zinc/17/85/17/1111178517.db2.gz RGBBZHRRDHQCCJ-UHFFFAOYSA-N -1 1 360.179 4.244 20 0 FIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000461418031 1111205161 /nfs/dbraw/zinc/20/51/61/1111205161.db2.gz APISLNMEGIISBX-UHFFFAOYSA-N -1 1 359.491 4.451 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCC1)c1cc(F)c(F)cc1F ZINC000552481121 1111715927 /nfs/dbraw/zinc/71/59/27/1111715927.db2.gz SRYUQAHXYJFFOL-QGZVFWFLSA-N -1 1 373.371 4.063 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(F)c(C(C)=O)c2)cc(Cl)c1[O-] ZINC000552872277 1111831941 /nfs/dbraw/zinc/83/19/41/1111831941.db2.gz ZNFWVFNKEFZDOC-UHFFFAOYSA-N -1 1 351.761 4.038 20 0 FIADMM Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)sc1C ZINC000479107487 1111949605 /nfs/dbraw/zinc/94/96/05/1111949605.db2.gz LDXUCABWSYYCQZ-CYBMUJFWSA-N -1 1 367.389 4.086 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C)c1 ZINC000479480747 1112038810 /nfs/dbraw/zinc/03/88/10/1112038810.db2.gz PIRCVTCGKZUWBO-UHFFFAOYSA-N -1 1 362.476 4.194 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2ccc3ncsc3c2)cccc1C(F)(F)F ZINC000479527477 1112053688 /nfs/dbraw/zinc/05/36/88/1112053688.db2.gz YMKYJTXLULRJBA-UHFFFAOYSA-N -1 1 372.393 4.424 20 0 FIADMM COc1ccc(CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](C)C2CC2)cc1 ZINC000554507578 1112380748 /nfs/dbraw/zinc/38/07/48/1112380748.db2.gz JEWPWWHQBVRZBV-ZDUSSCGKSA-N -1 1 359.853 4.495 20 0 FIADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1 ZINC000555144909 1112692983 /nfs/dbraw/zinc/69/29/83/1112692983.db2.gz VGAVCBFDCDJEAE-UHFFFAOYSA-N -1 1 356.472 4.271 20 0 FIADMM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000600135779 1112904711 /nfs/dbraw/zinc/90/47/11/1112904711.db2.gz LKAAYMMQULANOW-NWDGAFQWSA-N -1 1 361.825 4.117 20 0 FIADMM O=c1nc(CN2CCC[C@H](c3ccc(F)cc3)CC2)[n-]c2ccsc21 ZINC000481479402 1112956496 /nfs/dbraw/zinc/95/64/96/1112956496.db2.gz DOIJOYWCYYUTRW-ZDUSSCGKSA-N -1 1 357.454 4.306 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481969236 1113143063 /nfs/dbraw/zinc/14/30/63/1113143063.db2.gz FYGWPWUWHHBGBH-UHFFFAOYSA-N -1 1 353.390 4.005 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000481984557 1113145031 /nfs/dbraw/zinc/14/50/31/1113145031.db2.gz VJHLCWFIEFDWDX-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000042351025 1113209521 /nfs/dbraw/zinc/20/95/21/1113209521.db2.gz VXIOBKFFXBJNMX-SNVBAGLBSA-N -1 1 354.335 4.148 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)Oc2ccccc2F)c1 ZINC000482539520 1113290890 /nfs/dbraw/zinc/29/08/90/1113290890.db2.gz WMLARGIRDFBLFX-SNVBAGLBSA-N -1 1 368.202 4.008 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)Cn2ccc3ccccc32)c1 ZINC000482573769 1113300972 /nfs/dbraw/zinc/30/09/72/1113300972.db2.gz GIJMIHUXCALDTN-UHFFFAOYSA-N -1 1 359.223 4.057 20 0 FIADMM COc1cccc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000482639104 1113317168 /nfs/dbraw/zinc/31/71/68/1113317168.db2.gz YLEKSGLZIUDFMD-UHFFFAOYSA-N -1 1 364.239 4.043 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)c2ccccc2F)c1 ZINC000482655918 1113324513 /nfs/dbraw/zinc/32/45/13/1113324513.db2.gz GSCQLVCBQFNRCV-JTQLQIEISA-N -1 1 352.203 4.344 20 0 FIADMM CCCCn1ncc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1C ZINC000482694005 1113332519 /nfs/dbraw/zinc/33/25/19/1113332519.db2.gz NVNJMPDXIVVFHU-UHFFFAOYSA-N -1 1 366.259 4.020 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000482726370 1113340868 /nfs/dbraw/zinc/34/08/68/1113340868.db2.gz XVVWHSAWGORHGJ-UHFFFAOYSA-N -1 1 363.186 4.336 20 0 FIADMM COc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc(Cl)c1[O-] ZINC000460185696 1113556619 /nfs/dbraw/zinc/55/66/19/1113556619.db2.gz OEEUJFCPKDIVGD-ZDUSSCGKSA-N -1 1 359.853 4.495 20 0 FIADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000486806243 1113653975 /nfs/dbraw/zinc/65/39/75/1113653975.db2.gz WURSPKGWMPKHRG-MRXNPFEDSA-N -1 1 374.278 4.310 20 0 FIADMM Cc1ccc(OCCCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)c1 ZINC000486834643 1113655859 /nfs/dbraw/zinc/65/58/59/1113655859.db2.gz PFRKCZNCWHNBRW-UHFFFAOYSA-N -1 1 365.433 4.197 20 0 FIADMM Cc1c(CNC(=O)c2ccc(Br)c([O-])c2)oc2ccccc12 ZINC000486843908 1113658558 /nfs/dbraw/zinc/65/85/58/1113658558.db2.gz LVILNCMSALGRAB-UHFFFAOYSA-N -1 1 360.207 4.139 20 0 FIADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709785 1113687327 /nfs/dbraw/zinc/68/73/27/1113687327.db2.gz TUKWRGJQCHNTDG-VHSXEESVSA-N -1 1 352.253 4.267 20 0 FIADMM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985147 1113800243 /nfs/dbraw/zinc/80/02/43/1113800243.db2.gz XLYOVYKPVVHIPR-UHFFFAOYSA-N -1 1 367.421 4.041 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CC[C@@H]1c1ccccc1 ZINC000487757615 1113801728 /nfs/dbraw/zinc/80/17/28/1113801728.db2.gz JZTMTTIYDPLARX-CJNGLKHVSA-N -1 1 374.278 4.421 20 0 FIADMM C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000488916989 1114014680 /nfs/dbraw/zinc/01/46/80/1114014680.db2.gz MZGBETIMYUIIFR-CQSZACIVSA-N -1 1 369.490 4.304 20 0 FIADMM C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000488916989 1114014686 /nfs/dbraw/zinc/01/46/86/1114014686.db2.gz MZGBETIMYUIIFR-CQSZACIVSA-N -1 1 369.490 4.304 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2nc(-c3ccccc3F)oc2C)s1 ZINC000151145249 1114303617 /nfs/dbraw/zinc/30/36/17/1114303617.db2.gz PXESDJAOBYKLRV-UHFFFAOYSA-N -1 1 360.414 4.236 20 0 FIADMM CN(CCCOc1ccccc1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000571171986 1114442297 /nfs/dbraw/zinc/44/22/97/1114442297.db2.gz HKUWQZVPHCRTFR-KRWDZBQOSA-N -1 1 351.805 4.006 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1Cl ZINC000571471568 1114466895 /nfs/dbraw/zinc/46/68/95/1114466895.db2.gz QWUWHCUAVYKPPZ-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccc([O-])cc1F ZINC000156748497 1114542247 /nfs/dbraw/zinc/54/22/47/1114542247.db2.gz RBRVPVWNZORXDN-UHFFFAOYSA-N -1 1 350.340 4.052 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)c(C)s1 ZINC000588834103 1114655467 /nfs/dbraw/zinc/65/54/67/1114655467.db2.gz NUKBBBWBAGKHSG-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)COC2 ZINC000589937956 1114865476 /nfs/dbraw/zinc/86/54/76/1114865476.db2.gz COLRSLVLKILVGQ-UHFFFAOYSA-N -1 1 367.426 4.310 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c(C)s1 ZINC000590528411 1114948132 /nfs/dbraw/zinc/94/81/32/1114948132.db2.gz CCSTWTLFNSZHIO-UHFFFAOYSA-N -1 1 367.883 4.005 20 0 FIADMM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000573095036 1115049142 /nfs/dbraw/zinc/04/91/42/1115049142.db2.gz VJJHMZZSUUDMEG-UHFFFAOYSA-N -1 1 358.772 4.482 20 0 FIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000591684237 1115122293 /nfs/dbraw/zinc/12/22/93/1115122293.db2.gz PNTGVMMASXSTHH-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM CCOc1cc(C)ccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000058565935 1115264340 /nfs/dbraw/zinc/26/43/40/1115264340.db2.gz DCXSCZVDGYZCLZ-UHFFFAOYSA-N -1 1 374.491 4.015 20 0 FIADMM CC(C)[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1F ZINC000574202209 1115294338 /nfs/dbraw/zinc/29/43/38/1115294338.db2.gz FHHVOVQJKQUDEB-ZDUSSCGKSA-N -1 1 371.384 4.014 20 0 FIADMM CCSCc1ccnc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c1 ZINC000594722105 1115478753 /nfs/dbraw/zinc/47/87/53/1115478753.db2.gz YRVPODNXTGFQPZ-UHFFFAOYSA-N -1 1 374.890 4.069 20 0 FIADMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2s1 ZINC000575088094 1115544312 /nfs/dbraw/zinc/54/43/12/1115544312.db2.gz YHQZPYMBWJPURA-UHFFFAOYSA-N -1 1 370.402 4.043 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C(C)(C)C)no3)c2)cc1 ZINC000598612296 1115739548 /nfs/dbraw/zinc/73/95/48/1115739548.db2.gz CHOAQIMXRTWYHN-UHFFFAOYSA-N -1 1 371.462 4.143 20 0 FIADMM COc1cccc(C(C)=C([O-])Nc2nc(-c3ccccc3Cl)ns2)c1 ZINC000599727049 1115839987 /nfs/dbraw/zinc/83/99/87/1115839987.db2.gz MSQVUTSYJSTIRG-LLVKDONJSA-N -1 1 373.865 4.031 20 0 FIADMM CCCC[C@@H]1CCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000171207120 1115853346 /nfs/dbraw/zinc/85/33/46/1115853346.db2.gz VVIFXNCHVJQFSM-CHWSQXEVSA-N -1 1 364.540 4.144 20 0 FIADMM CCCOc1c(Cl)cc(C(=O)Nc2c([O-])cccc2F)cc1OC ZINC000605437715 1115895301 /nfs/dbraw/zinc/89/53/01/1115895301.db2.gz PTLSEVSOVOYFEJ-UHFFFAOYSA-N -1 1 353.777 4.234 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1nccs1 ZINC000606463389 1115946159 /nfs/dbraw/zinc/94/61/59/1115946159.db2.gz UTMISUCPVOYVKE-SNVBAGLBSA-N -1 1 365.307 4.188 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1 ZINC000607031161 1115994220 /nfs/dbraw/zinc/99/42/20/1115994220.db2.gz JOBVIJLNXRBWGR-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)(C)C ZINC000607621997 1116049704 /nfs/dbraw/zinc/04/97/04/1116049704.db2.gz CLZFOSKPPCZLKF-CQSZACIVSA-N -1 1 360.479 4.108 20 0 FIADMM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000608031895 1116078955 /nfs/dbraw/zinc/07/89/55/1116078955.db2.gz VTFAXGLLBUTVSX-SMDDNHRTSA-N -1 1 362.303 4.063 20 0 FIADMM Cc1nc(-c2ccc(N3CCCC4(CCCCC4)C3)nc2)[n-]c(=O)c1C ZINC000608086090 1116081516 /nfs/dbraw/zinc/08/15/16/1116081516.db2.gz CCPYOWYWDZTCKJ-UHFFFAOYSA-N -1 1 352.482 4.412 20 0 FIADMM CSCc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000608955949 1116138005 /nfs/dbraw/zinc/13/80/05/1116138005.db2.gz WYZKPRCENQTFRV-UHFFFAOYSA-N -1 1 372.309 4.113 20 0 FIADMM CCOc1ccc(F)c([N-]C(=O)c2cnc(-c3ccccn3)s2)c1F ZINC000534034303 1116148646 /nfs/dbraw/zinc/14/86/46/1116148646.db2.gz BQHAPHODFQZJGS-UHFFFAOYSA-N -1 1 361.373 4.134 20 0 FIADMM Cc1nc(C(C)C)sc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534552781 1116212728 /nfs/dbraw/zinc/21/27/28/1116212728.db2.gz JRLLGKUJUQOYEP-UHFFFAOYSA-N -1 1 366.899 4.354 20 0 FIADMM O=C(Nc1ccc([O-])c(F)c1F)C1(c2ccccc2Cl)CCOCC1 ZINC000456779699 1116217837 /nfs/dbraw/zinc/21/78/37/1116217837.db2.gz AHJLDHMOENZYJE-UHFFFAOYSA-N -1 1 367.779 4.011 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccccc1C(F)(F)F ZINC000535288116 1116290610 /nfs/dbraw/zinc/29/06/10/1116290610.db2.gz HCXUWNVGZQWPNV-UHFFFAOYSA-N -1 1 371.771 4.485 20 0 FIADMM CC[C@@H](CC(F)F)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000457748657 1116305232 /nfs/dbraw/zinc/30/52/32/1116305232.db2.gz ZJGRXTFIIWQUCW-LBPRGKRZSA-N -1 1 368.424 4.075 20 0 FIADMM COc1ccc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000462391084 1116343751 /nfs/dbraw/zinc/34/37/51/1116343751.db2.gz QTEXTKIVQZYPLO-AWEZNQCLSA-N -1 1 350.422 4.043 20 0 FIADMM Cc1ccc(CC[C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)o1 ZINC000463080148 1117951971 /nfs/dbraw/zinc/95/19/71/1117951971.db2.gz SCQPEKQEVDSLQZ-LBPRGKRZSA-N -1 1 352.438 4.196 20 0 FIADMM Cc1nc(S[C@H](C)C(=O)Nc2cccc3ccccc32)[n-]c(=O)c1C ZINC000540712553 1118209662 /nfs/dbraw/zinc/20/96/62/1118209662.db2.gz HMSLDFPBJFFQSP-CYBMUJFWSA-N -1 1 353.447 4.072 20 0 FIADMM Cc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)[n-]c(=O)c1C ZINC000540714750 1118210796 /nfs/dbraw/zinc/21/07/96/1118210796.db2.gz GIKAIMUBMSSAQA-SECBINFHSA-N -1 1 372.277 4.225 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1C ZINC000540904363 1118304919 /nfs/dbraw/zinc/30/49/19/1118304919.db2.gz CPQCSSVYGVBIFV-UHFFFAOYSA-N -1 1 357.431 4.053 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)cc1Cl ZINC000463791375 1118324981 /nfs/dbraw/zinc/32/49/81/1118324981.db2.gz XPJPLAMJLADTML-UHFFFAOYSA-N -1 1 367.883 4.047 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1Cl ZINC000463791375 1118324988 /nfs/dbraw/zinc/32/49/88/1118324988.db2.gz XPJPLAMJLADTML-UHFFFAOYSA-N -1 1 367.883 4.047 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000464215180 1118484225 /nfs/dbraw/zinc/48/42/25/1118484225.db2.gz AFDNTQUGWGMPNA-NXEZZACHSA-N -1 1 373.799 4.126 20 0 FIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C12CCC(CC1)C2 ZINC000541398542 1118502779 /nfs/dbraw/zinc/50/27/79/1118502779.db2.gz LXUIGUJKOIUYQM-UHFFFAOYSA-N -1 1 370.474 4.006 20 0 FIADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)c1 ZINC000541526381 1118543436 /nfs/dbraw/zinc/54/34/36/1118543436.db2.gz CUAKKJUFCIFERX-OAHLLOKOSA-N -1 1 360.251 4.093 20 0 FIADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2C1 ZINC000541589068 1118578311 /nfs/dbraw/zinc/57/83/11/1118578311.db2.gz UNDJROPSVLZACD-UHFFFAOYSA-N -1 1 362.470 4.051 20 0 FIADMM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCC1 ZINC000464863527 1118728437 /nfs/dbraw/zinc/72/84/37/1118728437.db2.gz UQLAANHCXBKYBB-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C(=O)NC(C)C ZINC000172893748 1118988528 /nfs/dbraw/zinc/98/85/28/1118988528.db2.gz ZIDVTTUQAMBBNZ-UHFFFAOYSA-N -1 1 374.506 4.057 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1C(=O)NC(C)C ZINC000172893712 1118988721 /nfs/dbraw/zinc/98/87/21/1118988721.db2.gz DHSLAIPINUGYLA-UHFFFAOYSA-N -1 1 374.506 4.057 20 0 FIADMM Cc1cc(CSc2nc([O-])cc(=O)n2C2CCCC2)c2ccccc2n1 ZINC000174086667 1119091827 /nfs/dbraw/zinc/09/18/27/1119091827.db2.gz XSODGCCQCVBTBK-UHFFFAOYSA-N -1 1 367.474 4.213 20 0 FIADMM Cc1cc(CSc2nc(=O)cc([O-])n2C2CCCC2)c2ccccc2n1 ZINC000174086667 1119091829 /nfs/dbraw/zinc/09/18/29/1119091829.db2.gz XSODGCCQCVBTBK-UHFFFAOYSA-N -1 1 367.474 4.213 20 0 FIADMM COc1ccc(-c2nc(Cc3nc(-c4ccccc4)oc3C)no2)c([O-])c1 ZINC000761508306 1119403136 /nfs/dbraw/zinc/40/31/36/1119403136.db2.gz VMIPFAIJQBXDRS-UHFFFAOYSA-N -1 1 363.373 4.005 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1 ZINC000007745918 1119490765 /nfs/dbraw/zinc/49/07/65/1119490765.db2.gz LEOKQDOLFHJEHQ-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1Cl ZINC000184808800 1119624534 /nfs/dbraw/zinc/62/45/34/1119624534.db2.gz QGGMQIXYUJSYHF-UHFFFAOYSA-N -1 1 357.884 4.185 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000185766374 1119685662 /nfs/dbraw/zinc/68/56/62/1119685662.db2.gz HAAHGUFXGHXCSO-MSOLQXFVSA-N -1 1 372.490 4.026 20 0 FIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000494313462 1119830613 /nfs/dbraw/zinc/83/06/13/1119830613.db2.gz FDGDKQYAVAFGBX-UHFFFAOYSA-N -1 1 358.507 4.335 20 0 FIADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1ccccc1C(F)(F)F ZINC000190416392 1119936907 /nfs/dbraw/zinc/93/69/07/1119936907.db2.gz BXSFNOAKVJETTO-UHFFFAOYSA-N -1 1 367.751 4.440 20 0 FIADMM CCOc1cc(C(=O)Nc2ccccc2N2CCCC2)cc(Cl)c1[O-] ZINC000193068023 1120098182 /nfs/dbraw/zinc/09/81/82/1120098182.db2.gz CDKFNXQTGDTPTK-UHFFFAOYSA-N -1 1 360.841 4.297 20 0 FIADMM CCc1c(NC(=O)Nc2ccc([O-])c(Cl)c2)cnn1CCC(C)C ZINC000494916438 1120369160 /nfs/dbraw/zinc/36/91/60/1120369160.db2.gz IGAXPXVVEDXFOS-UHFFFAOYSA-N -1 1 350.850 4.495 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000176616836 1120931855 /nfs/dbraw/zinc/93/18/55/1120931855.db2.gz IEBDSNLLTJLOGJ-HOTGVXAUSA-N -1 1 372.538 4.343 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C)ccc2F)c1 ZINC000032450206 1120941795 /nfs/dbraw/zinc/94/17/95/1120941795.db2.gz ZLIPBITZFLXMIL-UHFFFAOYSA-N -1 1 356.426 4.002 20 0 FIADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000236456301 1120965607 /nfs/dbraw/zinc/96/56/07/1120965607.db2.gz ITJBPHGOJSKCRG-UGFHNGPFSA-N -1 1 372.690 4.320 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C ZINC000032588549 1121054405 /nfs/dbraw/zinc/05/44/05/1121054405.db2.gz JWGRFEPIRQZONY-UHFFFAOYSA-N -1 1 359.419 4.119 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1OCC ZINC000031721874 1121090777 /nfs/dbraw/zinc/09/07/77/1121090777.db2.gz AIDVNCUOOPQBNS-UHFFFAOYSA-N -1 1 374.462 4.075 20 0 FIADMM C/C(=C/C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000130403613 1121091067 /nfs/dbraw/zinc/09/10/67/1121091067.db2.gz TUPHZXPWNXBWBG-QINSGFPZSA-N -1 1 370.474 4.091 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c(C)c1 ZINC000032600108 1121112374 /nfs/dbraw/zinc/11/23/74/1121112374.db2.gz CPVAIWJXAXNMPJ-UHFFFAOYSA-N -1 1 359.369 4.045 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000055594910 1121255671 /nfs/dbraw/zinc/25/56/71/1121255671.db2.gz MUHLFEORMHZRMB-UHFFFAOYSA-N -1 1 366.870 4.106 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612045 1121285670 /nfs/dbraw/zinc/28/56/70/1121285670.db2.gz ZAXWNAYJDWACSO-INIZCTEOSA-N -1 1 370.474 4.091 20 0 FIADMM CC(C)COc1ccccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000763225129 1121299210 /nfs/dbraw/zinc/29/92/10/1121299210.db2.gz ODFUWVFOLZBABN-UHFFFAOYSA-N -1 1 351.406 4.069 20 0 FIADMM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000032631233 1121317493 /nfs/dbraw/zinc/31/74/93/1121317493.db2.gz KTURCESMXNLLFF-FQEVSTJZSA-N -1 1 366.417 4.282 20 0 FIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1 ZINC000063146292 1121552442 /nfs/dbraw/zinc/55/24/42/1121552442.db2.gz FOJIUDOGNOCCEE-UHFFFAOYSA-N -1 1 361.463 4.259 20 0 FIADMM O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009903457 1121566379 /nfs/dbraw/zinc/56/63/79/1121566379.db2.gz VHLVVYHRYUNCNI-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000064090095 1121600107 /nfs/dbraw/zinc/60/01/07/1121600107.db2.gz PUDXTYAJNQFAAK-UHFFFAOYSA-N -1 1 367.430 4.090 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000671773883 1121960055 /nfs/dbraw/zinc/96/00/55/1121960055.db2.gz UGCQNLRMKURCKY-TYCQWZJGSA-N -1 1 369.505 4.420 20 0 FIADMM Cc1oc(C(C)C)cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000671774100 1121960205 /nfs/dbraw/zinc/96/02/05/1121960205.db2.gz MZYHQMHODVLZMO-UHFFFAOYSA-N -1 1 355.434 4.152 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc(F)c(Br)c(Cl)c1 ZINC000671784917 1121973267 /nfs/dbraw/zinc/97/32/67/1121973267.db2.gz IQPYTFJQFQULHI-UHFFFAOYSA-N -1 1 362.557 4.339 20 0 FIADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(-c2ccncc2)cs1 ZINC000126738134 1121982221 /nfs/dbraw/zinc/98/22/21/1121982221.db2.gz ZMHGADUVRKXOPS-JTQLQIEISA-N -1 1 359.838 4.055 20 0 FIADMM CC(C)(C)OC(=O)c1c([N-]c2cccnc2N)onc1-c1ccccc1 ZINC001212398408 1122104862 /nfs/dbraw/zinc/10/48/62/1122104862.db2.gz SACRPALMMXDNFJ-UHFFFAOYSA-N -1 1 352.394 4.018 20 0 FIADMM COc1ccc2oc(C)c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2c1 ZINC000917114279 1122163080 /nfs/dbraw/zinc/16/30/80/1122163080.db2.gz ZAZWMLCBGTUUMP-UHFFFAOYSA-N -1 1 363.373 4.098 20 0 FIADMM Cc1ccc(Sc2ccc(C=C3SC(=O)[N-]C3=O)cc2[N+](=O)[O-])cc1 ZINC000214272591 1122220716 /nfs/dbraw/zinc/22/07/16/1122220716.db2.gz ZKNWMZPNRFHXNB-OQLLNIDSSA-N -1 1 372.427 4.378 20 0 FIADMM CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000497442456 1122228206 /nfs/dbraw/zinc/22/82/06/1122228206.db2.gz NEFNFHIWJOHOFH-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(F)c1 ZINC000497862031 1122444327 /nfs/dbraw/zinc/44/43/27/1122444327.db2.gz YMYQMHUOJRFMJE-UHFFFAOYSA-N -1 1 361.797 4.206 20 0 FIADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1)CCC2 ZINC000670417027 1122474380 /nfs/dbraw/zinc/47/43/80/1122474380.db2.gz JDVQWHDTQWIRGI-ZDUSSCGKSA-N -1 1 370.396 4.326 20 0 FIADMM CCC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498198962 1122618573 /nfs/dbraw/zinc/61/85/73/1122618573.db2.gz BUHZCVUZNAWLFR-HNNXBMFYSA-N -1 1 360.479 4.171 20 0 FIADMM CCC[C@@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000498208799 1122627878 /nfs/dbraw/zinc/62/78/78/1122627878.db2.gz DRVSOKNVFIKFTN-CYBMUJFWSA-N -1 1 364.442 4.001 20 0 FIADMM COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccccc2[O-])c1 ZINC000918637729 1122733176 /nfs/dbraw/zinc/73/31/76/1122733176.db2.gz YSRIBCNPUVNXQB-UHFFFAOYSA-N -1 1 358.394 4.000 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000556677007 1123035981 /nfs/dbraw/zinc/03/59/81/1123035981.db2.gz KNMZFBIIQSUUKI-UHFFFAOYSA-N -1 1 363.816 4.163 20 0 FIADMM COc1c(Cl)cccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000919960284 1123285855 /nfs/dbraw/zinc/28/58/55/1123285855.db2.gz OWJFIIUVUSOEGS-KTKRTIGZSA-N -1 1 358.246 4.415 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000499329782 1123430976 /nfs/dbraw/zinc/43/09/76/1123430976.db2.gz PEIBRQWZPFVCJZ-UHFFFAOYSA-N -1 1 357.426 4.045 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1 ZINC000075081347 1123448500 /nfs/dbraw/zinc/44/85/00/1123448500.db2.gz DJNXYXVBMFCKCQ-UHFFFAOYSA-N -1 1 360.479 4.133 20 0 FIADMM Cc1ccc(C(=O)C2CCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000920457343 1123459478 /nfs/dbraw/zinc/45/94/78/1123459478.db2.gz BDRQIHWDYPWKJL-UHFFFAOYSA-N -1 1 357.837 4.089 20 0 FIADMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c([O-])cccc1Cl ZINC000920452903 1123459760 /nfs/dbraw/zinc/45/97/60/1123459760.db2.gz YWBURIHXZLLRLZ-JTQLQIEISA-N -1 1 368.658 4.169 20 0 FIADMM O=C(c1c([O-])cccc1Cl)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000920454408 1123459920 /nfs/dbraw/zinc/45/99/20/1123459920.db2.gz PLZYFHHHDSGGFR-UHFFFAOYSA-N -1 1 367.779 4.007 20 0 FIADMM Cc1ccc(NC(=O)C[C@H](C)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000920437428 1123462050 /nfs/dbraw/zinc/46/20/50/1123462050.db2.gz VFSGBLMFSXSHEY-HNNXBMFYSA-N -1 1 372.490 4.171 20 0 FIADMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000075178050 1123466982 /nfs/dbraw/zinc/46/69/82/1123466982.db2.gz WTVRDSUHVGABPM-ZDUSSCGKSA-N -1 1 370.474 4.372 20 0 FIADMM COc1ccc(-c2cncc(C(=O)Nc3ccc([O-])c(Cl)c3)c2)cc1 ZINC000133318544 1123474373 /nfs/dbraw/zinc/47/43/73/1123474373.db2.gz TVVSISILNFAGON-UHFFFAOYSA-N -1 1 354.793 4.369 20 0 FIADMM CC(=O)Nc1cc(NC(=O)c2ccc3ccccc3c2[O-])c(F)cc1F ZINC000921157213 1123572948 /nfs/dbraw/zinc/57/29/48/1123572948.db2.gz NKCCJMFHATZWBH-UHFFFAOYSA-N -1 1 356.328 4.034 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1Cl ZINC000134687813 1123661733 /nfs/dbraw/zinc/66/17/33/1123661733.db2.gz WGCBMYHZOFBJBF-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000609768117 1123825572 /nfs/dbraw/zinc/82/55/72/1123825572.db2.gz SBTAUASOAZNSJF-YUMQZZPRSA-N -1 1 360.353 4.007 20 0 FIADMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000609768114 1123825795 /nfs/dbraw/zinc/82/57/95/1123825795.db2.gz SBTAUASOAZNSJF-HTQZYQBOSA-N -1 1 360.353 4.007 20 0 FIADMM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000137510880 1123975346 /nfs/dbraw/zinc/97/53/46/1123975346.db2.gz BJOMSEUXIGVQFF-AWEZNQCLSA-N -1 1 369.339 4.128 20 0 FIADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000615252141 1123976341 /nfs/dbraw/zinc/97/63/41/1123976341.db2.gz PGQPIPRWTHVBTO-ZDUSSCGKSA-N -1 1 367.751 4.061 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000080940171 1123977887 /nfs/dbraw/zinc/97/78/87/1123977887.db2.gz ZVDUPERVDHEIMA-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CC2CCC1CC2)c1ccc(Cl)c(F)c1Cl ZINC001212274077 1124120436 /nfs/dbraw/zinc/12/04/36/1124120436.db2.gz DTDCICNACOPTQZ-ILDUYXDCSA-N -1 1 366.285 4.237 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)n[n-]1 ZINC001212429542 1124214188 /nfs/dbraw/zinc/21/41/88/1124214188.db2.gz IPMOGFSLEUYWAL-UHFFFAOYSA-N -1 1 364.336 4.261 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)[n-]n1 ZINC001212429542 1124214196 /nfs/dbraw/zinc/21/41/96/1124214196.db2.gz IPMOGFSLEUYWAL-UHFFFAOYSA-N -1 1 364.336 4.261 20 0 FIADMM C[C@H]1C[C@H](CC(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)CC(C)(C)C1 ZINC000068427979 1124232547 /nfs/dbraw/zinc/23/25/47/1124232547.db2.gz XIXUHJLDKSSLTR-UONOGXRCSA-N -1 1 364.559 4.036 20 0 FIADMM CC(C)(C)CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931584 1124245860 /nfs/dbraw/zinc/24/58/60/1124245860.db2.gz YSMHYFSWACAIPY-UHFFFAOYSA-N -1 1 364.442 4.001 20 0 FIADMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1Nc1cc[nH]c(=O)c1 ZINC001212281765 1124298724 /nfs/dbraw/zinc/29/87/24/1124298724.db2.gz OPNMLPUZLRANKF-UHFFFAOYSA-N -1 1 366.261 4.151 20 0 FIADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000616601483 1124348367 /nfs/dbraw/zinc/34/83/67/1124348367.db2.gz AJIILRNCADQLJK-UFYCRDLUSA-N -1 1 374.440 4.075 20 0 FIADMM CC(C)(C)CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000303830945 1124496496 /nfs/dbraw/zinc/49/64/96/1124496496.db2.gz OQEXLLVZOMBXKL-UHFFFAOYSA-N -1 1 374.506 4.044 20 0 FIADMM O=C([O-])CN(Cc1ccc(-c2cccc(Br)c2)o1)C1CCC1 ZINC000656100225 1124581328 /nfs/dbraw/zinc/58/13/28/1124581328.db2.gz HKQJNTUXWCDOSZ-UHFFFAOYSA-N -1 1 364.239 4.148 20 0 FIADMM COc1ccccc1-c1cc(NC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000111099576 1124839256 /nfs/dbraw/zinc/83/92/56/1124839256.db2.gz GOVIXODINHPUNC-UHFFFAOYSA-N -1 1 359.385 4.196 20 0 FIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000007054741 1124860028 /nfs/dbraw/zinc/86/00/28/1124860028.db2.gz GEYFKHJXRGQTKV-UHFFFAOYSA-N -1 1 374.506 4.093 20 0 FIADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CCC1)c1c(Cl)cccc1Cl ZINC000063346974 1124911520 /nfs/dbraw/zinc/91/15/20/1124911520.db2.gz USUMBBWFJMMXDW-UHFFFAOYSA-N -1 1 374.264 4.490 20 0 FIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ncoc1-c1ccccc1 ZINC000112007658 1124954092 /nfs/dbraw/zinc/95/40/92/1124954092.db2.gz XLERYRSVOUNSAB-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM CC(C)c1cc(Br)ccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480848 1125301207 /nfs/dbraw/zinc/30/12/07/1125301207.db2.gz MGWMYMDQUYBCAU-UHFFFAOYSA-N -1 1 360.211 4.390 20 0 FIADMM CCOC(=O)c1nc(NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)c[n-]1 ZINC000618919856 1125321403 /nfs/dbraw/zinc/32/14/03/1125321403.db2.gz VLSRQIXDUSVJDU-UHFFFAOYSA-N -1 1 367.405 4.222 20 0 FIADMM CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1F ZINC000186667384 567965882 /nfs/dbraw/zinc/96/58/82/567965882.db2.gz FMKIMLCXBIXYGE-UHFFFAOYSA-N -1 1 353.777 4.234 20 0 FIADMM CCOc1cc(C(=O)N(C)CC2(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000186754759 567977249 /nfs/dbraw/zinc/97/72/49/567977249.db2.gz BUIMPSJLCSPFTA-UHFFFAOYSA-N -1 1 359.853 4.248 20 0 FIADMM O=C(CCCC1CC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000643230562 568032352 /nfs/dbraw/zinc/03/23/52/568032352.db2.gz VKCUKPNEIBVMPB-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM CCOC(=O)c1sc2[n-]c(-c3oc4ccccc4c3C)nc(=O)c2c1C ZINC000603917921 568181089 /nfs/dbraw/zinc/18/10/89/568181089.db2.gz NKORWPMTSFBMLE-UHFFFAOYSA-N -1 1 368.414 4.191 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000619198225 1125526876 /nfs/dbraw/zinc/52/68/76/1125526876.db2.gz GZGJTZWPYGZVOB-ACJLOTCBSA-N -1 1 374.868 4.015 20 0 FIADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000243877194 1125595380 /nfs/dbraw/zinc/59/53/80/1125595380.db2.gz RMMVIKSVNYTVNE-UHFFFAOYSA-N -1 1 374.506 4.041 20 0 FIADMM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000182729384 1125608143 /nfs/dbraw/zinc/60/81/43/1125608143.db2.gz QNXRHSSYWGSNOR-LLVKDONJSA-N -1 1 374.915 4.345 20 0 FIADMM CCOc1cc(C(=O)N2CCCC[C@H]2c2nccs2)cc(Cl)c1[O-] ZINC000186778485 1079638418 /nfs/dbraw/zinc/63/84/18/1079638418.db2.gz RDEXYLAQSXOOCP-ZDUSSCGKSA-N -1 1 366.870 4.268 20 0 FIADMM O=C(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000014411838 1079780181 /nfs/dbraw/zinc/78/01/81/1079780181.db2.gz FJMACKIWFDPOEJ-UHFFFAOYSA-N -1 1 359.425 4.281 20 0 FIADMM COc1ccc([C@H](CC(=O)[O-])NCc2c(Cl)oc3ccccc32)cc1 ZINC000683171877 1079800791 /nfs/dbraw/zinc/80/07/91/1079800791.db2.gz RPWGLOPHWCZRQL-INIZCTEOSA-N -1 1 359.809 4.400 20 0 FIADMM O=C([O-])[C@H](NCc1ccsc1Cl)c1cccc(Br)c1 ZINC000683173827 1079810131 /nfs/dbraw/zinc/81/01/31/1079810131.db2.gz LCWOTYDRLSKMBE-LLVKDONJSA-N -1 1 360.660 4.080 20 0 FIADMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC000683180040 1079840551 /nfs/dbraw/zinc/84/05/51/1079840551.db2.gz LMVHHQGJCANLLL-UHFFFAOYSA-N -1 1 357.837 4.089 20 0 FIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000029388531 1079879089 /nfs/dbraw/zinc/87/90/89/1079879089.db2.gz WUYVVLPPGZHHMX-UHFFFAOYSA-N -1 1 372.759 4.458 20 0 FIADMM CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(Cl)c1 ZINC000109103853 1080043552 /nfs/dbraw/zinc/04/35/52/1080043552.db2.gz TWUMXQGNTHQZSW-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccccc2Cl)CCOCC1 ZINC000182878901 1080356872 /nfs/dbraw/zinc/35/68/72/1080356872.db2.gz USRSALOTPYHXGD-UHFFFAOYSA-N -1 1 366.244 4.386 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)c(F)c(F)c1F ZINC000180323362 1080482196 /nfs/dbraw/zinc/48/21/96/1080482196.db2.gz BZQGVAYCWBBCHY-UHFFFAOYSA-N -1 1 359.329 4.075 20 0 FIADMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000683300757 1080517330 /nfs/dbraw/zinc/51/73/30/1080517330.db2.gz MJYVWXIYZNMDIF-UHFFFAOYSA-N -1 1 369.396 4.199 20 0 FIADMM CCOc1cc(-c2noc([C@@H](C)CSC)n2)cc(Br)c1[O-] ZINC000109507745 1080589427 /nfs/dbraw/zinc/58/94/27/1080589427.db2.gz RRVUTRDHRZJZKX-QMMMGPOBSA-N -1 1 373.272 4.070 20 0 FIADMM CCOc1cc(-c2noc([C@H](C)CSC)n2)cc(Br)c1[O-] ZINC000109507746 1080589605 /nfs/dbraw/zinc/58/96/05/1080589605.db2.gz RRVUTRDHRZJZKX-MRVPVSSYSA-N -1 1 373.272 4.070 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CC2CC2)CC2CC2)c([O-])c1 ZINC000094151860 1080743807 /nfs/dbraw/zinc/74/38/07/1080743807.db2.gz TTYWUMQPWWNYNH-UHFFFAOYSA-N -1 1 360.454 4.001 20 0 FIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000055674503 1082214860 /nfs/dbraw/zinc/21/48/60/1082214860.db2.gz WLDMGPUKKTXSCC-UHFFFAOYSA-N -1 1 368.458 4.216 20 0 FIADMM O=C(Nc1ccc(C(F)F)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000933111543 1082389097 /nfs/dbraw/zinc/38/90/97/1082389097.db2.gz KHGHQBNSIRHYLK-UHFFFAOYSA-N -1 1 374.387 4.457 20 0 FIADMM Cc1ccc(-c2ncc(CN[C@@H](CC(=O)[O-])c3ccncc3)s2)cc1C ZINC000656569572 1082594468 /nfs/dbraw/zinc/59/44/68/1082594468.db2.gz RTUPGQNPYXWUNM-SFHVURJKSA-N -1 1 367.474 4.128 20 0 FIADMM CC[C@@H](C)C[C@@H](C)NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000075162807 1082704671 /nfs/dbraw/zinc/70/46/71/1082704671.db2.gz NDSCGPYIDKBRKW-UKRRQHHQSA-N -1 1 360.527 4.247 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000656739447 1082738900 /nfs/dbraw/zinc/73/89/00/1082738900.db2.gz XYEULHFDUCCQPS-UHFFFAOYSA-N -1 1 370.396 4.228 20 0 FIADMM Cc1cc(CN(C(=O)c2ncccc2[O-])C2CCCC2)c2ccccc2n1 ZINC000548303908 1082986347 /nfs/dbraw/zinc/98/63/47/1082986347.db2.gz NKUKJLHSOGZNSE-UHFFFAOYSA-N -1 1 361.445 4.229 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000085650523 1083072510 /nfs/dbraw/zinc/07/25/10/1083072510.db2.gz PQWWSORKCNTVCM-UHFFFAOYSA-N -1 1 353.368 4.138 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)oc1C ZINC000054294082 1083103385 /nfs/dbraw/zinc/10/33/85/1083103385.db2.gz YVTCARCMUTYNRG-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000091728326 1083280237 /nfs/dbraw/zinc/28/02/37/1083280237.db2.gz TYZDDDNSVDGVSX-OAHLLOKOSA-N -1 1 363.255 4.163 20 0 FIADMM [O-]c1ccc(-c2noc(C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1F ZINC000445483666 1083355192 /nfs/dbraw/zinc/35/51/92/1083355192.db2.gz SYRAREBBRIZNQN-LBPRGKRZSA-N -1 1 352.287 4.470 20 0 FIADMM CCC[C@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177045161 1083426154 /nfs/dbraw/zinc/42/61/54/1083426154.db2.gz TZLPOJFAQNEQIG-LBPRGKRZSA-N -1 1 356.447 4.131 20 0 FIADMM CCCN1C(=O)CCc2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC000191550701 1083454822 /nfs/dbraw/zinc/45/48/22/1083454822.db2.gz VBUYQYHSASCZHE-UHFFFAOYSA-N -1 1 362.832 4.486 20 0 FIADMM O=C([O-])CCCCCNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000277048672 1083727123 /nfs/dbraw/zinc/72/71/23/1083727123.db2.gz RSWJBOWTDZFVMC-UHFFFAOYSA-N -1 1 368.886 4.110 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC000612383237 1083760681 /nfs/dbraw/zinc/76/06/81/1083760681.db2.gz VUZROXQJBVUVII-UHFFFAOYSA-N -1 1 355.478 4.030 20 0 FIADMM CCc1nc(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)[n-]c(=O)c1C ZINC000657263963 1084129121 /nfs/dbraw/zinc/12/91/21/1084129121.db2.gz ZVJKXAYAENZNIB-NSHDSACASA-N -1 1 374.441 4.404 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413950211 1084162066 /nfs/dbraw/zinc/16/20/66/1084162066.db2.gz FABQQYVDYQLVQF-SFHVURJKSA-N -1 1 357.837 4.040 20 0 FIADMM CCOc1ccc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000685815459 1084177634 /nfs/dbraw/zinc/17/76/34/1084177634.db2.gz FXCUAXJFFDRWJC-LBPRGKRZSA-N -1 1 363.841 4.334 20 0 FIADMM COC(=O)c1cc(Br)c([O-])c(Nc2cnc(Cl)cc2C)c1 ZINC001216280083 1084196769 /nfs/dbraw/zinc/19/67/69/1084196769.db2.gz GLFNEDSPCFURFQ-UHFFFAOYSA-N -1 1 371.618 4.042 20 0 FIADMM CC1(C)CCCC[C@H]1CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124598524 1084214101 /nfs/dbraw/zinc/21/41/01/1084214101.db2.gz QOCAUCLCBCAUGM-SFHVURJKSA-N -1 1 357.494 4.420 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C(F)(F)F)c(C)c2)[n-]c1=O ZINC000414085477 1084484821 /nfs/dbraw/zinc/48/48/21/1084484821.db2.gz YPJDJLWPERSBGX-FLIBITNWSA-N -1 1 366.339 4.247 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2cccc(OCC(F)(F)F)c2)[n-]1 ZINC000582091417 1084599298 /nfs/dbraw/zinc/59/92/98/1084599298.db2.gz QZNMMAGLMXKKCY-UHFFFAOYSA-N -1 1 366.311 4.353 20 0 FIADMM COc1cc(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)ccc1Cl ZINC000647517100 1084982919 /nfs/dbraw/zinc/98/29/19/1084982919.db2.gz QSFJZRHNDVFWMZ-UHFFFAOYSA-N -1 1 373.758 4.046 20 0 FIADMM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872486 1085005328 /nfs/dbraw/zinc/00/53/28/1085005328.db2.gz LRMSXVKULZZBQC-CQSZACIVSA-N -1 1 351.324 4.055 20 0 FIADMM Cc1cccc2c(CCNC(=O)c3ccc(C(F)(F)F)c([O-])c3)c[nH]c21 ZINC000684876381 1085018205 /nfs/dbraw/zinc/01/82/05/1085018205.db2.gz UVJAOEWQGGIVMT-UHFFFAOYSA-N -1 1 362.351 4.173 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C ZINC000432177787 1085132847 /nfs/dbraw/zinc/13/28/47/1085132847.db2.gz OICQWYUOVGIDAD-UHFFFAOYSA-N -1 1 372.446 4.131 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(C)c1 ZINC000432201099 1085222159 /nfs/dbraw/zinc/22/21/59/1085222159.db2.gz CLXIVUOEMBKNBE-UHFFFAOYSA-N -1 1 372.446 4.213 20 0 FIADMM Cc1cccc2oc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc21 ZINC000934704697 1085810300 /nfs/dbraw/zinc/81/03/00/1085810300.db2.gz ADJTWXGFIQYZJD-UHFFFAOYSA-N -1 1 363.413 4.182 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](c4ccccc4)C4(CCC4)C3)cnc2n1 ZINC000582891653 1085895042 /nfs/dbraw/zinc/89/50/42/1085895042.db2.gz SVUJBPGNWMHFFS-LJQANCHMSA-N -1 1 373.456 4.054 20 0 FIADMM Cc1ccc2c(=O)c(C(=O)N3C[C@H](c4ccccc4)C4(CCC4)C3)c[n-]c2n1 ZINC000582891653 1085895058 /nfs/dbraw/zinc/89/50/58/1085895058.db2.gz SVUJBPGNWMHFFS-LJQANCHMSA-N -1 1 373.456 4.054 20 0 FIADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1C(F)(F)F ZINC000511910286 1085953209 /nfs/dbraw/zinc/95/32/09/1085953209.db2.gz VIMUSHRBYKKGCL-SECBINFHSA-N -1 1 365.323 4.023 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)ccc2C)n1 ZINC000150800509 1086333798 /nfs/dbraw/zinc/33/37/98/1086333798.db2.gz KNPSPPAEGCLGCU-UHFFFAOYSA-N -1 1 364.373 4.037 20 0 FIADMM CC(C)Cc1ncc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000663261630 1086342106 /nfs/dbraw/zinc/34/21/06/1086342106.db2.gz MMIZXOFJLVYBSZ-OAHLLOKOSA-N -1 1 372.412 4.276 20 0 FIADMM Cc1ccc(NC(=O)Cc2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000184827798 1086362213 /nfs/dbraw/zinc/36/22/13/1086362213.db2.gz DOJKKQPJUOZNOW-UHFFFAOYSA-N -1 1 359.385 4.085 20 0 FIADMM C/C=C(/CC)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000588570032 1086438385 /nfs/dbraw/zinc/43/83/85/1086438385.db2.gz ISVCHDQYTSWLEK-BASWHVEKSA-N -1 1 354.431 4.463 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000511235689 1086455817 /nfs/dbraw/zinc/45/58/17/1086455817.db2.gz OSLSKHLDXWNGGF-UHFFFAOYSA-N -1 1 372.259 4.314 20 0 FIADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)n1 ZINC000585681852 1086613679 /nfs/dbraw/zinc/61/36/79/1086613679.db2.gz GCUOOWXUDCPXGZ-UHFFFAOYSA-N -1 1 373.409 4.015 20 0 FIADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc2ncsc2c1 ZINC000536043138 1086723418 /nfs/dbraw/zinc/72/34/18/1086723418.db2.gz GJVMUUWWUHIOSQ-UHFFFAOYSA-N -1 1 360.851 4.076 20 0 FIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)c2)n1 ZINC000126781036 1086741317 /nfs/dbraw/zinc/74/13/17/1086741317.db2.gz YQPQUGHQOSFPFS-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000635018812 1086754635 /nfs/dbraw/zinc/75/46/35/1086754635.db2.gz PWDYQQBJSRSXNF-NEPJUHHUSA-N -1 1 368.355 4.046 20 0 FIADMM CN(CCn1ccc2cc(Cl)ccc21)Cc1nc(=O)c2sccc2[n-]1 ZINC000583528108 1086769985 /nfs/dbraw/zinc/76/99/85/1086769985.db2.gz DPYJKLAHQYCUPC-UHFFFAOYSA-N -1 1 372.881 4.137 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1-c1ccccc1 ZINC000536193339 1087108366 /nfs/dbraw/zinc/10/83/66/1087108366.db2.gz PUZXVLHEMAAKGT-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC000084760274 1087358320 /nfs/dbraw/zinc/35/83/20/1087358320.db2.gz AJOZOSYYSVGDSK-UKINESCASA-N -1 1 370.522 4.079 20 0 FIADMM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cc2ccccc2o1 ZINC000084936157 1087364660 /nfs/dbraw/zinc/36/46/60/1087364660.db2.gz JFVXSNDFDHVIAU-CQSZACIVSA-N -1 1 363.435 4.087 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1C ZINC000107494727 1087466503 /nfs/dbraw/zinc/46/65/03/1087466503.db2.gz JFNWHWBSEPEASZ-UHFFFAOYSA-N -1 1 373.503 4.240 20 0 FIADMM O=C(CCCc1ccc(Br)s1)Nc1ccc(F)cc1[O-] ZINC000536220036 1087624461 /nfs/dbraw/zinc/62/44/61/1087624461.db2.gz LGKIJNOPFNRRHP-UHFFFAOYSA-N -1 1 358.232 4.317 20 0 FIADMM CC(C)c1ccc(-c2noc(CN3CCCC[C@@H]3CCC(=O)[O-])n2)cc1 ZINC000424252392 1087871842 /nfs/dbraw/zinc/87/18/42/1087871842.db2.gz DIINACUEBCNTCR-QGZVFWFLSA-N -1 1 357.454 4.079 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc(Cl)c1[O-] ZINC000186633927 1087947557 /nfs/dbraw/zinc/94/75/57/1087947557.db2.gz ZXCPOZIJLSDOJN-UHFFFAOYSA-N -1 1 362.813 4.045 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3nccn3C)c2)cc(Cl)c1[O-] ZINC000186654713 1087954853 /nfs/dbraw/zinc/95/48/53/1087954853.db2.gz WPKJETYBMRRYRS-UHFFFAOYSA-N -1 1 371.824 4.097 20 0 FIADMM C=Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1 ZINC000414369827 1088010117 /nfs/dbraw/zinc/01/01/17/1088010117.db2.gz FXYPCAJOTGYURM-UHFFFAOYSA-N -1 1 372.490 4.423 20 0 FIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(F)cc(Cl)c3[O-])[nH]c2c1 ZINC000178212691 1088509419 /nfs/dbraw/zinc/50/94/19/1088509419.db2.gz HOVXAZCQEHGIRN-MRXNPFEDSA-N -1 1 373.815 4.347 20 0 FIADMM O=C1C[C@@]2(CCCN(Cc3cccc([O-])c3Cl)C2)Oc2ccccc21 ZINC000628425934 1088517651 /nfs/dbraw/zinc/51/76/51/1088517651.db2.gz ZLIRUQZFHWKKGT-HXUWFJFHSA-N -1 1 357.837 4.046 20 0 FIADMM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181854454 1088849865 /nfs/dbraw/zinc/84/98/65/1088849865.db2.gz FDBBXBCFPZWAMI-UHFFFAOYSA-N -1 1 365.364 4.428 20 0 FIADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])CCC2 ZINC000182036254 1088891635 /nfs/dbraw/zinc/89/16/35/1088891635.db2.gz SSJWOHWPBJECGT-ZDUSSCGKSA-N -1 1 370.396 4.326 20 0 FIADMM CCC(=CC(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O)c1cccc(Cl)c1 ZINC001625888399 1088942371 /nfs/dbraw/zinc/94/23/71/1088942371.db2.gz ZKDPSLHOBHUTII-XFXZXTDPSA-N -1 1 374.824 4.089 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3oc(CC(C)C)nc3C)n2)s1 ZINC000188747251 1088982357 /nfs/dbraw/zinc/98/23/57/1088982357.db2.gz IFSDUBLVBPDDSS-UHFFFAOYSA-N -1 1 362.480 4.322 20 0 FIADMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613666058 1089251418 /nfs/dbraw/zinc/25/14/18/1089251418.db2.gz RQQARKXQUMFLGL-UHFFFAOYSA-N -1 1 372.428 4.129 20 0 FIADMM O=C(CCCCC(=O)c1ccccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668453 1089265749 /nfs/dbraw/zinc/26/57/49/1089265749.db2.gz VERGTAZKQNPOEE-UHFFFAOYSA-N -1 1 363.417 4.164 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000613668082 1089271758 /nfs/dbraw/zinc/27/17/58/1089271758.db2.gz RURCSSHAGMKZDR-UHFFFAOYSA-N -1 1 352.781 4.169 20 0 FIADMM CCC(C)(C)C1CCC(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CC1 ZINC000425329032 1089500533 /nfs/dbraw/zinc/50/05/33/1089500533.db2.gz YQMCFBKMFZJUQX-UHFFFAOYSA-N -1 1 363.502 4.114 20 0 FIADMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435422934 1089640605 /nfs/dbraw/zinc/64/06/05/1089640605.db2.gz QYIRFSHPQCXTJF-MRVPVSSYSA-N -1 1 368.282 4.104 20 0 FIADMM COCc1ncsc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000284457608 1089895641 /nfs/dbraw/zinc/89/56/41/1089895641.db2.gz WFSIBCWPDUFYIN-UHFFFAOYSA-N -1 1 362.398 4.038 20 0 FIADMM CC[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCC(C(=O)[O-])CC1 ZINC000515312708 1089963566 /nfs/dbraw/zinc/96/35/66/1089963566.db2.gz WGWOHPILDBBFKF-UHFFFAOYSA-N -1 1 362.857 4.460 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cnc(-c2ccco2)s1 ZINC000182158789 1090057440 /nfs/dbraw/zinc/05/74/40/1090057440.db2.gz HFZZZEAASLAQNW-UHFFFAOYSA-N -1 1 360.445 4.235 20 0 FIADMM O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000182865433 1090378252 /nfs/dbraw/zinc/37/82/52/1090378252.db2.gz YCPTXRBNHRDWLK-AWEZNQCLSA-N -1 1 360.624 4.415 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1OC(F)F ZINC000780390027 1090767887 /nfs/dbraw/zinc/76/78/87/1090767887.db2.gz MCVJNFSYYKBIRM-UHFFFAOYSA-N -1 1 363.332 4.335 20 0 FIADMM CCc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])o1 ZINC000417641756 1090952592 /nfs/dbraw/zinc/95/25/92/1090952592.db2.gz RSRNTCDGVCFPSC-BDJLRTHQSA-N -1 1 366.255 4.156 20 0 FIADMM C[C@H]1CCc2nc(CN[C@@H](C(=O)[O-])C(C3CCC3)C3CCC3)sc2C1 ZINC000417644812 1090953407 /nfs/dbraw/zinc/95/34/07/1090953407.db2.gz CGGIPYXCIJCZEK-HXPMCKFVSA-N -1 1 362.539 4.027 20 0 FIADMM COc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc2ccccc21 ZINC000417702804 1090965460 /nfs/dbraw/zinc/96/54/60/1090965460.db2.gz LGHQGIQOZXKGEF-UHFFFAOYSA-N -1 1 362.429 4.109 20 0 FIADMM CCCO[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccc(F)cc1C ZINC001625897011 1090979516 /nfs/dbraw/zinc/97/95/16/1090979516.db2.gz UVXSNHURAJUSLM-KRWDZBQOSA-N -1 1 353.340 4.224 20 0 FIADMM CC(C)(C)Cc1ncc(C(=O)Nc2cccc([O-])c2Br)s1 ZINC001141222345 1090981218 /nfs/dbraw/zinc/98/12/18/1090981218.db2.gz TXWGDJCNSRLMMH-UHFFFAOYSA-N -1 1 369.284 4.452 20 0 FIADMM O=C(Nc1ccc(N2CCSCC2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000190967934 1091041869 /nfs/dbraw/zinc/04/18/69/1091041869.db2.gz CHOKKUSKMXFHAI-UHFFFAOYSA-N -1 1 363.870 4.243 20 0 FIADMM CCCCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025347604 1091174026 /nfs/dbraw/zinc/17/40/26/1091174026.db2.gz CSNBXJCHTZYAER-INIZCTEOSA-N -1 1 374.506 4.186 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)ccc1Br ZINC000432642680 1092022692 /nfs/dbraw/zinc/02/26/92/1092022692.db2.gz FPUFFGQLMLPJIK-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM COC(=O)c1c[n-]c(S[C@H]2CCCc3ccc(Br)cc32)n1 ZINC000432673035 1092052263 /nfs/dbraw/zinc/05/22/63/1092052263.db2.gz UGOUUZXIDKNSNY-ZDUSSCGKSA-N -1 1 367.268 4.129 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2c(Cl)oc3ccccc23)[n-]c1=O ZINC000432705568 1092162185 /nfs/dbraw/zinc/16/21/85/1092162185.db2.gz GWMXOTFETOMFAC-NTMALXAHSA-N -1 1 358.781 4.319 20 0 FIADMM CC1(C)CC(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000428159423 1092228779 /nfs/dbraw/zinc/22/87/79/1092228779.db2.gz HFCPZSHAVPMONV-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000521571534 1092756178 /nfs/dbraw/zinc/75/61/78/1092756178.db2.gz SUMFANUPMBPAPK-SNVBAGLBSA-N -1 1 369.895 4.186 20 0 FIADMM COc1cc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)cc(Cl)c1[O-] ZINC000442849978 1092793437 /nfs/dbraw/zinc/79/34/37/1092793437.db2.gz HTRLDLYSSJMKJZ-VIFPVBQESA-N -1 1 355.768 4.166 20 0 FIADMM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067072156 1092793734 /nfs/dbraw/zinc/79/37/34/1092793734.db2.gz WHAGUNLJPUSXTO-VNDWYCCKSA-N -1 1 374.510 4.028 20 0 FIADMM COc1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc(Cl)c1[O-] ZINC000442951544 1092871178 /nfs/dbraw/zinc/87/11/78/1092871178.db2.gz BYVZTOROGVCJQC-UHFFFAOYSA-N -1 1 363.816 4.393 20 0 FIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000473444883 1092886277 /nfs/dbraw/zinc/88/62/77/1092886277.db2.gz VJGUBMOFQBVCOT-UHFFFAOYSA-N -1 1 355.463 4.105 20 0 FIADMM COc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2C)cc(Cl)c1[O-] ZINC000442965062 1092892018 /nfs/dbraw/zinc/89/20/18/1092892018.db2.gz HVXYURKJHKIARY-INIZCTEOSA-N -1 1 359.853 4.210 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc(Cl)c1[O-] ZINC000443061290 1092924343 /nfs/dbraw/zinc/92/43/43/1092924343.db2.gz VBLVUMGOHWPSOR-HNNXBMFYSA-N -1 1 359.853 4.320 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)cc(Cl)c1[O-] ZINC000443090108 1092933530 /nfs/dbraw/zinc/93/35/30/1092933530.db2.gz VTTJVXPTXBHAGF-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM COc1cc(C(=O)Nc2cccc(-c3nc(C)co3)c2)cc(Cl)c1[O-] ZINC000443078746 1092937597 /nfs/dbraw/zinc/93/75/97/1092937597.db2.gz XPQSYSRCEMSLQG-UHFFFAOYSA-N -1 1 358.781 4.270 20 0 FIADMM COc1cc(-c2nc(Cc3cccc4cccnc43)no2)cc(Cl)c1[O-] ZINC000443100250 1092949032 /nfs/dbraw/zinc/94/90/32/1092949032.db2.gz WLKUYMJBXXTZGG-UHFFFAOYSA-N -1 1 367.792 4.243 20 0 FIADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCCc2cccnc21 ZINC000443122497 1092954492 /nfs/dbraw/zinc/95/44/92/1092954492.db2.gz HDZVUKODUORZQU-MRXNPFEDSA-N -1 1 374.868 4.379 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(COC)cc3)no2)cc(Cl)c1[O-] ZINC000443191514 1092982175 /nfs/dbraw/zinc/98/21/75/1092982175.db2.gz GKZTXSOGWNICET-UHFFFAOYSA-N -1 1 360.797 4.308 20 0 FIADMM CCOc1cc(-c2nc(Cc3ccc(F)cc3F)no2)cc(Cl)c1[O-] ZINC000443202083 1092989248 /nfs/dbraw/zinc/98/92/48/1092989248.db2.gz WUWOOFOVOSCHDK-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM COc1cc(-c2nc(Cc3c(C)[nH]c4ccccc43)no2)cc(Cl)c1[O-] ZINC000443204582 1092990137 /nfs/dbraw/zinc/99/01/37/1092990137.db2.gz PPIDNNAAOGZXSL-UHFFFAOYSA-N -1 1 369.808 4.485 20 0 FIADMM CCC(=O)Nc1cccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000443209460 1092992420 /nfs/dbraw/zinc/99/24/20/1092992420.db2.gz FOKVHICGWZENHA-UHFFFAOYSA-N -1 1 373.796 4.120 20 0 FIADMM COc1cc(C(=O)N2CCC(c3ccsc3)CC2)cc(Cl)c1[O-] ZINC000443207914 1092992630 /nfs/dbraw/zinc/99/26/30/1092992630.db2.gz LWLXZFSXSYOLDE-UHFFFAOYSA-N -1 1 351.855 4.136 20 0 FIADMM COc1cc(C(=O)Nc2ccccc2CC(F)(F)F)cc(Cl)c1[O-] ZINC000443285084 1093029260 /nfs/dbraw/zinc/02/92/60/1093029260.db2.gz SBBYBZBYRIFMSJ-UHFFFAOYSA-N -1 1 359.731 4.411 20 0 FIADMM COc1cc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cc(Cl)c1[O-] ZINC000443299641 1093033587 /nfs/dbraw/zinc/03/35/87/1093033587.db2.gz WMICPNAHWCMODN-BZNIZROVSA-N -1 1 363.816 4.417 20 0 FIADMM COc1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000443308856 1093045097 /nfs/dbraw/zinc/04/50/97/1093045097.db2.gz DRKLXGJXIMWJTB-BZNIZROVSA-N -1 1 363.816 4.417 20 0 FIADMM COc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc(Cl)c1[O-] ZINC000443338331 1093062811 /nfs/dbraw/zinc/06/28/11/1093062811.db2.gz ZGIATSAUXNWVPW-ZDUSSCGKSA-N -1 1 373.758 4.478 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)n1 ZINC000443405355 1093107505 /nfs/dbraw/zinc/10/75/05/1093107505.db2.gz JQYCKAALJMPGQZ-UHFFFAOYSA-N -1 1 366.414 4.198 20 0 FIADMM CC(C)[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000608349930 1093156426 /nfs/dbraw/zinc/15/64/26/1093156426.db2.gz IYCSLXNVHVENEQ-NRFANRHFSA-N -1 1 365.473 4.253 20 0 FIADMM COc1ccc(Nc2c([O-])c(Br)ccc2Cl)c(CO)c1 ZINC001211754553 1093168206 /nfs/dbraw/zinc/16/82/06/1093168206.db2.gz RWYCMLRRESFZHE-UHFFFAOYSA-N -1 1 358.619 4.053 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1ccc(C(F)(F)F)cc1Cl ZINC000443466929 1093194939 /nfs/dbraw/zinc/19/49/39/1093194939.db2.gz PRUDGARYKCKMFP-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Br)cc2[O-])s1 ZINC000094124590 1093311654 /nfs/dbraw/zinc/31/16/54/1093311654.db2.gz UMYBKZLPGJVJAL-VIFPVBQESA-N -1 1 369.284 4.061 20 0 FIADMM CCN(C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S)c1ccccc1 ZINC000067183192 1093340885 /nfs/dbraw/zinc/34/08/85/1093340885.db2.gz WUXCKQVPYYPSFC-UHFFFAOYSA-N -1 1 366.490 4.359 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c([O-])c1 ZINC000011596378 1093526480 /nfs/dbraw/zinc/52/64/80/1093526480.db2.gz UTKNGKNKKYLMSI-UHFFFAOYSA-N -1 1 366.442 4.340 20 0 FIADMM O=c1cc(/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2nc[n-]n21 ZINC000614334361 1093630349 /nfs/dbraw/zinc/63/03/49/1093630349.db2.gz GGIFAJHOIUYYPF-NSCUHMNNSA-N -1 1 373.199 4.155 20 0 FIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1sccc1F ZINC000509881368 1093684364 /nfs/dbraw/zinc/68/43/64/1093684364.db2.gz YQPUWLLVBYZTMZ-UHFFFAOYSA-N -1 1 357.794 4.451 20 0 FIADMM CCN(CC)[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000474432942 1093781770 /nfs/dbraw/zinc/78/17/70/1093781770.db2.gz RYOUCLOVEFLIDD-INIZCTEOSA-N -1 1 350.821 4.206 20 0 FIADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473501350 1093805832 /nfs/dbraw/zinc/80/58/32/1093805832.db2.gz COUKASURLWNGDR-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000115885524 1094282418 /nfs/dbraw/zinc/28/24/18/1094282418.db2.gz PLZSUBIOKPLUHQ-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000327611175 1094361289 /nfs/dbraw/zinc/36/12/89/1094361289.db2.gz LZBHCJFWSUWTQO-UHFFFAOYSA-N -1 1 365.451 4.334 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cc(Cl)c1[O-] ZINC000545878519 1094798495 /nfs/dbraw/zinc/79/84/95/1094798495.db2.gz RUJKKMJFMRWNQU-CQSZACIVSA-N -1 1 359.853 4.382 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(C)c(Br)c3)no2)c([O-])c1 ZINC000389255889 1094998515 /nfs/dbraw/zinc/99/85/15/1094998515.db2.gz CFFKICAMPVTHGV-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM CCOC(=O)N(C)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000108806122 1095012425 /nfs/dbraw/zinc/01/24/25/1095012425.db2.gz FRXINHYAFYAACM-UHFFFAOYSA-N -1 1 364.401 4.390 20 0 FIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C12CCC(CC1)C2 ZINC000544207117 1095138345 /nfs/dbraw/zinc/13/83/45/1095138345.db2.gz SJJKRKXKFVVWQW-UHFFFAOYSA-N -1 1 370.474 4.006 20 0 FIADMM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1ccc(F)c([O-])c1 ZINC001625940599 1095162350 /nfs/dbraw/zinc/16/23/50/1095162350.db2.gz COMOYEPXZPAHBN-UHFFFAOYSA-N -1 1 365.404 4.083 20 0 FIADMM CC[C@H](c1ccncc1)N(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000281061523 1095481238 /nfs/dbraw/zinc/48/12/38/1095481238.db2.gz RYBKRMWFNUJROV-MRXNPFEDSA-N -1 1 358.825 4.130 20 0 FIADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000428326627 1095688651 /nfs/dbraw/zinc/68/86/51/1095688651.db2.gz PQZFMQHXTBBJOU-BBRMVZONSA-N -1 1 374.278 4.481 20 0 FIADMM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000522802308 1095699344 /nfs/dbraw/zinc/69/93/44/1095699344.db2.gz LMMVDJAVBCMFAT-UHFFFAOYSA-N -1 1 374.506 4.059 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000502710812 1095752218 /nfs/dbraw/zinc/75/22/18/1095752218.db2.gz ZCQGWCAHSZPGIF-MROQNXINSA-N -1 1 353.447 4.019 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000502710816 1095754093 /nfs/dbraw/zinc/75/40/93/1095754093.db2.gz ZCQGWCAHSZPGIF-YVECIDJPSA-N -1 1 353.447 4.019 20 0 FIADMM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502932631 1095960374 /nfs/dbraw/zinc/96/03/74/1095960374.db2.gz YBRCYFXZRKUYDX-CABCVRRESA-N -1 1 360.479 4.108 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c1 ZINC000504062230 1096651086 /nfs/dbraw/zinc/65/10/86/1096651086.db2.gz SRBSIZVUMAOXBA-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)ccc1F ZINC000504063900 1096651201 /nfs/dbraw/zinc/65/12/01/1096651201.db2.gz YDKAPEDADNDQOU-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@H](C)Cc1ccccc1C(F)(F)F ZINC000435950438 1098578777 /nfs/dbraw/zinc/57/87/77/1098578777.db2.gz WEHGTDNGCRKDPS-CYBMUJFWSA-N -1 1 366.383 4.208 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1OCC ZINC000436164890 1098783614 /nfs/dbraw/zinc/78/36/14/1098783614.db2.gz LZTNLILVUDXYIV-UHFFFAOYSA-N -1 1 374.462 4.075 20 0 FIADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000436170358 1098787581 /nfs/dbraw/zinc/78/75/81/1098787581.db2.gz AMJVVNCHWLEVDR-UHFFFAOYSA-N -1 1 351.296 4.016 20 0 FIADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000436179310 1098804621 /nfs/dbraw/zinc/80/46/21/1098804621.db2.gz VOQRWKYISVWIBK-UHFFFAOYSA-N -1 1 370.352 4.176 20 0 FIADMM COc1ccc(C(=O)Nc2ccccc2COCc2ccccc2)c([O-])c1 ZINC000436511895 1099072258 /nfs/dbraw/zinc/07/22/58/1099072258.db2.gz JQUUSVCLVIZYSV-UHFFFAOYSA-N -1 1 363.413 4.370 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(F)c3Br)n2)cc1F ZINC000436521619 1099077178 /nfs/dbraw/zinc/07/71/78/1099077178.db2.gz NQIUNIPFSKUGIW-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM CCCCOc1cccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436536261 1099083649 /nfs/dbraw/zinc/08/36/49/1099083649.db2.gz PLSISJAWEFAYNW-UHFFFAOYSA-N -1 1 363.841 4.163 20 0 FIADMM COCCCOc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436548988 1099095016 /nfs/dbraw/zinc/09/50/16/1099095016.db2.gz OLADFBWOIRUGBR-UHFFFAOYSA-N -1 1 351.402 4.213 20 0 FIADMM O=C(Nc1ccsc1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436549260 1099096349 /nfs/dbraw/zinc/09/63/49/1099096349.db2.gz UMHIVOFZLRMZEK-UHFFFAOYSA-N -1 1 374.368 4.237 20 0 FIADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436540240 1099105475 /nfs/dbraw/zinc/10/54/75/1099105475.db2.gz RDHBYKDISFFUNB-IBGZPJMESA-N -1 1 361.441 4.401 20 0 FIADMM O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000436576943 1099111804 /nfs/dbraw/zinc/11/18/04/1099111804.db2.gz SBFPTHFBWGCXMH-UHFFFAOYSA-N -1 1 365.404 4.120 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000436565742 1099117395 /nfs/dbraw/zinc/11/73/95/1099117395.db2.gz UTVOCJZPLXYDNX-LJQANCHMSA-N -1 1 365.408 4.289 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000436567892 1099118483 /nfs/dbraw/zinc/11/84/83/1099118483.db2.gz PQQVQDBBOYSZET-SFHVURJKSA-N -1 1 361.397 4.251 20 0 FIADMM Cc1cc(C[C@H](C)NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])n[nH]1 ZINC000436595714 1099126928 /nfs/dbraw/zinc/12/69/28/1099126928.db2.gz NKSXKWHAUJHSGV-LBPRGKRZSA-N -1 1 369.852 4.105 20 0 FIADMM Cc1nc(C)n(Cc2cccc(NC(=O)c3cc4ccccc4cc3[O-])c2)n1 ZINC000436582274 1099132279 /nfs/dbraw/zinc/13/22/79/1099132279.db2.gz HVOHFMYBONOJCX-UHFFFAOYSA-N -1 1 372.428 4.054 20 0 FIADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1nc(Cc2ccccc2)no1 ZINC000436583027 1099132426 /nfs/dbraw/zinc/13/24/26/1099132426.db2.gz GAAQFABGSXWYIF-CQSZACIVSA-N -1 1 373.412 4.010 20 0 FIADMM COCCc1nc2cc(NC(=O)c3ccc(C(C)C)cc3[O-])ccc2o1 ZINC000436583607 1099132558 /nfs/dbraw/zinc/13/25/58/1099132558.db2.gz KLZKOBXAFKKQBV-UHFFFAOYSA-N -1 1 354.406 4.098 20 0 FIADMM COc1cccc(C=C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c1 ZINC000436585679 1099133880 /nfs/dbraw/zinc/13/38/80/1099133880.db2.gz TVLNQZFJVCIORP-UHFFFAOYSA-N -1 1 357.837 4.374 20 0 FIADMM COc1cc(-c2noc(-c3cccc(F)c3)n2)cc(Br)c1[O-] ZINC000445389644 1099136418 /nfs/dbraw/zinc/13/64/18/1099136418.db2.gz FDMHMWMIKWXZJO-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CC(C)c1[nH]ccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436639030 1099166201 /nfs/dbraw/zinc/16/62/01/1099166201.db2.gz BHTKLXMEAOFDRE-UHFFFAOYSA-N -1 1 369.465 4.159 20 0 FIADMM CC(C)c1ccoc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436640482 1099181396 /nfs/dbraw/zinc/18/13/96/1099181396.db2.gz IHXHPNMUIUYULZ-UHFFFAOYSA-N -1 1 370.449 4.423 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436668008 1099196244 /nfs/dbraw/zinc/19/62/44/1099196244.db2.gz VMMMQUGAJKFSMG-QGZVFWFLSA-N -1 1 371.305 4.261 20 0 FIADMM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc(O)cc1[O-] ZINC000436667368 1099198628 /nfs/dbraw/zinc/19/86/28/1099198628.db2.gz XXSUZFAFVMTGDM-UHFFFAOYSA-N -1 1 356.765 4.191 20 0 FIADMM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436669666 1099200821 /nfs/dbraw/zinc/20/08/21/1099200821.db2.gz AYVFMRHIBCHAKI-AWEZNQCLSA-N -1 1 362.429 4.326 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc4c(c3)ncn4C)n2)cc(Cl)c1[O-] ZINC000436658688 1099206417 /nfs/dbraw/zinc/20/64/17/1099206417.db2.gz VZWNDLUUYAWKIZ-UHFFFAOYSA-N -1 1 370.796 4.048 20 0 FIADMM Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)C ZINC000436699646 1099233536 /nfs/dbraw/zinc/23/35/36/1099233536.db2.gz VYNLYJQFPMCBGM-GOSISDBHSA-N -1 1 351.402 4.143 20 0 FIADMM Cc1ccccc1CNc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436702283 1099235723 /nfs/dbraw/zinc/23/57/23/1099235723.db2.gz ABIBKMUWXATDMN-UHFFFAOYSA-N -1 1 360.413 4.134 20 0 FIADMM CCCc1nc(C)c(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)s1 ZINC000436706739 1099238472 /nfs/dbraw/zinc/23/84/72/1099238472.db2.gz NGZGYJBXAKIDRM-UHFFFAOYSA-N -1 1 354.859 4.414 20 0 FIADMM CN(Cc1ccc(Br)s1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436720014 1099251547 /nfs/dbraw/zinc/25/15/47/1099251547.db2.gz BXBACXYDWFZMGV-UHFFFAOYSA-N -1 1 360.660 4.142 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000436720155 1099251950 /nfs/dbraw/zinc/25/19/50/1099251950.db2.gz CQEJJFAYICAOLE-UHFFFAOYSA-N -1 1 355.278 4.216 20 0 FIADMM C[C@H](CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436738073 1099258750 /nfs/dbraw/zinc/25/87/50/1099258750.db2.gz MYIQNJBDFZNJLL-SJORKVTESA-N -1 1 363.457 4.172 20 0 FIADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436757942 1099272072 /nfs/dbraw/zinc/27/20/72/1099272072.db2.gz JULNJQJLVDVNRR-VIFPVBQESA-N -1 1 370.193 4.266 20 0 FIADMM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762705 1099279164 /nfs/dbraw/zinc/27/91/64/1099279164.db2.gz GBDRCRKJHDKNTG-UHFFFAOYSA-N -1 1 364.323 4.012 20 0 FIADMM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436748075 1099281659 /nfs/dbraw/zinc/28/16/59/1099281659.db2.gz DIKJMCRUDZXYFZ-INIZCTEOSA-N -1 1 363.841 4.286 20 0 FIADMM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751174 1099285360 /nfs/dbraw/zinc/28/53/60/1099285360.db2.gz JQILERCHERZMMZ-LBPRGKRZSA-N -1 1 367.367 4.123 20 0 FIADMM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436753911 1099288180 /nfs/dbraw/zinc/28/81/80/1099288180.db2.gz GUVDUPPQVXGBAA-UHFFFAOYSA-N -1 1 362.429 4.280 20 0 FIADMM CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436755509 1099291720 /nfs/dbraw/zinc/29/17/20/1099291720.db2.gz NURYOFSOZSFPHW-UHFFFAOYSA-N -1 1 362.429 4.280 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c([O-])c1 ZINC000436756071 1099292033 /nfs/dbraw/zinc/29/20/33/1099292033.db2.gz PYKSAIHMRSJHQV-UHFFFAOYSA-N -1 1 353.422 4.052 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1cccc(F)c1)C1CC1 ZINC000436763588 1099304097 /nfs/dbraw/zinc/30/40/97/1099304097.db2.gz LKSRZJVROALLCQ-UHFFFAOYSA-N -1 1 353.315 4.355 20 0 FIADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436766062 1099306696 /nfs/dbraw/zinc/30/66/96/1099306696.db2.gz ZJHCEAOTAFFMKU-INIZCTEOSA-N -1 1 365.351 4.397 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000436767116 1099307386 /nfs/dbraw/zinc/30/73/86/1099307386.db2.gz GCXGLGYNOKCLEU-HNNXBMFYSA-N -1 1 374.278 4.250 20 0 FIADMM CCOc1cc(-c2noc(/C=C(\C)C3CC3)n2)cc(Br)c1[O-] ZINC000436767027 1099308182 /nfs/dbraw/zinc/30/81/82/1099308182.db2.gz FPCKADLWYWNZFJ-RMKNXTFCSA-N -1 1 365.227 4.417 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1Cc1cccc(F)c1 ZINC000436767659 1099309421 /nfs/dbraw/zinc/30/94/21/1099309421.db2.gz HBLREZJYEMKRDO-HNNXBMFYSA-N -1 1 367.342 4.397 20 0 FIADMM CCc1nn(C)cc1-c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436785179 1099315389 /nfs/dbraw/zinc/31/53/89/1099315389.db2.gz DESAZZVWISNRKT-UHFFFAOYSA-N -1 1 362.389 4.197 20 0 FIADMM O=C(NC1CCCC1)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436785273 1099318270 /nfs/dbraw/zinc/31/82/70/1099318270.db2.gz UDLHEGOXNIUYEO-UHFFFAOYSA-N -1 1 374.440 4.470 20 0 FIADMM CCOc1ccc(N(CC)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436789780 1099322192 /nfs/dbraw/zinc/32/21/92/1099322192.db2.gz DKSBWWPMFZZTGS-UHFFFAOYSA-N -1 1 353.340 4.476 20 0 FIADMM O=C(Nc1nc(CC(F)(F)F)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436793633 1099325561 /nfs/dbraw/zinc/32/55/61/1099325561.db2.gz LVRBJKHNLPLIOZ-UHFFFAOYSA-N -1 1 370.274 4.225 20 0 FIADMM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000436806138 1099332819 /nfs/dbraw/zinc/33/28/19/1099332819.db2.gz ZXXDGXFZZXPLIT-UHFFFAOYSA-N -1 1 361.323 4.362 20 0 FIADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)Cc1ccsc1 ZINC000436842222 1099360708 /nfs/dbraw/zinc/36/07/08/1099360708.db2.gz WLMREJATYLLQIM-LLVKDONJSA-N -1 1 368.296 4.310 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000436844411 1099363609 /nfs/dbraw/zinc/36/36/09/1099363609.db2.gz FTRYTUATFITMIQ-AWEZNQCLSA-N -1 1 351.830 4.192 20 0 FIADMM Cc1sccc1CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436847524 1099366019 /nfs/dbraw/zinc/36/60/19/1099366019.db2.gz QDSUKJAUFVILKR-UHFFFAOYSA-N -1 1 372.490 4.006 20 0 FIADMM COc1cc(OC2CC2)ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436867464 1099378069 /nfs/dbraw/zinc/37/80/69/1099378069.db2.gz COZPGQPFWSNDAZ-UHFFFAOYSA-N -1 1 358.781 4.312 20 0 FIADMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)n1ccc2ccccc2c1=O ZINC000436869008 1099379163 /nfs/dbraw/zinc/37/91/63/1099379163.db2.gz BWSUAAJHGJTLEN-LLVKDONJSA-N -1 1 367.792 4.020 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@@H]3C(C)C)n2)cc(Br)c1[O-] ZINC000436868651 1099380099 /nfs/dbraw/zinc/38/00/99/1099380099.db2.gz BFCINQVDSQVGTA-GHMZBOCLSA-N -1 1 367.243 4.363 20 0 FIADMM CCc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2c(n1)onc2C(C)C ZINC000436869829 1099380343 /nfs/dbraw/zinc/38/03/43/1099380343.db2.gz BXLIBLXQFIUIAE-UHFFFAOYSA-N -1 1 368.368 4.470 20 0 FIADMM COCCOc1cccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436875080 1099386283 /nfs/dbraw/zinc/38/62/83/1099386283.db2.gz WBOISEMVBSJQAT-VMPITWQZSA-N -1 1 372.808 4.291 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)c(F)c1 ZINC000436873484 1099386735 /nfs/dbraw/zinc/38/67/35/1099386735.db2.gz MWHJRYVLOHXBRM-GHMZBOCLSA-N -1 1 350.271 4.270 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(COC(F)(F)F)cc3)n2)cc1F ZINC000436873500 1099387153 /nfs/dbraw/zinc/38/71/53/1099387153.db2.gz MYKHYFICBJRFIB-UHFFFAOYSA-N -1 1 354.259 4.285 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3cnc4ccccc4c3)n2)c(Cl)c1 ZINC000436875573 1099390039 /nfs/dbraw/zinc/39/00/39/1099390039.db2.gz YIVHEEMOCHLFGP-UHFFFAOYSA-N -1 1 351.793 4.429 20 0 FIADMM CCc1cc(-c2nc(-c3ccc([O-])cc3F)no2)c2c(n1)onc2C(C)C ZINC000436876448 1099392518 /nfs/dbraw/zinc/39/25/18/1099392518.db2.gz YXEFVNSKMZYHQN-UHFFFAOYSA-N -1 1 368.368 4.470 20 0 FIADMM O=C(c1cccs1)N1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880587 1099396672 /nfs/dbraw/zinc/39/66/72/1099396672.db2.gz RUTFLRGWORXTAT-CQSZACIVSA-N -1 1 373.409 4.010 20 0 FIADMM CSc1ccc(-c2csc(NC(=O)C(=O)c3ccc([O-])cc3)n2)cc1 ZINC000436882754 1099399613 /nfs/dbraw/zinc/39/96/13/1099399613.db2.gz VQXCUSVSUNIFRQ-UHFFFAOYSA-N -1 1 370.455 4.059 20 0 FIADMM COc1cc(-c2nc(-c3cc(=O)[nH]c4ccccc43)no2)cc(Cl)c1[O-] ZINC000436885173 1099399828 /nfs/dbraw/zinc/39/98/28/1099399828.db2.gz IYEDKDYKKOVHQT-UHFFFAOYSA-N -1 1 369.764 4.025 20 0 FIADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000436915835 1099431042 /nfs/dbraw/zinc/43/10/42/1099431042.db2.gz SLDFXXXHTXDMSH-SFHVURJKSA-N -1 1 367.367 4.117 20 0 FIADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc2c(s1)CCCC2 ZINC000436916253 1099431719 /nfs/dbraw/zinc/43/17/19/1099431719.db2.gz VJLSRLTXJPERDL-UHFFFAOYSA-N -1 1 374.853 4.023 20 0 FIADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc2c(s1)CCCC2 ZINC000436916253 1099431726 /nfs/dbraw/zinc/43/17/26/1099431726.db2.gz VJLSRLTXJPERDL-UHFFFAOYSA-N -1 1 374.853 4.023 20 0 FIADMM O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000436927497 1099442747 /nfs/dbraw/zinc/44/27/47/1099442747.db2.gz OENDFWHTVCPYFQ-MRXNPFEDSA-N -1 1 364.228 4.149 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(CCc2ccccc2Br)no1 ZINC000436936234 1099447917 /nfs/dbraw/zinc/44/79/17/1099447917.db2.gz AEUNNIHCWPFRKV-UHFFFAOYSA-N -1 1 363.186 4.129 20 0 FIADMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436944078 1099455341 /nfs/dbraw/zinc/45/53/41/1099455341.db2.gz ONTFANUHAQQTFY-JTQLQIEISA-N -1 1 364.228 4.028 20 0 FIADMM CC(C)n1cc2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2n1 ZINC000436953996 1099472131 /nfs/dbraw/zinc/47/21/31/1099472131.db2.gz CTXGBKHAKJPPFA-UHFFFAOYSA-N -1 1 374.238 4.338 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)cc1Cl ZINC000116569488 1099490146 /nfs/dbraw/zinc/49/01/46/1099490146.db2.gz GSYHQDLGLDGVNV-UHFFFAOYSA-N -1 1 366.870 4.052 20 0 FIADMM CCC(C)(C)OCc1ccccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436987942 1099492075 /nfs/dbraw/zinc/49/20/75/1099492075.db2.gz KDEPIONAXATGRT-UHFFFAOYSA-N -1 1 370.449 4.308 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000436992610 1099496891 /nfs/dbraw/zinc/49/68/91/1099496891.db2.gz XJKKIPPOYIKHLJ-GOSISDBHSA-N -1 1 365.408 4.289 20 0 FIADMM Cc1nc(-c2ccc(N3CCCC[C@H]3CC3CCC3)nc2)[n-]c(=O)c1C ZINC000664607664 1099615123 /nfs/dbraw/zinc/61/51/23/1099615123.db2.gz WJWIWARTMYKSCQ-SFHVURJKSA-N -1 1 352.482 4.410 20 0 FIADMM CC(C)Sc1cc(Br)ccc1CN1CCC(C(=O)[O-])CC1 ZINC000263382082 1099786847 /nfs/dbraw/zinc/78/68/47/1099786847.db2.gz BXLDDGMQBDEBTK-UHFFFAOYSA-N -1 1 372.328 4.246 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000437320394 1099797085 /nfs/dbraw/zinc/79/70/85/1099797085.db2.gz VATLWQCSMOPZSN-UHFFFAOYSA-N -1 1 362.470 4.315 20 0 FIADMM COc1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc(Cl)c1[O-] ZINC000437400012 1099890414 /nfs/dbraw/zinc/89/04/14/1099890414.db2.gz GSGLWQDGVOMQCJ-YEORSEQZSA-N -1 1 366.244 4.384 20 0 FIADMM O=C(Nc1nc(C2CCOCC2)cs1)c1cc2ccccc2cc1[O-] ZINC000516988320 1099973022 /nfs/dbraw/zinc/97/30/22/1099973022.db2.gz VGNLSTMKWNNLEN-UHFFFAOYSA-N -1 1 354.431 4.148 20 0 FIADMM Cc1nc(COC(C)(C)C)oc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000517239582 1100213012 /nfs/dbraw/zinc/21/30/12/1100213012.db2.gz SCLDANMJIRHENK-UHFFFAOYSA-N -1 1 363.801 4.374 20 0 FIADMM CSc1c(F)cccc1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000437818733 1100223897 /nfs/dbraw/zinc/22/38/97/1100223897.db2.gz FIGBJHPTTFSORI-UHFFFAOYSA-N -1 1 359.401 4.059 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000425939122 1100362392 /nfs/dbraw/zinc/36/23/92/1100362392.db2.gz BLOMMXIPVFXWLH-UHFFFAOYSA-N -1 1 361.463 4.115 20 0 FIADMM COc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc(Cl)c1[O-] ZINC000506176918 1100418918 /nfs/dbraw/zinc/41/89/18/1100418918.db2.gz PMTFKRNFNISXMG-INIZCTEOSA-N -1 1 351.805 4.320 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)c2)o1 ZINC000517519784 1100450111 /nfs/dbraw/zinc/45/01/11/1100450111.db2.gz PICHRPXRNKJZHL-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000517688873 1100597479 /nfs/dbraw/zinc/59/74/79/1100597479.db2.gz IWUNWDWSMKLBFP-UHFFFAOYSA-N -1 1 353.443 4.471 20 0 FIADMM CCc1nc(SCc2csc(Cc3ccccc3)n2)[n-]c(=O)c1C ZINC000517759026 1100645406 /nfs/dbraw/zinc/64/54/06/1100645406.db2.gz HOTQGRAVIDOZRI-UHFFFAOYSA-N -1 1 357.504 4.393 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccc(Cl)cc1 ZINC000438719146 1100882503 /nfs/dbraw/zinc/88/25/03/1100882503.db2.gz RQZSUKCMQLOQJE-UHFFFAOYSA-N -1 1 360.822 4.328 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1C(F)(F)F ZINC000438755254 1100897941 /nfs/dbraw/zinc/89/79/41/1100897941.db2.gz MMQGTBBWVSHOOL-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM O=C(Nc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccc([O-])cc1 ZINC000438773111 1100908366 /nfs/dbraw/zinc/90/83/66/1100908366.db2.gz OKJNXLIWNHCSQW-UHFFFAOYSA-N -1 1 363.417 4.069 20 0 FIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438793902 1100922757 /nfs/dbraw/zinc/92/27/57/1100922757.db2.gz TWTFCRNGOBWKSM-UHFFFAOYSA-N -1 1 351.855 4.288 20 0 FIADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438807862 1100930467 /nfs/dbraw/zinc/93/04/67/1100930467.db2.gz FGCMDGZXATTWNS-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)ccc2o1 ZINC000518241466 1101029039 /nfs/dbraw/zinc/02/90/39/1101029039.db2.gz IPMKEMRYSBQYPX-UHFFFAOYSA-N -1 1 360.435 4.033 20 0 FIADMM CCCc1ccc(-c2nc(NC(=O)c3cncc([O-])c3)sc2C)cc1 ZINC000518347725 1101110153 /nfs/dbraw/zinc/11/01/53/1101110153.db2.gz BMXFYUMICZDNJR-UHFFFAOYSA-N -1 1 353.447 4.424 20 0 FIADMM Cc1nsc([N-]C(=O)c2cc3sc(Br)cc3s2)n1 ZINC001126646484 1101488824 /nfs/dbraw/zinc/48/88/24/1101488824.db2.gz QTDFTYAAFUSJPD-UHFFFAOYSA-N -1 1 360.283 4.138 20 0 FIADMM CC(C)c1nc([C@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])no1 ZINC000179646911 1101561685 /nfs/dbraw/zinc/56/16/85/1101561685.db2.gz NDLBECKWLYSQNJ-MRXNPFEDSA-N -1 1 351.406 4.029 20 0 FIADMM CCCn1c(C)cc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1C ZINC000518868832 1101690894 /nfs/dbraw/zinc/69/08/94/1101690894.db2.gz PJAGJCQVUKIEKL-UHFFFAOYSA-N -1 1 373.400 4.004 20 0 FIADMM O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(C(F)(F)F)cc1[O-] ZINC000537395343 1101734254 /nfs/dbraw/zinc/73/42/54/1101734254.db2.gz VOYJDBSHOFIEPG-UHFFFAOYSA-N -1 1 359.687 4.045 20 0 FIADMM Cc1nc(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)[n-]c(=O)c1C ZINC000537416023 1101761724 /nfs/dbraw/zinc/76/17/24/1101761724.db2.gz FPEKXOOSHFMTEB-CQSZACIVSA-N -1 1 365.886 4.208 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)c(C)s1 ZINC000024070785 1101771776 /nfs/dbraw/zinc/77/17/76/1101771776.db2.gz RAMSIXVQOFHDGE-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3noc(C)n3)c2)cc(Cl)c1[O-] ZINC000186702644 1101778465 /nfs/dbraw/zinc/77/84/65/1101778465.db2.gz JGDSJXAMQBAIOR-UHFFFAOYSA-N -1 1 373.796 4.055 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@H]2CCCN2c2ccccc21 ZINC000537429852 1101782363 /nfs/dbraw/zinc/78/23/63/1101782363.db2.gz DNZBTRCJCDWZBI-CYBMUJFWSA-N -1 1 362.351 4.040 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H]2CCCN2c2ccccc21 ZINC000537429863 1101782589 /nfs/dbraw/zinc/78/25/89/1101782589.db2.gz DNZBTRCJCDWZBI-ZDUSSCGKSA-N -1 1 362.351 4.040 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC000032097477 1101898321 /nfs/dbraw/zinc/89/83/21/1101898321.db2.gz ZVNYYNRLMJRFDE-UHFFFAOYSA-N -1 1 372.446 4.129 20 0 FIADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263204288 1102001803 /nfs/dbraw/zinc/00/18/03/1102001803.db2.gz XVWKQLFPVCGVIB-QGZVFWFLSA-N -1 1 374.525 4.449 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000476249626 1102076287 /nfs/dbraw/zinc/07/62/87/1102076287.db2.gz RIKNMCKSMYJZLR-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(-c2ccc(Cl)s2)n1 ZINC000476328734 1102112733 /nfs/dbraw/zinc/11/27/33/1102112733.db2.gz FZURZUOHYNGDGZ-UHFFFAOYSA-N -1 1 368.245 4.413 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(F)cc1F ZINC000440286142 1102170887 /nfs/dbraw/zinc/17/08/87/1102170887.db2.gz WCCNOGUPKOGRLJ-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1cc2cnccc2o1 ZINC001648994598 1102174926 /nfs/dbraw/zinc/17/49/26/1102174926.db2.gz WFHHGLAUCFWCKY-JTQLQIEISA-N -1 1 367.792 4.226 20 0 FIADMM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542720 1102194059 /nfs/dbraw/zinc/19/40/59/1102194059.db2.gz URPBJDIYCLAXCD-QMMMGPOBSA-N -1 1 361.266 4.095 20 0 FIADMM CCCc1nnc([N-]C(=O)c2nc(COC)sc2-c2ccccc2)s1 ZINC000440411139 1102270555 /nfs/dbraw/zinc/27/05/55/1102270555.db2.gz CETNXJNOPNNCLD-UHFFFAOYSA-N -1 1 374.491 4.013 20 0 FIADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nc(C)cs1 ZINC000104761123 1102373854 /nfs/dbraw/zinc/37/38/54/1102373854.db2.gz YFHUETYOGLMHKR-SSDOTTSWSA-N -1 1 371.336 4.249 20 0 FIADMM O=c1nc(CN(Cc2ccccc2)Cc2ccccc2)[n-]c2ccsc21 ZINC000048419013 1102376660 /nfs/dbraw/zinc/37/66/60/1102376660.db2.gz PSGIXBMVVHKORC-UHFFFAOYSA-N -1 1 361.470 4.187 20 0 FIADMM CCCOc1ccc(Cl)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121895654 1102494839 /nfs/dbraw/zinc/49/48/39/1102494839.db2.gz JNWHUDLXVCAQDJ-UHFFFAOYSA-N -1 1 362.813 4.045 20 0 FIADMM O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc([O-])c(Cl)c1 ZINC000111666184 1102696365 /nfs/dbraw/zinc/69/63/65/1102696365.db2.gz WPSZKMCJIZVDDS-UHFFFAOYSA-N -1 1 357.797 4.057 20 0 FIADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476709910 1102721758 /nfs/dbraw/zinc/72/17/58/1102721758.db2.gz GQUAQGJDALZMQI-SECBINFHSA-N -1 1 370.305 4.279 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000192652642 1102868831 /nfs/dbraw/zinc/86/88/31/1102868831.db2.gz DENXRHOYDWRZPX-SECBINFHSA-N -1 1 355.768 4.214 20 0 FIADMM COc1cc(Cl)c(CN[C@H](CC(=O)[O-])c2ccsc2)cc1Cl ZINC000426685080 1102918388 /nfs/dbraw/zinc/91/83/88/1102918388.db2.gz FWTTVJNTUSARHQ-CYBMUJFWSA-N -1 1 360.262 4.369 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1ccc(Cl)cc1Br ZINC000426677084 1102922888 /nfs/dbraw/zinc/92/28/88/1102922888.db2.gz JBNQDGKOPIQKSW-UHFFFAOYSA-N -1 1 368.658 4.019 20 0 FIADMM COc1ccc(-c2ccncc2)cc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000426695401 1102926564 /nfs/dbraw/zinc/92/65/64/1102926564.db2.gz MVGLSNHMZNWFSC-SFHVURJKSA-N -1 1 368.458 4.124 20 0 FIADMM O=C([O-])c1ccc(CNCc2ccc(Br)cc2Cl)cc1 ZINC000426697888 1102927179 /nfs/dbraw/zinc/92/71/79/1102927179.db2.gz WEGQUTYKPVODBI-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000426690819 1102935176 /nfs/dbraw/zinc/93/51/76/1102935176.db2.gz CNQUYUZPLMJMBW-UHFFFAOYSA-N -1 1 357.759 4.276 20 0 FIADMM Cc1cccc([C@H](NCc2cc(C(F)(F)F)ccc2F)C(=O)[O-])c1C ZINC000426717323 1102938473 /nfs/dbraw/zinc/93/84/73/1102938473.db2.gz ONBPRUNTIVJVLP-INIZCTEOSA-N -1 1 355.331 4.377 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000426741665 1102958133 /nfs/dbraw/zinc/95/81/33/1102958133.db2.gz GSIGCBCNRBWEMC-ZBEGNZNMSA-N -1 1 355.331 4.396 20 0 FIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc(-c2ccccc2)on1 ZINC000152494435 1102959115 /nfs/dbraw/zinc/95/91/15/1102959115.db2.gz JUUXIUXBQVDJFT-CMDGGOBGSA-N -1 1 364.386 4.209 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1cc(Br)ccc1F)c1ccccc1 ZINC000426748151 1102964666 /nfs/dbraw/zinc/96/46/66/1102964666.db2.gz VFQJKCOKJSBDEM-ZBEGNZNMSA-N -1 1 366.230 4.140 20 0 FIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(Cl)ccc2F)cc1 ZINC000426761911 1102975093 /nfs/dbraw/zinc/97/50/93/1102975093.db2.gz FJEPLYZRLGYLIZ-QGZVFWFLSA-N -1 1 351.805 4.183 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)o3)s2)c1 ZINC000426767547 1102986948 /nfs/dbraw/zinc/98/69/48/1102986948.db2.gz OAHGFJMLDGKSMK-MRXNPFEDSA-N -1 1 372.446 4.026 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Br)cc1Cl)c1ccsc1 ZINC000426792157 1102992818 /nfs/dbraw/zinc/99/28/18/1102992818.db2.gz LDIYEIORCFAOIY-GFCCVEGCSA-N -1 1 360.660 4.080 20 0 FIADMM O=C([O-])C[C@@H](NCc1ccccc1Br)c1cccc(Cl)c1 ZINC000426791090 1102993029 /nfs/dbraw/zinc/99/30/29/1102993029.db2.gz HAXIHLMZIHCXBI-OAHLLOKOSA-N -1 1 368.658 4.408 20 0 FIADMM COc1ccc(OC)c(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c1 ZINC000426810530 1103007257 /nfs/dbraw/zinc/00/72/57/1103007257.db2.gz PIVVAIYVYIXMEI-IBGZPJMESA-N -1 1 357.450 4.133 20 0 FIADMM Cc1ccc(-c2ncc(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3)s2)o1 ZINC000426818926 1103012234 /nfs/dbraw/zinc/01/22/34/1103012234.db2.gz GTUYIJGKEITJLZ-HNNXBMFYSA-N -1 1 360.410 4.156 20 0 FIADMM COc1ccc2oc(CN[C@@H](CC(=O)[O-])c3cccc(Cl)c3)cc2c1 ZINC000426820271 1103014881 /nfs/dbraw/zinc/01/48/81/1103014881.db2.gz KVFGVRCOOYZMMH-KRWDZBQOSA-N -1 1 359.809 4.400 20 0 FIADMM COc1ccccc1[C@@H](NCc1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000426827262 1103024031 /nfs/dbraw/zinc/02/40/31/1103024031.db2.gz VRQSEMPMFFHKAN-OAHLLOKOSA-N -1 1 373.758 4.283 20 0 FIADMM COc1ccc([C@@H](NCc2ccc(Cl)cc2Cl)C(=O)[O-])cc1F ZINC000426827409 1103026254 /nfs/dbraw/zinc/02/62/54/1103026254.db2.gz IHQXJYOARXLZDE-OAHLLOKOSA-N -1 1 358.196 4.057 20 0 FIADMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105760 1103107225 /nfs/dbraw/zinc/10/72/25/1103107225.db2.gz HCSQYTFSDFXSPU-UHFFFAOYSA-N -1 1 371.824 4.475 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)cc(Cl)c1[O-] ZINC000426952183 1103124672 /nfs/dbraw/zinc/12/46/72/1103124672.db2.gz VLOXJXAPJXCJBL-IOASZLSFSA-N -1 1 359.853 4.461 20 0 FIADMM CC(F)(F)c1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000507177472 1103178243 /nfs/dbraw/zinc/17/82/43/1103178243.db2.gz IUKJENOGHUSYTR-UHFFFAOYSA-N -1 1 355.344 4.005 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2nc(-c3ccccc3)cs2)[n-]c1=O ZINC000427277026 1103401706 /nfs/dbraw/zinc/40/17/06/1103401706.db2.gz YJIFNXKHQPXKLR-FMIVXFBMSA-N -1 1 367.430 4.043 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1 ZINC000427291161 1103415372 /nfs/dbraw/zinc/41/53/72/1103415372.db2.gz DSQITBZTKOFWPP-UHFFFAOYSA-N -1 1 356.447 4.403 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc(Cl)c1[O-] ZINC000192738051 1103416345 /nfs/dbraw/zinc/41/63/45/1103416345.db2.gz CFWFJCRHPXKMPU-UHFFFAOYSA-N -1 1 356.205 4.359 20 0 FIADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1sccc1F ZINC000507535000 1103457646 /nfs/dbraw/zinc/45/76/46/1103457646.db2.gz PHDINLUNVFZUTI-GFCCVEGCSA-N -1 1 359.451 4.459 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1C ZINC000427351816 1103472232 /nfs/dbraw/zinc/47/22/32/1103472232.db2.gz IASAVYOEWRPMDG-UHFFFAOYSA-N -1 1 364.517 4.436 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C)cc(F)c3)ccc2C)n1 ZINC000477415209 1103489678 /nfs/dbraw/zinc/48/96/78/1103489678.db2.gz AKSMFJZMNWYABU-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C)sc3C)ccc2C)n1 ZINC000477414996 1103490338 /nfs/dbraw/zinc/49/03/38/1103490338.db2.gz RUKORDWRKFQTJL-UHFFFAOYSA-N -1 1 362.476 4.438 20 0 FIADMM CCc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1F ZINC000507588422 1103515916 /nfs/dbraw/zinc/51/59/16/1103515916.db2.gz ZJKSZFUYOWSIPQ-UHFFFAOYSA-N -1 1 360.410 4.152 20 0 FIADMM CCc1nc(S[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)[n-]c(=O)c1C ZINC000519713435 1103813754 /nfs/dbraw/zinc/81/37/54/1103813754.db2.gz QMZXRYRBXWKZIQ-HNNXBMFYSA-N -1 1 368.861 4.138 20 0 FIADMM C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000112404853 1104218810 /nfs/dbraw/zinc/21/88/10/1104218810.db2.gz JBFWCKQOURKOMQ-SECBINFHSA-N -1 1 370.630 4.214 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000520285515 1104231302 /nfs/dbraw/zinc/23/13/02/1104231302.db2.gz KPDUGJNWDCFICN-UHFFFAOYSA-N -1 1 358.507 4.286 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)cc1 ZINC000520395993 1104306624 /nfs/dbraw/zinc/30/66/24/1104306624.db2.gz HEZSUBGLQRMQFY-UHFFFAOYSA-N -1 1 357.884 4.261 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)cc1C ZINC000536304122 1104635616 /nfs/dbraw/zinc/63/56/16/1104635616.db2.gz ORZLMPPULHLSHA-UHFFFAOYSA-N -1 1 368.458 4.175 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCCCCC2)c1 ZINC000057809573 1104934652 /nfs/dbraw/zinc/93/46/52/1104934652.db2.gz YRARPSWTUHCBBB-UHFFFAOYSA-N -1 1 358.511 4.099 20 0 FIADMM O=C(CCCc1cc(F)ccc1F)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000536433689 1104942329 /nfs/dbraw/zinc/94/23/29/1104942329.db2.gz QHLPAZCRCACNGI-UHFFFAOYSA-N -1 1 357.360 4.022 20 0 FIADMM CC(C)(C)c1ccc(-c2ccc(CN[C@H](C[C@@H]3CCOC3)C(=O)[O-])o2)cc1 ZINC000417663165 1105055939 /nfs/dbraw/zinc/05/59/39/1105055939.db2.gz MURPQCOAEZZCCI-HNAYVOBHSA-N -1 1 371.477 4.214 20 0 FIADMM Cc1cnc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c([O-])c1 ZINC000427764913 1105275478 /nfs/dbraw/zinc/27/54/78/1105275478.db2.gz LJOGAWAPFIXCNH-UHFFFAOYSA-N -1 1 362.351 4.044 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(C)C)cc1OC ZINC000530146771 1106862059 /nfs/dbraw/zinc/86/20/59/1106862059.db2.gz PYROZLAOLQFINF-UHFFFAOYSA-N -1 1 369.870 4.281 20 0 FIADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1csc(CCc2ccccc2)n1 ZINC000530174449 1106903503 /nfs/dbraw/zinc/90/35/03/1106903503.db2.gz YBGXNFSFDYGRNX-GJZGRUSLSA-N -1 1 358.507 4.002 20 0 FIADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1Br ZINC000530175427 1106904943 /nfs/dbraw/zinc/90/49/43/1106904943.db2.gz PHUACEOMLJGPPI-PEGIJTEDSA-N -1 1 360.679 4.176 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc(C(F)(F)F)cc3)nc2)[n-]c(=O)c1C ZINC000301185568 1106956636 /nfs/dbraw/zinc/95/66/36/1106956636.db2.gz RSVDLOQEKKXIIW-UHFFFAOYSA-N -1 1 374.366 4.492 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000530312513 1106960621 /nfs/dbraw/zinc/96/06/21/1106960621.db2.gz AHEIJSMVBQNIKT-SWLSCSKDSA-N -1 1 363.816 4.259 20 0 FIADMM Cc1nc(-c2ccc(NCCCOC3CCCCC3)nc2)[n-]c(=O)c1C ZINC000301373227 1107007182 /nfs/dbraw/zinc/00/71/82/1107007182.db2.gz ULUPATFUSSQIJN-UHFFFAOYSA-N -1 1 356.470 4.012 20 0 FIADMM Cc1ccc(Cl)cc1Oc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301479171 1107042969 /nfs/dbraw/zinc/04/29/69/1107042969.db2.gz VIJRIFKKSMHCCJ-UHFFFAOYSA-N -1 1 352.781 4.275 20 0 FIADMM Cc1cnc([C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C2CC2)s1 ZINC000301505295 1107051747 /nfs/dbraw/zinc/05/17/47/1107051747.db2.gz CNUSDJUCJMKSAK-INIZCTEOSA-N -1 1 367.478 4.189 20 0 FIADMM CCS[C@H]1CCCC[C@@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301510848 1107052951 /nfs/dbraw/zinc/05/29/51/1107052951.db2.gz APGVMEUTQFFUMR-HOTGVXAUSA-N -1 1 358.511 4.337 20 0 FIADMM CCO[C@H](CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccccc1 ZINC000302833604 1107461874 /nfs/dbraw/zinc/46/18/74/1107461874.db2.gz SNCHTQFZHBTDNI-GOSISDBHSA-N -1 1 364.449 4.051 20 0 FIADMM CC(C)CNC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000614747223 1107599409 /nfs/dbraw/zinc/59/94/09/1107599409.db2.gz TYMRWHAERIECQB-UHFFFAOYSA-N -1 1 362.429 4.184 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879303 1107650000 /nfs/dbraw/zinc/65/00/00/1107650000.db2.gz UXUKHMNSJDATME-UHFFFAOYSA-N -1 1 362.451 4.422 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1F ZINC000614788507 1107772300 /nfs/dbraw/zinc/77/23/00/1107772300.db2.gz TYIDYETVHFVFFV-UHFFFAOYSA-N -1 1 357.834 4.376 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c(C)c1 ZINC000614788821 1107780457 /nfs/dbraw/zinc/78/04/57/1107780457.db2.gz QJRVDLQNFXMEIY-UHFFFAOYSA-N -1 1 374.462 4.243 20 0 FIADMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000531450002 1107907840 /nfs/dbraw/zinc/90/78/40/1107907840.db2.gz DBWFVZVUVXZPLR-UHFFFAOYSA-N -1 1 373.503 4.006 20 0 FIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2O1 ZINC000614808763 1107958244 /nfs/dbraw/zinc/95/82/44/1107958244.db2.gz YWPVCTATEKLGOW-UHFFFAOYSA-N -1 1 373.352 4.014 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000523287226 1108061275 /nfs/dbraw/zinc/06/12/75/1108061275.db2.gz RYDYRZUCNFSNKL-UHFFFAOYSA-N -1 1 359.369 4.043 20 0 FIADMM C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000531762573 1108151192 /nfs/dbraw/zinc/15/11/92/1108151192.db2.gz LVVJWLUBNAKAKG-BZNIZROVSA-N -1 1 350.340 4.029 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3(c4cc(C)cc(C)c4)CC3)no2)c1 ZINC000453313698 1108400466 /nfs/dbraw/zinc/40/04/66/1108400466.db2.gz SGVLUXCZJHLUEQ-UHFFFAOYSA-N -1 1 363.417 4.097 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3cncc(F)c3)n2)cc(Cl)c1[O-] ZINC000445411596 1108720349 /nfs/dbraw/zinc/72/03/49/1108720349.db2.gz LFHYIYRKQZCABF-ONEGZZNKSA-N -1 1 361.760 4.199 20 0 FIADMM CCOc1cc(-c2noc(C[C@@H]3CCO[C@@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445413340 1108721686 /nfs/dbraw/zinc/72/16/86/1108721686.db2.gz YFMNOLZNBXCPCE-YPMHNXCESA-N -1 1 366.845 4.242 20 0 FIADMM CCOc1cc(-c2noc(-c3ccc(F)c(F)c3)n2)cc(Cl)c1[O-] ZINC000445406453 1108731931 /nfs/dbraw/zinc/73/19/31/1108731931.db2.gz JRNAVRUJBWEAIM-UHFFFAOYSA-N -1 1 352.724 4.440 20 0 FIADMM CCOc1cc(-c2noc(CCc3cccc(OC)c3)n2)cc(Cl)c1[O-] ZINC000445406781 1108732067 /nfs/dbraw/zinc/73/20/67/1108732067.db2.gz KWJHKVLZLOVIKO-UHFFFAOYSA-N -1 1 374.824 4.288 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1F ZINC000524017682 1108736378 /nfs/dbraw/zinc/73/63/78/1108736378.db2.gz OGPWSXUCYVRQGY-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CCOc1cc(-c2noc(CCNc3ccccc3C)n2)cc(Cl)c1[O-] ZINC000445432525 1108743521 /nfs/dbraw/zinc/74/35/21/1108743521.db2.gz TZHOMODAJZDMNN-UHFFFAOYSA-N -1 1 373.840 4.457 20 0 FIADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(C(F)(F)F)cc1 ZINC000532292193 1108745988 /nfs/dbraw/zinc/74/59/88/1108745988.db2.gz TVMHUJLHTBAFAW-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccnc3OCC(F)(F)F)n2)c(Cl)c1 ZINC000445449547 1108751987 /nfs/dbraw/zinc/75/19/87/1108751987.db2.gz VIFXBNGOXSVCPN-UHFFFAOYSA-N -1 1 371.702 4.099 20 0 FIADMM O=C(CCc1nc(-c2ccc([O-])cc2Cl)no1)c1ccc2c(c1)CCC2 ZINC000445449937 1108752986 /nfs/dbraw/zinc/75/29/86/1108752986.db2.gz WTWMFMHTIMQQCB-UHFFFAOYSA-N -1 1 368.820 4.400 20 0 FIADMM COc1ccc(C(F)(F)c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445444544 1108769309 /nfs/dbraw/zinc/76/93/09/1108769309.db2.gz GSZPPZLSGNQXDI-UHFFFAOYSA-N -1 1 352.724 4.244 20 0 FIADMM COc1ccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4Cl)no3)c2c1 ZINC000445444375 1108770109 /nfs/dbraw/zinc/77/01/09/1108770109.db2.gz JALWJRBNTCXPAA-UHFFFAOYSA-N -1 1 355.781 4.176 20 0 FIADMM O=C(CSCc1nc(-c2ccc([O-])cc2Cl)no1)c1ccccc1 ZINC000445445616 1108771013 /nfs/dbraw/zinc/77/10/13/1108771013.db2.gz MLXGKZQHDCUQLY-UHFFFAOYSA-N -1 1 360.822 4.212 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccnc(OCC(F)(F)F)c3)n2)c(Cl)c1 ZINC000445446305 1108773679 /nfs/dbraw/zinc/77/36/79/1108773679.db2.gz DCWLCKZYHBDKQX-UHFFFAOYSA-N -1 1 371.702 4.099 20 0 FIADMM CCOc1cc(-c2nc([C@H]3COc4ccccc4O3)no2)cc(Cl)c1[O-] ZINC000445468502 1108779977 /nfs/dbraw/zinc/77/99/77/1108779977.db2.gz DOQBZJYGQCSLJK-OAHLLOKOSA-N -1 1 374.780 4.007 20 0 FIADMM C/C=C/c1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)c(OC)c1 ZINC000445452369 1108784914 /nfs/dbraw/zinc/78/49/14/1108784914.db2.gz BNQPMNLAHLQKKP-ONEGZZNKSA-N -1 1 356.353 4.202 20 0 FIADMM Cc1nc(-c2ccccn2)sc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445456770 1108789964 /nfs/dbraw/zinc/78/99/64/1108789964.db2.gz QANVIUXTMMFWGK-UHFFFAOYSA-N -1 1 354.366 4.075 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OCc4cscn4)c3)n2)c(F)c1 ZINC000445458303 1108791810 /nfs/dbraw/zinc/79/18/10/1108791810.db2.gz RVSITNCVJWLAHB-UHFFFAOYSA-N -1 1 369.377 4.284 20 0 FIADMM CCn1c2ccccc2nc1SCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476998 1108797397 /nfs/dbraw/zinc/79/73/97/1108797397.db2.gz LAPADDBJRGNDBZ-UHFFFAOYSA-N -1 1 370.409 4.243 20 0 FIADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(=O)c1ccc(Cl)cc1 ZINC000445480800 1108799679 /nfs/dbraw/zinc/79/96/79/1108799679.db2.gz JSVPREVBRVWOOC-SNVBAGLBSA-N -1 1 360.772 4.296 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCC(F)(F)F)cc3)n2)cc1F ZINC000445483813 1108804253 /nfs/dbraw/zinc/80/42/53/1108804253.db2.gz VJNYUURCZKGWRJ-UHFFFAOYSA-N -1 1 354.259 4.189 20 0 FIADMM COc1ccccc1C(C)(C)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000445679753 1108943905 /nfs/dbraw/zinc/94/39/05/1108943905.db2.gz CPJSHLFTSCJOAK-UHFFFAOYSA-N -1 1 374.824 4.439 20 0 FIADMM COc1cc(-c2nc(-c3ccc(Cl)cc3OC)no2)cc(Cl)c1[O-] ZINC000445672186 1108950644 /nfs/dbraw/zinc/95/06/44/1108950644.db2.gz JUBDVVLSAXXBGV-UHFFFAOYSA-N -1 1 367.188 4.433 20 0 FIADMM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cc(Cl)sc1Cl ZINC000524498536 1109044543 /nfs/dbraw/zinc/04/45/43/1109044543.db2.gz ULRHHODVIAQIBI-UHFFFAOYSA-N -1 1 373.286 4.082 20 0 FIADMM Cc1cc2occ(C=C([O-])Nc3nc(-c4ccsc4)ns3)c2cc1C ZINC000524680845 1109117551 /nfs/dbraw/zinc/11/75/51/1109117551.db2.gz ANPIJCZMVNJGHN-UHFFFAOYSA-N -1 1 369.471 4.233 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc2ncccc2c1 ZINC000524814847 1109163248 /nfs/dbraw/zinc/16/32/48/1109163248.db2.gz CNUDFAFIWDRGFR-UHFFFAOYSA-N -1 1 367.455 4.159 20 0 FIADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(F)c(Br)cc1F ZINC000928781623 1109212853 /nfs/dbraw/zinc/21/28/53/1109212853.db2.gz VOHDTFRRHQUFTB-UHFFFAOYSA-N -1 1 359.170 4.399 20 0 FIADMM CCCCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000525006895 1109228862 /nfs/dbraw/zinc/22/88/62/1109228862.db2.gz GHXQCGCUGKJJGD-UHFFFAOYSA-N -1 1 373.396 4.392 20 0 FIADMM CC[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)C ZINC000525069434 1109248468 /nfs/dbraw/zinc/24/84/68/1109248468.db2.gz WLQZMNWOXBGVQA-INIZCTEOSA-N -1 1 374.506 4.498 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1OC(C)C ZINC000525482421 1109398980 /nfs/dbraw/zinc/39/89/80/1109398980.db2.gz QPDXPLNANVIXNG-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(SC)cc2OC)cc(Cl)c1[O-] ZINC000446991731 1109408280 /nfs/dbraw/zinc/40/82/80/1109408280.db2.gz ZHPJRYMDUTYLSO-UHFFFAOYSA-N -1 1 367.854 4.427 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccccc1Cl ZINC000447265935 1109491404 /nfs/dbraw/zinc/49/14/04/1109491404.db2.gz UPJQZCVRUPNYER-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000525957113 1109569742 /nfs/dbraw/zinc/56/97/42/1109569742.db2.gz HVZNKKJSQPBKII-UHFFFAOYSA-N -1 1 359.731 4.003 20 0 FIADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447790457 1109645416 /nfs/dbraw/zinc/64/54/16/1109645416.db2.gz ATZVYXAQRRCLHE-UHFFFAOYSA-N -1 1 359.369 4.351 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000448117180 1109722463 /nfs/dbraw/zinc/72/24/63/1109722463.db2.gz VVVWAMQTGGATBD-UHFFFAOYSA-N -1 1 366.442 4.142 20 0 FIADMM CC(C)(C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCC1 ZINC000448704534 1109868703 /nfs/dbraw/zinc/86/87/03/1109868703.db2.gz MHJKHOAXCVKSFS-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538525 1110286539 /nfs/dbraw/zinc/28/65/39/1110286539.db2.gz COMFZKOGTZSIKN-QGZVFWFLSA-N -1 1 374.868 4.319 20 0 FIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nnc(-c3ccsc3)s2)n1 ZINC000121049025 1110300246 /nfs/dbraw/zinc/30/02/46/1110300246.db2.gz RTNSYAGWXIXBKL-UHFFFAOYSA-N -1 1 365.871 4.086 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000538510685 1111174702 /nfs/dbraw/zinc/17/47/02/1111174702.db2.gz DBNDQXHHWNUTOG-GDBMZVCRSA-N -1 1 372.490 4.171 20 0 FIADMM CN1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])c2ccc(F)cc21 ZINC000538526932 1111179187 /nfs/dbraw/zinc/17/91/87/1111179187.db2.gz ISJJAGOLHLFYNZ-UHFFFAOYSA-N -1 1 368.330 4.037 20 0 FIADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000538938086 1111351527 /nfs/dbraw/zinc/35/15/27/1111351527.db2.gz WKLBJKLVXLTMFX-UHFFFAOYSA-N -1 1 373.474 4.041 20 0 FIADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552195763 1111610495 /nfs/dbraw/zinc/61/04/95/1111610495.db2.gz GCIUOSHKNGGOJD-SCZZXKLOSA-N -1 1 362.651 4.094 20 0 FIADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCC1)c1cc(F)c(F)cc1F ZINC000552481120 1111716080 /nfs/dbraw/zinc/71/60/80/1111716080.db2.gz SRYUQAHXYJFFOL-KRWDZBQOSA-N -1 1 373.371 4.063 20 0 FIADMM COc1cc(C(=O)N(C)Cc2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000552568158 1111753908 /nfs/dbraw/zinc/75/39/08/1111753908.db2.gz JCQJSGYVYGLRTL-UHFFFAOYSA-N -1 1 355.821 4.480 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000552588535 1111758163 /nfs/dbraw/zinc/75/81/63/1111758163.db2.gz DGKVJPGFGPIZSN-UHFFFAOYSA-N -1 1 365.669 4.459 20 0 FIADMM O=C(CCC1CCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478455297 1111780019 /nfs/dbraw/zinc/78/00/19/1111780019.db2.gz GHMHPEBZMOBTJP-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM CC[C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000478693947 1111852410 /nfs/dbraw/zinc/85/24/10/1111852410.db2.gz KPPJOFYVLJPYAK-CQSZACIVSA-N -1 1 360.479 4.171 20 0 FIADMM CC[C@@H](C)CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000478897803 1111912872 /nfs/dbraw/zinc/91/28/72/1111912872.db2.gz MSBFSGSCZZAOJV-CYBMUJFWSA-N -1 1 364.442 4.001 20 0 FIADMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000479272829 1111983952 /nfs/dbraw/zinc/98/39/52/1111983952.db2.gz DPLAGNSAUCESOK-UHFFFAOYSA-N -1 1 374.821 4.337 20 0 FIADMM CC(C)N(Cc1ccccc1F)C(=O)c1ccc(Br)cc1[O-] ZINC001142574297 1112252927 /nfs/dbraw/zinc/25/29/27/1112252927.db2.gz MWVZTDQOMNWIGM-UHFFFAOYSA-N -1 1 366.230 4.345 20 0 FIADMM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccc(F)c([O-])c1 ZINC001142592131 1112420023 /nfs/dbraw/zinc/42/00/23/1112420023.db2.gz GJBWACSALBVWGH-UHFFFAOYSA-N -1 1 371.412 4.192 20 0 FIADMM Cc1ccc(CC(=O)Nc2c([O-])cc(Br)cc2Cl)s1 ZINC000554684865 1112441736 /nfs/dbraw/zinc/44/17/36/1112441736.db2.gz CUSGWVSZNNFDSK-UHFFFAOYSA-N -1 1 360.660 4.359 20 0 FIADMM CCCO[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000554861128 1112526890 /nfs/dbraw/zinc/52/68/90/1112526890.db2.gz UDKHDVHMQPAYAJ-CQSZACIVSA-N -1 1 362.857 4.015 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CC(C)(C)C(F)(F)F)c1 ZINC000480730208 1112575245 /nfs/dbraw/zinc/57/52/45/1112575245.db2.gz PUCHLGANYVJHQT-UHFFFAOYSA-N -1 1 354.166 4.380 20 0 FIADMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000156529350 1112589138 /nfs/dbraw/zinc/58/91/38/1112589138.db2.gz ZVFHGXXUMAUASY-UHFFFAOYSA-N -1 1 356.328 4.034 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000555119246 1112681885 /nfs/dbraw/zinc/68/18/85/1112681885.db2.gz BXHQXIPIEYWREC-UHFFFAOYSA-N -1 1 364.225 4.080 20 0 FIADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000600135778 1112904852 /nfs/dbraw/zinc/90/48/52/1112904852.db2.gz LKAAYMMQULANOW-NEPJUHHUSA-N -1 1 361.825 4.117 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1Cl ZINC000481957483 1113140911 /nfs/dbraw/zinc/14/09/11/1113140911.db2.gz LXDUCCLEEXGYEG-UHFFFAOYSA-N -1 1 374.796 4.037 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c(F)ccc(C)c2F)c1 ZINC000482599587 1113308685 /nfs/dbraw/zinc/30/86/85/1113308685.db2.gz GIYQIXMYYLWDTO-UHFFFAOYSA-N -1 1 356.166 4.302 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)OCc2ccccc2)c1 ZINC000482708207 1113337758 /nfs/dbraw/zinc/33/77/58/1113337758.db2.gz MUCZJNDARLMRRC-GFCCVEGCSA-N -1 1 364.239 4.007 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2scnc2C(C)(C)C)c1 ZINC000482738646 1113346207 /nfs/dbraw/zinc/34/62/07/1113346207.db2.gz WOFJJFAMCDZGPG-UHFFFAOYSA-N -1 1 369.284 4.469 20 0 FIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(Cl)c1F ZINC000482945743 1113405034 /nfs/dbraw/zinc/40/50/34/1113405034.db2.gz JZPPVVWUFZCPKP-UHFFFAOYSA-N -1 1 373.815 4.491 20 0 FIADMM Cc1ccc(-c2cnc(NC(=O)c3cnc(C4CC4)[n-]c3=O)s2)c(C)c1 ZINC000907438656 1113542082 /nfs/dbraw/zinc/54/20/82/1113542082.db2.gz XYRGUSKQHZLWMA-UHFFFAOYSA-N -1 1 366.446 4.052 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@H]3c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000486444097 1113569861 /nfs/dbraw/zinc/56/98/61/1113569861.db2.gz VIESPBACSQCKLK-GOSISDBHSA-N -1 1 364.424 4.342 20 0 FIADMM CSc1nc(C)c(CCC(=O)N(CC(C)(C)C)c2ccccc2)c(=O)[n-]1 ZINC000486612135 1113602421 /nfs/dbraw/zinc/60/24/21/1113602421.db2.gz UUGRNUQVRDZLFP-UHFFFAOYSA-N -1 1 373.522 4.224 20 0 FIADMM Cc1nc(-c2ccc(C)c(NC(=O)Nc3ccc([O-])c(Cl)c3)c2)n[nH]1 ZINC000486961103 1113687658 /nfs/dbraw/zinc/68/76/58/1113687658.db2.gz BVKYXGZDZXUIRU-UHFFFAOYSA-N -1 1 357.801 4.092 20 0 FIADMM CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1F ZINC000489537025 1114129449 /nfs/dbraw/zinc/12/94/49/1114129449.db2.gz LGRAMOFZVZSLQV-CQSZACIVSA-N -1 1 370.193 4.314 20 0 FIADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)c(F)cc1Br ZINC000490053822 1114210875 /nfs/dbraw/zinc/21/08/75/1114210875.db2.gz AMMHBWIROZOKTB-UHFFFAOYSA-N -1 1 360.129 4.133 20 0 FIADMM CC(F)(F)c1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000490226455 1114239229 /nfs/dbraw/zinc/23/92/29/1114239229.db2.gz BJUZDEMTGAJBQD-UHFFFAOYSA-N -1 1 370.193 4.196 20 0 FIADMM CC[C@H](CN(C)C(=O)c1ncccc1[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000470733786 1114355317 /nfs/dbraw/zinc/35/53/17/1114355317.db2.gz RKOXONXWNMUPRJ-LLVKDONJSA-N -1 1 369.248 4.024 20 0 FIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000055600308 1114497783 /nfs/dbraw/zinc/49/77/83/1114497783.db2.gz KBPBDQNAGIWNRO-UHFFFAOYSA-N -1 1 368.842 4.018 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1 ZINC000588634409 1114589255 /nfs/dbraw/zinc/58/92/55/1114589255.db2.gz WFWPVHPCJDZGGF-UHFFFAOYSA-N -1 1 373.446 4.162 20 0 FIADMM Cc1oc(CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1C(=O)[O-] ZINC000572414682 1114636584 /nfs/dbraw/zinc/63/65/84/1114636584.db2.gz HMDKTLHAROHGGX-LBPRGKRZSA-N -1 1 370.232 4.246 20 0 FIADMM Cc1ccccc1-c1nc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cs1 ZINC000589689445 1114828049 /nfs/dbraw/zinc/82/80/49/1114828049.db2.gz IMKORXOTSJNLMV-UHFFFAOYSA-N -1 1 366.471 4.244 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](c4ccccc4)CC3)cnc2n1 ZINC000589702655 1114829745 /nfs/dbraw/zinc/82/97/45/1114829745.db2.gz HWIPTIVSRCBIOG-KRWDZBQOSA-N -1 1 361.445 4.054 20 0 FIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](c3ccccc3)CC1)c2=O ZINC000589702655 1114829750 /nfs/dbraw/zinc/82/97/50/1114829750.db2.gz HWIPTIVSRCBIOG-KRWDZBQOSA-N -1 1 361.445 4.054 20 0 FIADMM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590069852 1114892735 /nfs/dbraw/zinc/89/27/35/1114892735.db2.gz IJKCEBNBMYQWPR-CMPLNLGQSA-N -1 1 366.346 4.148 20 0 FIADMM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000590069854 1114892866 /nfs/dbraw/zinc/89/28/66/1114892866.db2.gz IJKCEBNBMYQWPR-PWSUYJOCSA-N -1 1 366.346 4.148 20 0 FIADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000590987450 1115006548 /nfs/dbraw/zinc/00/65/48/1115006548.db2.gz GZTFYOGOCMIEOQ-RTBURBONSA-N -1 1 372.509 4.211 20 0 FIADMM CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000590987449 1115006586 /nfs/dbraw/zinc/00/65/86/1115006586.db2.gz GZTFYOGOCMIEOQ-RBUKOAKNSA-N -1 1 372.509 4.211 20 0 FIADMM CCOc1ccc(CN(C)Cn2c(Cc3cccs3)n[n-]c2=S)cc1 ZINC000058204906 1115138749 /nfs/dbraw/zinc/13/87/49/1115138749.db2.gz WRDRAMZBYDUTKJ-UHFFFAOYSA-N -1 1 374.535 4.081 20 0 FIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCC(c2ccccc2)CC1 ZINC000058205716 1115139103 /nfs/dbraw/zinc/13/91/03/1115139103.db2.gz PEZHAUBTJWZPCW-UHFFFAOYSA-N -1 1 370.547 4.430 20 0 FIADMM COc1cc(NC(=O)c2ccccc2[O-])ccc1NC(=O)OC(C)(C)C ZINC000046204698 1115226333 /nfs/dbraw/zinc/22/63/33/1115226333.db2.gz WFCNZDROXJOIIW-UHFFFAOYSA-N -1 1 358.394 4.000 20 0 FIADMM CCCSC[C@H](NCc1cnc(-c2ccc(C)c(C)c2)s1)C(=O)[O-] ZINC000593948353 1115362478 /nfs/dbraw/zinc/36/24/78/1115362478.db2.gz WIZKWBCHWXXSRZ-INIZCTEOSA-N -1 1 364.536 4.113 20 0 FIADMM COc1ccc(C(F)(F)C(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC001127174404 1115597679 /nfs/dbraw/zinc/59/76/79/1115597679.db2.gz FEILHQXULFKDJJ-INIZCTEOSA-N -1 1 373.321 4.381 20 0 FIADMM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000598205419 1115714383 /nfs/dbraw/zinc/71/43/83/1115714383.db2.gz LHVDUKRMIIOBRC-OAHLLOKOSA-N -1 1 371.408 4.007 20 0 FIADMM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)CC1 ZINC000061035485 1115756588 /nfs/dbraw/zinc/75/65/88/1115756588.db2.gz BDZHQFBQXWHBHS-UHFFFAOYSA-N -1 1 364.898 4.377 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)cc1 ZINC000171598425 1115872327 /nfs/dbraw/zinc/87/23/27/1115872327.db2.gz ZVRSGSCZUNHCGC-DLBZAZTESA-N -1 1 372.538 4.247 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3ccccc3OC3CCC3)[nH][n-]2)s1 ZINC000605332077 1115886778 /nfs/dbraw/zinc/88/67/78/1115886778.db2.gz GVSSJASIYSCNID-UHFFFAOYSA-N -1 1 353.447 4.052 20 0 FIADMM CC(C)(C)C1CCN(Cn2c(Cc3cccs3)n[n-]c2=S)CC1 ZINC000172013546 1115905626 /nfs/dbraw/zinc/90/56/26/1115905626.db2.gz JIGZNFOSOKARDY-UHFFFAOYSA-N -1 1 350.557 4.309 20 0 FIADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000230406151 1115926975 /nfs/dbraw/zinc/92/69/75/1115926975.db2.gz FEKDKFIKEIRLKM-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM C[C@@H]1CC(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C[C@@H](C)C1 ZINC000172412600 1115940846 /nfs/dbraw/zinc/94/08/46/1115940846.db2.gz PECZKCPFGARNIC-RYUDHWBXSA-N -1 1 364.540 4.000 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc2ncccc2c1 ZINC000607031186 1115994277 /nfs/dbraw/zinc/99/42/77/1115994277.db2.gz QGSNQRRGPHQIRV-UHFFFAOYSA-N -1 1 367.474 4.026 20 0 FIADMM CC(C)c1ccc2nc(-c3cccc(OCC(F)(F)F)n3)[n-]c(=O)c2c1 ZINC000607390875 1116021882 /nfs/dbraw/zinc/02/18/82/1116021882.db2.gz NRRMHCJBPCLVDH-UHFFFAOYSA-N -1 1 363.339 4.462 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1Cl ZINC000607613707 1116049258 /nfs/dbraw/zinc/04/92/58/1116049258.db2.gz PXPQVCQDLSUDHU-UHFFFAOYSA-N -1 1 362.838 4.088 20 0 FIADMM C[C@H]1C[C@H](c2ccccc2F)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000173380820 1116059506 /nfs/dbraw/zinc/05/95/06/1116059506.db2.gz ISEQSNOMGXMCJX-SUMWQHHRSA-N -1 1 369.469 4.182 20 0 FIADMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000173380838 1116059593 /nfs/dbraw/zinc/05/95/93/1116059593.db2.gz ISEQSNOMGXMCJX-DYVFJYSZSA-N -1 1 369.469 4.182 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c2ccccc12 ZINC000608258211 1116091985 /nfs/dbraw/zinc/09/19/85/1116091985.db2.gz RNQGLFFWPHWBNE-UHFFFAOYSA-N -1 1 373.478 4.060 20 0 FIADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000608365765 1116102297 /nfs/dbraw/zinc/10/22/97/1116102297.db2.gz JEDHRJAONLBPGQ-WDEREUQCSA-N -1 1 355.287 4.172 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000608365919 1116102721 /nfs/dbraw/zinc/10/27/21/1116102721.db2.gz CVDOQGRDQLGIKS-UHFFFAOYSA-N -1 1 374.375 4.031 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000174365096 1116130972 /nfs/dbraw/zinc/13/09/72/1116130972.db2.gz AVWJYXFVYDDCGA-NVXWUHKLSA-N -1 1 370.522 4.097 20 0 FIADMM CSCc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000608955779 1116139865 /nfs/dbraw/zinc/13/98/65/1116139865.db2.gz MXEWZFVFTTVUSK-UHFFFAOYSA-N -1 1 372.309 4.113 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1Cl ZINC000534132722 1116163245 /nfs/dbraw/zinc/16/32/45/1116163245.db2.gz PMIWSCOUNYTBCI-UHFFFAOYSA-N -1 1 358.237 4.158 20 0 FIADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)s1 ZINC000534207723 1116169541 /nfs/dbraw/zinc/16/95/41/1116169541.db2.gz ZEAZFFRUNAZVDV-UHFFFAOYSA-N -1 1 370.805 4.233 20 0 FIADMM COCC[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000456292240 1116174875 /nfs/dbraw/zinc/17/48/75/1116174875.db2.gz OSVVVJZQXZROQF-INIZCTEOSA-N -1 1 371.330 4.058 20 0 FIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000534401617 1116196012 /nfs/dbraw/zinc/19/60/12/1116196012.db2.gz QVYVQGINGWVERP-UHFFFAOYSA-N -1 1 357.834 4.205 20 0 FIADMM CCOc1cc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc(Cl)c1[O-] ZINC000456572801 1116204535 /nfs/dbraw/zinc/20/45/35/1116204535.db2.gz CMTYMHQUCQKMCT-KRWDZBQOSA-N -1 1 361.825 4.405 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC)c(CC)c2)c1 ZINC000534498411 1116207711 /nfs/dbraw/zinc/20/77/11/1116207711.db2.gz OKHBLYCBLFPDDS-UHFFFAOYSA-N -1 1 374.506 4.269 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2cnc(-c3cccnc3)s2)s1 ZINC000534913124 1116251715 /nfs/dbraw/zinc/25/17/15/1116251715.db2.gz QJDSJEOTEUTMNU-UHFFFAOYSA-N -1 1 359.480 4.213 20 0 FIADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(C(F)(F)F)cc1 ZINC000534942473 1116254693 /nfs/dbraw/zinc/25/46/93/1116254693.db2.gz MUTDWODXUGMQDX-UHFFFAOYSA-N -1 1 352.337 4.054 20 0 FIADMM O=S(=O)([N-]c1ccccc1NC1CCCCC1)c1ccc2c(c1)COC2 ZINC000535025293 1116262731 /nfs/dbraw/zinc/26/27/31/1116262731.db2.gz NAFSCPDKWNDBOG-UHFFFAOYSA-N -1 1 372.490 4.262 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2sc(C)nc2-c2ccccc2)c1 ZINC000535094573 1116269260 /nfs/dbraw/zinc/26/92/60/1116269260.db2.gz MFJBDKJWVYHGLO-UHFFFAOYSA-N -1 1 367.430 4.035 20 0 FIADMM Cc1ccc(-c2nc(C(=O)[N-]c3c(F)cc(F)cc3F)cs2)n1C ZINC000535500163 1116312435 /nfs/dbraw/zinc/31/24/35/1116312435.db2.gz SSSLQVJQQIICAP-UHFFFAOYSA-N -1 1 351.353 4.127 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000539935832 1117756130 /nfs/dbraw/zinc/75/61/30/1117756130.db2.gz RPKJPVKMGUDOPH-UHFFFAOYSA-N -1 1 374.412 4.300 20 0 FIADMM CO[C@@H](C)c1nsc([N-]C(=O)c2cnc(-c3ccc(C)cc3C)s2)n1 ZINC000669852647 1117773909 /nfs/dbraw/zinc/77/39/09/1117773909.db2.gz VBQBLZXPFFZCJT-NSHDSACASA-N -1 1 374.491 4.238 20 0 FIADMM COc1cc(C(=O)NCCc2c(Cl)cccc2Cl)cc(Cl)c1[O-] ZINC000443330281 1118048422 /nfs/dbraw/zinc/04/84/22/1118048422.db2.gz BOKPRHQCMFDVDA-UHFFFAOYSA-N -1 1 374.651 4.334 20 0 FIADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000463901384 1118366038 /nfs/dbraw/zinc/36/60/38/1118366038.db2.gz ZPQXCCRDXBOFLR-CVEARBPZSA-N -1 1 374.506 4.042 20 0 FIADMM Cc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cnn1C1CCCCC1 ZINC000541905577 1118700900 /nfs/dbraw/zinc/70/09/00/1118700900.db2.gz TVQXXHGEMAVPGT-UHFFFAOYSA-N -1 1 365.437 4.045 20 0 FIADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000615225851 1119006880 /nfs/dbraw/zinc/00/68/80/1119006880.db2.gz HLROQIMTTBKQLS-UHFFFAOYSA-N -1 1 367.371 4.283 20 0 FIADMM CC1(C)CN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1c1ccccc1 ZINC000492690842 1119165155 /nfs/dbraw/zinc/16/51/55/1119165155.db2.gz IVUHGAMWNGTCPF-OAHLLOKOSA-N -1 1 374.278 4.421 20 0 FIADMM CCCCCc1nnc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)s1 ZINC000184741446 1119519034 /nfs/dbraw/zinc/51/90/34/1119519034.db2.gz BOEJJQCSVKLVCL-UHFFFAOYSA-N -1 1 360.414 4.317 20 0 FIADMM O=C(NCc1ccc(C(F)F)cc1)c1ccc(Br)c([O-])c1 ZINC000185405769 1119660783 /nfs/dbraw/zinc/66/07/83/1119660783.db2.gz SYKGSIREIYEBNM-UHFFFAOYSA-N -1 1 356.166 4.022 20 0 FIADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000152579303 1119848121 /nfs/dbraw/zinc/84/81/21/1119848121.db2.gz CVQUGWYPRWDQCV-IUODEOHRSA-N -1 1 360.251 4.173 20 0 FIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)c2C1 ZINC000494485636 1119877298 /nfs/dbraw/zinc/87/72/98/1119877298.db2.gz LBMQWMCFEPQMCG-UHFFFAOYSA-N -1 1 358.507 4.336 20 0 FIADMM CCOCCOCc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190944778 1119955378 /nfs/dbraw/zinc/95/53/78/1119955378.db2.gz AGCPYNWIGPPEHT-UHFFFAOYSA-N -1 1 364.829 4.243 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc(Cl)c1[O-] ZINC000191451669 1119977624 /nfs/dbraw/zinc/97/76/24/1119977624.db2.gz QRGPYYXBOBVCCP-OAHLLOKOSA-N -1 1 361.825 4.006 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000192174538 1120036310 /nfs/dbraw/zinc/03/63/10/1120036310.db2.gz XSQWISYMMTZZJU-UHFFFAOYSA-N -1 1 373.840 4.316 20 0 FIADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1C(=O)NC(C)C ZINC000192216232 1120041725 /nfs/dbraw/zinc/04/17/25/1120041725.db2.gz BKDDUYACZDWUFK-UHFFFAOYSA-N -1 1 361.829 4.136 20 0 FIADMM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192314875 1120052993 /nfs/dbraw/zinc/05/29/93/1120052993.db2.gz AYLUYYFQBGEAKW-UHFFFAOYSA-N -1 1 373.840 4.138 20 0 FIADMM Cc1ccc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])cc1 ZINC000761702746 1120258044 /nfs/dbraw/zinc/25/80/44/1120258044.db2.gz QVQZQLPFVJBIOS-UHFFFAOYSA-N -1 1 368.311 4.064 20 0 FIADMM CCC[C@@H](C)c1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000761855129 1120554775 /nfs/dbraw/zinc/55/47/75/1120554775.db2.gz SHLWZIJPKJQXTA-SECBINFHSA-N -1 1 373.331 4.457 20 0 FIADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000230215559 1120558999 /nfs/dbraw/zinc/55/89/99/1120558999.db2.gz KYIULJCWJGSLJI-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM O=C(CCC1CCC1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176587592 1120631342 /nfs/dbraw/zinc/63/13/42/1120631342.db2.gz OSIUYGMHOLWKJN-UHFFFAOYSA-N -1 1 368.458 4.275 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)cc1 ZINC000303028350 1120726487 /nfs/dbraw/zinc/72/64/87/1120726487.db2.gz SVCJUVDSEKZYNK-CYBMUJFWSA-N -1 1 370.478 4.094 20 0 FIADMM CC[C@H](C)CN(CC)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000176612104 1120926300 /nfs/dbraw/zinc/92/63/00/1120926300.db2.gz VMWFLOCBIICJCP-AWEZNQCLSA-N -1 1 360.527 4.201 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)s1 ZINC000235885590 1120957037 /nfs/dbraw/zinc/95/70/37/1120957037.db2.gz ZYLBXMMNWRVURP-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM Cc1sc(Cl)nc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000762867273 1120974794 /nfs/dbraw/zinc/97/47/94/1120974794.db2.gz UJCIQDFDUCVONZ-UHFFFAOYSA-N -1 1 368.896 4.360 20 0 FIADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000915640441 1121014216 /nfs/dbraw/zinc/01/42/16/1121014216.db2.gz KPGZNPBTQWLELT-UHFFFAOYSA-N -1 1 368.443 4.482 20 0 FIADMM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1[O-] ZINC000031471188 1121084188 /nfs/dbraw/zinc/08/41/88/1121084188.db2.gz FGDQEFUPMGUVGF-UHFFFAOYSA-N -1 1 354.793 4.272 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1C ZINC000036760501 1121132811 /nfs/dbraw/zinc/13/28/11/1121132811.db2.gz JWBFNGYIJWUYGC-UHFFFAOYSA-N -1 1 368.458 4.078 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C(F)(F)F)c1 ZINC000054293225 1121187675 /nfs/dbraw/zinc/18/76/75/1121187675.db2.gz XRHQASXEAGBJGA-UHFFFAOYSA-N -1 1 371.380 4.004 20 0 FIADMM CCC(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058225270 1121392415 /nfs/dbraw/zinc/39/24/15/1121392415.db2.gz FESVJFRGNAUCFA-UHFFFAOYSA-N -1 1 360.479 4.171 20 0 FIADMM COc1ccccc1[C@@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000916147186 1121428459 /nfs/dbraw/zinc/42/84/59/1121428459.db2.gz BFXVTNVXQVQAIF-LLVKDONJSA-N -1 1 359.809 4.011 20 0 FIADMM Cc1nc(NC(=O)C[C@H]2CCC[C@@H](C)C2)sc1-c1n[n-]c(=S)n1C ZINC000153888876 1121439508 /nfs/dbraw/zinc/43/95/08/1121439508.db2.gz OTZAQRCNMUGNBG-KOLCDFICSA-N -1 1 365.528 4.065 20 0 FIADMM CC(C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccs1 ZINC000060507507 1121479066 /nfs/dbraw/zinc/47/90/66/1121479066.db2.gz IIUCUEVRZRNFPM-ZDUSSCGKSA-N -1 1 363.426 4.231 20 0 FIADMM CCc1c(C)sc2nc(-c3cnn(-c4cccc(Cl)c4)c3)[n-]c(=O)c12 ZINC000060792028 1121495554 /nfs/dbraw/zinc/49/55/54/1121495554.db2.gz FJFLUYXRHCRNDV-UHFFFAOYSA-N -1 1 370.865 4.362 20 0 FIADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000062017884 1121558211 /nfs/dbraw/zinc/55/82/11/1121558211.db2.gz WGDMPTMSCVIVCD-SNVBAGLBSA-N -1 1 352.203 4.127 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000064621326 1121623490 /nfs/dbraw/zinc/62/34/90/1121623490.db2.gz QTKPRTPTQHQWAE-UHFFFAOYSA-N -1 1 355.463 4.175 20 0 FIADMM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000109014547 1121626585 /nfs/dbraw/zinc/62/65/85/1121626585.db2.gz LLXOOFHOLASMRF-UHFFFAOYSA-N -1 1 374.868 4.102 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000068452978 1121828460 /nfs/dbraw/zinc/82/84/60/1121828460.db2.gz DFCGRFOCIVSHEC-UHFFFAOYSA-N -1 1 366.490 4.134 20 0 FIADMM CCc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc1 ZINC000068447136 1121829825 /nfs/dbraw/zinc/82/98/25/1121829825.db2.gz BGNXQQJFSSGBSX-UHFFFAOYSA-N -1 1 358.511 4.104 20 0 FIADMM CCOc1cc(-c2noc(C[C@H](C)C(F)(F)F)n2)cc(Cl)c1[O-] ZINC000624574649 1122040661 /nfs/dbraw/zinc/04/06/61/1122040661.db2.gz UTVWJEGRDZKWFT-ZETCQYMHSA-N -1 1 350.724 4.235 20 0 FIADMM CCCCOc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cc1OC ZINC001626022440 1122116818 /nfs/dbraw/zinc/11/68/18/1122116818.db2.gz NRHMNRPZVOESDU-CYBMUJFWSA-N -1 1 361.413 4.210 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000055638598 1122259700 /nfs/dbraw/zinc/25/97/00/1122259700.db2.gz WWRACRSOHYZSEC-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM CC(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccs1 ZINC000497756492 1122389576 /nfs/dbraw/zinc/38/95/76/1122389576.db2.gz IIUCUEVRZRNFPM-CYBMUJFWSA-N -1 1 363.426 4.231 20 0 FIADMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(C)c1 ZINC000918399452 1122631422 /nfs/dbraw/zinc/63/14/22/1122631422.db2.gz ICAFSOZFPZAVLL-UHFFFAOYSA-N -1 1 354.859 4.023 20 0 FIADMM Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(-c2ccccc2Cl)n1 ZINC000129634932 1122653774 /nfs/dbraw/zinc/65/37/74/1122653774.db2.gz MEPPFSUHXKZULO-UHFFFAOYSA-N -1 1 362.216 4.352 20 0 FIADMM CCCCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000918568727 1122697394 /nfs/dbraw/zinc/69/73/94/1122697394.db2.gz CJOXHDPEBNIQRW-UHFFFAOYSA-N -1 1 360.479 4.396 20 0 FIADMM CCC(C)(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000498676841 1122941636 /nfs/dbraw/zinc/94/16/36/1122941636.db2.gz SZIZBSIPPRHCFR-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(-c2ccccc2)cc1 ZINC000132948546 1123388455 /nfs/dbraw/zinc/38/84/55/1123388455.db2.gz SXBGGIIKMQZGTM-UHFFFAOYSA-N -1 1 351.427 4.185 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1 ZINC000133046195 1123402594 /nfs/dbraw/zinc/40/25/94/1123402594.db2.gz WKTCDTSKRQFKGV-UHFFFAOYSA-N -1 1 372.446 4.240 20 0 FIADMM O=C(NCCc1ccc(N2CCCCC2)cc1)c1c([O-])cccc1Cl ZINC000920451786 1123459793 /nfs/dbraw/zinc/45/97/93/1123459793.db2.gz SFWCFEBRKMZIMP-UHFFFAOYSA-N -1 1 358.869 4.008 20 0 FIADMM Cc1nc(-c2ccc(CNC(=O)c3c([O-])cccc3Cl)s2)cs1 ZINC000920432524 1123461319 /nfs/dbraw/zinc/46/13/19/1123461319.db2.gz RGSHCLYUUCUECT-UHFFFAOYSA-N -1 1 364.879 4.469 20 0 FIADMM O=C(NCc1nc2cc(Cl)ccc2s1)c1c([O-])cccc1Cl ZINC000920470168 1123466040 /nfs/dbraw/zinc/46/60/40/1123466040.db2.gz ZTFYURSEQSUYRH-UHFFFAOYSA-N -1 1 353.230 4.239 20 0 FIADMM Cc1cnc(-c2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)nc1 ZINC000133637989 1123507379 /nfs/dbraw/zinc/50/73/79/1123507379.db2.gz GNFCXMGLGXMIET-UHFFFAOYSA-N -1 1 354.822 4.070 20 0 FIADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)c1 ZINC000077709394 1123708484 /nfs/dbraw/zinc/70/84/84/1123708484.db2.gz PBFMHEBYSBESEG-AWEZNQCLSA-N -1 1 374.506 4.059 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000135356768 1123742575 /nfs/dbraw/zinc/74/25/75/1123742575.db2.gz ZPGMHMNIVPXXMP-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1ccc2ccccc2c1 ZINC000135512458 1123769046 /nfs/dbraw/zinc/76/90/46/1123769046.db2.gz MROFUSKFHDLRGK-UHFFFAOYSA-N -1 1 373.384 4.455 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc(C)c1F ZINC000135511687 1123769070 /nfs/dbraw/zinc/76/90/70/1123769070.db2.gz HTWCQIFRDZRPLR-UHFFFAOYSA-N -1 1 369.368 4.057 20 0 FIADMM CCCCC[C@H](C)CC(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000175244686 1123787787 /nfs/dbraw/zinc/78/77/87/1123787787.db2.gz QHOSEWQMPWSTEC-NSHDSACASA-N -1 1 367.544 4.070 20 0 FIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ccc(Cl)o1 ZINC000081285636 1123993592 /nfs/dbraw/zinc/99/35/92/1123993592.db2.gz NCEVIJWBPYEAHR-UHFFFAOYSA-N -1 1 354.218 4.281 20 0 FIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C ZINC000615918011 1124162574 /nfs/dbraw/zinc/16/25/74/1124162574.db2.gz OUGRCNIZCLQGHY-UHFFFAOYSA-N -1 1 350.443 4.441 20 0 FIADMM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000672052447 1124244882 /nfs/dbraw/zinc/24/48/82/1124244882.db2.gz RFFXTOVJZKSIRM-SFHVURJKSA-N -1 1 363.816 4.082 20 0 FIADMM COc1cc(C(=O)N2C[C@H](C)CSc3ccccc32)cc(Cl)c1[O-] ZINC000616830197 1124379884 /nfs/dbraw/zinc/37/98/84/1124379884.db2.gz XYMFOLMEGNNZSO-NSHDSACASA-N -1 1 363.866 4.443 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](C)CSc3ccccc32)cc(Cl)c1[O-] ZINC000616830196 1124380347 /nfs/dbraw/zinc/38/03/47/1124380347.db2.gz XYMFOLMEGNNZSO-LLVKDONJSA-N -1 1 363.866 4.443 20 0 FIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C4CC4)c3)cc2)co1 ZINC000499502342 1124935438 /nfs/dbraw/zinc/93/54/38/1124935438.db2.gz BVPWKLQPMFBHSO-UHFFFAOYSA-N -1 1 372.421 4.467 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849291 1124957677 /nfs/dbraw/zinc/95/76/77/1124957677.db2.gz SSFFENMQBMJOON-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM CC(C)CCN1Cc2cccc(NC(=O)CC3(C(=O)[O-])CCCCC3)c2C1 ZINC000076393131 1124983163 /nfs/dbraw/zinc/98/31/63/1124983163.db2.gz ZOEUKQUQABKKNL-UHFFFAOYSA-N -1 1 372.509 4.412 20 0 FIADMM COC(=O)c1cc(Br)cc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486752 1125059117 /nfs/dbraw/zinc/05/91/17/1125059117.db2.gz XRZRSZYNXSNEGK-UHFFFAOYSA-N -1 1 374.593 4.477 20 0 FIADMM CO[C@H](CS(=O)(=O)[N-]c1cc(SC)ccc1Cl)c1ccccc1 ZINC000656633267 1125162047 /nfs/dbraw/zinc/16/20/47/1125162047.db2.gz ARNOGLLHXFJPCA-MRXNPFEDSA-N -1 1 371.911 4.191 20 0 FIADMM CC(=O)c1cc(Cl)cc(CN(Cc2ccco2)Cc2cccnc2)c1[O-] ZINC000182054789 1125227363 /nfs/dbraw/zinc/22/73/63/1125227363.db2.gz WMXCOQRUYXETBD-UHFFFAOYSA-N -1 1 370.836 4.439 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccccc1C(F)(F)F ZINC000016130029 220178350 /nfs/dbraw/zinc/17/83/50/220178350.db2.gz COWCZLFVHMWYOQ-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000016129357 220178675 /nfs/dbraw/zinc/17/86/75/220178675.db2.gz ZNQWGWWTRBGUTM-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c(Cl)c1 ZINC000022514157 220388484 /nfs/dbraw/zinc/38/84/84/220388484.db2.gz GLBGNIRAIDGBNU-UHFFFAOYSA-N -1 1 365.669 4.338 20 0 FIADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000067659721 221267715 /nfs/dbraw/zinc/26/77/15/221267715.db2.gz BSGFIMNTTPDFMS-UHFFFAOYSA-N -1 1 364.776 4.115 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1F ZINC000071977983 221393016 /nfs/dbraw/zinc/39/30/16/221393016.db2.gz BGXHAYODVBLYQS-UHFFFAOYSA-N -1 1 363.332 4.044 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000103290247 222331701 /nfs/dbraw/zinc/33/17/01/222331701.db2.gz VTPLTXZKMKTFBQ-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM Cc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c2ccccc2n1 ZINC000261438534 568024860 /nfs/dbraw/zinc/02/48/60/568024860.db2.gz ZAXSKYHOPYNUJN-UHFFFAOYSA-N -1 1 351.353 4.350 20 0 FIADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ncc3ccccc3c2[O-])s1 ZINC000669118743 568054577 /nfs/dbraw/zinc/05/45/77/568054577.db2.gz ZCAQKTBGALRIAN-GFCCVEGCSA-N -1 1 355.463 4.101 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000408241333 568150634 /nfs/dbraw/zinc/15/06/34/568150634.db2.gz IYLAQQCEJZPDGG-CQSZACIVSA-N -1 1 359.514 4.221 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000563125634 568254879 /nfs/dbraw/zinc/25/48/79/568254879.db2.gz PBRAYNBEYRODKT-KSSFIOAISA-N -1 1 358.507 4.476 20 0 FIADMM CN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C1CCC(C(C)(C)C)CC1 ZINC000737494964 600089083 /nfs/dbraw/zinc/08/90/83/600089083.db2.gz ASEUAHXHOGAQIT-UHFFFAOYSA-N -1 1 371.481 4.070 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2cc(-c3cccs3)on2)[n-]1 ZINC000261408813 1079554319 /nfs/dbraw/zinc/55/43/19/1079554319.db2.gz RDIKDNQTNSWHLH-UHFFFAOYSA-N -1 1 359.354 4.210 20 0 FIADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Br)c([O-])c2)s1 ZINC000153376720 1125782481 /nfs/dbraw/zinc/78/24/81/1125782481.db2.gz KAIMPGKPXGSYMX-SECBINFHSA-N -1 1 369.284 4.061 20 0 FIADMM COc1ccc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)cc1OC ZINC000109037508 1079966696 /nfs/dbraw/zinc/96/66/96/1079966696.db2.gz OZUQOCGZPXSYRH-UHFFFAOYSA-N -1 1 362.385 4.203 20 0 FIADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccccc3)cc1)OCO2 ZINC000510109105 1080049826 /nfs/dbraw/zinc/04/98/26/1080049826.db2.gz JDTNQRLTANALTH-UHFFFAOYSA-N -1 1 367.426 4.192 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2ccc3cccnc3n2)CC1 ZINC000655265803 1080119478 /nfs/dbraw/zinc/11/94/78/1080119478.db2.gz KNNWUSZVJCCXPY-UHFFFAOYSA-N -1 1 367.836 4.009 20 0 FIADMM CCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000471222921 1080390842 /nfs/dbraw/zinc/39/08/42/1080390842.db2.gz AKUBWAFXTHUUKZ-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1Cl ZINC000180286558 1080475671 /nfs/dbraw/zinc/47/56/71/1080475671.db2.gz MLZZZDTYHRJHIU-UHFFFAOYSA-N -1 1 351.642 4.151 20 0 FIADMM CCOc1cc(-c2nc(Cc3c(F)cccc3F)no2)cc(Cl)c1[O-] ZINC000443218424 1080558691 /nfs/dbraw/zinc/55/86/91/1080558691.db2.gz BENUBRONBYEQRQ-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM CN(CCCOc1ccc(F)cc1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000517750981 1080655919 /nfs/dbraw/zinc/65/59/19/1080655919.db2.gz ZCJYPVISKJVMPC-QGZVFWFLSA-N -1 1 369.795 4.145 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2coc(-c3ccccc3)n2)[n-]1 ZINC000109713604 1080657004 /nfs/dbraw/zinc/65/70/04/1080657004.db2.gz SAAYYYMGNBUWPU-UHFFFAOYSA-N -1 1 353.325 4.148 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])c(F)c2)cnn1-c1ccc(C)cc1 ZINC000683345884 1080694438 /nfs/dbraw/zinc/69/44/38/1080694438.db2.gz NKLPIKJRGHKDLO-UHFFFAOYSA-N -1 1 353.397 4.230 20 0 FIADMM O=C([N-]c1nnc(C(F)F)s1)c1oc2ccccc2c1Br ZINC001125324407 1080789129 /nfs/dbraw/zinc/78/91/29/1080789129.db2.gz CFOKLVLASYZDQV-UHFFFAOYSA-N -1 1 374.166 4.237 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2)c(C2CC2)cc1Cl ZINC000655601344 1081005744 /nfs/dbraw/zinc/00/57/44/1081005744.db2.gz JXMPVYRSWFZBHQ-UHFFFAOYSA-N -1 1 355.818 4.166 20 0 FIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000063442232 1081056999 /nfs/dbraw/zinc/05/69/99/1081056999.db2.gz PLSFLGWBXPZGOD-UHFFFAOYSA-N -1 1 371.458 4.056 20 0 FIADMM CCOc1cc(-c2noc(CCC(C)(C)C(C)=O)n2)cc(Cl)c1[O-] ZINC000683589360 1081178170 /nfs/dbraw/zinc/17/81/70/1081178170.db2.gz NUCQNBKIESCWLO-UHFFFAOYSA-N -1 1 352.818 4.042 20 0 FIADMM O=C(N[C@H](CCc1ccccc1)c1ccccn1)c1cccc([O-])c1F ZINC001648860813 1081322953 /nfs/dbraw/zinc/32/29/53/1081322953.db2.gz KQTIBOHQTZEQNT-GOSISDBHSA-N -1 1 350.393 4.030 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](c2cccnc2)C1 ZINC001648870552 1081332543 /nfs/dbraw/zinc/33/25/43/1081332543.db2.gz BMJSAQNZLNTQGU-AWEZNQCLSA-N -1 1 367.836 4.009 20 0 FIADMM COc1cccc(-c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2)c1 ZINC000580006301 1081387386 /nfs/dbraw/zinc/38/73/86/1081387386.db2.gz UPZIPYIWZPHWJR-UHFFFAOYSA-N -1 1 369.367 4.276 20 0 FIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1onc2ccccc21 ZINC001140217260 1081469262 /nfs/dbraw/zinc/46/92/62/1081469262.db2.gz HTVQYBKQXADJNE-UHFFFAOYSA-N -1 1 367.586 4.202 20 0 FIADMM O=C(CSCc1cc(-c2cccs2)on1)Nc1c([O-])cccc1F ZINC000610339667 1081495224 /nfs/dbraw/zinc/49/52/24/1081495224.db2.gz DVQRFJAHCWGDJW-UHFFFAOYSA-N -1 1 364.423 4.120 20 0 FIADMM [O-]c1c(Br)cc(Nc2nccs2)cc1Br ZINC001210992154 1081900298 /nfs/dbraw/zinc/90/02/98/1081900298.db2.gz YBLXPXJUHPTRDP-UHFFFAOYSA-N -1 1 350.035 4.117 20 0 FIADMM CCC[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000050207932 1081929861 /nfs/dbraw/zinc/92/98/61/1081929861.db2.gz ZHIDKFAZYXTYAI-MRXNPFEDSA-N -1 1 360.479 4.230 20 0 FIADMM COc1cc(C(=O)NC2(c3nc(C)cs3)CCCC2)cc(Cl)c1[O-] ZINC000153816802 1082167037 /nfs/dbraw/zinc/16/70/37/1082167037.db2.gz LAIAVJCAUYXQGW-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM COc1ccc(-c2nc(CSc3nc(C(F)F)cc(=O)[n-]3)co2)cc1 ZINC000580862136 1082196498 /nfs/dbraw/zinc/19/64/98/1082196498.db2.gz HPAUOMPNCDISMF-UHFFFAOYSA-N -1 1 365.361 4.076 20 0 FIADMM C=CC[C@H](C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000187527368 1082222104 /nfs/dbraw/zinc/22/21/04/1082222104.db2.gz KFCQFMGVDYKDII-ZDUSSCGKSA-N -1 1 363.244 4.114 20 0 FIADMM O=C(CSCc1cccnc1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167439715 1082241558 /nfs/dbraw/zinc/24/15/58/1082241558.db2.gz FRHNYVGBUPJVMY-UHFFFAOYSA-N -1 1 358.850 4.466 20 0 FIADMM Cn1c(=O)[nH]c2ccc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)cc21 ZINC001167440157 1082248918 /nfs/dbraw/zinc/24/89/18/1082248918.db2.gz RGMPIKFIAXQJQP-UHFFFAOYSA-N -1 1 367.792 4.043 20 0 FIADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cccc2[nH]c(=O)oc21 ZINC001167440922 1082262677 /nfs/dbraw/zinc/26/26/77/1082262677.db2.gz XRQPTHFXKVTYPL-UHFFFAOYSA-N -1 1 354.749 4.298 20 0 FIADMM CC[C@H](OCCSc1nc(=O)cc([O-])n1C1CCCC1)c1ccccc1 ZINC000650313152 1082503667 /nfs/dbraw/zinc/50/36/67/1082503667.db2.gz UPOBGSNDKDWGCM-KRWDZBQOSA-N -1 1 374.506 4.324 20 0 FIADMM CC[C@H](OCCSc1nc([O-])cc(=O)n1C1CCCC1)c1ccccc1 ZINC000650313152 1082503672 /nfs/dbraw/zinc/50/36/72/1082503672.db2.gz UPOBGSNDKDWGCM-KRWDZBQOSA-N -1 1 374.506 4.324 20 0 FIADMM CCC(CC)c1nnc([N-]C(=O)c2csc(-c3ccccn3)n2)s1 ZINC000146459392 1082605927 /nfs/dbraw/zinc/60/59/27/1082605927.db2.gz ROCRFXJRABHRAU-UHFFFAOYSA-N -1 1 359.480 4.213 20 0 FIADMM CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)F)ccc1F)C1CCCCC1 ZINC000656630748 1082646672 /nfs/dbraw/zinc/64/66/72/1082646672.db2.gz BMZDOJHTGVMCNG-OAHLLOKOSA-N -1 1 365.417 4.100 20 0 FIADMM O=C([O-])c1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000656759262 1082751906 /nfs/dbraw/zinc/75/19/06/1082751906.db2.gz AELXVXPXCNMJOB-UHFFFAOYSA-N -1 1 365.260 4.014 20 0 FIADMM O=C([O-])c1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000656760205 1082752911 /nfs/dbraw/zinc/75/29/11/1082752911.db2.gz RBULNJFRCBOHBS-UHFFFAOYSA-N -1 1 371.289 4.075 20 0 FIADMM CCN(C(=O)c1ncc2ccccc2c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000668493535 1082819123 /nfs/dbraw/zinc/81/91/23/1082819123.db2.gz RJJWXYVZSHJJML-HNNXBMFYSA-N -1 1 364.445 4.042 20 0 FIADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1nc2cc(F)c(F)cc2s1 ZINC001143397447 1082911999 /nfs/dbraw/zinc/91/19/99/1082911999.db2.gz RUEPHMRRJZXFHO-UHFFFAOYSA-N -1 1 354.765 4.115 20 0 FIADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000548280534 1082953809 /nfs/dbraw/zinc/95/38/09/1082953809.db2.gz NNCPIYLWTNWGBM-UHFFFAOYSA-N -1 1 370.478 4.115 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1 ZINC000054294041 1083103821 /nfs/dbraw/zinc/10/38/21/1083103821.db2.gz PPKUAXOLGGZENI-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647406881 1083479657 /nfs/dbraw/zinc/47/96/57/1083479657.db2.gz MNGFIODQKPBDJB-CYBMUJFWSA-N -1 1 351.324 4.167 20 0 FIADMM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1C1CC1 ZINC000535700368 1083587850 /nfs/dbraw/zinc/58/78/50/1083587850.db2.gz URTQDIFSXFBOCE-LBPRGKRZSA-N -1 1 365.437 4.080 20 0 FIADMM COc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000458104638 1083596951 /nfs/dbraw/zinc/59/69/51/1083596951.db2.gz WXFFVBAZAMOKAW-DOTOQJQBSA-N -1 1 359.853 4.463 20 0 FIADMM C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131750482 1083702789 /nfs/dbraw/zinc/70/27/89/1083702789.db2.gz IDOPFSLXVQKVCE-ZDUSSCGKSA-N -1 1 355.507 4.475 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1 ZINC000132159214 1083845870 /nfs/dbraw/zinc/84/58/70/1083845870.db2.gz XDINBKJXEGMBOW-UHFFFAOYSA-N -1 1 369.446 4.022 20 0 FIADMM CC1=C(c2ccco2)CN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000548933969 1083852457 /nfs/dbraw/zinc/85/24/57/1083852457.db2.gz WMBSRSFSUHEBAC-UHFFFAOYSA-N -1 1 362.223 4.067 20 0 FIADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000570150498 1083931935 /nfs/dbraw/zinc/93/19/35/1083931935.db2.gz LWQNCQUAJZAOLN-DUXPYHPUSA-N -1 1 364.426 4.239 20 0 FIADMM COc1ccccc1-c1nc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cs1 ZINC000068072019 1084035499 /nfs/dbraw/zinc/03/54/99/1084035499.db2.gz PPUPTKOPBLNINU-UHFFFAOYSA-N -1 1 374.491 4.220 20 0 FIADMM Cc1ccc2c(c1)CCN2C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000091103555 1084045904 /nfs/dbraw/zinc/04/59/04/1084045904.db2.gz ONFYJKAIOXFOON-UHFFFAOYSA-N -1 1 368.433 4.251 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c(C)c1C ZINC000570357989 1084062774 /nfs/dbraw/zinc/06/27/74/1084062774.db2.gz NOMRYYKJEWEUSY-UHFFFAOYSA-N -1 1 353.871 4.383 20 0 FIADMM O=C([O-])c1sccc1CN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000570403070 1084103063 /nfs/dbraw/zinc/10/30/63/1084103063.db2.gz HNIQUUXBKKHVEO-CYBMUJFWSA-N -1 1 351.855 4.143 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cccc(OC(F)(F)F)c1 ZINC000024243446 1084237004 /nfs/dbraw/zinc/23/70/04/1084237004.db2.gz OQCZEWNTSNDQJK-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)c2nccn21 ZINC000843601683 1084309494 /nfs/dbraw/zinc/30/94/94/1084309494.db2.gz JLKYPPDKZGPYPQ-KWQFWETISA-N -1 1 360.191 4.104 20 0 FIADMM Cc1nc(CNCc2ccc(Cl)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000277359038 1084311198 /nfs/dbraw/zinc/31/11/98/1084311198.db2.gz PSEDCNAKKSNRQU-UHFFFAOYSA-N -1 1 358.747 4.050 20 0 FIADMM CC[C@@H]1CCCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000121761432 1084491207 /nfs/dbraw/zinc/49/12/07/1084491207.db2.gz CDVFPAILDOCZGH-CHWSQXEVSA-N -1 1 364.540 4.144 20 0 FIADMM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(O)cc1[O-] ZINC000175565172 1084962427 /nfs/dbraw/zinc/96/24/27/1084962427.db2.gz RZMXIRKEIWDIRQ-UHFFFAOYSA-N -1 1 359.303 4.434 20 0 FIADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000175551455 1084965147 /nfs/dbraw/zinc/96/51/47/1084965147.db2.gz MTIBRXJKZMSIMQ-PTFIGZPYSA-N -1 1 367.470 4.116 20 0 FIADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684871505 1085002957 /nfs/dbraw/zinc/00/29/57/1085002957.db2.gz CNEKRQRGBRUTAT-NSHDSACASA-N -1 1 353.340 4.301 20 0 FIADMM COc1ccccc1CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684873607 1085009733 /nfs/dbraw/zinc/00/97/33/1085009733.db2.gz YBPQEYBARKOEHP-UHFFFAOYSA-N -1 1 365.351 4.224 20 0 FIADMM CC[C@@](C)(NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1nc(C)cs1 ZINC000684875783 1085012397 /nfs/dbraw/zinc/01/23/97/1085012397.db2.gz MCLNGZNAOMBZJL-OAHLLOKOSA-N -1 1 358.385 4.231 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](c2ccccc2)CO1 ZINC000684875746 1085012450 /nfs/dbraw/zinc/01/24/50/1085012450.db2.gz LEKUPGHDDDALCJ-MLGOLLRUSA-N -1 1 365.351 4.013 20 0 FIADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876514 1085018229 /nfs/dbraw/zinc/01/82/29/1085018229.db2.gz WOSZGXACJDFCEH-HNNXBMFYSA-N -1 1 352.356 4.117 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1 ZINC000511147365 1085096297 /nfs/dbraw/zinc/09/62/97/1085096297.db2.gz STBXFDSFBPSGTM-UHFFFAOYSA-N -1 1 355.406 4.386 20 0 FIADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000432200314 1085217773 /nfs/dbraw/zinc/21/77/73/1085217773.db2.gz BAHPGQWRAOFYSN-UHFFFAOYSA-N -1 1 363.479 4.026 20 0 FIADMM Cc1oc(C(=O)[O-])cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000582612975 1085244828 /nfs/dbraw/zinc/24/48/28/1085244828.db2.gz ZYRUTGBABRBBOJ-UHFFFAOYSA-N -1 1 361.825 4.035 20 0 FIADMM O=c1nc(CN2C[C@@H]3CCCC[C@@H]32)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000660929206 1085317083 /nfs/dbraw/zinc/31/70/83/1085317083.db2.gz AJKFOGAWDXAWGL-BBRMVZONSA-N -1 1 369.465 4.165 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000511180449 1085372404 /nfs/dbraw/zinc/37/24/04/1085372404.db2.gz AQAKPBSZZRNQTI-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CCc1nc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c(=O)c1C ZINC000563440621 1085413099 /nfs/dbraw/zinc/41/30/99/1085413099.db2.gz MWVQKNLOERKYOB-CQSZACIVSA-N -1 1 359.495 4.098 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000684989181 1085421050 /nfs/dbraw/zinc/42/10/50/1085421050.db2.gz KTYOFZNOYPLWCG-UHFFFAOYSA-N -1 1 351.780 4.286 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@H]2C2CCCC2)c([O-])c1 ZINC001648916982 1085438753 /nfs/dbraw/zinc/43/87/53/1085438753.db2.gz ANOIRQZIZMHSPU-PBHICJAKSA-N -1 1 374.481 4.295 20 0 FIADMM Cc1c2ccccc2oc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000078261949 1085666581 /nfs/dbraw/zinc/66/65/81/1085666581.db2.gz LVKODFLRAPRWCP-UHFFFAOYSA-N -1 1 360.417 4.115 20 0 FIADMM CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000511895187 1085770724 /nfs/dbraw/zinc/77/07/24/1085770724.db2.gz GULSPOPVBSEOKI-UHFFFAOYSA-N -1 1 352.438 4.173 20 0 FIADMM CN(Cc1c(F)cccc1F)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000511900345 1085885923 /nfs/dbraw/zinc/88/59/23/1085885923.db2.gz GCEMJRHLFAEREL-UHFFFAOYSA-N -1 1 362.763 4.144 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025529146 1085929605 /nfs/dbraw/zinc/92/96/05/1085929605.db2.gz RESJMHPPFSUCQJ-UHFFFAOYSA-N -1 1 360.388 4.364 20 0 FIADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000652496200 1086120558 /nfs/dbraw/zinc/12/05/58/1086120558.db2.gz NZHYIYRKJAMJIM-CQSZACIVSA-N -1 1 351.874 4.206 20 0 FIADMM C[C@@H]1CCC[C@@H]1CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253565348 1086247594 /nfs/dbraw/zinc/24/75/94/1086247594.db2.gz CCGFCCJDAOTHHW-BZPMIXESSA-N -1 1 369.490 4.278 20 0 FIADMM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc([O-])c(Cl)c1 ZINC000221616526 1086274442 /nfs/dbraw/zinc/27/44/42/1086274442.db2.gz SSAFBGSUAFMARX-GHXNOFRVSA-N -1 1 358.850 4.378 20 0 FIADMM C[C@H]1COCC[C@H]1c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000583242173 1086456876 /nfs/dbraw/zinc/45/68/76/1086456876.db2.gz DKXJXFRTIOCQHZ-XJKSGUPXSA-N -1 1 352.390 4.375 20 0 FIADMM O=C([O-])CCN(Cc1cccc(F)c1F)C[C@H]1CCC2(CCCCC2)O1 ZINC000583268520 1086497968 /nfs/dbraw/zinc/49/79/68/1086497968.db2.gz RDMKZMPGHLYABU-MRXNPFEDSA-N -1 1 367.436 4.123 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)c2ccco2)c1 ZINC000075429859 1086763692 /nfs/dbraw/zinc/76/36/92/1086763692.db2.gz IIYUQIOGCGXWCA-AWEZNQCLSA-N -1 1 370.478 4.119 20 0 FIADMM C[C@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000392980562 1086787584 /nfs/dbraw/zinc/78/75/84/1086787584.db2.gz WUFYBDWYYXUBSX-TVQRCGJNSA-N -1 1 369.305 4.267 20 0 FIADMM O=C([O-])c1ccc(OCCN2CCC[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000583569677 1086798978 /nfs/dbraw/zinc/79/89/78/1086798978.db2.gz IVINADXHLIODFG-KRWDZBQOSA-N -1 1 363.816 4.393 20 0 FIADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(C2CCC2)cc1 ZINC000279263311 1086900961 /nfs/dbraw/zinc/90/09/61/1086900961.db2.gz XQUGOMRBXLDCGD-UHFFFAOYSA-N -1 1 374.444 4.001 20 0 FIADMM C[C@@H]1CCc2onc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4)s3)c2C1 ZINC000433848598 1086901005 /nfs/dbraw/zinc/90/10/05/1086901005.db2.gz KVJKLHZOVAZSAN-SECBINFHSA-N -1 1 374.853 4.224 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1-c1ccc(C)cc1 ZINC000583732202 1086940354 /nfs/dbraw/zinc/94/03/54/1086940354.db2.gz SEPBRVUJZQGKCW-UHFFFAOYSA-N -1 1 350.353 4.051 20 0 FIADMM CC[C@@H]1c2ccsc2CCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000583817791 1086976738 /nfs/dbraw/zinc/97/67/38/1086976738.db2.gz BKWBESYBONXZJW-OAHLLOKOSA-N -1 1 365.882 4.488 20 0 FIADMM O=C([O-])c1ccc(Cl)c(CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000583999338 1087090712 /nfs/dbraw/zinc/09/07/12/1087090712.db2.gz FYMXYGSXSUWCNB-UHFFFAOYSA-N -1 1 363.816 4.221 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1OC(C)C ZINC000584075239 1087158945 /nfs/dbraw/zinc/15/89/45/1087158945.db2.gz XZRUKYYNOUYQCH-UHFFFAOYSA-N -1 1 371.405 4.221 20 0 FIADMM Cc1ccccc1[C@H](C)c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000685335801 1087535742 /nfs/dbraw/zinc/53/57/42/1087535742.db2.gz VHNMDDPTDCTOGP-AWEZNQCLSA-N -1 1 358.401 4.151 20 0 FIADMM Cn1c2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2nc1C(C)(C)C ZINC000685456655 1087572747 /nfs/dbraw/zinc/57/27/47/1087572747.db2.gz VLOGIWZSGGKNMW-UHFFFAOYSA-N -1 1 359.376 4.107 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000612058646 1087727594 /nfs/dbraw/zinc/72/75/94/1087727594.db2.gz ASDODBCAEYVQEJ-UHFFFAOYSA-N -1 1 370.518 4.357 20 0 FIADMM CC(C)c1ccc(-c2noc(CN3CCCC[C@H]3CCC(=O)[O-])n2)cc1 ZINC000424252387 1087873392 /nfs/dbraw/zinc/87/33/92/1087873392.db2.gz DIINACUEBCNTCR-KRWDZBQOSA-N -1 1 357.454 4.079 20 0 FIADMM CCOc1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc(Cl)c1[O-] ZINC000186727864 1087973260 /nfs/dbraw/zinc/97/32/60/1087973260.db2.gz LLYKLXASWXDRSN-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM CCOc1cc(C(=O)NCCCc2c[nH]c3ccccc23)cc(Cl)c1[O-] ZINC000186792904 1087990521 /nfs/dbraw/zinc/99/05/21/1087990521.db2.gz MEXYLMSUZSZFMX-UHFFFAOYSA-N -1 1 372.852 4.288 20 0 FIADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2cccc(C)n2)cc(Cl)c1[O-] ZINC000186874669 1088032716 /nfs/dbraw/zinc/03/27/16/1088032716.db2.gz KEIHIUOHULNMIE-MRXNPFEDSA-N -1 1 360.841 4.125 20 0 FIADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1occc1Br ZINC000177167703 1088225811 /nfs/dbraw/zinc/22/58/11/1088225811.db2.gz LIQWLQLYIUGSRR-UHFFFAOYSA-N -1 1 370.272 4.269 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505319491 1088350611 /nfs/dbraw/zinc/35/06/11/1088350611.db2.gz YVDRNIIUNJQIOK-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([O-])cc4F)CC3)c2c1 ZINC000181173453 1088784087 /nfs/dbraw/zinc/78/40/87/1088784087.db2.gz WEXSMZADTVWMMA-UHFFFAOYSA-N -1 1 368.408 4.041 20 0 FIADMM CCc1cc(=O)c2cc(NC(=O)c3cc4ccccc4cc3[O-])ccc2[nH]1 ZINC000180974000 1088784232 /nfs/dbraw/zinc/78/42/32/1088784232.db2.gz NWFQVWUTKHDBQY-UHFFFAOYSA-N -1 1 358.397 4.202 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1cccc(F)c1 ZINC000182167461 1088901086 /nfs/dbraw/zinc/90/10/86/1088901086.db2.gz GMZRREVMHVTSJP-UHFFFAOYSA-N -1 1 357.360 4.061 20 0 FIADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(-c2cccnc2)cc1 ZINC000377063315 1088994168 /nfs/dbraw/zinc/99/41/68/1088994168.db2.gz WJOMMTXGQOVWDD-GFCCVEGCSA-N -1 1 354.356 4.223 20 0 FIADMM Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC000377168412 1089033336 /nfs/dbraw/zinc/03/33/36/1089033336.db2.gz LNNREELASHJIAL-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM CC(C)c1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nn1C(C)(C)C ZINC000613668300 1089266382 /nfs/dbraw/zinc/26/63/82/1089266382.db2.gz FJGMUBGTJCVLMV-UHFFFAOYSA-N -1 1 367.453 4.110 20 0 FIADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613668268 1089271788 /nfs/dbraw/zinc/27/17/88/1089271788.db2.gz BQQCRADXFWYNGJ-LBPRGKRZSA-N -1 1 371.824 4.150 20 0 FIADMM CCOc1cc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)cc(Br)c1[O-] ZINC000514773358 1089456228 /nfs/dbraw/zinc/45/62/28/1089456228.db2.gz VXFHKCBLEBAVOX-MNOVXSKESA-N -1 1 365.227 4.117 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(F)c1 ZINC000435473135 1089686902 /nfs/dbraw/zinc/68/69/02/1089686902.db2.gz HQPLOURVYIXWDG-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1F)c1c(Cl)cc(F)cc1Cl ZINC000435501126 1089719152 /nfs/dbraw/zinc/71/91/52/1089719152.db2.gz JTOSDVQGHIXNHZ-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM CCOc1ccc(-c2nc(CSc3nc(CC)c(C)c(=O)[n-]3)co2)cc1 ZINC000584541077 1089897371 /nfs/dbraw/zinc/89/73/71/1089897371.db2.gz VJXLNUHCXCHKOR-UHFFFAOYSA-N -1 1 371.462 4.399 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1ccccc1F ZINC000216138236 1090044691 /nfs/dbraw/zinc/04/46/91/1090044691.db2.gz PRWPBZPCQMCLTK-UHFFFAOYSA-N -1 1 353.724 4.299 20 0 FIADMM CN(Cc1ccccc1Cl)C(=O)c1ccc(Br)c([O-])c1 ZINC000228315528 1090331945 /nfs/dbraw/zinc/33/19/45/1090331945.db2.gz HMIFYDRJKGGOFE-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM O=C(c1[n-]cnc1C(=O)N1CC2(CCCC2)c2ccccc21)c1ccccc1 ZINC000431864955 1090338203 /nfs/dbraw/zinc/33/82/03/1090338203.db2.gz MDVAFKGLHICZAF-UHFFFAOYSA-N -1 1 371.440 4.113 20 0 FIADMM CSCc1cccc(-c2cccc(-n3[nH]c(C)c(CC(=O)[O-])c3=O)c2)c1 ZINC000584666543 1090678723 /nfs/dbraw/zinc/67/87/23/1090678723.db2.gz YRBDAMDOAPEBBK-SFHVURJKSA-N -1 1 368.458 4.030 20 0 FIADMM O=C([O-])C[C@@H](NCc1cnc(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000417555485 1090923642 /nfs/dbraw/zinc/92/36/42/1090923642.db2.gz LZJBZLHQNQEPSI-LLVKDONJSA-N -1 1 364.776 4.121 20 0 FIADMM COc1ccc2oc(CN[C@@H](CCSc3ccccc3)C(=O)[O-])cc2c1 ZINC000417619006 1090940169 /nfs/dbraw/zinc/94/01/69/1090940169.db2.gz KISDTESYHAHGKJ-SFHVURJKSA-N -1 1 371.458 4.167 20 0 FIADMM O=C([O-])[C@H]1C[C@@H](NCc2c(F)cccc2OC(F)(F)F)c2ccccc21 ZINC000417636017 1090946843 /nfs/dbraw/zinc/94/68/43/1090946843.db2.gz XAHJUZKIQCOSSI-SWLSCSKDSA-N -1 1 369.314 4.127 20 0 FIADMM O=C([O-])c1c(F)cc(CNCc2ccccc2OC2CCCC2)cc1F ZINC000417648190 1090949910 /nfs/dbraw/zinc/94/99/10/1090949910.db2.gz NOTPHHAXEZEEKB-UHFFFAOYSA-N -1 1 361.388 4.274 20 0 FIADMM O=C([O-])c1c(F)cc(CNCc2cnc(C3CCCC3)s2)cc1F ZINC000417648934 1090950033 /nfs/dbraw/zinc/95/00/33/1090950033.db2.gz PXFYGZCEWOWFHI-UHFFFAOYSA-N -1 1 352.406 4.067 20 0 FIADMM C[C@H]1CCc2nc(CN[C@H](C(=O)[O-])C(C3CCC3)C3CCC3)sc2C1 ZINC000417644810 1090953242 /nfs/dbraw/zinc/95/32/42/1090953242.db2.gz CGGIPYXCIJCZEK-BUXKBTBVSA-N -1 1 362.539 4.027 20 0 FIADMM Cc1ccc(C[C@@H](NCc2cc3cc(C)c(C)cc3o2)C(=O)[O-])cc1C ZINC000417660078 1090956996 /nfs/dbraw/zinc/95/69/96/1090956996.db2.gz ZQGHUNNRUOWGKK-HXUWFJFHSA-N -1 1 351.446 4.452 20 0 FIADMM O=C([O-])c1ccc(CNCc2ccc(Cl)c(Cl)c2)nc1C1CC1 ZINC000417698599 1090964529 /nfs/dbraw/zinc/96/45/29/1090964529.db2.gz GRXOAASJBQJFOG-UHFFFAOYSA-N -1 1 351.233 4.254 20 0 FIADMM O=S(=O)([N-]c1ccccc1Cl)c1cc(Br)ccc1F ZINC000500315531 1091269393 /nfs/dbraw/zinc/26/93/93/1091269393.db2.gz LUOWYGXRURFWSH-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM O=C([N-][C@@H](c1ccccc1)c1ccc(Br)cc1F)C(F)F ZINC000194329320 1091372655 /nfs/dbraw/zinc/37/26/55/1091372655.db2.gz DFVNICFHOYHISP-ZDUSSCGKSA-N -1 1 358.157 4.059 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1OCC ZINC000780366039 1091475236 /nfs/dbraw/zinc/47/52/36/1091475236.db2.gz IHRISIFUCGHLES-UHFFFAOYSA-N -1 1 371.405 4.222 20 0 FIADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000511710632 1091555359 /nfs/dbraw/zinc/55/53/59/1091555359.db2.gz UWNYPHTYZBUDEZ-ZDUSSCGKSA-N -1 1 374.437 4.352 20 0 FIADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1C[C@@H]1CCCOC1 ZINC000626228139 1091733722 /nfs/dbraw/zinc/73/37/22/1091733722.db2.gz ZOBJDERWVOJMDG-AWEZNQCLSA-N -1 1 362.857 4.143 20 0 FIADMM COC(=O)c1cnc(S[C@@H](c2ccccc2)c2ccc(F)c(F)c2)[n-]1 ZINC000432669552 1092045225 /nfs/dbraw/zinc/04/52/25/1092045225.db2.gz LENYLHZNCVEJAC-INIZCTEOSA-N -1 1 360.385 4.356 20 0 FIADMM COC(=O)c1c[n-]c(S[C@@H](c2ccccc2)c2ccc(F)c(F)c2)n1 ZINC000432669552 1092045236 /nfs/dbraw/zinc/04/52/36/1092045236.db2.gz LENYLHZNCVEJAC-INIZCTEOSA-N -1 1 360.385 4.356 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c2ccccc12 ZINC000182359788 1092147380 /nfs/dbraw/zinc/14/73/80/1092147380.db2.gz JSSLIPLPWMEAHI-UHFFFAOYSA-N -1 1 372.421 4.047 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C(C)C ZINC000432765443 1092292982 /nfs/dbraw/zinc/29/29/82/1092292982.db2.gz YVLROMVTTUSSPA-UHFFFAOYSA-N -1 1 358.463 4.409 20 0 FIADMM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl ZINC000521153543 1092532727 /nfs/dbraw/zinc/53/27/27/1092532727.db2.gz DGLSRHQBGXTIBX-UHFFFAOYSA-N -1 1 374.673 4.326 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)cc1 ZINC000500824742 1092607722 /nfs/dbraw/zinc/60/77/22/1092607722.db2.gz UZYOPIHOLBZELZ-UHFFFAOYSA-N -1 1 350.509 4.054 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000521275835 1092616136 /nfs/dbraw/zinc/61/61/36/1092616136.db2.gz NUYOBZOSGXBFDX-QGZVFWFLSA-N -1 1 353.315 4.122 20 0 FIADMM Cc1cccc([C@@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1C ZINC000426724806 1092620136 /nfs/dbraw/zinc/62/01/36/1092620136.db2.gz VYHHMYPZPWQMOE-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM Cc1ccccc1C1(C(=O)NCc2n[n-]c(=S)n2C2CC2)CCCCC1 ZINC000067070627 1092703499 /nfs/dbraw/zinc/70/34/99/1092703499.db2.gz ICBHFIVXMMXEPI-UHFFFAOYSA-N -1 1 370.522 4.102 20 0 FIADMM CCCN(CC(=O)[O-])Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000521634600 1092808583 /nfs/dbraw/zinc/80/85/83/1092808583.db2.gz QCIAECXAMJLJHZ-UHFFFAOYSA-N -1 1 372.412 4.434 20 0 FIADMM COc1cc(C(=O)Nc2ccc(OC3CCCC3)nc2)cc(Cl)c1[O-] ZINC000442949688 1092868917 /nfs/dbraw/zinc/86/89/17/1092868917.db2.gz BVTJRTBGXMAEJC-UHFFFAOYSA-N -1 1 362.813 4.023 20 0 FIADMM COc1cc(C(=O)N[C@H]2CCc3c2cccc3Cl)cc(Cl)c1[O-] ZINC000442941576 1092877201 /nfs/dbraw/zinc/87/72/01/1092877201.db2.gz IJWLEFAJUMMNGR-AWEZNQCLSA-N -1 1 352.217 4.125 20 0 FIADMM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442961065 1092889170 /nfs/dbraw/zinc/88/91/70/1092889170.db2.gz BXRLVGISXILOIL-OAHLLOKOSA-N -1 1 361.825 4.040 20 0 FIADMM COc1cc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc(Cl)c1[O-] ZINC000443046333 1092915975 /nfs/dbraw/zinc/91/59/75/1092915975.db2.gz FUZMLEKZDXBHPK-UHFFFAOYSA-N -1 1 373.787 4.097 20 0 FIADMM COc1cc(C(=O)Nc2cc(C3CCCCC3)nn2C)cc(Cl)c1[O-] ZINC000443070306 1092927555 /nfs/dbraw/zinc/92/75/55/1092927555.db2.gz YXSKVQUMZHMPAS-UHFFFAOYSA-N -1 1 363.845 4.088 20 0 FIADMM COc1cc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cc(Cl)c1[O-] ZINC000443105637 1092943896 /nfs/dbraw/zinc/94/38/96/1092943896.db2.gz CDPQBAZXMPUERH-NSHDSACASA-N -1 1 353.768 4.151 20 0 FIADMM Cc1ccc([C@]2(C)CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000432941306 1092975925 /nfs/dbraw/zinc/97/59/25/1092975925.db2.gz XZEYNOJDQRYSQN-HSZRJFAPSA-N -1 1 374.488 4.337 20 0 FIADMM Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2cncc([O-])c2)s1 ZINC000522051472 1093049407 /nfs/dbraw/zinc/04/94/07/1093049407.db2.gz YWEBZSPBLOLCEF-UHFFFAOYSA-N -1 1 359.838 4.049 20 0 FIADMM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1cc(Cl)sc1Cl ZINC000522054912 1093060701 /nfs/dbraw/zinc/06/07/01/1093060701.db2.gz UALMQZBPIKUUFR-JTQLQIEISA-N -1 1 362.303 4.063 20 0 FIADMM CCc1c(C)[n-]n(-c2ncnc3scc(-c4ccc(OC)cc4)c32)c1=O ZINC000614186012 1093092611 /nfs/dbraw/zinc/09/26/11/1093092611.db2.gz UGZLTCIFFHEJMU-AWEZNQCLSA-N -1 1 366.446 4.116 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000443403242 1093105889 /nfs/dbraw/zinc/10/58/89/1093105889.db2.gz OEDCMMPHAULIRK-UHFFFAOYSA-N -1 1 361.463 4.115 20 0 FIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4cc[nH]c4c3)c2)n1 ZINC000443406019 1093108484 /nfs/dbraw/zinc/10/84/84/1093108484.db2.gz LDDIFCGZTSXBHR-UHFFFAOYSA-N -1 1 369.471 4.401 20 0 FIADMM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001211797388 1093342603 /nfs/dbraw/zinc/34/26/03/1093342603.db2.gz XVCACMPUHNMOID-UWVGGRQHSA-N -1 1 369.836 4.462 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000433515119 1093855682 /nfs/dbraw/zinc/85/56/82/1093855682.db2.gz AWAABGJLSILMKF-UHFFFAOYSA-N -1 1 352.459 4.420 20 0 FIADMM Cc1nc(-c2ccc(N3CCc4ccccc4C(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000664195572 1094162066 /nfs/dbraw/zinc/16/20/66/1094162066.db2.gz FGKZKLZAQLXODB-UHFFFAOYSA-N -1 1 374.488 4.201 20 0 FIADMM C[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1C ZINC000501813814 1094953119 /nfs/dbraw/zinc/95/31/19/1094953119.db2.gz FGISCKAQBPDLPS-QWHCGFSZSA-N -1 1 371.481 4.269 20 0 FIADMM CCC(F)(F)C(C)(C)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001648968272 1094975435 /nfs/dbraw/zinc/97/54/35/1094975435.db2.gz MVAXITLZIJQHJL-UHFFFAOYSA-N -1 1 356.800 4.395 20 0 FIADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000502433754 1095476962 /nfs/dbraw/zinc/47/69/62/1095476962.db2.gz YCISYAMEDIHUIL-UHFFFAOYSA-N -1 1 363.389 4.124 20 0 FIADMM CN(Cc1ccccc1Br)C(=O)c1ccc(Cl)cc1[O-] ZINC000042254909 1095949689 /nfs/dbraw/zinc/94/96/89/1095949689.db2.gz FASQMWYZKVRKRW-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM O=S(=O)([N-]c1c(O)cccc1Cl)c1cccc(Cl)c1Cl ZINC000647919175 1096144633 /nfs/dbraw/zinc/14/46/33/1096144633.db2.gz PVRGFOALWWKYQP-UHFFFAOYSA-N -1 1 352.626 4.153 20 0 FIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1 ZINC000272414761 1096180051 /nfs/dbraw/zinc/18/00/51/1096180051.db2.gz GZNZJMQWFVMDKK-UHFFFAOYSA-N -1 1 373.425 4.026 20 0 FIADMM Cc1cccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[n-]c(=O)c12 ZINC000503468150 1096419032 /nfs/dbraw/zinc/41/90/32/1096419032.db2.gz SFECQNKZVFJOFL-UHFFFAOYSA-N -1 1 352.397 4.442 20 0 FIADMM FC(F)c1nnc([N-][C@@H]2CSCc3ccc(Br)cc32)o1 ZINC000664362102 1096752574 /nfs/dbraw/zinc/75/25/74/1096752574.db2.gz IAQHPGLWQJXYRI-SECBINFHSA-N -1 1 362.199 4.170 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cnc(-c2ccco2)s1 ZINC000504408932 1096771062 /nfs/dbraw/zinc/77/10/62/1096771062.db2.gz WWCPOGSAHFGLRY-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM COC(=O)CCSc1ccc(-c2nc3scc(C)c3c(=O)[n-]2)cc1 ZINC000504474215 1096786200 /nfs/dbraw/zinc/78/62/00/1096786200.db2.gz SQGDUSCPLWXEBK-UHFFFAOYSA-N -1 1 360.460 4.028 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000436013302 1098635410 /nfs/dbraw/zinc/63/54/10/1098635410.db2.gz BLAIFXYGHFQAEU-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM Cc1nnc([N-]C(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)s1 ZINC000436118699 1098745383 /nfs/dbraw/zinc/74/53/83/1098745383.db2.gz AKQLQGFISJIXQM-UHFFFAOYSA-N -1 1 369.233 4.369 20 0 FIADMM COc1cc(C(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000505760353 1098757206 /nfs/dbraw/zinc/75/72/06/1098757206.db2.gz QFLZELQRQTVUFK-MGNBDDOMSA-N -1 1 366.244 4.373 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1cc(Cl)cc(Cl)c1 ZINC000515632128 1098778571 /nfs/dbraw/zinc/77/85/71/1098778571.db2.gz JVHVBNFRBARQST-UHFFFAOYSA-N -1 1 368.188 4.396 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c(C)c1F ZINC000436168932 1098786812 /nfs/dbraw/zinc/78/68/12/1098786812.db2.gz YYCBTMKCODHKAI-UHFFFAOYSA-N -1 1 359.369 4.055 20 0 FIADMM CCc1sc(-c2nnc(CSc3nc(C4CC4)cc(=O)[n-]3)o2)cc1C ZINC000436248523 1098854010 /nfs/dbraw/zinc/85/40/10/1098854010.db2.gz SXVDERRVMBAFOI-UHFFFAOYSA-N -1 1 374.491 4.334 20 0 FIADMM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000515695777 1098859427 /nfs/dbraw/zinc/85/94/27/1098859427.db2.gz JSLJGFXJKCKWGD-UHFFFAOYSA-N -1 1 361.797 4.208 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1C ZINC000515696836 1098860154 /nfs/dbraw/zinc/86/01/54/1098860154.db2.gz CUTKLYVBYUISJM-UHFFFAOYSA-N -1 1 374.462 4.377 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000515752046 1098908883 /nfs/dbraw/zinc/90/88/83/1098908883.db2.gz OIGOQINGUFUNSD-CQSZACIVSA-N -1 1 363.788 4.230 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(N2CCc3ccccc32)CC1 ZINC000436489516 1099065509 /nfs/dbraw/zinc/06/55/09/1099065509.db2.gz OKZALRRQKZBIJB-UHFFFAOYSA-N -1 1 372.468 4.213 20 0 FIADMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc2ccccc2c1[O-] ZINC000436510947 1099070367 /nfs/dbraw/zinc/07/03/67/1099070367.db2.gz FTIVDLRAJGYRQV-GOSISDBHSA-N -1 1 363.413 4.356 20 0 FIADMM CCCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436519584 1099076385 /nfs/dbraw/zinc/07/63/85/1099076385.db2.gz YJUCPOFAYGZWTP-AWEZNQCLSA-N -1 1 374.868 4.315 20 0 FIADMM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc(F)ccc1[O-] ZINC000436524558 1099082254 /nfs/dbraw/zinc/08/22/54/1099082254.db2.gz ACPOSCIKNIAANV-UHFFFAOYSA-N -1 1 374.387 4.442 20 0 FIADMM O=C(NCc1ccccc1Sc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436518174 1099092916 /nfs/dbraw/zinc/09/29/16/1099092916.db2.gz XPAJTWXKKDOUMB-UHFFFAOYSA-N -1 1 363.438 4.043 20 0 FIADMM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436556631 1099101863 /nfs/dbraw/zinc/10/18/63/1099101863.db2.gz OQQIZAHWRQAWQD-UHFFFAOYSA-N -1 1 370.424 4.155 20 0 FIADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436536030 1099102836 /nfs/dbraw/zinc/10/28/36/1099102836.db2.gz BWCHCGORKYTBTJ-SFHVURJKSA-N -1 1 361.441 4.401 20 0 FIADMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1[O-] ZINC000436540151 1099105881 /nfs/dbraw/zinc/10/58/81/1099105881.db2.gz QIOHTASZYZAQDH-MRXNPFEDSA-N -1 1 357.797 4.026 20 0 FIADMM CC1CCC(OC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)CC1 ZINC000436558828 1099113175 /nfs/dbraw/zinc/11/31/75/1099113175.db2.gz ZOOQRFJFMGJXAG-UHFFFAOYSA-N -1 1 351.874 4.246 20 0 FIADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436558586 1099113707 /nfs/dbraw/zinc/11/37/07/1099113707.db2.gz QHQWNSPBCSOXGT-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000436590532 1099137537 /nfs/dbraw/zinc/13/75/37/1099137537.db2.gz NKUOMBJNLGFMMH-HNNXBMFYSA-N -1 1 359.853 4.149 20 0 FIADMM Cc1nc(NC(=O)c2ccc([O-])cc2F)sc1Cc1ccc(F)cc1 ZINC000436604754 1099140068 /nfs/dbraw/zinc/14/00/68/1099140068.db2.gz OKPDUDQGYIBZTB-UHFFFAOYSA-N -1 1 360.385 4.278 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000436610275 1099143709 /nfs/dbraw/zinc/14/37/09/1099143709.db2.gz UCRZMHHUXLPHOJ-VSKRKVRLSA-N -1 1 373.452 4.190 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000436609448 1099144289 /nfs/dbraw/zinc/14/42/89/1099144289.db2.gz LNPZETJDBRGYMC-BHIFYINESA-N -1 1 373.452 4.190 20 0 FIADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436625462 1099154198 /nfs/dbraw/zinc/15/41/98/1099154198.db2.gz OUKAKSQMMNDODW-ZDUSSCGKSA-N -1 1 360.251 4.093 20 0 FIADMM CN(CCc1cccc(Br)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436639272 1099180827 /nfs/dbraw/zinc/18/08/27/1099180827.db2.gz CALPQOMVOYGKTC-UHFFFAOYSA-N -1 1 368.658 4.123 20 0 FIADMM O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436675134 1099205688 /nfs/dbraw/zinc/20/56/88/1099205688.db2.gz URDPIIWGJQHMJO-QGZVFWFLSA-N -1 1 371.845 4.196 20 0 FIADMM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc([O-])cc1F ZINC000436721904 1099253531 /nfs/dbraw/zinc/25/35/31/1099253531.db2.gz ZAHRXVSQCWUWNN-MRXNPFEDSA-N -1 1 353.315 4.431 20 0 FIADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc(Br)cc1[O-] ZINC000436735262 1099257316 /nfs/dbraw/zinc/25/73/16/1099257316.db2.gz MDTIEDNVFJSUBT-ZDUSSCGKSA-N -1 1 364.264 4.122 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436728093 1099266136 /nfs/dbraw/zinc/26/61/36/1099266136.db2.gz HQMMVZRKNHETJO-QGZVFWFLSA-N -1 1 355.743 4.035 20 0 FIADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000436727802 1099266280 /nfs/dbraw/zinc/26/62/80/1099266280.db2.gz CONCXINKKQIWEE-ZDUSSCGKSA-N -1 1 352.365 4.210 20 0 FIADMM CCN(C(=O)c1ccc2ccccc2c1[O-])c1ccc(OC)c(OC)c1 ZINC000436759272 1099274883 /nfs/dbraw/zinc/27/48/83/1099274883.db2.gz VXCPPXYNAHJLSS-UHFFFAOYSA-N -1 1 351.402 4.229 20 0 FIADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436760369 1099277343 /nfs/dbraw/zinc/27/73/43/1099277343.db2.gz OWCAPONRAIPRNM-SECBINFHSA-N -1 1 370.193 4.266 20 0 FIADMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436748076 1099281297 /nfs/dbraw/zinc/28/12/97/1099281297.db2.gz DIKJMCRUDZXYFZ-MRXNPFEDSA-N -1 1 363.841 4.286 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000436749911 1099283639 /nfs/dbraw/zinc/28/36/39/1099283639.db2.gz CREVSUBWNSDOPD-UHFFFAOYSA-N -1 1 360.335 4.091 20 0 FIADMM O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc2ccccc2cc1[O-] ZINC000436754310 1099289450 /nfs/dbraw/zinc/28/94/50/1099289450.db2.gz HXWAJKOYNBJKOR-UHFFFAOYSA-N -1 1 355.777 4.222 20 0 FIADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436754942 1099289798 /nfs/dbraw/zinc/28/97/98/1099289798.db2.gz JGMQZPQYFOTLDH-UHFFFAOYSA-N -1 1 362.429 4.070 20 0 FIADMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc2ccccc2c1[O-] ZINC000436756688 1099291408 /nfs/dbraw/zinc/29/14/08/1099291408.db2.gz SPIRXPUGWZKWGC-OAQYLSRUSA-N -1 1 354.409 4.460 20 0 FIADMM O=C(NCc1coc(-c2cccs2)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436767960 1099308778 /nfs/dbraw/zinc/30/87/78/1099308778.db2.gz VLPLMSCOMMRQJM-UHFFFAOYSA-N -1 1 368.336 4.058 20 0 FIADMM CN(CCOc1ccccc1Cl)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436766825 1099309013 /nfs/dbraw/zinc/30/90/13/1099309013.db2.gz TZDJRVHRNIDNBU-UHFFFAOYSA-N -1 1 373.758 4.215 20 0 FIADMM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(C(F)(F)F)cc1[O-] ZINC000436795876 1099327194 /nfs/dbraw/zinc/32/71/94/1099327194.db2.gz SAFZTHMAIVDYQQ-UHFFFAOYSA-N -1 1 373.714 4.088 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1noc(-c2ccccc2)n1 ZINC000436818241 1099330412 /nfs/dbraw/zinc/33/04/12/1099330412.db2.gz JXAATASMLGYXFB-ZDUSSCGKSA-N -1 1 359.385 4.086 20 0 FIADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(Br)ccc1[O-] ZINC000436808337 1099335758 /nfs/dbraw/zinc/33/57/58/1099335758.db2.gz OPIRKVNYHUJNSK-QMMMGPOBSA-N -1 1 354.166 4.006 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccc(Br)s1 ZINC000436835327 1099345387 /nfs/dbraw/zinc/34/53/87/1099345387.db2.gz CZEBOSOISXGOFF-NSHDSACASA-N -1 1 370.243 4.333 20 0 FIADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000436869794 1099380292 /nfs/dbraw/zinc/38/02/92/1099380292.db2.gz BSCKDGBCFXFTGA-UHFFFAOYSA-N -1 1 359.731 4.216 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(Cc4ccccc4)[nH]n3)n2)c(Cl)c1 ZINC000436871262 1099381599 /nfs/dbraw/zinc/38/15/99/1099381599.db2.gz JREPFVSGOSBPDX-UHFFFAOYSA-N -1 1 352.781 4.077 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000629371921 1099384196 /nfs/dbraw/zinc/38/41/96/1099384196.db2.gz ADUYLIQKWMJYRH-NFAWXSAZSA-N -1 1 372.690 4.178 20 0 FIADMM Cc1ccc(-n2ccnc2)c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436871377 1099384452 /nfs/dbraw/zinc/38/44/52/1099384452.db2.gz SCZQDNBBUAYECV-UHFFFAOYSA-N -1 1 352.781 4.257 20 0 FIADMM COc1ccc(-c2ocnc2-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000436873328 1099384601 /nfs/dbraw/zinc/38/46/01/1099384601.db2.gz PEGGTWGGJQHSLR-UHFFFAOYSA-N -1 1 369.764 4.426 20 0 FIADMM CCOc1nc(C(F)(F)F)ccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436877746 1099394194 /nfs/dbraw/zinc/39/41/94/1099394194.db2.gz HGPYJLPGBPRWEJ-UHFFFAOYSA-N -1 1 369.274 4.061 20 0 FIADMM Cc1ccccc1C(NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1C ZINC000436889033 1099406022 /nfs/dbraw/zinc/40/60/22/1099406022.db2.gz AELWGLUBGCCQPO-UHFFFAOYSA-N -1 1 359.425 4.098 20 0 FIADMM CCn1nc(C(C)C)cc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000436890460 1099409588 /nfs/dbraw/zinc/40/95/88/1099409588.db2.gz BPUHPWQABWQPKS-UHFFFAOYSA-N -1 1 366.259 4.055 20 0 FIADMM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cc(Br)ccc1[O-] ZINC000436914313 1099413021 /nfs/dbraw/zinc/41/30/21/1099413021.db2.gz YUKLNPKOYLSJRY-UHFFFAOYSA-N -1 1 372.222 4.106 20 0 FIADMM CCC[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1 ZINC000436917062 1099432908 /nfs/dbraw/zinc/43/29/08/1099432908.db2.gz YJMOZCSWIACQOT-AWEZNQCLSA-N -1 1 370.840 4.353 20 0 FIADMM CCC[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccccc1 ZINC000436917062 1099432912 /nfs/dbraw/zinc/43/29/12/1099432912.db2.gz YJMOZCSWIACQOT-AWEZNQCLSA-N -1 1 370.840 4.353 20 0 FIADMM CCCCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000516413566 1099458710 /nfs/dbraw/zinc/45/87/10/1099458710.db2.gz WZCWYNHLQIDXIB-UHFFFAOYSA-N -1 1 355.406 4.253 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000436978771 1099484447 /nfs/dbraw/zinc/48/44/47/1099484447.db2.gz JEPMFIZYHHZPPB-CQSZACIVSA-N -1 1 374.440 4.385 20 0 FIADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(Cl)cc1[O-] ZINC000436989917 1099495491 /nfs/dbraw/zinc/49/54/91/1099495491.db2.gz NOOZHZLBZRFOCA-UHFFFAOYSA-N -1 1 354.793 4.163 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H]1Cc1ccccc1 ZINC000516494649 1099541502 /nfs/dbraw/zinc/54/15/02/1099541502.db2.gz RHZQQVLYWJMFOZ-HNNXBMFYSA-N -1 1 352.821 4.051 20 0 FIADMM O=C([O-])[C@@H]1CN(CCCc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000263487154 1099795594 /nfs/dbraw/zinc/79/55/94/1099795594.db2.gz HQBSZQOPBMQXLZ-GHMZBOCLSA-N -1 1 370.198 4.121 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC)c2)cc1 ZINC000517197633 1100155809 /nfs/dbraw/zinc/15/58/09/1100155809.db2.gz SYSBAUOMCWCFBD-OAHLLOKOSA-N -1 1 374.506 4.093 20 0 FIADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000425946409 1100409962 /nfs/dbraw/zinc/40/99/62/1100409962.db2.gz ORINPQAKVHHXKH-UHFFFAOYSA-N -1 1 368.458 4.264 20 0 FIADMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000517750255 1100636040 /nfs/dbraw/zinc/63/60/40/1100636040.db2.gz ACGKZGNALCYILU-QGZVFWFLSA-N -1 1 350.871 4.150 20 0 FIADMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000517750255 1100636041 /nfs/dbraw/zinc/63/60/41/1100636041.db2.gz ACGKZGNALCYILU-QGZVFWFLSA-N -1 1 350.871 4.150 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1F ZINC000438716136 1100876385 /nfs/dbraw/zinc/87/63/85/1100876385.db2.gz HHKPRSFSHHIHMX-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000438761649 1100901752 /nfs/dbraw/zinc/90/17/52/1100901752.db2.gz BYPPINROMRXJSG-UHFFFAOYSA-N -1 1 369.286 4.010 20 0 FIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000438772865 1100908352 /nfs/dbraw/zinc/90/83/52/1100908352.db2.gz LBPOFBWGDNTVDE-UHFFFAOYSA-N -1 1 373.396 4.004 20 0 FIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438815781 1100927389 /nfs/dbraw/zinc/92/73/89/1100927389.db2.gz UQZWJOFSUSSGJZ-UHFFFAOYSA-N -1 1 355.818 4.119 20 0 FIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438810880 1100932424 /nfs/dbraw/zinc/93/24/24/1100932424.db2.gz ZTGIJQZMICTVDM-UHFFFAOYSA-N -1 1 361.463 4.115 20 0 FIADMM CC[C@H](C)CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506469013 1101099303 /nfs/dbraw/zinc/09/93/03/1101099303.db2.gz ZTVOBACKUGYSGJ-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000439072812 1101124964 /nfs/dbraw/zinc/12/49/64/1101124964.db2.gz RYBMPUJTNBCKBF-XMSQKQJNSA-N -1 1 359.429 4.015 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1 ZINC000439263726 1101286852 /nfs/dbraw/zinc/28/68/52/1101286852.db2.gz ZGIVLQDAIFVGNB-UHFFFAOYSA-N -1 1 373.503 4.303 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000536991838 1101375083 /nfs/dbraw/zinc/37/50/83/1101375083.db2.gz FOCGIOGAQDVRQE-UHFFFAOYSA-N -1 1 373.396 4.129 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1C ZINC000518741890 1101491057 /nfs/dbraw/zinc/49/10/57/1101491057.db2.gz ONDYXVQPPBTANS-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(Cl)ccc1C(F)(F)F ZINC000506594807 1101510294 /nfs/dbraw/zinc/51/02/94/1101510294.db2.gz NTUVRHJTCYVXCX-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM CCSc1nnc([N-]C(=O)c2csc(-c3ccccc3F)n2)s1 ZINC000518761931 1101517065 /nfs/dbraw/zinc/51/70/65/1101517065.db2.gz BMPCPRCCGAYGGW-UHFFFAOYSA-N -1 1 366.468 4.165 20 0 FIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000509595864 1101561483 /nfs/dbraw/zinc/56/14/83/1101561483.db2.gz KTWLEHYJNPNHGK-UHFFFAOYSA-N -1 1 363.870 4.380 20 0 FIADMM CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])no1 ZINC000179647045 1101562324 /nfs/dbraw/zinc/56/23/24/1101562324.db2.gz UYAGZRCIDVUDBP-INIZCTEOSA-N -1 1 351.406 4.029 20 0 FIADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1cccc(C(F)(F)F)c1 ZINC000537245663 1101583634 /nfs/dbraw/zinc/58/36/34/1101583634.db2.gz BCTFEOIENDTUQS-UHFFFAOYSA-N -1 1 373.321 4.397 20 0 FIADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)no1 ZINC000460150812 1101653566 /nfs/dbraw/zinc/65/35/66/1101653566.db2.gz NUOGOYXGLWJQOC-UHFFFAOYSA-N -1 1 370.478 4.402 20 0 FIADMM CN(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000518860948 1101656052 /nfs/dbraw/zinc/65/60/52/1101656052.db2.gz WMOAKGFGVZCVNH-UHFFFAOYSA-N -1 1 370.449 4.263 20 0 FIADMM CCc1cc2c(COC(=O)c3ccc(Cl)s3)cc(=O)oc2cc1[O-] ZINC000004242780 1101767823 /nfs/dbraw/zinc/76/78/23/1101767823.db2.gz XZLQDAQHWJJLQV-UHFFFAOYSA-N -1 1 364.806 4.133 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)cc(Cl)c1[O-] ZINC000186835524 1101787948 /nfs/dbraw/zinc/78/79/48/1101787948.db2.gz KDCCGOJGYAEXRO-UHFFFAOYSA-N -1 1 373.796 4.055 20 0 FIADMM O=C(Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1)c1cncc([O-])c1 ZINC000518988332 1101789189 /nfs/dbraw/zinc/78/91/89/1101789189.db2.gz YYYUSWSLXNTQAQ-UHFFFAOYSA-N -1 1 369.421 4.103 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)cc1 ZINC000519061340 1101886536 /nfs/dbraw/zinc/88/65/36/1101886536.db2.gz WRTGJHWWBIIEFZ-UHFFFAOYSA-N -1 1 358.246 4.305 20 0 FIADMM Cc1nc(CC(C)C)c([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)s1 ZINC000760363239 1101943207 /nfs/dbraw/zinc/94/32/07/1101943207.db2.gz BGMSYLUXCILCJO-MDZDMXLPSA-N -1 1 350.509 4.371 20 0 FIADMM Cc1nc(CC(C)C)c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000760363390 1101943739 /nfs/dbraw/zinc/94/37/39/1101943739.db2.gz DOUMEXDZIHIEBA-UHFFFAOYSA-N -1 1 362.520 4.379 20 0 FIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 ZINC000476207565 1102040537 /nfs/dbraw/zinc/04/05/37/1102040537.db2.gz ZJTNACQWHZLHKG-JTQLQIEISA-N -1 1 359.854 4.048 20 0 FIADMM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000440116562 1102041681 /nfs/dbraw/zinc/04/16/81/1102041681.db2.gz FOSZJHDOEBMDJS-AWEZNQCLSA-N -1 1 367.474 4.290 20 0 FIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c(C)c1 ZINC000476311829 1102117609 /nfs/dbraw/zinc/11/76/09/1102117609.db2.gz BAOXEQJYZDJMJL-UHFFFAOYSA-N -1 1 361.463 4.014 20 0 FIADMM O=C([O-])c1cccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000263484005 1102181208 /nfs/dbraw/zinc/18/12/08/1102181208.db2.gz OVDGKNKVJGRNLM-UHFFFAOYSA-N -1 1 357.837 4.133 20 0 FIADMM Cc1nc(CNCc2cccc(OCC3CCCCC3)c2)ccc1C(=O)[O-] ZINC000426633119 1102202932 /nfs/dbraw/zinc/20/29/32/1102202932.db2.gz BSZBWAMYWBYWTR-UHFFFAOYSA-N -1 1 368.477 4.337 20 0 FIADMM CCCCc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000426634743 1102207638 /nfs/dbraw/zinc/20/76/38/1102207638.db2.gz PMVMESLGIROUPJ-UHFFFAOYSA-N -1 1 352.434 4.467 20 0 FIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000053208976 1102220987 /nfs/dbraw/zinc/22/09/87/1102220987.db2.gz RHDDNEKZALKLSO-UHFFFAOYSA-N -1 1 352.375 4.014 20 0 FIADMM Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000426643263 1102229581 /nfs/dbraw/zinc/22/95/81/1102229581.db2.gz NXMPUWAUQHUKJI-AWEZNQCLSA-N -1 1 351.233 4.380 20 0 FIADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(Cl)c(Cl)c1 ZINC000216127723 1102412540 /nfs/dbraw/zinc/41/25/40/1102412540.db2.gz UTPIHIAMYYVYCJ-UHFFFAOYSA-N -1 1 353.230 4.342 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2cnc(-c3ccsc3)s2)s1 ZINC000112238473 1102833844 /nfs/dbraw/zinc/83/38/44/1102833844.db2.gz VUPSRIHRDUSDJX-UHFFFAOYSA-N -1 1 350.494 4.273 20 0 FIADMM Cc1cccc([C@@H](NCc2cc(C(F)(F)F)ccc2F)C(=O)[O-])c1C ZINC000426717324 1102938371 /nfs/dbraw/zinc/93/83/71/1102938371.db2.gz ONBPRUNTIVJVLP-MRXNPFEDSA-N -1 1 355.331 4.377 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1cc(Br)ccc1Cl ZINC000426712116 1102947474 /nfs/dbraw/zinc/94/74/74/1102947474.db2.gz URXJQOFDBHKFCQ-UHFFFAOYSA-N -1 1 368.658 4.019 20 0 FIADMM Cc1cccc([C@@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])c1C ZINC000426730435 1102950678 /nfs/dbraw/zinc/95/06/78/1102950678.db2.gz LDPFTPVLZKEOCO-OAQYLSRUSA-N -1 1 364.420 4.420 20 0 FIADMM Cc1cc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)ccc1Cl ZINC000426734311 1102954033 /nfs/dbraw/zinc/95/40/33/1102954033.db2.gz PSFIHXHIZGWYRZ-LJQANCHMSA-N -1 1 369.852 4.140 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl ZINC000614840380 1102964996 /nfs/dbraw/zinc/96/49/96/1102964996.db2.gz DTXSHRLZNPQSNF-UHFFFAOYSA-N -1 1 364.225 4.332 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1 ZINC000614844370 1102969218 /nfs/dbraw/zinc/96/92/18/1102969218.db2.gz RMICURSDDUHFBE-UHFFFAOYSA-N -1 1 359.369 4.180 20 0 FIADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000426754170 1102969283 /nfs/dbraw/zinc/96/92/83/1102969283.db2.gz OEKNNRPTXZYKEJ-HNNXBMFYSA-N -1 1 358.196 4.057 20 0 FIADMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)ccc1Br)c1ccccc1 ZINC000426757204 1102971376 /nfs/dbraw/zinc/97/13/76/1102971376.db2.gz CDXDRWBNHAEUJM-MEDUHNTESA-N -1 1 366.230 4.140 20 0 FIADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426778742 1102982018 /nfs/dbraw/zinc/98/20/18/1102982018.db2.gz AKOQOFWLTIQVEE-AWEZNQCLSA-N -1 1 370.522 4.079 20 0 FIADMM COc1cccc(C[C@@H](NCc2ccc(-c3ccc(C)cc3)o2)C(=O)[O-])c1 ZINC000426783413 1102984847 /nfs/dbraw/zinc/98/48/47/1102984847.db2.gz JQEFDSGNTNZIHE-HXUWFJFHSA-N -1 1 365.429 4.049 20 0 FIADMM CCCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1OC ZINC000426785776 1102985707 /nfs/dbraw/zinc/98/57/07/1102985707.db2.gz YXXYWXXYHVJQOK-OAHLLOKOSA-N -1 1 369.870 4.114 20 0 FIADMM O=C([O-])C[C@H](NCc1cccc(-c2ccccn2)c1)c1ccc(F)cc1F ZINC000426807043 1102988416 /nfs/dbraw/zinc/98/84/16/1102988416.db2.gz LWZKZRBWJFAJPG-FQEVSTJZSA-N -1 1 368.383 4.332 20 0 FIADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(OCc3ccccc3)c2)o1 ZINC000426803530 1103000779 /nfs/dbraw/zinc/00/07/79/1103000779.db2.gz NEENZVDLWYCNGU-HXUWFJFHSA-N -1 1 365.429 4.473 20 0 FIADMM COc1ccccc1[C@H](NCc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC000426810153 1103005204 /nfs/dbraw/zinc/00/52/04/1103005204.db2.gz IBFPGIZNAVSYIM-FQEVSTJZSA-N -1 1 357.450 4.036 20 0 FIADMM COc1cc(-c2ccccc2)ccc1CN[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000426811774 1103006174 /nfs/dbraw/zinc/00/61/74/1103006174.db2.gz OGMFBRMHYCEZOZ-OAQYLSRUSA-N -1 1 365.404 4.417 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)cc(Cl)c1[O-] ZINC000426952185 1103124092 /nfs/dbraw/zinc/12/40/92/1103124092.db2.gz VLOXJXAPJXCJBL-XJKCOSOUSA-N -1 1 359.853 4.461 20 0 FIADMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477111777 1103133362 /nfs/dbraw/zinc/13/33/62/1103133362.db2.gz YQHOMQCVUWAKGY-INIZCTEOSA-N -1 1 371.824 4.232 20 0 FIADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1 ZINC000427308856 1103436088 /nfs/dbraw/zinc/43/60/88/1103436088.db2.gz NIUJNGDJZNRPJJ-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000507504313 1103445543 /nfs/dbraw/zinc/44/55/43/1103445543.db2.gz IULJDNPPSLDPHI-QWRGUYRKSA-N -1 1 366.346 4.004 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(Cl)cc1F ZINC000507549531 1103490248 /nfs/dbraw/zinc/49/02/48/1103490248.db2.gz KMXCYDPPENNMPB-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000477440917 1103501243 /nfs/dbraw/zinc/50/12/43/1103501243.db2.gz SVHDKZZINMQAQS-INIZCTEOSA-N -1 1 371.506 4.143 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000427458703 1103571240 /nfs/dbraw/zinc/57/12/40/1103571240.db2.gz IVTXVICARXNHPW-CQSZACIVSA-N -1 1 367.474 4.361 20 0 FIADMM CC(C)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000440583565 1103809904 /nfs/dbraw/zinc/80/99/04/1103809904.db2.gz KKXLNKPWBLMUPT-KRWDZBQOSA-N -1 1 369.852 4.094 20 0 FIADMM O=C(Nc1ccc(-c2nncs2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000537722022 1103894799 /nfs/dbraw/zinc/89/47/99/1103894799.db2.gz VGIAUZNZWFKRNT-UHFFFAOYSA-N -1 1 365.336 4.182 20 0 FIADMM Cc1cc(C)n(-c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2F)n1 ZINC000445457878 1103922418 /nfs/dbraw/zinc/92/24/18/1103922418.db2.gz UPNUCSKADDVLMY-UHFFFAOYSA-N -1 1 368.343 4.190 20 0 FIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)c2)n1 ZINC000780394717 1104462768 /nfs/dbraw/zinc/46/27/68/1104462768.db2.gz AKCUAPUVQUZNFC-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)cnc1C ZINC000536304235 1104638947 /nfs/dbraw/zinc/63/89/47/1104638947.db2.gz TVHLIXNCBOOBEC-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccc2ncsc2c1 ZINC000520468400 1104803123 /nfs/dbraw/zinc/80/31/23/1104803123.db2.gz NUPVFCZBOJYWAL-UHFFFAOYSA-N -1 1 367.455 4.159 20 0 FIADMM CCOC[C@H](NCc1ccc(-c2ccc(Cl)c(Cl)c2)s1)C(=O)[O-] ZINC000417609834 1105018088 /nfs/dbraw/zinc/01/80/88/1105018088.db2.gz RSQSVDYDULQTTD-AWEZNQCLSA-N -1 1 374.289 4.301 20 0 FIADMM CC(C)=CCSC[C@@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417620060 1105022895 /nfs/dbraw/zinc/02/28/95/1105022895.db2.gz CHHSUECYPLGCHZ-SNVBAGLBSA-N -1 1 354.324 4.297 20 0 FIADMM CCC1(CC)[C@H](N(C)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1OC ZINC000520594948 1105026634 /nfs/dbraw/zinc/02/66/34/1105026634.db2.gz ZAJBXFMLTPVIBC-MSOLQXFVSA-N -1 1 372.465 4.065 20 0 FIADMM Cc1cc(Br)c(CNCc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000417674287 1105068573 /nfs/dbraw/zinc/06/85/73/1105068573.db2.gz YOKQATGPYGYUPK-UHFFFAOYSA-N -1 1 354.269 4.115 20 0 FIADMM O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000441723587 1105122668 /nfs/dbraw/zinc/12/26/68/1105122668.db2.gz APFOWLZDMFYQKB-UHFFFAOYSA-N -1 1 371.380 4.013 20 0 FIADMM CSc1ccccc1S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000780394874 1105201972 /nfs/dbraw/zinc/20/19/72/1105201972.db2.gz LUAMBJBNFAZYCN-UHFFFAOYSA-N -1 1 373.455 4.061 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1F ZINC000427648512 1105224944 /nfs/dbraw/zinc/22/49/44/1105224944.db2.gz ZNENHTJMZJFGNQ-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c1 ZINC000427657528 1105239390 /nfs/dbraw/zinc/23/93/90/1105239390.db2.gz QDKVGDKMKMLDHE-UHFFFAOYSA-N -1 1 368.458 4.004 20 0 FIADMM O=C([N-]c1nncs1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000031273210 1106845142 /nfs/dbraw/zinc/84/51/42/1106845142.db2.gz YXFOBLSYUFGYKW-UHFFFAOYSA-N -1 1 354.416 4.174 20 0 FIADMM Cc1cc(Br)c(CN2CC[C@H](C)C[C@H]2C(=O)[O-])cc1Cl ZINC000530166728 1106873119 /nfs/dbraw/zinc/87/31/19/1106873119.db2.gz SYXFLYOPNXANMS-XPTSAGLGSA-N -1 1 360.679 4.096 20 0 FIADMM COc1ccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1F ZINC000301381692 1107010921 /nfs/dbraw/zinc/01/09/21/1107010921.db2.gz ZOVUXNFGFCSDRU-CYBMUJFWSA-N -1 1 368.412 4.182 20 0 FIADMM Cc1ccc(O[C@H](C)CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301434444 1107029491 /nfs/dbraw/zinc/02/94/91/1107029491.db2.gz HBAXKERMWARIGO-CQSZACIVSA-N -1 1 364.449 4.049 20 0 FIADMM CCS[C@H]1CCC[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301490012 1107046801 /nfs/dbraw/zinc/04/68/01/1107046801.db2.gz AIVUCUGSTIYRMQ-CVEARBPZSA-N -1 1 358.511 4.337 20 0 FIADMM Cc1nc(-c2ccc(N(C)[C@@H](C)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301497900 1107048724 /nfs/dbraw/zinc/04/87/24/1107048724.db2.gz CAXSTYHLAZSBFH-AWEZNQCLSA-N -1 1 352.413 4.198 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@H]3C3CCCCC3)nc2)[n-]c(=O)c1C ZINC000301562461 1107070154 /nfs/dbraw/zinc/07/01/54/1107070154.db2.gz UTAKPLMUNMZPMY-SFHVURJKSA-N -1 1 352.482 4.410 20 0 FIADMM Cc1nc(-c2ccc(NCCC3Cc4ccccc4C3)nc2)[n-]c(=O)c1C ZINC000301820432 1107166650 /nfs/dbraw/zinc/16/66/50/1107166650.db2.gz GHVRGQKWBJSANZ-UHFFFAOYSA-N -1 1 360.461 4.078 20 0 FIADMM CC(F)(F)CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000451605230 1107198123 /nfs/dbraw/zinc/19/81/23/1107198123.db2.gz CZXCGJGPAOWWRB-UHFFFAOYSA-N -1 1 365.751 4.073 20 0 FIADMM CCC(CC)[C@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000302051300 1107276713 /nfs/dbraw/zinc/27/67/13/1107276713.db2.gz OWANVCDJIIOWAV-QZTJIDSGSA-N -1 1 370.497 4.257 20 0 FIADMM Cc1cc(C)cc([C@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)c1 ZINC000302087219 1107297414 /nfs/dbraw/zinc/29/74/14/1107297414.db2.gz ADWHEVGAXYNGGJ-IBGZPJMESA-N -1 1 374.488 4.472 20 0 FIADMM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000530770814 1107309363 /nfs/dbraw/zinc/30/93/63/1107309363.db2.gz IXAZSQNDDQCTBI-AAEUAGOBSA-N -1 1 361.385 4.080 20 0 FIADMM O=S(=O)([N-]CCc1c[nH]c2ccc(Cl)cc12)c1cc2ccccc2o1 ZINC000530770728 1107310441 /nfs/dbraw/zinc/31/04/41/1107310441.db2.gz CVPZBULQHHJBSA-UHFFFAOYSA-N -1 1 374.849 4.089 20 0 FIADMM O=c1cc(CN(Cc2ccco2)Cc2cccs2)c2ccc([O-])cc2o1 ZINC000007580770 1107446030 /nfs/dbraw/zinc/44/60/30/1107446030.db2.gz LIMJIUNNESHLBT-UHFFFAOYSA-N -1 1 367.426 4.356 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)cs1 ZINC000614765943 1107697666 /nfs/dbraw/zinc/69/76/66/1107697666.db2.gz JPHKRXYVQPHHGP-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM COc1cc(C(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)cc(Cl)c1[O-] ZINC000452665435 1107896844 /nfs/dbraw/zinc/89/68/44/1107896844.db2.gz RUNGHVPSUHXCMP-NGZCFLSTSA-N -1 1 365.779 4.246 20 0 FIADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4ccncc43)cc(Cl)c2O1 ZINC000531527100 1107952066 /nfs/dbraw/zinc/95/20/66/1107952066.db2.gz IMKQFPSZOYMYQR-NSHDSACASA-N -1 1 374.849 4.012 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])c1csc(-c2c(F)cccc2F)n1 ZINC000531756071 1108121978 /nfs/dbraw/zinc/12/19/78/1108121978.db2.gz XSQCJFGICVPGIM-UHFFFAOYSA-N -1 1 350.321 4.185 20 0 FIADMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(Cl)c1OCC(C)C ZINC000531755758 1108122145 /nfs/dbraw/zinc/12/21/45/1108122145.db2.gz LIFMDGZOUXNILX-UHFFFAOYSA-N -1 1 367.804 4.480 20 0 FIADMM COc1cc(-c2nc(CCn3ccc4ccccc43)no2)cc(Cl)c1[O-] ZINC000445199770 1108524799 /nfs/dbraw/zinc/52/47/99/1108524799.db2.gz UZOCXSNGULFBSU-UHFFFAOYSA-N -1 1 369.808 4.302 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3ccc(C)cn3)n2)cc(Cl)c1[O-] ZINC000445410705 1108720810 /nfs/dbraw/zinc/72/08/10/1108720810.db2.gz GFIIGFSCRJHLQF-SREVYHEPSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(C(C)C)nn3C)n2)cc(Cl)c1[O-] ZINC000445413445 1108722188 /nfs/dbraw/zinc/72/21/88/1108722188.db2.gz RMKVZBYADBMAMC-UHFFFAOYSA-N -1 1 362.817 4.018 20 0 FIADMM CCOc1cc(-c2noc(-c3cc(OC)cs3)n2)cc(Cl)c1[O-] ZINC000445413289 1108723768 /nfs/dbraw/zinc/72/37/68/1108723768.db2.gz XSRHNCWFBHDMGJ-UHFFFAOYSA-N -1 1 352.799 4.231 20 0 FIADMM COc1cc(-c2noc(C[C@H](C)C(C)C)n2)cc(Br)c1[O-] ZINC000445400809 1108727675 /nfs/dbraw/zinc/72/76/75/1108727675.db2.gz GKTSHPPPOCTBEP-VIFPVBQESA-N -1 1 355.232 4.048 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3COc4ccccc4C3)n2)cc(Cl)c1[O-] ZINC000445422801 1108734968 /nfs/dbraw/zinc/73/49/68/1108734968.db2.gz QMGXUTUAKBMBEG-ZDUSSCGKSA-N -1 1 372.808 4.213 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3cncc(C)c3)n2)cc(Cl)c1[O-] ZINC000445428632 1108738964 /nfs/dbraw/zinc/73/89/64/1108738964.db2.gz WFYNBHDMCZLHRV-PLNGDYQASA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3cncc(C)c3)n2)cc(Cl)c1[O-] ZINC000445428633 1108739848 /nfs/dbraw/zinc/73/98/48/1108739848.db2.gz WFYNBHDMCZLHRV-SNAWJCMRSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc(CCc3ccc(OC)cc3)n2)cc(Cl)c1[O-] ZINC000445417033 1108746862 /nfs/dbraw/zinc/74/68/62/1108746862.db2.gz IWWUCWVGXUCLNC-UHFFFAOYSA-N -1 1 374.824 4.288 20 0 FIADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445444933 1108771410 /nfs/dbraw/zinc/77/14/10/1108771410.db2.gz HVPLOFKNJISJAN-MEBBXXQBSA-N -1 1 369.808 4.357 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(Cn4cccn4)cc3)n2)c(Cl)c1 ZINC000445446458 1108772053 /nfs/dbraw/zinc/77/20/53/1108772053.db2.gz OZXIZQPGLIVFSW-UHFFFAOYSA-N -1 1 352.781 4.007 20 0 FIADMM CCCOc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445452935 1108785920 /nfs/dbraw/zinc/78/59/20/1108785920.db2.gz GQPYIBMJCLSPMC-UHFFFAOYSA-N -1 1 370.380 4.186 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(Br)o3)n2)cc1F ZINC000445479731 1108799760 /nfs/dbraw/zinc/79/97/60/1108799760.db2.gz WZLVXJJRKYHOOI-ZZXKWVIFSA-N -1 1 351.131 4.107 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccccc3OC(F)F)n2)cc1F ZINC000445482357 1108802718 /nfs/dbraw/zinc/80/27/18/1108802718.db2.gz ORXMYQBMTZMJGD-VXGBXAGGSA-N -1 1 362.307 4.454 20 0 FIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000445697098 1108956316 /nfs/dbraw/zinc/95/63/16/1108956316.db2.gz NAYJIWAMLFZCGF-SECBINFHSA-N -1 1 364.216 4.249 20 0 FIADMM CCc1ccc(C(=O)[C@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000524638219 1109100682 /nfs/dbraw/zinc/10/06/82/1109100682.db2.gz IOCCADXOOLYQQF-VIFPVBQESA-N -1 1 356.369 4.127 20 0 FIADMM COc1cc(C(=O)Nc2nc(-c3cccs3)cs2)cc(Cl)c1[O-] ZINC000526947188 1109647201 /nfs/dbraw/zinc/64/72/01/1109647201.db2.gz GPNSEZFFCBGHGC-UHFFFAOYSA-N -1 1 366.851 4.492 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000526942809 1109651711 /nfs/dbraw/zinc/65/17/11/1109651711.db2.gz CICNKKDGOUNZJL-SWLSCSKDSA-N -1 1 363.816 4.259 20 0 FIADMM O=c1cc(CN[C@@H](c2ccccn2)C2CCC2)c2cc(Cl)c([O-])cc2o1 ZINC000528656785 1110065020 /nfs/dbraw/zinc/06/50/20/1110065020.db2.gz HWEMPWISVSJQGY-HXUWFJFHSA-N -1 1 370.836 4.178 20 0 FIADMM Cc1cc(-c2noc([C@@H](C)Sc3nc(C)c(C)c(=O)[n-]3)n2)ccc1F ZINC000538515952 1111176605 /nfs/dbraw/zinc/17/66/05/1111176605.db2.gz YZFYCCXJNKAOMP-LLVKDONJSA-N -1 1 360.414 4.150 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1 ZINC000461415742 1111203343 /nfs/dbraw/zinc/20/33/43/1111203343.db2.gz CRXSMTDDEBHDBS-UHFFFAOYSA-N -1 1 374.506 4.000 20 0 FIADMM CCCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461634675 1111295586 /nfs/dbraw/zinc/29/55/86/1111295586.db2.gz WEEYWMKSTUFSNH-INIZCTEOSA-N -1 1 374.506 4.138 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1O ZINC000462106706 1111495177 /nfs/dbraw/zinc/49/51/77/1111495177.db2.gz YOEUNPBYMYSFPF-UHFFFAOYSA-N -1 1 365.760 4.174 20 0 FIADMM COC(=O)c1cc(F)cc([N-]C(=O)c2coc(C3CCCCC3)n2)c1F ZINC000478062858 1111661816 /nfs/dbraw/zinc/66/18/16/1111661816.db2.gz RKNBDWFBNIVZTN-UHFFFAOYSA-N -1 1 364.348 4.039 20 0 FIADMM COc1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc(Cl)c1[O-] ZINC000552913480 1111846467 /nfs/dbraw/zinc/84/64/67/1111846467.db2.gz NKOOLZZAFUJMKR-QGZVFWFLSA-N -1 1 357.793 4.167 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)cc2[nH]1 ZINC000533946955 1111956484 /nfs/dbraw/zinc/95/64/84/1111956484.db2.gz NPLYUCBOCYXEKD-UHFFFAOYSA-N -1 1 362.263 4.040 20 0 FIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2sccc2C)c1 ZINC000479470134 1112043347 /nfs/dbraw/zinc/04/33/47/1112043347.db2.gz RGSYKNQHDJMTJO-UHFFFAOYSA-N -1 1 372.899 4.249 20 0 FIADMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(C(F)F)cc1 ZINC000554685701 1112442484 /nfs/dbraw/zinc/44/24/84/1112442484.db2.gz NCXQPOZJJYPEBH-UHFFFAOYSA-N -1 1 362.195 4.188 20 0 FIADMM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1C ZINC000480538719 1112467568 /nfs/dbraw/zinc/46/75/68/1112467568.db2.gz SMSUKNMCMPCZQI-SNVBAGLBSA-N -1 1 366.259 4.191 20 0 FIADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000899020036 1112559394 /nfs/dbraw/zinc/55/93/94/1112559394.db2.gz BXIATIDWWQWFMM-FQEVSTJZSA-N -1 1 360.413 4.013 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000667844207 1112814343 /nfs/dbraw/zinc/81/43/43/1112814343.db2.gz BBQXVIPVNRYOJS-VIFPVBQESA-N -1 1 369.849 4.047 20 0 FIADMM CN(C(=O)c1cncc([O-])c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000555860123 1113035904 /nfs/dbraw/zinc/03/59/04/1113035904.db2.gz AWJAXEHHSXDQQE-LJQANCHMSA-N -1 1 370.811 4.441 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(Cl)cc1Cl ZINC000481899377 1113124526 /nfs/dbraw/zinc/12/45/26/1113124526.db2.gz OUDYPUNYODJYEA-UHFFFAOYSA-N -1 1 368.245 4.046 20 0 FIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1Cl ZINC000481971209 1113143384 /nfs/dbraw/zinc/14/33/84/1113143384.db2.gz GNXCDUOKFPLHBT-UHFFFAOYSA-N -1 1 366.870 4.223 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCOc2ccccc2)c1 ZINC000482540653 1113287574 /nfs/dbraw/zinc/28/75/74/1113287574.db2.gz YFSBTNHZEAMIDT-UHFFFAOYSA-N -1 1 364.239 4.261 20 0 FIADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cn(C)c2ccccc12 ZINC000482944092 1113404353 /nfs/dbraw/zinc/40/43/53/1113404353.db2.gz GUINTTFRWMJJJL-ZDUSSCGKSA-N -1 1 360.417 4.016 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000483241909 1113470249 /nfs/dbraw/zinc/47/02/49/1113470249.db2.gz WDBZOTAPEGMXOU-UHFFFAOYSA-N -1 1 361.357 4.420 20 0 FIADMM COc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000460185693 1113556547 /nfs/dbraw/zinc/55/65/47/1113556547.db2.gz OEEUJFCPKDIVGD-CYBMUJFWSA-N -1 1 359.853 4.495 20 0 FIADMM CC(C)N(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CCC1 ZINC000486426026 1113564857 /nfs/dbraw/zinc/56/48/57/1113564857.db2.gz DLJLPFXRDFXEAG-UHFFFAOYSA-N -1 1 363.255 4.106 20 0 FIADMM C[C@H]1CCCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486501656 1113583286 /nfs/dbraw/zinc/58/32/86/1113583286.db2.gz UMMDRUPQUWSEKE-NSHDSACASA-N -1 1 363.255 4.108 20 0 FIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1Cl ZINC000486560602 1113594819 /nfs/dbraw/zinc/59/48/19/1113594819.db2.gz CPDAHMDSIFMWNC-UHFFFAOYSA-N -1 1 374.224 4.118 20 0 FIADMM CCCOc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000031603754 1113618808 /nfs/dbraw/zinc/61/88/08/1113618808.db2.gz LJAMLORXRRNSPQ-UHFFFAOYSA-N -1 1 374.491 4.097 20 0 FIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cnc(-c2ccsc2)s1 ZINC000486687058 1113623997 /nfs/dbraw/zinc/62/39/97/1113623997.db2.gz UAHCHNLLOQNZHY-UHFFFAOYSA-N -1 1 360.445 4.235 20 0 FIADMM Cc1cc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc(C)c1Cl ZINC000486832678 1113655849 /nfs/dbraw/zinc/65/58/49/1113655849.db2.gz NUDNQJWUIDAXGV-UHFFFAOYSA-N -1 1 371.824 4.070 20 0 FIADMM CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000486845078 1113658611 /nfs/dbraw/zinc/65/86/11/1113658611.db2.gz LWXNTVQMGTZVII-UHFFFAOYSA-N -1 1 372.490 4.233 20 0 FIADMM CCN(CC)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000908684647 1113681331 /nfs/dbraw/zinc/68/13/31/1113681331.db2.gz MMJHCVXWDOZMMI-KRWDZBQOSA-N -1 1 360.841 4.060 20 0 FIADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1Cl ZINC000908689482 1113681865 /nfs/dbraw/zinc/68/18/65/1113681865.db2.gz XTSXZFTXEFGPOL-GOSISDBHSA-N -1 1 372.852 4.031 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)c1conc1C1CCCC1 ZINC000908716706 1113688719 /nfs/dbraw/zinc/68/87/19/1113688719.db2.gz KXNVLUVMLPGORU-UHFFFAOYSA-N -1 1 351.200 4.053 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000487938423 1113830277 /nfs/dbraw/zinc/83/02/77/1113830277.db2.gz APPGRGCGZCIUKV-UHFFFAOYSA-N -1 1 369.465 4.269 20 0 FIADMM O=C(C[C@@H]1C=CCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000489754566 1114169346 /nfs/dbraw/zinc/16/93/46/1114169346.db2.gz OVSAVLFXZTZXNM-MRXNPFEDSA-N -1 1 370.474 4.172 20 0 FIADMM Cc1ccc(-c2nnc([N-]C(=O)c3snnc3C(C)(C)C)s2)c(C)c1 ZINC000489918720 1114187253 /nfs/dbraw/zinc/18/72/53/1114187253.db2.gz OYOKJVUTSTZRRX-UHFFFAOYSA-N -1 1 373.507 4.223 20 0 FIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1c(F)cccc1Cl ZINC000490869822 1114344039 /nfs/dbraw/zinc/34/40/39/1114344039.db2.gz GNCANTZLYKIBRD-MRVPVSSYSA-N -1 1 372.621 4.438 20 0 FIADMM O=S(=O)([N-]c1ccc([C@H]2CCOC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000570898446 1114383062 /nfs/dbraw/zinc/38/30/62/1114383062.db2.gz QFJLJHYZLOFKTL-ZDUSSCGKSA-N -1 1 371.380 4.010 20 0 FIADMM Cc1oc(-c2cccs2)nc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000571690326 1114491665 /nfs/dbraw/zinc/49/16/65/1114491665.db2.gz YLYZISNKQOTXHN-UHFFFAOYSA-N -1 1 355.391 4.437 20 0 FIADMM CCCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c1 ZINC000571728089 1114500381 /nfs/dbraw/zinc/50/03/81/1114500381.db2.gz GUDAYDIWNFURRL-UHFFFAOYSA-N -1 1 369.870 4.076 20 0 FIADMM C[C@]12CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C[C@H]1C2(F)F ZINC000571941408 1114560314 /nfs/dbraw/zinc/56/03/14/1114560314.db2.gz JUZWCZQQNZYKKI-DYEKYZERSA-N -1 1 350.192 4.096 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C(F)(F)F ZINC000588632575 1114588847 /nfs/dbraw/zinc/58/88/47/1114588847.db2.gz ACANPKTVLHCXPG-UHFFFAOYSA-N -1 1 354.353 4.296 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cnc2n1 ZINC000589702657 1114829700 /nfs/dbraw/zinc/82/97/00/1114829700.db2.gz HWIPTIVSRCBIOG-QGZVFWFLSA-N -1 1 361.445 4.054 20 0 FIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](c3ccccc3)CC1)c2=O ZINC000589702657 1114829704 /nfs/dbraw/zinc/82/97/04/1114829704.db2.gz HWIPTIVSRCBIOG-QGZVFWFLSA-N -1 1 361.445 4.054 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000004879203 1114859840 /nfs/dbraw/zinc/85/98/40/1114859840.db2.gz OPELVJSCFMZBBG-UHFFFAOYSA-N -1 1 366.442 4.048 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)c(C)c1 ZINC000057120370 1114873871 /nfs/dbraw/zinc/87/38/71/1114873871.db2.gz YGJPOIHZUDCVEX-UHFFFAOYSA-N -1 1 372.446 4.076 20 0 FIADMM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1F ZINC001212166164 1115007164 /nfs/dbraw/zinc/00/71/64/1115007164.db2.gz PPRKLUVGVNZAIY-OCCSQVGLSA-N -1 1 371.836 4.233 20 0 FIADMM O=C([O-])c1cccc(-c2nc(CN3CCSC4(CCC4)CC3)cs2)c1 ZINC000573387698 1115104552 /nfs/dbraw/zinc/10/45/52/1115104552.db2.gz WUUBYIDHJHGZFX-UHFFFAOYSA-N -1 1 374.531 4.370 20 0 FIADMM CN(CCOc1ccccc1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058204874 1115139231 /nfs/dbraw/zinc/13/92/31/1115139231.db2.gz NGRVBOIXVYRWKI-UHFFFAOYSA-N -1 1 360.527 4.032 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)ccc1F ZINC000591795444 1115139237 /nfs/dbraw/zinc/13/92/37/1115139237.db2.gz MDHSCVBQYOBVBS-UHFFFAOYSA-N -1 1 372.421 4.467 20 0 FIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@@H]1c1cccs1 ZINC000058205051 1115139240 /nfs/dbraw/zinc/13/92/40/1115139240.db2.gz TVNYSONQCNKMAB-CYBMUJFWSA-N -1 1 362.549 4.449 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3ccc(-c4ccco4)nc3C)[nH][n-]2)s1 ZINC000591827831 1115150805 /nfs/dbraw/zinc/15/08/05/1115150805.db2.gz GYVLLVFWJRNTKK-UHFFFAOYSA-N -1 1 364.430 4.084 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2CSC)c1 ZINC000574373534 1115358384 /nfs/dbraw/zinc/35/83/84/1115358384.db2.gz WMVYYNRFASEYDC-UHFFFAOYSA-N -1 1 371.911 4.150 20 0 FIADMM COCc1ccc([C@@H]2CCCN2c2c(C(=O)[O-])cnc3ccccc32)o1 ZINC000574813968 1115496916 /nfs/dbraw/zinc/49/69/16/1115496916.db2.gz SJKYCDPBIOSYBK-KRWDZBQOSA-N -1 1 352.390 4.014 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c1C ZINC000595129124 1115518679 /nfs/dbraw/zinc/51/86/79/1115518679.db2.gz DCYQNOVDGJZOHV-UHFFFAOYSA-N -1 1 369.490 4.122 20 0 FIADMM Cc1cc(-c2ncco2)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000575028969 1115530214 /nfs/dbraw/zinc/53/02/14/1115530214.db2.gz VXXNFPPTHOIUDZ-UHFFFAOYSA-N -1 1 366.421 4.004 20 0 FIADMM O=C([O-])CC1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000575065647 1115532480 /nfs/dbraw/zinc/53/24/80/1115532480.db2.gz UQWNMVBTIHRSQE-UHFFFAOYSA-N -1 1 361.388 4.444 20 0 FIADMM Cc1nnc([N-]C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)s1 ZINC000595898032 1115566359 /nfs/dbraw/zinc/56/63/59/1115566359.db2.gz GJUZORDHQIWKQT-UHFFFAOYSA-N -1 1 362.414 4.421 20 0 FIADMM COc1cccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)c1 ZINC000595879045 1115567547 /nfs/dbraw/zinc/56/75/47/1115567547.db2.gz SAGORTOBKNUJLU-UHFFFAOYSA-N -1 1 374.462 4.226 20 0 FIADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(F)c(Cl)c1 ZINC000601432920 1115636233 /nfs/dbraw/zinc/63/62/33/1115636233.db2.gz FWBSVCFONBPHCQ-UHFFFAOYSA-N -1 1 362.813 4.342 20 0 FIADMM CCCc1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000599124450 1115791268 /nfs/dbraw/zinc/79/12/68/1115791268.db2.gz RUWRVOHUYJEUCQ-UHFFFAOYSA-N -1 1 356.369 4.129 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2ccccc2Br)[n-]1 ZINC000599124471 1115791282 /nfs/dbraw/zinc/79/12/82/1115791282.db2.gz UJKNVLYDXXSKIL-UHFFFAOYSA-N -1 1 365.174 4.256 20 0 FIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3CCCC4)cc2)co1 ZINC000599422035 1115814208 /nfs/dbraw/zinc/81/42/08/1115814208.db2.gz NKYVTKHGLAWIGF-UHFFFAOYSA-N -1 1 368.458 4.330 20 0 FIADMM CCSCc1ccnc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000761364047 1115855685 /nfs/dbraw/zinc/85/56/85/1115855685.db2.gz BBBBRXULWLYINS-CSKARUKUSA-N -1 1 368.911 4.401 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC[C@H](C(C)C)C2)cc1 ZINC000171598428 1115872292 /nfs/dbraw/zinc/87/22/92/1115872292.db2.gz ZVRSGSCZUNHCGC-IRXDYDNUSA-N -1 1 372.538 4.247 20 0 FIADMM CSc1ccccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000605492486 1115903961 /nfs/dbraw/zinc/90/39/61/1115903961.db2.gz KRTMQLJRWNYHDN-SNVBAGLBSA-N -1 1 369.895 4.186 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC000605492462 1115903966 /nfs/dbraw/zinc/90/39/66/1115903966.db2.gz IQAOLBZNKLEGTK-JTQLQIEISA-N -1 1 369.895 4.186 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3ccc(F)cc32)c([O-])c1 ZINC000172714227 1115979269 /nfs/dbraw/zinc/97/92/69/1115979269.db2.gz GPPWOMYGNSFEKY-UHFFFAOYSA-N -1 1 372.396 4.081 20 0 FIADMM CCc1c(C)sc2nc(-c3cccc(OCC(F)(F)F)n3)[n-]c(=O)c21 ZINC000607390928 1116025891 /nfs/dbraw/zinc/02/58/91/1116025891.db2.gz YSBGSUGBROGIDA-UHFFFAOYSA-N -1 1 369.368 4.271 20 0 FIADMM CCCCCC[C@H](C)C(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000173140477 1116031751 /nfs/dbraw/zinc/03/17/51/1116031751.db2.gz PISJDVPIXQDCRZ-JTQLQIEISA-N -1 1 367.544 4.455 20 0 FIADMM COc1ccc(OCc2nc(C=C3SC(=S)[N-]C3=O)cs2)cc1 ZINC000063275044 1116035931 /nfs/dbraw/zinc/03/59/31/1116035931.db2.gz CCWODESCFIESBQ-SDQBBNPISA-N -1 1 364.473 4.060 20 0 FIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000607882192 1116073073 /nfs/dbraw/zinc/07/30/73/1116073073.db2.gz ZUGQZFDUSPOFLB-UHFFFAOYSA-N -1 1 367.751 4.385 20 0 FIADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000063543401 1116078529 /nfs/dbraw/zinc/07/85/29/1116078529.db2.gz BFLXHGHDRTWVTI-UHFFFAOYSA-N -1 1 361.127 4.017 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccc([C@@H]4C[C@H]4C)o3)nc2)[n-]c(=O)c1C ZINC000608080236 1116081139 /nfs/dbraw/zinc/08/11/39/1116081139.db2.gz YUZHYRGDFUWPFW-BDJLRTHQSA-N -1 1 350.422 4.190 20 0 FIADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000608365757 1116102295 /nfs/dbraw/zinc/10/22/95/1116102295.db2.gz JEDHRJAONLBPGQ-GHMZBOCLSA-N -1 1 355.287 4.172 20 0 FIADMM O=C(COc1ccccc1OCc1ccccc1)Nc1c([O-])cccc1F ZINC000608365799 1116102461 /nfs/dbraw/zinc/10/24/61/1116102461.db2.gz ROLMNABGYCRKTD-UHFFFAOYSA-N -1 1 367.376 4.128 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000608366339 1116102495 /nfs/dbraw/zinc/10/24/95/1116102495.db2.gz SBPHQBWLLNTHKT-UHFFFAOYSA-N -1 1 366.179 4.276 20 0 FIADMM O=C(Nc1c([O-])cccc1F)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000608366546 1116102609 /nfs/dbraw/zinc/10/26/09/1116102609.db2.gz MJPWDZVBYKFOBB-UHFFFAOYSA-N -1 1 354.259 4.164 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(C2CCCC2)CC1 ZINC000608475341 1116109386 /nfs/dbraw/zinc/10/93/86/1116109386.db2.gz ZDTFNGDYCDCADW-UHFFFAOYSA-N -1 1 352.272 4.197 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(C2CCCC2)CC1 ZINC000608475256 1116109431 /nfs/dbraw/zinc/10/94/31/1116109431.db2.gz RENSXCMUOVTEOL-UHFFFAOYSA-N -1 1 352.272 4.197 20 0 FIADMM CC(C)(C)C1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000516576352 1116159137 /nfs/dbraw/zinc/15/91/37/1116159137.db2.gz QIFRGTFXNHYWSM-OAHLLOKOSA-N -1 1 372.278 4.472 20 0 FIADMM O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc2oc3ccccc3c2c1 ZINC000534318071 1116183968 /nfs/dbraw/zinc/18/39/68/1116183968.db2.gz SWQGMBXYRCLBSA-UHFFFAOYSA-N -1 1 357.362 4.232 20 0 FIADMM CCCc1nc2ccccc2n1CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456792084 1116218758 /nfs/dbraw/zinc/21/87/58/1116218758.db2.gz ZWFVRDMUEJNDRT-UHFFFAOYSA-N -1 1 359.376 4.001 20 0 FIADMM O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)c1c(F)ccc([O-])c1F ZINC000457104685 1116248415 /nfs/dbraw/zinc/24/84/15/1116248415.db2.gz YIVRNEWRRKLVQB-AAEUAGOBSA-N -1 1 351.780 4.390 20 0 FIADMM Cc1ccc(NC(=O)[C@H](C)C2CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000457453512 1116279959 /nfs/dbraw/zinc/27/99/59/1116279959.db2.gz KWTKTRWDPSNDFK-OAHLLOKOSA-N -1 1 372.490 4.171 20 0 FIADMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000462412389 1116347650 /nfs/dbraw/zinc/34/76/50/1116347650.db2.gz GFWUCSXGCKZZOH-QMMMGPOBSA-N -1 1 374.717 4.129 20 0 FIADMM Cc1ccc2c(c1)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C[C@@H](C)O2 ZINC000539627931 1116356378 /nfs/dbraw/zinc/35/63/78/1116356378.db2.gz QDXNBWMYINXDAH-LLVKDONJSA-N -1 1 351.324 4.147 20 0 FIADMM Cc1noc(-c2ccc(C)c(NC(=O)c3ccc4ccccc4c3[O-])c2)n1 ZINC000539841797 1116389392 /nfs/dbraw/zinc/38/93/92/1116389392.db2.gz SPVROVQBQWZBPV-UHFFFAOYSA-N -1 1 359.385 4.465 20 0 FIADMM CN1CCCN(C(=O)c2ccc3ccccc3c2[O-])c2ccc(F)cc21 ZINC000539881619 1116396271 /nfs/dbraw/zinc/39/62/71/1116396271.db2.gz MIEJXAYXAVYKTE-UHFFFAOYSA-N -1 1 350.393 4.171 20 0 FIADMM CC(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000462901666 1117848934 /nfs/dbraw/zinc/84/89/34/1117848934.db2.gz IRWWAYATCJFFQP-HNNXBMFYSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1nc(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)[n-]c(=O)c1C ZINC000540711889 1118209674 /nfs/dbraw/zinc/20/96/74/1118209674.db2.gz AZQPXTNWMNCRAY-JTQLQIEISA-N -1 1 362.842 4.356 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 ZINC000540901747 1118303743 /nfs/dbraw/zinc/30/37/43/1118303743.db2.gz PFQXXZTWHMVHDA-UHFFFAOYSA-N -1 1 356.834 4.107 20 0 FIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c2C1 ZINC000541007235 1118342492 /nfs/dbraw/zinc/34/24/92/1118342492.db2.gz KKBJFJLKJJPSOX-UHFFFAOYSA-N -1 1 358.507 4.336 20 0 FIADMM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)c1 ZINC000541526793 1118544166 /nfs/dbraw/zinc/54/41/66/1118544166.db2.gz MIPSBICEKFNPPE-OAHLLOKOSA-N -1 1 374.278 4.401 20 0 FIADMM O=C(CCn1c2ccccc2nc1C1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000541887437 1118696925 /nfs/dbraw/zinc/69/69/25/1118696925.db2.gz LMOMKJUDGZXFMK-UHFFFAOYSA-N -1 1 355.825 4.302 20 0 FIADMM CCCn1c(C)cc(-c2csc([N-]C(=O)c3nnc(C4CC4)o3)n2)c1C ZINC000913787749 1119001940 /nfs/dbraw/zinc/00/19/40/1119001940.db2.gz KFPWGKDPIIMGCF-UHFFFAOYSA-N -1 1 371.466 4.151 20 0 FIADMM Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000175836996 1119235882 /nfs/dbraw/zinc/23/58/82/1119235882.db2.gz FYVLTZIAKGANQR-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1cscc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000175989446 1119248801 /nfs/dbraw/zinc/24/88/01/1119248801.db2.gz MDRCRJBSJUXZMA-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC2CCCC2)c1 ZINC000031146084 1119300631 /nfs/dbraw/zinc/30/06/31/1119300631.db2.gz OQGXXIYNQRAKNN-UHFFFAOYSA-N -1 1 372.538 4.393 20 0 FIADMM COc1cccc([C@@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182928249 1119562951 /nfs/dbraw/zinc/56/29/51/1119562951.db2.gz SICRZPKSTWFBNG-LLVKDONJSA-N -1 1 364.239 4.214 20 0 FIADMM COc1cccc(Cl)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182917812 1119563021 /nfs/dbraw/zinc/56/30/21/1119563021.db2.gz XXOBFKOFTWUHJX-UHFFFAOYSA-N -1 1 370.630 4.377 20 0 FIADMM O=C(Cc1n[nH]c2ccccc21)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000182977953 1119564046 /nfs/dbraw/zinc/56/40/46/1119564046.db2.gz PETFFLZEPAHRDM-UHFFFAOYSA-N -1 1 370.623 4.410 20 0 FIADMM CC(C)C[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000184499493 1119611923 /nfs/dbraw/zinc/61/19/23/1119611923.db2.gz ZGQMLDQYUSXFJN-HNNXBMFYSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1c(=O)[n-]c(SCc2nc(CCC(C)C)no2)nc1-c1ccccc1 ZINC000185053257 1119638265 /nfs/dbraw/zinc/63/82/65/1119638265.db2.gz JKLRQGMKGRMPHA-UHFFFAOYSA-N -1 1 370.478 4.009 20 0 FIADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccc(Cl)o1 ZINC000186104634 1119705545 /nfs/dbraw/zinc/70/55/45/1119705545.db2.gz XNOSVJCWELSHHW-UHFFFAOYSA-N -1 1 358.181 4.496 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2[nH]1 ZINC000189248433 1119874551 /nfs/dbraw/zinc/87/45/51/1119874551.db2.gz DGSPACVLDFWAHO-UHFFFAOYSA-N -1 1 368.380 4.382 20 0 FIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189281436 1119882932 /nfs/dbraw/zinc/88/29/32/1119882932.db2.gz CSSJOLATRJHOIK-UHFFFAOYSA-N -1 1 373.396 4.129 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3)s2)[n-]c1=O ZINC000189431992 1119894874 /nfs/dbraw/zinc/89/48/74/1119894874.db2.gz QWIUCJNAPAJGAM-ACCUITESSA-N -1 1 366.442 4.236 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccccc2Br)CC1 ZINC000190818352 1119950281 /nfs/dbraw/zinc/95/02/81/1119950281.db2.gz GRJPBPZDZPWRHB-UHFFFAOYSA-N -1 1 366.642 4.478 20 0 FIADMM CC[C@H](C)NC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190951466 1119955433 /nfs/dbraw/zinc/95/54/33/1119955433.db2.gz KFUPEDSDISLRJM-NSHDSACASA-N -1 1 361.829 4.218 20 0 FIADMM Cc1ccnc(-c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2)n1 ZINC000190962862 1119956101 /nfs/dbraw/zinc/95/61/01/1119956101.db2.gz CWSHFHRSJJHTGP-UHFFFAOYSA-N -1 1 354.797 4.455 20 0 FIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3snnc3C(C)(C)C)s2)c1 ZINC000191421207 1119976318 /nfs/dbraw/zinc/97/63/18/1119976318.db2.gz PYDLVVQVNJZKQB-UHFFFAOYSA-N -1 1 373.507 4.223 20 0 FIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc21 ZINC000195730737 1120224903 /nfs/dbraw/zinc/22/49/03/1120224903.db2.gz OSJMDLYGOMTYAT-UHFFFAOYSA-N -1 1 357.479 4.056 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000194729883 1120297930 /nfs/dbraw/zinc/29/79/30/1120297930.db2.gz KBCZGYZXJTVZJL-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM Cc1cnc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)c([O-])c1 ZINC000494818677 1120312530 /nfs/dbraw/zinc/31/25/30/1120312530.db2.gz LOIFSVQTJQJCHT-UHFFFAOYSA-N -1 1 350.393 4.077 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1C ZINC000227870562 1120406633 /nfs/dbraw/zinc/40/66/33/1120406633.db2.gz YLRDIZDTRCLLOS-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)s1 ZINC000229583810 1120506797 /nfs/dbraw/zinc/50/67/97/1120506797.db2.gz KUSQRZRWHJXQPA-UHFFFAOYSA-N -1 1 364.261 4.013 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231657533 1120637056 /nfs/dbraw/zinc/63/70/56/1120637056.db2.gz GULHPYOTTHBNAE-UHFFFAOYSA-N -1 1 372.259 4.342 20 0 FIADMM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000003259415 1120653486 /nfs/dbraw/zinc/65/34/86/1120653486.db2.gz JFYJUEUIVWPAHR-UHFFFAOYSA-N -1 1 359.397 4.356 20 0 FIADMM CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC001290758358 1120690992 /nfs/dbraw/zinc/69/09/92/1120690992.db2.gz RXOFLQPHJKOYJP-UHFFFAOYSA-N -1 1 368.658 4.470 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000762422460 1120905337 /nfs/dbraw/zinc/90/53/37/1120905337.db2.gz GYMDBYFIJFRKBH-UHFFFAOYSA-N -1 1 372.425 4.129 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1 ZINC000028260841 1121019969 /nfs/dbraw/zinc/01/99/69/1121019969.db2.gz MSROFJHTTBGSDE-UHFFFAOYSA-N -1 1 359.447 4.011 20 0 FIADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 ZINC000322705435 1121099702 /nfs/dbraw/zinc/09/97/02/1121099702.db2.gz RGCKXZNLQGOKOT-UHFFFAOYSA-N -1 1 367.780 4.006 20 0 FIADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000032586204 1121110929 /nfs/dbraw/zinc/11/09/29/1121110929.db2.gz LVLMRFWRJRIWKV-UHFFFAOYSA-N -1 1 361.797 4.359 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000032592427 1121111096 /nfs/dbraw/zinc/11/10/96/1121111096.db2.gz KTRVACIOINICRY-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000032586147 1121111485 /nfs/dbraw/zinc/11/14/85/1121111485.db2.gz GMKXSFJLVDQFJJ-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ncccc1[O-] ZINC001626053669 1121178861 /nfs/dbraw/zinc/17/88/61/1121178861.db2.gz FMXBHOLNGHESMW-KRWDZBQOSA-N -1 1 356.784 4.099 20 0 FIADMM CSc1ccccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043318761 1121193042 /nfs/dbraw/zinc/19/30/42/1121193042.db2.gz QDYSIHZCGJLXLL-UHFFFAOYSA-N -1 1 370.474 4.241 20 0 FIADMM CC(C)c1csc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000043601433 1121201979 /nfs/dbraw/zinc/20/19/79/1121201979.db2.gz GRZMZEPSTUPODX-UHFFFAOYSA-N -1 1 373.478 4.099 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc(Cl)c1[O-] ZINC000496738927 1121519225 /nfs/dbraw/zinc/51/92/25/1121519225.db2.gz RFIBOKXHEFNBCX-GFCCVEGCSA-N -1 1 366.244 4.337 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000037574575 1121582270 /nfs/dbraw/zinc/58/22/70/1121582270.db2.gz JXSFOOBMOFHNBX-UHFFFAOYSA-N -1 1 372.259 4.260 20 0 FIADMM Cc1cccc(C)c1OCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000497019839 1121599932 /nfs/dbraw/zinc/59/99/32/1121599932.db2.gz SWYQPWUGEOHSHU-UHFFFAOYSA-N -1 1 374.506 4.242 20 0 FIADMM Cc1cccc(C)c1OCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000497019839 1121599940 /nfs/dbraw/zinc/59/99/40/1121599940.db2.gz SWYQPWUGEOHSHU-UHFFFAOYSA-N -1 1 374.506 4.242 20 0 FIADMM Cc1cccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1C ZINC000068435741 1121826425 /nfs/dbraw/zinc/82/64/25/1121826425.db2.gz UMODSJSVASJNIH-UHFFFAOYSA-N -1 1 358.511 4.158 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000068435528 1121826793 /nfs/dbraw/zinc/82/67/93/1121826793.db2.gz ANUREGBMVNTHQJ-UHFFFAOYSA-N -1 1 350.532 4.198 20 0 FIADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000068446577 1121828731 /nfs/dbraw/zinc/82/87/31/1121828731.db2.gz IDOLSIPFTVCOFQ-UHFFFAOYSA-N -1 1 364.902 4.195 20 0 FIADMM CC[C@H](CC(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1)c1ccccc1 ZINC000068451986 1121828817 /nfs/dbraw/zinc/82/88/17/1121828817.db2.gz ALYMKKYDFWRKEQ-OAHLLOKOSA-N -1 1 372.538 4.250 20 0 FIADMM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(Br)c([O-])c1 ZINC000126999428 1122033611 /nfs/dbraw/zinc/03/36/11/1122033611.db2.gz AKEDXUVEZXJQOA-UHFFFAOYSA-N -1 1 360.207 4.173 20 0 FIADMM C[C@H](Nc1ccc(CCO)cc1)c1cc(Br)cc(F)c1[O-] ZINC000186352289 1122045713 /nfs/dbraw/zinc/04/57/13/1122045713.db2.gz JNVUVMUZQHBPSQ-JTQLQIEISA-N -1 1 354.219 4.002 20 0 FIADMM c1nn(Cc2ccccc2)cc1[N-]c1nn2cc(-c3ccccc3)nc2s1 ZINC000917091727 1122117015 /nfs/dbraw/zinc/11/70/15/1122117015.db2.gz DJPGFRQWPYTBIO-UHFFFAOYSA-N -1 1 372.457 4.446 20 0 FIADMM CCOCc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC ZINC000497508126 1122259836 /nfs/dbraw/zinc/25/98/36/1122259836.db2.gz XSCCMNJBCYQSON-UHFFFAOYSA-N -1 1 370.474 4.488 20 0 FIADMM CCc1nc2cc(NCc3cc(=O)oc4cc([O-])c(CC)cc34)ccc2o1 ZINC000917941552 1122486753 /nfs/dbraw/zinc/48/67/53/1122486753.db2.gz XPISEXNACTWYGV-UHFFFAOYSA-N -1 1 364.401 4.377 20 0 FIADMM CC(C)c1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c(C(C)C)c1 ZINC000918728719 1122763171 /nfs/dbraw/zinc/76/31/71/1122763171.db2.gz YOFTWMNLGMLOFD-UHFFFAOYSA-N -1 1 373.474 4.405 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccc(Cl)s1 ZINC000130498172 1122853555 /nfs/dbraw/zinc/85/35/55/1122853555.db2.gz JUWXNFSBDYDUMS-UHFFFAOYSA-N -1 1 370.652 4.104 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1 ZINC000073853666 1123251538 /nfs/dbraw/zinc/25/15/38/1123251538.db2.gz LOGXAGFWWKWXBZ-UHFFFAOYSA-N -1 1 357.353 4.017 20 0 FIADMM CCc1nc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)c(C)o1 ZINC000499179836 1123310624 /nfs/dbraw/zinc/31/06/24/1123310624.db2.gz GNKFQJUJZWUQBP-UHFFFAOYSA-N -1 1 360.464 4.109 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000499273199 1123402899 /nfs/dbraw/zinc/40/28/99/1123402899.db2.gz MYVBZMPRTFBGRX-UHFFFAOYSA-N -1 1 369.229 4.449 20 0 FIADMM O=C(c1c([O-])cccc1Cl)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000920455013 1123459898 /nfs/dbraw/zinc/45/98/98/1123459898.db2.gz QUGGTNAOGQNMET-UHFFFAOYSA-N -1 1 361.228 4.379 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1 ZINC000174907443 1123576638 /nfs/dbraw/zinc/57/66/38/1123576638.db2.gz FRMSTVYBKXYOHM-GOEBONIOSA-N -1 1 372.538 4.247 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1 ZINC000134690491 1123661886 /nfs/dbraw/zinc/66/18/86/1123661886.db2.gz USWYAAVPTMYVCX-UHFFFAOYSA-N -1 1 356.447 4.403 20 0 FIADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cn1 ZINC000135664458 1123785936 /nfs/dbraw/zinc/78/59/36/1123785936.db2.gz SNXCGFZTXGENAW-UHFFFAOYSA-N -1 1 368.673 4.225 20 0 FIADMM CCc1nnc([N-]C(=O)c2ccc(-c3nc4ccccc4s3)o2)s1 ZINC000007814596 1123859958 /nfs/dbraw/zinc/85/99/58/1123859958.db2.gz YMWJMNBTOBDWEA-UHFFFAOYSA-N -1 1 356.432 4.223 20 0 FIADMM O=C(N[C@@H]1CCCc2sccc21)c1ccc(Br)c([O-])c1 ZINC000137405724 1123971393 /nfs/dbraw/zinc/97/13/93/1123971393.db2.gz XGWOLPICKGMABA-GFCCVEGCSA-N -1 1 352.253 4.024 20 0 FIADMM CSc1ccc([O-])c(C(=O)N2C[C@H]3CCCCN3c3ccccc32)c1 ZINC000615385602 1123999323 /nfs/dbraw/zinc/99/93/23/1123999323.db2.gz YSFZXAOLWKXDMN-CQSZACIVSA-N -1 1 354.475 4.133 20 0 FIADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068072609 1124029489 /nfs/dbraw/zinc/02/94/89/1124029489.db2.gz OIALVFJOLNTKBG-UHFFFAOYSA-N -1 1 360.414 4.190 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)no2)n[n-]1 ZINC001212429712 1124223249 /nfs/dbraw/zinc/22/32/49/1124223249.db2.gz MOWLXLLENZNHSP-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)no2)[n-]n1 ZINC001212429712 1124223256 /nfs/dbraw/zinc/22/32/56/1124223256.db2.gz MOWLXLLENZNHSP-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(C(F)(F)F)ccc3Cl)no2)n[n-]1 ZINC001212429959 1124226006 /nfs/dbraw/zinc/22/60/06/1124226006.db2.gz RWNDMCDLEZBNLV-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3cc(C(F)(F)F)ccc3Cl)no2)[n-]n1 ZINC001212429959 1124226011 /nfs/dbraw/zinc/22/60/11/1124226011.db2.gz RWNDMCDLEZBNLV-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM C[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000616986790 1124420522 /nfs/dbraw/zinc/42/05/22/1124420522.db2.gz HYWVPPWZKLEQGF-HNNXBMFYSA-N -1 1 369.436 4.146 20 0 FIADMM C[C@H](CC(=O)Nc1ccc(Br)c([O-])c1)c1ccccc1F ZINC001116757647 1124598211 /nfs/dbraw/zinc/59/82/11/1124598211.db2.gz HORZYKBLSVSGLL-SNVBAGLBSA-N -1 1 352.203 4.426 20 0 FIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@H]1c1cccs1 ZINC000069371804 1124830467 /nfs/dbraw/zinc/83/04/67/1124830467.db2.gz TVNYSONQCNKMAB-ZDUSSCGKSA-N -1 1 362.549 4.449 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000196420409 1124946670 /nfs/dbraw/zinc/94/66/70/1124946670.db2.gz OHZQVJKVINWDFX-UHFFFAOYSA-N -1 1 353.443 4.375 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618109203 1125081356 /nfs/dbraw/zinc/08/13/56/1125081356.db2.gz FPBSCWUBLWXPAU-FQEVSTJZSA-N -1 1 363.413 4.132 20 0 FIADMM COC(=O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1Br ZINC001214490592 1125152566 /nfs/dbraw/zinc/15/25/66/1125152566.db2.gz YHOHXOFLCGRVOW-UHFFFAOYSA-N -1 1 374.593 4.477 20 0 FIADMM CC(C)n1c(C2CCN(C(=O)C=Cc3ccc(F)cc3)CC2)n[n-]c1=S ZINC000068435354 221315455 /nfs/dbraw/zinc/31/54/55/221315455.db2.gz DKVBLWSRXACREB-VMPITWQZSA-N -1 1 374.485 4.080 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1C ZINC000097444140 222181500 /nfs/dbraw/zinc/18/15/00/222181500.db2.gz ZLCYATGUSXJBOU-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2o1 ZINC000063911794 567991903 /nfs/dbraw/zinc/99/19/03/567991903.db2.gz IGDKRAYMZOIYAV-UHFFFAOYSA-N -1 1 374.315 4.095 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000187016894 567999135 /nfs/dbraw/zinc/99/91/35/567999135.db2.gz AJIZWHRJOUAFIA-UHFFFAOYSA-N -1 1 370.499 4.195 20 0 FIADMM Cc1c(Cl)cccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043174796 568004259 /nfs/dbraw/zinc/00/42/59/568004259.db2.gz BSNOXLBZPJIFGW-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM Cc1ccc(NC(=O)CCCC2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000643230578 568037523 /nfs/dbraw/zinc/03/75/23/568037523.db2.gz YSNIRNVYAIKWDZ-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1 ZINC000604738175 568359015 /nfs/dbraw/zinc/35/90/15/568359015.db2.gz NAVWAKVJBRUFQJ-UHFFFAOYSA-N -1 1 373.474 4.402 20 0 FIADMM COc1ccc(-c2nsc([N-]C(=O)c3cc4cc(F)ccc4o3)n2)cc1 ZINC000605091152 568561604 /nfs/dbraw/zinc/56/16/04/568561604.db2.gz VLMJBFYPXHUSQR-UHFFFAOYSA-N -1 1 369.377 4.351 20 0 FIADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2)o1 ZINC000040721710 571092847 /nfs/dbraw/zinc/09/28/47/571092847.db2.gz PNMMBCLYWTZBNP-FQEVSTJZSA-N -1 1 360.413 4.213 20 0 FIADMM CCC(CC)(NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000078459232 1125533520 /nfs/dbraw/zinc/53/35/20/1125533520.db2.gz UQKJUCDVMQWWCV-UHFFFAOYSA-N -1 1 369.852 4.022 20 0 FIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)C(C)(C)C)c(=O)[n-]1 ZINC000041868614 1079528370 /nfs/dbraw/zinc/52/83/70/1079528370.db2.gz AXEYJJFCNJUWTM-KRWDZBQOSA-N -1 1 373.522 4.049 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCCc2ccccc2CC1 ZINC001648786456 1079647148 /nfs/dbraw/zinc/64/71/48/1079647148.db2.gz KPCAWQABBCQTML-UHFFFAOYSA-N -1 1 366.848 4.225 20 0 FIADMM Cc1ccc(NC(=O)C[C@@H](C)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000063688830 1079658500 /nfs/dbraw/zinc/65/85/00/1079658500.db2.gz VFSGBLMFSXSHEY-OAHLLOKOSA-N -1 1 372.490 4.171 20 0 FIADMM CCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000029450599 1079905819 /nfs/dbraw/zinc/90/58/19/1079905819.db2.gz LVIYXULPWUBXEO-INIZCTEOSA-N -1 1 374.506 4.056 20 0 FIADMM CCN(Cc1cccc(Br)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000558404978 1080074265 /nfs/dbraw/zinc/07/42/65/1080074265.db2.gz MXGKUUJGSJTOCG-UHFFFAOYSA-N -1 1 370.193 4.095 20 0 FIADMM CCC[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000036839860 1080126268 /nfs/dbraw/zinc/12/62/68/1080126268.db2.gz ROCSCUNVTSSJAE-AWEZNQCLSA-N -1 1 352.228 4.052 20 0 FIADMM CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1cnncc1[O-] ZINC001625815154 1080280170 /nfs/dbraw/zinc/28/01/70/1080280170.db2.gz UCCWDOBWJUAKGF-UHFFFAOYSA-N -1 1 371.437 4.101 20 0 FIADMM Cc1nc([N-]S(=O)(=O)c2cccc3cnccc32)c(Cl)cc1Cl ZINC000180212656 1080467032 /nfs/dbraw/zinc/46/70/32/1080467032.db2.gz HSSFBUZLYFBASF-UHFFFAOYSA-N -1 1 368.245 4.046 20 0 FIADMM CC(C)c1csc(C(C#N)=C([O-])c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000080449402 1080532276 /nfs/dbraw/zinc/53/22/76/1080532276.db2.gz NCCVVWPQHSRVEM-LLVKDONJSA-N -1 1 362.838 4.181 20 0 FIADMM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1coc(C2CCC2)n1 ZINC000683442152 1080990039 /nfs/dbraw/zinc/99/00/39/1080990039.db2.gz IZHKATYPVKNOHC-UHFFFAOYSA-N -1 1 360.826 4.366 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)c(C2CC2)cc1Cl ZINC000655601646 1081014235 /nfs/dbraw/zinc/01/42/35/1081014235.db2.gz OVLNZKARHORJNQ-UHFFFAOYSA-N -1 1 351.855 4.335 20 0 FIADMM CCOc1cc(-c2noc(-c3oc(C4CC4)nc3C)n2)cc(Cl)c1[O-] ZINC000683589638 1081180569 /nfs/dbraw/zinc/18/05/69/1081180569.db2.gz YARNTAYESQMGSY-UHFFFAOYSA-N -1 1 361.785 4.335 20 0 FIADMM COc1ccc(C)cc1[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000413395218 1081254936 /nfs/dbraw/zinc/25/49/36/1081254936.db2.gz BOJONFKCTRUWGH-OAHLLOKOSA-N -1 1 364.449 4.351 20 0 FIADMM C[C@H](CC1CCCCC1)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683851202 1081793402 /nfs/dbraw/zinc/79/34/02/1081793402.db2.gz MRFJGIDGJJLDQC-MRXNPFEDSA-N -1 1 372.509 4.355 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000580498805 1081980792 /nfs/dbraw/zinc/98/07/92/1081980792.db2.gz BIZVBAWMBOJGTR-QGZVFWFLSA-N -1 1 355.743 4.035 20 0 FIADMM COc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1F ZINC000580665453 1082071203 /nfs/dbraw/zinc/07/12/03/1082071203.db2.gz COOWEPREYYSTBI-UHFFFAOYSA-N -1 1 374.593 4.208 20 0 FIADMM Cc1ccc(C)c([C@H]2CN(CCc3ccccc3C(=O)[O-])[C@@H](C)CO2)c1 ZINC000580778451 1082135727 /nfs/dbraw/zinc/13/57/27/1082135727.db2.gz KNOOAZXWSNCHQN-LAUBAEHRSA-N -1 1 353.462 4.006 20 0 FIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000055638604 1082159296 /nfs/dbraw/zinc/15/92/96/1082159296.db2.gz FWXGTTJIWVDKIN-UHFFFAOYSA-N -1 1 366.870 4.188 20 0 FIADMM O=C(Cc1[nH]nc2ccccc21)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167440362 1082250188 /nfs/dbraw/zinc/25/01/88/1082250188.db2.gz TXWQVAWNDFVFJD-UHFFFAOYSA-N -1 1 351.793 4.256 20 0 FIADMM O=C(Cc1n[nH]c2ccccc21)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167440362 1082250193 /nfs/dbraw/zinc/25/01/93/1082250193.db2.gz TXWQVAWNDFVFJD-UHFFFAOYSA-N -1 1 351.793 4.256 20 0 FIADMM O=C([O-])c1sc2ccccc2c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000581017193 1082278805 /nfs/dbraw/zinc/27/88/05/1082278805.db2.gz NWDFCSMMBITJIH-QGZVFWFLSA-N -1 1 353.443 4.173 20 0 FIADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000558325966 1082434625 /nfs/dbraw/zinc/43/46/25/1082434625.db2.gz KXSUCYVERAOYKG-SECBINFHSA-N -1 1 359.731 4.470 20 0 FIADMM CC[C@@H](OCCSc1nc(=O)cc([O-])n1C1CCCC1)c1ccccc1 ZINC000650313153 1082504050 /nfs/dbraw/zinc/50/40/50/1082504050.db2.gz UPOBGSNDKDWGCM-QGZVFWFLSA-N -1 1 374.506 4.324 20 0 FIADMM CC[C@@H](OCCSc1nc([O-])cc(=O)n1C1CCCC1)c1ccccc1 ZINC000650313153 1082504052 /nfs/dbraw/zinc/50/40/52/1082504052.db2.gz UPOBGSNDKDWGCM-QGZVFWFLSA-N -1 1 374.506 4.324 20 0 FIADMM C[C@@H]1c2ccsc2CCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000069372375 1082512964 /nfs/dbraw/zinc/51/29/64/1082512964.db2.gz XZPWQVIQWUOYKY-LLVKDONJSA-N -1 1 362.549 4.231 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1F ZINC000313242462 1082548502 /nfs/dbraw/zinc/54/85/02/1082548502.db2.gz YPDVKONVBNFXKH-UHFFFAOYSA-N -1 1 351.296 4.093 20 0 FIADMM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000656568648 1082588919 /nfs/dbraw/zinc/58/89/19/1082588919.db2.gz KLAJAQNRUVWJTP-PBHICJAKSA-N -1 1 374.506 4.091 20 0 FIADMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)c1 ZINC000656630139 1082646074 /nfs/dbraw/zinc/64/60/74/1082646074.db2.gz XAJHMMDYRUEBJB-GFCCVEGCSA-N -1 1 365.426 4.006 20 0 FIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C=CCCC3)ccc1C ZINC000656636204 1082647699 /nfs/dbraw/zinc/64/76/99/1082647699.db2.gz XYDVYMBFZOOBSA-UHFFFAOYSA-N -1 1 370.474 4.104 20 0 FIADMM O=C(COc1ccccc1Cc1ccccc1)Nc1c([O-])cccc1F ZINC000605440249 1082702751 /nfs/dbraw/zinc/70/27/51/1082702751.db2.gz NATGGEFCORVKQK-UHFFFAOYSA-N -1 1 351.377 4.140 20 0 FIADMM CN(CCCC(=O)[O-])Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000430658055 1082894083 /nfs/dbraw/zinc/89/40/83/1082894083.db2.gz ZSTJHTYRNLXERW-UHFFFAOYSA-N -1 1 371.868 4.035 20 0 FIADMM O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc2ccc(O)cc2c1[O-] ZINC001143397506 1082911271 /nfs/dbraw/zinc/91/12/71/1082911271.db2.gz VHFXRXSAOREZQE-UHFFFAOYSA-N -1 1 372.352 4.391 20 0 FIADMM Cc1onc(C2CC2)c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000581864666 1082939035 /nfs/dbraw/zinc/93/90/35/1082939035.db2.gz WYZZSTMROXAFBT-UHFFFAOYSA-N -1 1 372.475 4.257 20 0 FIADMM Cc1nc(NC(=O)CCC2CCC2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000176053228 1083096155 /nfs/dbraw/zinc/09/61/55/1083096155.db2.gz SBINYCYMIZHQSJ-UHFFFAOYSA-N -1 1 363.512 4.226 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)oc1C ZINC000054294085 1083103310 /nfs/dbraw/zinc/10/33/10/1083103310.db2.gz SPAMIBTWMKFEAY-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000535656185 1083264240 /nfs/dbraw/zinc/26/42/40/1083264240.db2.gz VHBCOVFLUOVJKP-UHFFFAOYSA-N -1 1 371.462 4.225 20 0 FIADMM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Cl)cc1C(F)(F)F ZINC000131520485 1083385586 /nfs/dbraw/zinc/38/55/86/1083385586.db2.gz LNQPMIAPTHWFEJ-UHFFFAOYSA-N -1 1 369.723 4.004 20 0 FIADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000471958588 1083423391 /nfs/dbraw/zinc/42/33/91/1083423391.db2.gz YIVNBPVHDREFBE-UHFFFAOYSA-N -1 1 351.493 4.305 20 0 FIADMM O=c1cc(C2CC2)nc(SCc2nnc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000191505425 1083433333 /nfs/dbraw/zinc/43/33/33/1083433333.db2.gz RXANTGASGVAMEF-UHFFFAOYSA-N -1 1 360.826 4.055 20 0 FIADMM Cc1ccc(F)c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1F ZINC000535749593 1083623479 /nfs/dbraw/zinc/62/34/79/1083623479.db2.gz UXOCMSCYLJTLBO-UHFFFAOYSA-N -1 1 363.364 4.107 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c2cccnc12 ZINC000684608569 1083734146 /nfs/dbraw/zinc/73/41/46/1083734146.db2.gz YUKZHGMLTDQLRK-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CCCC[C@@H](CCC)CNC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000177294156 1083837054 /nfs/dbraw/zinc/83/70/54/1083837054.db2.gz LMYLVZQBIDNVEC-CYBMUJFWSA-N -1 1 366.556 4.392 20 0 FIADMM COc1c(C)cc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1C ZINC000471991571 1083943156 /nfs/dbraw/zinc/94/31/56/1083943156.db2.gz JECKPGPMQNCCPA-UHFFFAOYSA-N -1 1 351.493 4.143 20 0 FIADMM CCOc1ccc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000685815457 1084177501 /nfs/dbraw/zinc/17/75/01/1084177501.db2.gz FXCUAXJFFDRWJC-GFCCVEGCSA-N -1 1 363.841 4.334 20 0 FIADMM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([O-])cc1F ZINC000414020046 1084293076 /nfs/dbraw/zinc/29/30/76/1084293076.db2.gz OEUPELGWUJJFMP-CQSZACIVSA-N -1 1 372.440 4.028 20 0 FIADMM CCc1noc(C)c1[N-]C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000544088950 1084301951 /nfs/dbraw/zinc/30/19/51/1084301951.db2.gz USEFXSUEXVLPFH-UHFFFAOYSA-N -1 1 365.311 4.472 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cccc(F)c1F ZINC000536460824 1084355113 /nfs/dbraw/zinc/35/51/13/1084355113.db2.gz YRHCTDNJXQSJNQ-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM C/C(=C/C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CC1 ZINC000255883316 1084359654 /nfs/dbraw/zinc/35/96/54/1084359654.db2.gz PUGPCMLMCBCYLX-XFXZXTDPSA-N -1 1 366.442 4.463 20 0 FIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000121761078 1084491243 /nfs/dbraw/zinc/49/12/43/1084491243.db2.gz CDVFPAILDOCZGH-OLZOCXBDSA-N -1 1 364.540 4.144 20 0 FIADMM Cc1oc(CN(C)CCOc2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC000582067794 1084561345 /nfs/dbraw/zinc/56/13/45/1084561345.db2.gz KDXJWUWZPIJNPS-UHFFFAOYSA-N -1 1 358.221 4.104 20 0 FIADMM CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCCC1 ZINC000548683744 1084659118 /nfs/dbraw/zinc/65/91/18/1084659118.db2.gz AAZHNJTYVMBSIB-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000174549050 1084786794 /nfs/dbraw/zinc/78/67/94/1084786794.db2.gz LZDLMJHROFBPFH-CYBMUJFWSA-N -1 1 370.474 4.372 20 0 FIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000582333647 1084874401 /nfs/dbraw/zinc/87/44/01/1084874401.db2.gz ZPDBGXZDMXOYLJ-UHFFFAOYSA-N -1 1 365.373 4.156 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000176662470 1084900923 /nfs/dbraw/zinc/90/09/23/1084900923.db2.gz IAXLOELNTLKGHK-ZBFHGGJFSA-N -1 1 372.538 4.247 20 0 FIADMM CCc1nc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)[n-]c(=O)c1C ZINC000582371212 1084913489 /nfs/dbraw/zinc/91/34/89/1084913489.db2.gz QQZPKOWAWVSYPN-LBPRGKRZSA-N -1 1 356.451 4.265 20 0 FIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(C(F)F)cc1 ZINC000582442083 1084998972 /nfs/dbraw/zinc/99/89/72/1084998972.db2.gz FACAOEJMQDBGRP-UHFFFAOYSA-N -1 1 366.433 4.415 20 0 FIADMM COc1ccc([C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C2CC2)cc1 ZINC000684870606 1084999607 /nfs/dbraw/zinc/99/96/07/1084999607.db2.gz LRMMCIUBQZNBHJ-QGZVFWFLSA-N -1 1 365.351 4.301 20 0 FIADMM CC(C)(C)c1csc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC000684872905 1085007143 /nfs/dbraw/zinc/00/71/43/1085007143.db2.gz BPXKWUGACZEHLD-UHFFFAOYSA-N -1 1 358.385 4.095 20 0 FIADMM COc1ccc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)C2)cc1 ZINC000684873109 1085007266 /nfs/dbraw/zinc/00/72/66/1085007266.db2.gz TZKXRYTZYSJCAW-CQSZACIVSA-N -1 1 365.351 4.049 20 0 FIADMM COc1ccc(OC(C)C)c(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684873918 1085010463 /nfs/dbraw/zinc/01/04/63/1085010463.db2.gz OFGMICHYHDMZQF-UHFFFAOYSA-N -1 1 369.339 4.459 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000511128871 1085023442 /nfs/dbraw/zinc/02/34/42/1085023442.db2.gz CDAVOVQXPIKCHT-UHFFFAOYSA-N -1 1 372.421 4.376 20 0 FIADMM O=C1c2ccccc2N[C@@H](c2cc(F)c([O-])c(F)c2)N1Cc1ccco1 ZINC000175926634 1085038900 /nfs/dbraw/zinc/03/89/00/1085038900.db2.gz FCCKXQSNXSMIRY-GOSISDBHSA-N -1 1 356.328 4.030 20 0 FIADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176675791 1085061585 /nfs/dbraw/zinc/06/15/85/1085061585.db2.gz HJHBNIDSBOHLHP-NEPJUHHUSA-N -1 1 364.540 4.000 20 0 FIADMM CC(C)(CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C1=CCCC1 ZINC000653324666 1085170170 /nfs/dbraw/zinc/17/01/70/1085170170.db2.gz ORBLHCCYYIVGNX-UHFFFAOYSA-N -1 1 370.493 4.133 20 0 FIADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccccc1 ZINC000431462017 1085237759 /nfs/dbraw/zinc/23/77/59/1085237759.db2.gz XNBVSFCAWQZWRK-UHFFFAOYSA-N -1 1 371.028 4.170 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc2ncccc2c1 ZINC000432208251 1085259886 /nfs/dbraw/zinc/25/98/86/1085259886.db2.gz NVVPAKWVHNTBBR-UHFFFAOYSA-N -1 1 365.414 4.054 20 0 FIADMM Cc1ccc2c(c1Br)CN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC001167774120 1085333297 /nfs/dbraw/zinc/33/32/97/1085333297.db2.gz BZVNREDRYUFAOD-UHFFFAOYSA-N -1 1 366.642 4.273 20 0 FIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1c(Cl)cc(F)cc1Cl ZINC000431477228 1085473125 /nfs/dbraw/zinc/47/31/25/1085473125.db2.gz LNJYEJDXYBCJRU-UHFFFAOYSA-N -1 1 360.119 4.255 20 0 FIADMM CCc1nnc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)s1 ZINC000648173410 1085521080 /nfs/dbraw/zinc/52/10/80/1085521080.db2.gz CDHIXSCBNJOPAG-UHFFFAOYSA-N -1 1 355.435 4.133 20 0 FIADMM CC(C)CCN1Cc2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2C1 ZINC000076393116 1085567369 /nfs/dbraw/zinc/56/73/69/1085567369.db2.gz UGTDFNSZSQPLMC-UHFFFAOYSA-N -1 1 372.509 4.412 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1F ZINC000048652795 1085913572 /nfs/dbraw/zinc/91/35/72/1085913572.db2.gz ZBLPFFZDKKWQKV-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000432275321 1086011381 /nfs/dbraw/zinc/01/13/81/1086011381.db2.gz BTDXATHSFVHYJG-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM COc1ccc2ccccc2c1-c1cc(CN(CC(=O)[O-])CC(C)C)on1 ZINC000652457545 1086074183 /nfs/dbraw/zinc/07/41/83/1086074183.db2.gz WVWQJSXVWFEAPM-UHFFFAOYSA-N -1 1 368.433 4.046 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000652496874 1086120932 /nfs/dbraw/zinc/12/09/32/1086120932.db2.gz FVDYHQKJJBIFBJ-RDTXWAMCSA-N -1 1 358.507 4.476 20 0 FIADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000652499529 1086134703 /nfs/dbraw/zinc/13/47/03/1086134703.db2.gz ANCVJHLXHUKFHR-INIZCTEOSA-N -1 1 358.507 4.057 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2c(Cl)nccc2C(F)(F)F)s1 ZINC000123595874 1086270753 /nfs/dbraw/zinc/27/07/53/1086270753.db2.gz LBKIUQXQKOKERY-UHFFFAOYSA-N -1 1 364.780 4.200 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000028259990 1086308169 /nfs/dbraw/zinc/30/81/69/1086308169.db2.gz RIDNQVAHHWBSAN-UHFFFAOYSA-N -1 1 359.447 4.011 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2C)n1 ZINC000150798506 1086331082 /nfs/dbraw/zinc/33/10/82/1086331082.db2.gz BHFKYEGRYZELGE-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)c2ccco2)c1 ZINC000075429862 1086774109 /nfs/dbraw/zinc/77/41/09/1086774109.db2.gz IIYUQIOGCGXWCA-CQSZACIVSA-N -1 1 370.478 4.119 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Br)s1 ZINC000048440755 1086798888 /nfs/dbraw/zinc/79/88/88/1086798888.db2.gz PIQGRNVZBVQSNO-UHFFFAOYSA-N -1 1 360.298 4.182 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000135962809 1087547921 /nfs/dbraw/zinc/54/79/21/1087547921.db2.gz PCSKFYXGJPPCSG-ZDUSSCGKSA-N -1 1 357.435 4.051 20 0 FIADMM O=C(NCCc1ccc(-c2ccccc2)cc1)c1c(F)ccc([O-])c1F ZINC000685448898 1087570707 /nfs/dbraw/zinc/57/07/07/1087570707.db2.gz ORGKXZXZEVKZSF-UHFFFAOYSA-N -1 1 353.368 4.310 20 0 FIADMM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1)c1c(F)ccc([O-])c1F ZINC000685483359 1087581299 /nfs/dbraw/zinc/58/12/99/1087581299.db2.gz SWOFGPLYRLHTFN-UHFFFAOYSA-N -1 1 373.403 4.114 20 0 FIADMM O=C([O-])c1ccc(NS(=O)(=O)c2csc3ccccc32)cc1Cl ZINC000504586775 1087739459 /nfs/dbraw/zinc/73/94/59/1087739459.db2.gz OTWOSSNDGSRQMF-UHFFFAOYSA-N -1 1 367.835 4.054 20 0 FIADMM Cc1ccc(-c2nc(CCNC(=O)c3cc4ccccc4cc3[O-])co2)cc1 ZINC000110012408 1087752308 /nfs/dbraw/zinc/75/23/08/1087752308.db2.gz BHICQXWKZFMVIO-UHFFFAOYSA-N -1 1 372.424 4.481 20 0 FIADMM O=C(Nc1ccc(Oc2cccnn2)cc1)c1ccc2ccc(O)cc2c1[O-] ZINC001167953260 1087895741 /nfs/dbraw/zinc/89/57/41/1087895741.db2.gz WPJHVAIQRANKPM-UHFFFAOYSA-N -1 1 373.368 4.086 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1Cl ZINC000424411522 1087981523 /nfs/dbraw/zinc/98/15/23/1087981523.db2.gz KTEQBORCJWBVAC-XPTSAGLGSA-N -1 1 360.679 4.096 20 0 FIADMM CCOc1cc(C(=O)N[C@H](C)Cc2ccc(C)s2)cc(Cl)c1[O-] ZINC000186824316 1087998166 /nfs/dbraw/zinc/99/81/66/1087998166.db2.gz XGKXKDXAZCPVMT-SNVBAGLBSA-N -1 1 353.871 4.175 20 0 FIADMM CCOc1cc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cc(Cl)c1[O-] ZINC000186834189 1088002923 /nfs/dbraw/zinc/00/29/23/1088002923.db2.gz IFGNRVVMGJPTHO-JTQLQIEISA-N -1 1 365.788 4.011 20 0 FIADMM CCOc1cc(C(=O)NC[C@H](C)Cc2cccs2)cc(Cl)c1[O-] ZINC000186833952 1088002951 /nfs/dbraw/zinc/00/29/51/1088002951.db2.gz ODCMWQRMVJDUKC-LLVKDONJSA-N -1 1 353.871 4.114 20 0 FIADMM CCOc1cc(C(=O)N[C@H](c2ncc(C)s2)C2CC2)cc(Cl)c1[O-] ZINC000186834317 1088005239 /nfs/dbraw/zinc/00/52/39/1088005239.db2.gz SOGONWDJMPULPN-AWEZNQCLSA-N -1 1 366.870 4.090 20 0 FIADMM O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000549970976 1088393419 /nfs/dbraw/zinc/39/34/19/1088393419.db2.gz JTGCBTQABMYSFR-UHFFFAOYSA-N -1 1 359.838 4.167 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1C ZINC000513819517 1088415840 /nfs/dbraw/zinc/41/58/40/1088415840.db2.gz YGZNEEZSDLZATC-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180494623 1088774840 /nfs/dbraw/zinc/77/48/40/1088774840.db2.gz UHTIXWWNSPIIOV-YVEFUNNKSA-N -1 1 365.351 4.013 20 0 FIADMM O=C(c1ccc([O-])cc1F)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000181150173 1088783343 /nfs/dbraw/zinc/78/33/43/1088783343.db2.gz YLDAFWVPXOQDKD-UHFFFAOYSA-N -1 1 374.799 4.346 20 0 FIADMM CCCc1nc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cs1 ZINC000659797031 1088876561 /nfs/dbraw/zinc/87/65/61/1088876561.db2.gz HQLXJQNJQVMBFQ-CVEARBPZSA-N -1 1 364.898 4.049 20 0 FIADMM CCCN(C(=O)c1ncc2ccccc2c1[O-])[C@H]1CCCc2cccnc21 ZINC000613626571 1088974594 /nfs/dbraw/zinc/97/45/94/1088974594.db2.gz KZZKRFDARFKIFQ-SFHVURJKSA-N -1 1 361.445 4.265 20 0 FIADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613664057 1089239521 /nfs/dbraw/zinc/23/95/21/1089239521.db2.gz BQIYBNREYOHNGN-GFCCVEGCSA-N -1 1 371.824 4.150 20 0 FIADMM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613665717 1089253233 /nfs/dbraw/zinc/25/32/33/1089253233.db2.gz VVXYTSWMJKRKNA-UHFFFAOYSA-N -1 1 362.216 4.270 20 0 FIADMM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613667191 1089258639 /nfs/dbraw/zinc/25/86/39/1089258639.db2.gz LOGYSWVYSYEBJX-UHFFFAOYSA-N -1 1 362.364 4.030 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Oc2ccccc2)nc1 ZINC000613668287 1089271188 /nfs/dbraw/zinc/27/11/88/1089271188.db2.gz DQCROOOQXPACLN-UHFFFAOYSA-N -1 1 372.384 4.222 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2ccc(Cl)cc2[nH]1 ZINC000613668049 1089272230 /nfs/dbraw/zinc/27/22/30/1089272230.db2.gz PYZFNXBRTWTYQT-UHFFFAOYSA-N -1 1 352.781 4.169 20 0 FIADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000092929538 1089300075 /nfs/dbraw/zinc/30/00/75/1089300075.db2.gz XYMLPXZZCJEGEQ-OAHLLOKOSA-N -1 1 361.800 4.062 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000435204112 1089423260 /nfs/dbraw/zinc/42/32/60/1089423260.db2.gz UYVSQVFMPQKKCP-UHFFFAOYSA-N -1 1 372.412 4.135 20 0 FIADMM CCOc1cc(-c2noc([C@H]3C[C@H]3C3CC3)n2)cc(Br)c1[O-] ZINC000514773359 1089457385 /nfs/dbraw/zinc/45/73/85/1089457385.db2.gz VXFHKCBLEBAVOX-QWRGUYRKSA-N -1 1 365.227 4.117 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1c(Cl)cc(F)cc1Cl ZINC000435506187 1089722407 /nfs/dbraw/zinc/72/24/07/1089722407.db2.gz SWGVZMMELOWCBO-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069009 1089753695 /nfs/dbraw/zinc/75/36/95/1089753695.db2.gz WKTZOXLVIGLXMR-LIRRHRJNSA-N -1 1 355.434 4.145 20 0 FIADMM C[C@H]1C[C@@H]1c1ccc(CN(CCOc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000515069009 1089753706 /nfs/dbraw/zinc/75/37/06/1089753706.db2.gz WKTZOXLVIGLXMR-LIRRHRJNSA-N -1 1 355.434 4.145 20 0 FIADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000549372563 1089939852 /nfs/dbraw/zinc/93/98/52/1089939852.db2.gz WGJLNRYWMHPODG-LDYMZIIASA-N -1 1 358.747 4.007 20 0 FIADMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1ocnc1C1CC1 ZINC000515328225 1089961607 /nfs/dbraw/zinc/96/16/07/1089961607.db2.gz OPVUYSXIRAKRTG-UHFFFAOYSA-N -1 1 352.375 4.069 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3)cc2)[n-]c1=O ZINC000188022874 1090136981 /nfs/dbraw/zinc/13/69/81/1090136981.db2.gz DBMUNQAQQKRYKA-FYWRMAATSA-N -1 1 360.413 4.174 20 0 FIADMM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266539 1090154170 /nfs/dbraw/zinc/15/41/70/1090154170.db2.gz DZJGBYFCNJJBMU-UHFFFAOYSA-N -1 1 367.158 4.092 20 0 FIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000180275198 1090182762 /nfs/dbraw/zinc/18/27/62/1090182762.db2.gz IYPHDOORXMUWEE-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000522745139 1090416533 /nfs/dbraw/zinc/41/65/33/1090416533.db2.gz GHWQLAHMXDSNDH-UHFFFAOYSA-N -1 1 367.474 4.143 20 0 FIADMM CCSCc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000511595587 1090616483 /nfs/dbraw/zinc/61/64/83/1090616483.db2.gz FTFGLAZSOGQUFW-UHFFFAOYSA-N -1 1 353.447 4.288 20 0 FIADMM CCCOc1c(Cl)cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1OCC ZINC000584593798 1090636333 /nfs/dbraw/zinc/63/63/33/1090636333.db2.gz NBEJALNRINLSLT-HIFRSBDPSA-N -1 1 369.889 4.070 20 0 FIADMM O=C([O-])Cc1ccccc1CNCc1cc(Cl)ccc1OCC1CC1 ZINC000417548111 1090921956 /nfs/dbraw/zinc/92/19/56/1090921956.db2.gz PXCCCAQDNZWTLH-UHFFFAOYSA-N -1 1 359.853 4.046 20 0 FIADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000417567727 1090929550 /nfs/dbraw/zinc/92/95/50/1090929550.db2.gz JMHLVFVBUGJFQV-GOSISDBHSA-N -1 1 355.482 4.203 20 0 FIADMM O=C([O-])CC[C@H](NCc1sccc1Br)c1ccccc1 ZINC000417590004 1090934627 /nfs/dbraw/zinc/93/46/27/1090934627.db2.gz BAIFDPYAXVMPBO-ZDUSSCGKSA-N -1 1 354.269 4.206 20 0 FIADMM Cc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(Br)c1 ZINC000417617771 1090940140 /nfs/dbraw/zinc/94/01/40/1090940140.db2.gz CLUZHGGYBQSQOO-WBVHZDCISA-N -1 1 360.251 4.160 20 0 FIADMM COc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417620527 1090941601 /nfs/dbraw/zinc/94/16/01/1090941601.db2.gz GKLBGIWQAPVRNJ-HOCLYGCPSA-N -1 1 366.244 4.405 20 0 FIADMM COc1cc(Cl)c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417624068 1090942187 /nfs/dbraw/zinc/94/21/87/1090942187.db2.gz KIQSQVMESAZDPB-CJNGLKHVSA-N -1 1 366.244 4.405 20 0 FIADMM CC(C)=CCSC[C@H](NCc1cnc(-c2ccsc2)s1)C(=O)[O-] ZINC000417624599 1090947690 /nfs/dbraw/zinc/94/76/90/1090947690.db2.gz KPNATGRFBWQVBX-AWEZNQCLSA-N -1 1 368.549 4.114 20 0 FIADMM O=C([O-])[C@@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2F)c2ccccc21 ZINC000417624655 1090947723 /nfs/dbraw/zinc/94/77/23/1090947723.db2.gz QKSQYBPYDBTGMM-ZBFHGGJFSA-N -1 1 353.315 4.247 20 0 FIADMM COc1ccc2ccccc2c1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417712854 1090968705 /nfs/dbraw/zinc/96/87/05/1090968705.db2.gz XPGFKQQYRPVVFN-UHFFFAOYSA-N -1 1 362.429 4.109 20 0 FIADMM CC(C)(C)C(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000432009523 1091545111 /nfs/dbraw/zinc/54/51/11/1091545111.db2.gz WJGCIUDEBAXNHP-UHFFFAOYSA-N -1 1 374.506 4.498 20 0 FIADMM CCSc1cccc(F)c1[N-]C(=O)c1sc([C@@H]2CCOC2)nc1C ZINC000637284195 1091783410 /nfs/dbraw/zinc/78/34/10/1091783410.db2.gz DDKOBIBZPBNJPS-LLVKDONJSA-N -1 1 366.483 4.459 20 0 FIADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000058190469 1091858387 /nfs/dbraw/zinc/85/83/87/1091858387.db2.gz RVXUDZMAAUEUOI-UHFFFAOYSA-N -1 1 360.866 4.360 20 0 FIADMM CC(C)(C)c1cnc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)s1 ZINC000279625570 1091947310 /nfs/dbraw/zinc/94/73/10/1091947310.db2.gz UEHLQTUETFXYSS-ZDUSSCGKSA-N -1 1 356.451 4.112 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(Cl)ccc1Br)c1cccs1 ZINC000097498567 1091965637 /nfs/dbraw/zinc/96/56/37/1091965637.db2.gz ALOVSMDVERHLBX-LBPRGKRZSA-N -1 1 374.687 4.470 20 0 FIADMM COC(=O)c1c[n-]c(SCC/C=C\c2ccc(Br)cc2)n1 ZINC000432664279 1092040038 /nfs/dbraw/zinc/04/00/38/1092040038.db2.gz FKWIYPJPEUBTSQ-RQOWECAXSA-N -1 1 367.268 4.154 20 0 FIADMM CCOC(=O)c1cnc(C(C)=CC(C)=Cc2ccc(Cl)cc2)[n-]c1=O ZINC000432702598 1092156816 /nfs/dbraw/zinc/15/68/16/1092156816.db2.gz IGMTWADXVBUYNP-NBGAZXPKSA-N -1 1 358.825 4.107 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)CCC(C)(C)O3)[n-]c1=O ZINC000432707507 1092163870 /nfs/dbraw/zinc/16/38/70/1092163870.db2.gz XTVYGMLXMJHJGV-JLHYYAGUSA-N -1 1 368.433 4.023 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccc(C)cc3)o2)[n-]c1=O ZINC000432706625 1092163886 /nfs/dbraw/zinc/16/38/86/1092163886.db2.gz VNIZLNGOJPOGJI-KAMYIIQDSA-N -1 1 364.401 4.488 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1Cl ZINC000432771617 1092309693 /nfs/dbraw/zinc/30/96/93/1092309693.db2.gz YAVSENCMKWMRJD-UHFFFAOYSA-N -1 1 362.838 4.006 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1Cl ZINC000432782672 1092353112 /nfs/dbraw/zinc/35/31/12/1092353112.db2.gz VIABAGNYXPEWKG-UHFFFAOYSA-N -1 1 364.854 4.248 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(Cl)c1 ZINC000442230855 1092503374 /nfs/dbraw/zinc/50/33/74/1092503374.db2.gz GMLAGNUAIZPEEZ-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cnc2ccsc2c1 ZINC000442223166 1092513171 /nfs/dbraw/zinc/51/31/71/1092513171.db2.gz XOUFMDNILSXVTP-UHFFFAOYSA-N -1 1 360.794 4.029 20 0 FIADMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000521144445 1092524258 /nfs/dbraw/zinc/52/42/58/1092524258.db2.gz LBDKOIOGRJXFQH-UHFFFAOYSA-N -1 1 353.443 4.471 20 0 FIADMM CCCCc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000021999783 1092532412 /nfs/dbraw/zinc/53/24/12/1092532412.db2.gz PKVXDDIESMXHMC-UHFFFAOYSA-N -1 1 359.495 4.126 20 0 FIADMM COc1cc(C(=O)NCCc2cccc(Cl)c2Cl)cc(Cl)c1[O-] ZINC000442731144 1092739464 /nfs/dbraw/zinc/73/94/64/1092739464.db2.gz SMLCLBHPWKABLB-UHFFFAOYSA-N -1 1 374.651 4.334 20 0 FIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc4ccoc4c3)ccc21 ZINC000442839686 1092799373 /nfs/dbraw/zinc/79/93/73/1092799373.db2.gz UIVXNPQUZHMNFH-UHFFFAOYSA-N -1 1 355.419 4.164 20 0 FIADMM COc1cc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc(Cl)c1[O-] ZINC000442861906 1092806326 /nfs/dbraw/zinc/80/63/26/1092806326.db2.gz NMNMIGHYZQOLMI-SECBINFHSA-N -1 1 355.768 4.166 20 0 FIADMM O=C([O-])c1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC000521634254 1092808751 /nfs/dbraw/zinc/80/87/51/1092808751.db2.gz JRHWCXBHKSCTJN-LSDHHAIUSA-N -1 1 370.312 4.007 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccccc1)CC1CCOCC1 ZINC000110392204 1092863438 /nfs/dbraw/zinc/86/34/38/1092863438.db2.gz BRJPQQMVMCLAJQ-UHFFFAOYSA-N -1 1 359.853 4.115 20 0 FIADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000473430194 1092868099 /nfs/dbraw/zinc/86/80/99/1092868099.db2.gz DPIAKPZMCPIDOT-UHFFFAOYSA-N -1 1 355.463 4.105 20 0 FIADMM CC(C)Cc1csc2nc(-c3ccc(OCC(F)F)cn3)[n-]c(=O)c12 ZINC000443055392 1092929697 /nfs/dbraw/zinc/92/96/97/1092929697.db2.gz VYSAPDQBOGPDAR-UHFFFAOYSA-N -1 1 365.405 4.301 20 0 FIADMM CCc1cc2c([nH]c(Cc3cccc(Br)c3[O-])nc2=O)s1 ZINC000443075878 1092935958 /nfs/dbraw/zinc/93/59/58/1092935958.db2.gz RPJMNVIMTGGJIB-UHFFFAOYSA-N -1 1 365.252 4.018 20 0 FIADMM COc1cc(-c2nc(-c3nccc4ccccc43)no2)cc(Cl)c1[O-] ZINC000443105478 1092943217 /nfs/dbraw/zinc/94/32/17/1092943217.db2.gz UPQXBFQLCPQIKA-UHFFFAOYSA-N -1 1 353.765 4.319 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c(Cl)c1 ZINC000521901149 1092962701 /nfs/dbraw/zinc/96/27/01/1092962701.db2.gz XSBCAHJPZQIVFS-UHFFFAOYSA-N -1 1 364.898 4.358 20 0 FIADMM COc1cc(-c2nc([C@H]3CCOc4ccccc43)no2)cc(Cl)c1[O-] ZINC000443209491 1092992786 /nfs/dbraw/zinc/99/27/86/1092992786.db2.gz FYQBWYHDSVHKBK-LBPRGKRZSA-N -1 1 358.781 4.019 20 0 FIADMM COc1cc(Cc2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)ccc1C ZINC000443218853 1092995407 /nfs/dbraw/zinc/99/54/07/1092995407.db2.gz ULMMYNPOEOGJAZ-UHFFFAOYSA-N -1 1 360.797 4.012 20 0 FIADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443295148 1093039123 /nfs/dbraw/zinc/03/91/23/1093039123.db2.gz NJULYMWYHFNJTG-MRXNPFEDSA-N -1 1 361.869 4.456 20 0 FIADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000522067497 1093058859 /nfs/dbraw/zinc/05/88/59/1093058859.db2.gz ADZANWNJNYCXIU-JTQLQIEISA-N -1 1 373.865 4.364 20 0 FIADMM COc1cc(C(=O)N(Cc2cccc(F)c2)C(C)C)cc(Cl)c1[O-] ZINC000443334934 1093061949 /nfs/dbraw/zinc/06/19/49/1093061949.db2.gz OBKTZTIRTFWUOH-UHFFFAOYSA-N -1 1 351.805 4.244 20 0 FIADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443385187 1093089914 /nfs/dbraw/zinc/08/99/14/1093089914.db2.gz HEKXFFJPASTKNO-UHFFFAOYSA-N -1 1 358.825 4.198 20 0 FIADMM [O-]c1cccc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1Cl ZINC000512657701 1093095029 /nfs/dbraw/zinc/09/50/29/1093095029.db2.gz HHNSZOGHMWUBKB-MRXNPFEDSA-N -1 1 356.224 4.412 20 0 FIADMM CCOc1cc(-c2nc(COc3ccccc3F)no2)cc(Cl)c1[O-] ZINC000191178855 1093096721 /nfs/dbraw/zinc/09/67/21/1093096721.db2.gz ISFXFRYJBUQAMI-UHFFFAOYSA-N -1 1 364.760 4.212 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000443408044 1093098972 /nfs/dbraw/zinc/09/89/72/1093098972.db2.gz GGKVOVVELMVQOD-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000073921868 1093117089 /nfs/dbraw/zinc/11/70/89/1093117089.db2.gz VRPPPAAPHAUGLQ-GFCCVEGCSA-N -1 1 356.809 4.207 20 0 FIADMM C[C@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)c2ccccc21 ZINC000126947353 1093134212 /nfs/dbraw/zinc/13/42/12/1093134212.db2.gz ZVUQHHNUQFHLHD-LBPRGKRZSA-N -1 1 370.503 4.210 20 0 FIADMM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094124748 1093311633 /nfs/dbraw/zinc/31/16/33/1093311633.db2.gz URGPATABQAWTQF-CYBMUJFWSA-N -1 1 354.381 4.078 20 0 FIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2Br)s1 ZINC000389082472 1093348182 /nfs/dbraw/zinc/34/81/82/1093348182.db2.gz DLYMWROLXNOTOI-UHFFFAOYSA-N -1 1 360.298 4.237 20 0 FIADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429906348 1093471965 /nfs/dbraw/zinc/47/19/65/1093471965.db2.gz FORBPHDGSBEVOV-JTQLQIEISA-N -1 1 364.216 4.249 20 0 FIADMM O=c1cc(/C=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2nc[n-]n21 ZINC000614334360 1093629892 /nfs/dbraw/zinc/62/98/92/1093629892.db2.gz GGIFAJHOIUYYPF-IHWYPQMZSA-N -1 1 373.199 4.155 20 0 FIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(Cl)sc1Cl ZINC000433447027 1093712652 /nfs/dbraw/zinc/71/26/52/1093712652.db2.gz KJSVPOSPQOHYOT-VHSXEESVSA-N -1 1 366.266 4.028 20 0 FIADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1ccc(F)cc1Cl ZINC000474408722 1093743006 /nfs/dbraw/zinc/74/30/06/1093743006.db2.gz FKRSRGGOQSAVFS-UHFFFAOYSA-N -1 1 357.838 4.051 20 0 FIADMM O=S(=O)([N-]c1cc(C2CCCCCC2)n[nH]1)c1cccc2cnccc21 ZINC000474426939 1093768170 /nfs/dbraw/zinc/76/81/70/1093768170.db2.gz NAMYUWYGUVWLTB-UHFFFAOYSA-N -1 1 370.478 4.197 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000433614988 1094022695 /nfs/dbraw/zinc/02/26/95/1094022695.db2.gz BGQYWNLHAJLVCH-UHFFFAOYSA-N -1 1 358.246 4.387 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000327621369 1094372014 /nfs/dbraw/zinc/37/20/14/1094372014.db2.gz URDHQQQDZXRMSW-UHFFFAOYSA-N -1 1 369.471 4.172 20 0 FIADMM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1cscn1 ZINC000102975684 1094700811 /nfs/dbraw/zinc/70/08/11/1094700811.db2.gz QQAPJZRACMHCEC-UHFFFAOYSA-N -1 1 368.896 4.193 20 0 FIADMM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000179318276 1094788854 /nfs/dbraw/zinc/78/88/54/1094788854.db2.gz WZIKVIJSQCFNGA-UHFFFAOYSA-N -1 1 368.658 4.123 20 0 FIADMM Cc1cc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c(C(F)(F)F)o1 ZINC000474862251 1094797138 /nfs/dbraw/zinc/79/71/38/1094797138.db2.gz HBBMXOIFBHNCNE-UHFFFAOYSA-N -1 1 355.341 4.041 20 0 FIADMM COc1cc(-c2noc([C@@H](C)C3CCC3)n2)cc(Br)c1[O-] ZINC000420493663 1094946580 /nfs/dbraw/zinc/94/65/80/1094946580.db2.gz OISNYSSMPHQWLT-QMMMGPOBSA-N -1 1 353.216 4.117 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@H](CC(F)(F)F)C3)nc2)[n-]c(=O)c1C ZINC000420627926 1095012833 /nfs/dbraw/zinc/01/28/33/1095012833.db2.gz NTLAFWSTBMXPDD-CYBMUJFWSA-N -1 1 366.387 4.030 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc(Cl)c1[O-] ZINC000502160472 1095163167 /nfs/dbraw/zinc/16/31/67/1095163167.db2.gz UWBMGBDFLHLFNF-LBPRGKRZSA-N -1 1 363.816 4.213 20 0 FIADMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)n1 ZINC000522597019 1095171945 /nfs/dbraw/zinc/17/19/45/1095171945.db2.gz SWPSVJYNXVMLGF-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM COc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000007402555 1095182655 /nfs/dbraw/zinc/18/26/55/1095182655.db2.gz BWHJZOBJTIIPKE-CMDGGOBGSA-N -1 1 358.246 4.415 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000509540699 1095741414 /nfs/dbraw/zinc/74/14/14/1095741414.db2.gz LBVZCJKHWXIFIN-UHFFFAOYSA-N -1 1 366.653 4.456 20 0 FIADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000502911422 1095939745 /nfs/dbraw/zinc/93/97/45/1095939745.db2.gz HKBWPBVVFXHWHU-CABCVRRESA-N -1 1 360.479 4.108 20 0 FIADMM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502932634 1095960937 /nfs/dbraw/zinc/96/09/37/1095960937.db2.gz YBRCYFXZRKUYDX-LSDHHAIUSA-N -1 1 360.479 4.108 20 0 FIADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273331765 1096252169 /nfs/dbraw/zinc/25/21/69/1096252169.db2.gz UKVXONCAIMXVMZ-MAUKXSAKSA-N -1 1 363.816 4.177 20 0 FIADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273331763 1096252495 /nfs/dbraw/zinc/25/24/95/1096252495.db2.gz UKVXONCAIMXVMZ-CRAIPNDOSA-N -1 1 363.816 4.177 20 0 FIADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)o1 ZINC000414677967 1096424784 /nfs/dbraw/zinc/42/47/84/1096424784.db2.gz IQTFXTFVSQHNHU-GFCCVEGCSA-N -1 1 366.255 4.394 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1F ZINC000504037560 1096640337 /nfs/dbraw/zinc/64/03/37/1096640337.db2.gz VVKQLWIHSSUYCK-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM FC(F)c1nnc([N-][C@H]2CSCc3ccc(Br)cc32)o1 ZINC000664362103 1096752083 /nfs/dbraw/zinc/75/20/83/1096752083.db2.gz IAQHPGLWQJXYRI-VIFPVBQESA-N -1 1 362.199 4.170 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1OC(C)C ZINC000436176031 1098800222 /nfs/dbraw/zinc/80/02/22/1098800222.db2.gz PSCLPXGOCXZXKK-UHFFFAOYSA-N -1 1 367.492 4.005 20 0 FIADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000436175073 1098800428 /nfs/dbraw/zinc/80/04/28/1098800428.db2.gz XWOKVHGCBJVIOP-UHFFFAOYSA-N -1 1 354.403 4.209 20 0 FIADMM Cc1sc2nc([C@@H](C)Sc3nc(C4CC4)cc(=O)[n-]3)nc(N)c2c1C ZINC000436253806 1098867584 /nfs/dbraw/zinc/86/75/84/1098867584.db2.gz OCECOMROTOPSKS-SECBINFHSA-N -1 1 373.507 4.117 20 0 FIADMM CC(C)(C)OCc1cc(C(=O)[N-]c2csnc2-c2ccccc2)no1 ZINC000425521285 1098953385 /nfs/dbraw/zinc/95/33/85/1098953385.db2.gz JUYCVBCPAUAHBT-UHFFFAOYSA-N -1 1 357.435 4.366 20 0 FIADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436486038 1099063372 /nfs/dbraw/zinc/06/33/72/1099063372.db2.gz ITDPFNALFQHPFL-SIKLNZKXSA-N -1 1 361.441 4.443 20 0 FIADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436486027 1099064071 /nfs/dbraw/zinc/06/40/71/1099064071.db2.gz ITDPFNALFQHPFL-DENIHFKCSA-N -1 1 361.441 4.443 20 0 FIADMM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc2ccccc2c1[O-] ZINC000436510950 1099070158 /nfs/dbraw/zinc/07/01/58/1099070158.db2.gz FTIVDLRAJGYRQV-SFHVURJKSA-N -1 1 363.413 4.356 20 0 FIADMM COc1cc(-c2noc(-c3sccc3F)n2)cc(Br)c1[O-] ZINC000436520660 1099076982 /nfs/dbraw/zinc/07/69/82/1099076982.db2.gz IFLFGKNTZJKYQG-UHFFFAOYSA-N -1 1 371.187 4.081 20 0 FIADMM COC(=O)c1ccc([O-])c(NC(=O)c2oc3c(cccc3Cl)c2C)c1 ZINC000436520197 1099077466 /nfs/dbraw/zinc/07/74/66/1099077466.db2.gz UJZSMGUOEFTQNE-UHFFFAOYSA-N -1 1 359.765 4.139 20 0 FIADMM COc1cc(-c2nc(Cc3cc4ccccc4o3)no2)cc(Cl)c1[O-] ZINC000436577639 1099113223 /nfs/dbraw/zinc/11/32/23/1099113223.db2.gz UNYMRCYQMKNUOM-UHFFFAOYSA-N -1 1 356.765 4.441 20 0 FIADMM COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(Br)c1O ZINC000436559036 1099113443 /nfs/dbraw/zinc/11/34/43/1099113443.db2.gz YGIXMJYVWRLRDF-UHFFFAOYSA-N -1 1 353.603 4.360 20 0 FIADMM COCCSc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436561658 1099115468 /nfs/dbraw/zinc/11/54/68/1099115468.db2.gz ILLPCQCGUOHCRI-LBPRGKRZSA-N -1 1 365.882 4.275 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000436567891 1099118165 /nfs/dbraw/zinc/11/81/65/1099118165.db2.gz PQQVQDBBOYSZET-GOSISDBHSA-N -1 1 361.397 4.251 20 0 FIADMM Cc1noc(C)c1Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436599372 1099136877 /nfs/dbraw/zinc/13/68/77/1099136877.db2.gz XPJWPHLGCPFPPF-UHFFFAOYSA-N -1 1 363.373 4.430 20 0 FIADMM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436608252 1099142371 /nfs/dbraw/zinc/14/23/71/1099142371.db2.gz PTECZBNCKZRIHX-GOSISDBHSA-N -1 1 367.342 4.354 20 0 FIADMM O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc2ccccc2cc1[O-] ZINC000436633448 1099162103 /nfs/dbraw/zinc/16/21/03/1099162103.db2.gz ZGCZXRFWBQWJQF-UHFFFAOYSA-N -1 1 362.429 4.389 20 0 FIADMM CC1=C(c2ccco2)CN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436622322 1099169990 /nfs/dbraw/zinc/16/99/90/1099169990.db2.gz CCPXBQTWFGTZKB-UHFFFAOYSA-N -1 1 362.223 4.067 20 0 FIADMM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccc([O-])cc1F ZINC000436652969 1099174807 /nfs/dbraw/zinc/17/48/07/1099174807.db2.gz RWDYCAPJNSWKNR-OAHLLOKOSA-N -1 1 352.287 4.046 20 0 FIADMM CC(C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000436666962 1099197148 /nfs/dbraw/zinc/19/71/48/1099197148.db2.gz SDJRLXNXTCFEIZ-INIZCTEOSA-N -1 1 365.351 4.107 20 0 FIADMM COc1ccc2cc(CNC(=O)c3cc(Cl)c([O-])c(OC)c3)ccc2c1 ZINC000436674488 1099204930 /nfs/dbraw/zinc/20/49/30/1099204930.db2.gz IDSVWOSNCMDECY-UHFFFAOYSA-N -1 1 371.820 4.146 20 0 FIADMM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000436684218 1099218935 /nfs/dbraw/zinc/21/89/35/1099218935.db2.gz ZAPSBPIDEBHFJT-UHFFFAOYSA-N -1 1 359.809 4.188 20 0 FIADMM COc1ccc(Br)cc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436686239 1099221226 /nfs/dbraw/zinc/22/12/26/1099221226.db2.gz DMAMCBMKDNVTSU-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)C1 ZINC000436691526 1099224935 /nfs/dbraw/zinc/22/49/35/1099224935.db2.gz YRQHCDZNDYEZSB-FOIQADDNSA-N -1 1 367.445 4.309 20 0 FIADMM COc1cc(-c2noc(-c3ccc(C)cc3)n2)cc(Br)c1[O-] ZINC000445396134 1099224978 /nfs/dbraw/zinc/22/49/78/1099224978.db2.gz ZNJRPOOHVGSCHF-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436709382 1099226441 /nfs/dbraw/zinc/22/64/41/1099226441.db2.gz VVJMMXFAPKDWAW-ZDUSSCGKSA-N -1 1 362.267 4.166 20 0 FIADMM Cc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1-c1ncco1 ZINC000436720395 1099252373 /nfs/dbraw/zinc/25/23/73/1099252373.db2.gz JHYYZVKLQVBMIU-UHFFFAOYSA-N -1 1 373.206 4.370 20 0 FIADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Br)cc1[O-] ZINC000436735256 1099256613 /nfs/dbraw/zinc/25/66/13/1099256613.db2.gz MDTIEDNVFJSUBT-CYBMUJFWSA-N -1 1 364.264 4.122 20 0 FIADMM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436740781 1099261002 /nfs/dbraw/zinc/26/10/02/1099261002.db2.gz RUTYDAZAYKALOZ-ZDUSSCGKSA-N -1 1 351.855 4.265 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccccc1F)C1CC1 ZINC000436757356 1099273603 /nfs/dbraw/zinc/27/36/03/1099273603.db2.gz VOSKEDUXJHAXBZ-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM CCN(Cc1ccccc1NC(=O)c1ccc(C(C)C)cc1[O-])C(C)=O ZINC000436759431 1099274782 /nfs/dbraw/zinc/27/47/82/1099274782.db2.gz BFZRBCPRKZZIHF-UHFFFAOYSA-N -1 1 354.450 4.136 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c([O-])c1 ZINC000436752344 1099287198 /nfs/dbraw/zinc/28/71/98/1099287198.db2.gz AXHABZYAHZYRHM-UHFFFAOYSA-N -1 1 352.434 4.004 20 0 FIADMM CCOc1cc(-c2noc(/C=C\C3CCC3)n2)cc(Br)c1[O-] ZINC000436771527 1099293020 /nfs/dbraw/zinc/29/30/20/1099293020.db2.gz WLCZLHLKHSTIMB-SREVYHEPSA-N -1 1 365.227 4.417 20 0 FIADMM CCOc1cc(-c2nc(-c3cn(C)nc3C(C)C)no2)cc(Cl)c1[O-] ZINC000436773127 1099294069 /nfs/dbraw/zinc/29/40/69/1099294069.db2.gz HWRXEQCYZPDPBP-UHFFFAOYSA-N -1 1 362.817 4.018 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC000436764677 1099304461 /nfs/dbraw/zinc/30/44/61/1099304461.db2.gz SKFDTXPSPMPDOW-LLVKDONJSA-N -1 1 353.315 4.180 20 0 FIADMM COCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H](C)c1ccccc1 ZINC000436764532 1099305043 /nfs/dbraw/zinc/30/50/43/1099305043.db2.gz RRMKEGSCZAHVJC-ZDUSSCGKSA-N -1 1 367.367 4.261 20 0 FIADMM CCOc1cc(-c2noc(C3CCCC3)n2)cc(Br)c1[O-] ZINC000436769027 1099309652 /nfs/dbraw/zinc/30/96/52/1099309652.db2.gz KJBMCYTUDFPLFG-UHFFFAOYSA-N -1 1 353.216 4.261 20 0 FIADMM O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436769224 1099309966 /nfs/dbraw/zinc/30/99/66/1099309966.db2.gz YLEIKJKZSLTGKV-OAQYLSRUSA-N -1 1 371.392 4.227 20 0 FIADMM CCOc1cc(-c2noc(CC(C)(C)C)n2)cc(Br)c1[O-] ZINC000436771150 1099311692 /nfs/dbraw/zinc/31/16/92/1099311692.db2.gz SNJMZPFYLAQBHK-UHFFFAOYSA-N -1 1 355.232 4.192 20 0 FIADMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000436781358 1099314015 /nfs/dbraw/zinc/31/40/15/1099314015.db2.gz CJNUHGHZQKIQLX-UHFFFAOYSA-N -1 1 360.841 4.216 20 0 FIADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(Br)ccc1[O-] ZINC000436790882 1099323085 /nfs/dbraw/zinc/32/30/85/1099323085.db2.gz JCWSULLZTBHBNZ-UHFFFAOYSA-N -1 1 373.250 4.298 20 0 FIADMM CCCC[C@@H](CC)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435478 1099327892 /nfs/dbraw/zinc/32/78/92/1099327892.db2.gz FZMXZJPWCFUVOS-CQSZACIVSA-N -1 1 352.548 4.444 20 0 FIADMM CC(C)n1c(C2CCN(C(=O)CCCC(C)(C)C)CC2)n[n-]c1=S ZINC000068446780 1099328603 /nfs/dbraw/zinc/32/86/03/1099328603.db2.gz PZNVOTXNVXEKPB-UHFFFAOYSA-N -1 1 352.548 4.444 20 0 FIADMM CC[C@H](CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)C(C)C ZINC000068435531 1099328620 /nfs/dbraw/zinc/32/86/20/1099328620.db2.gz AECWZNGYQVCZPV-CQSZACIVSA-N -1 1 352.548 4.300 20 0 FIADMM CCCC[C@H](CC)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435480 1099328799 /nfs/dbraw/zinc/32/87/99/1099328799.db2.gz FZMXZJPWCFUVOS-AWEZNQCLSA-N -1 1 352.548 4.444 20 0 FIADMM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000436818347 1099329845 /nfs/dbraw/zinc/32/98/45/1099329845.db2.gz KMGPCENFCUDCPU-GOSISDBHSA-N -1 1 363.816 4.082 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(c2ncccc2Cl)CC1 ZINC000436850665 1099367835 /nfs/dbraw/zinc/36/78/35/1099367835.db2.gz IXSHIFJLWQFNHX-UHFFFAOYSA-N -1 1 351.233 4.114 20 0 FIADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1noc(-c2ccccc2)n1 ZINC000436861860 1099372200 /nfs/dbraw/zinc/37/22/00/1099372200.db2.gz COQPRXUKPUKWCJ-CYBMUJFWSA-N -1 1 359.385 4.086 20 0 FIADMM Cc1nc([C@@H]2CCCO2)sc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436870174 1099380753 /nfs/dbraw/zinc/38/07/53/1099380753.db2.gz GLIBJIUTBPGBDB-LBPRGKRZSA-N -1 1 363.826 4.379 20 0 FIADMM CCOc1cc(-c2noc(CCc3nc(C)cs3)n2)cc(Cl)c1[O-] ZINC000436870475 1099382733 /nfs/dbraw/zinc/38/27/33/1099382733.db2.gz PPEVCOQPPIWCCV-UHFFFAOYSA-N -1 1 365.842 4.044 20 0 FIADMM CCOc1cc(-c2noc(C[C@H]3CCC[C@@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436874606 1099388642 /nfs/dbraw/zinc/38/86/42/1099388642.db2.gz AILBONKRCWRTGA-WCQYABFASA-N -1 1 366.845 4.242 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(Cc4ccccc4F)s3)n2)cc1F ZINC000436876917 1099392656 /nfs/dbraw/zinc/39/26/56/1099392656.db2.gz CJSPDEKXWXZDNC-UHFFFAOYSA-N -1 1 371.368 4.435 20 0 FIADMM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436879398 1099397848 /nfs/dbraw/zinc/39/78/48/1099397848.db2.gz NCEBQDVLGYXTHU-CYBMUJFWSA-N -1 1 351.402 4.054 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(COCC(F)(F)F)cc2)no1 ZINC000436885655 1099402807 /nfs/dbraw/zinc/40/28/07/1099402807.db2.gz IJZDEJCJEVXHRA-UHFFFAOYSA-N -1 1 368.286 4.327 20 0 FIADMM COc1ccc(N(CCC(C)C)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436907224 1099415083 /nfs/dbraw/zinc/41/50/83/1099415083.db2.gz RWDVNMIGEXQVBR-UHFFFAOYSA-N -1 1 370.449 4.052 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000436899348 1099425284 /nfs/dbraw/zinc/42/52/84/1099425284.db2.gz CPBUICRCMSPDJK-DZZUKKPASA-N -1 1 372.262 4.473 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(OC(C)(C)C)cc3)no2)c1 ZINC000436901265 1099427039 /nfs/dbraw/zinc/42/70/39/1099427039.db2.gz LSIFSCFDJPTBJD-UHFFFAOYSA-N -1 1 367.405 4.245 20 0 FIADMM O=C(Nc1cccc(CSC2CCCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000436913967 1099429815 /nfs/dbraw/zinc/42/98/15/1099429815.db2.gz WWFMOGGKYCPLTO-UHFFFAOYSA-N -1 1 355.459 4.389 20 0 FIADMM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc2ccccc2cc1[O-] ZINC000436914866 1099431744 /nfs/dbraw/zinc/43/17/44/1099431744.db2.gz NJJDINSNSVGLFP-UHFFFAOYSA-N -1 1 360.413 4.315 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000614885646 1099435169 /nfs/dbraw/zinc/43/51/69/1099435169.db2.gz DWKONYWJQLGFNP-UHFFFAOYSA-N -1 1 353.443 4.375 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000629379024 1099454299 /nfs/dbraw/zinc/45/42/99/1099454299.db2.gz WJYHKLJVNVKRAK-RBSFLKMASA-N -1 1 372.690 4.178 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc(C)cc3OC)no2)cc(Cl)c1[O-] ZINC000436946914 1099458017 /nfs/dbraw/zinc/45/80/17/1099458017.db2.gz CMIPDUFDZWFIHW-UHFFFAOYSA-N -1 1 360.797 4.478 20 0 FIADMM [O-]c1ccc(-c2noc([C@@H]3CCN(c4ccccc4Cl)C3)n2)cc1F ZINC000436957663 1099476150 /nfs/dbraw/zinc/47/61/50/1099476150.db2.gz ZPPYBYUQVRDISE-GFCCVEGCSA-N -1 1 359.788 4.229 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000029997810 1099503569 /nfs/dbraw/zinc/50/35/69/1099503569.db2.gz FZMWVTBCHHTUFB-WBVHZDCISA-N -1 1 372.538 4.343 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCC[C@@H](C)C2)c1 ZINC000030015127 1099515178 /nfs/dbraw/zinc/51/51/78/1099515178.db2.gz NFVYBFSJOHRWQU-ZBFHGGJFSA-N -1 1 358.511 4.001 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000516716626 1099750409 /nfs/dbraw/zinc/75/04/09/1099750409.db2.gz FKBBHDRVIJWWLY-DLBZAZTESA-N -1 1 367.493 4.102 20 0 FIADMM CCCN(CC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)o1 ZINC000263409250 1099788079 /nfs/dbraw/zinc/78/80/79/1099788079.db2.gz KXMLVOPDJVNJLH-UHFFFAOYSA-N -1 1 352.228 4.006 20 0 FIADMM Cc1ccc(NC(=O)C2=CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000437598128 1100004350 /nfs/dbraw/zinc/00/43/50/1100004350.db2.gz FWIFXHOWJXJZEK-UHFFFAOYSA-N -1 1 370.474 4.235 20 0 FIADMM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000007051704 1100241544 /nfs/dbraw/zinc/24/15/44/1100241544.db2.gz LYLHUYNFYGZMBR-UHFFFAOYSA-N -1 1 371.289 4.394 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc4[nH]c(=O)oc43)n2)cc(Cl)c1[O-] ZINC000445411925 1100289776 /nfs/dbraw/zinc/28/97/76/1100289776.db2.gz LPRJMVJZQFCJPP-UHFFFAOYSA-N -1 1 373.752 4.008 20 0 FIADMM CC1=C(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CCC1 ZINC000437924112 1100305484 /nfs/dbraw/zinc/30/54/84/1100305484.db2.gz XSNFZJODESJWTP-UHFFFAOYSA-N -1 1 374.437 4.065 20 0 FIADMM CC1=C(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000437927052 1100317978 /nfs/dbraw/zinc/31/79/78/1100317978.db2.gz BVAKHYFKCNLMBY-UHFFFAOYSA-N -1 1 370.474 4.235 20 0 FIADMM CCc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c(=O)c1C ZINC000517395490 1100346936 /nfs/dbraw/zinc/34/69/36/1100346936.db2.gz JOGGMRRHMFOFMZ-LLVKDONJSA-N -1 1 365.886 4.134 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000425957232 1100495748 /nfs/dbraw/zinc/49/57/48/1100495748.db2.gz HGMCHSDYHFIEEO-UHFFFAOYSA-N -1 1 363.504 4.438 20 0 FIADMM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nc[nH]n1 ZINC000438238670 1100522428 /nfs/dbraw/zinc/52/24/28/1100522428.db2.gz WFSPENZGOGFOFW-UHFFFAOYSA-N -1 1 366.208 4.142 20 0 FIADMM COc1cc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)cc(Cl)c1[O-] ZINC000506348954 1100902587 /nfs/dbraw/zinc/90/25/87/1100902587.db2.gz UOSDJRJAGCMXNZ-IBGZPJMESA-N -1 1 363.816 4.074 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000438777740 1100913229 /nfs/dbraw/zinc/91/32/29/1100913229.db2.gz QHUDNHKXQTZDHH-UHFFFAOYSA-N -1 1 367.417 4.395 20 0 FIADMM O=C(Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)c1ccc([O-])cc1 ZINC000438782276 1100914746 /nfs/dbraw/zinc/91/47/46/1100914746.db2.gz CISMNQMZBOESFK-UHFFFAOYSA-N -1 1 364.382 4.083 20 0 FIADMM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccc(Cl)c(Cl)c1 ZINC000438817551 1100929083 /nfs/dbraw/zinc/92/90/83/1100929083.db2.gz HDYUZBAITFKURJ-UHFFFAOYSA-N -1 1 368.245 4.184 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)cc2s1 ZINC000438806812 1100930588 /nfs/dbraw/zinc/93/05/88/1100930588.db2.gz BIORPYCKGMCIAO-UHFFFAOYSA-N -1 1 374.487 4.244 20 0 FIADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(C(F)(F)F)cc1 ZINC000509553063 1100938911 /nfs/dbraw/zinc/93/89/11/1100938911.db2.gz GZBRSBCGNXONQZ-UHFFFAOYSA-N -1 1 358.366 4.116 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1 ZINC000537037976 1101410606 /nfs/dbraw/zinc/41/06/06/1101410606.db2.gz KPWVAOZTPKWVKM-UHFFFAOYSA-N -1 1 368.458 4.004 20 0 FIADMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000506569541 1101430717 /nfs/dbraw/zinc/43/07/17/1101430717.db2.gz CAARCUZWSZCGRP-UHFFFAOYSA-N -1 1 361.444 4.350 20 0 FIADMM O=C(NCCc1nc(C2CCCCC2)cs1)c1c(F)ccc([O-])c1F ZINC000537222688 1101578566 /nfs/dbraw/zinc/57/85/66/1101578566.db2.gz BSEJGFDVUBLXMY-UHFFFAOYSA-N -1 1 366.433 4.147 20 0 FIADMM CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000055315947 1101636036 /nfs/dbraw/zinc/63/60/36/1101636036.db2.gz ZOTZCXQWKJRTDZ-RBUKOAKNSA-N -1 1 355.478 4.052 20 0 FIADMM C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ncc(-c2ccccc2)o1 ZINC000184890211 1101676689 /nfs/dbraw/zinc/67/66/89/1101676689.db2.gz HENGIQFTNYPZJY-ZDUSSCGKSA-N -1 1 362.385 4.004 20 0 FIADMM Cc1cccc(NC(=O)[C@H](Sc2nc(C)c(C)c(=O)[n-]2)C(C)C)c1C ZINC000537417360 1101763817 /nfs/dbraw/zinc/76/38/17/1101763817.db2.gz ULKXMXTVUOBEIV-MRXNPFEDSA-N -1 1 359.495 4.171 20 0 FIADMM CCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000016601670 1101894400 /nfs/dbraw/zinc/89/44/00/1101894400.db2.gz RJJZDUABOXGXIM-INIZCTEOSA-N -1 1 374.506 4.023 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2oc(CC(C)C)nc2C)c(F)c1F ZINC000475813226 1101932611 /nfs/dbraw/zinc/93/26/11/1101932611.db2.gz UIGBYDHQUFZDCD-UHFFFAOYSA-N -1 1 354.328 4.054 20 0 FIADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000475819218 1101958798 /nfs/dbraw/zinc/95/87/98/1101958798.db2.gz REZBBXMSYQOEOB-UHFFFAOYSA-N -1 1 364.470 4.347 20 0 FIADMM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000440116564 1102041137 /nfs/dbraw/zinc/04/11/37/1102041137.db2.gz FOSZJHDOEBMDJS-CQSZACIVSA-N -1 1 367.474 4.290 20 0 FIADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475828299 1102086546 /nfs/dbraw/zinc/08/65/46/1102086546.db2.gz FHRJPHQLRWZVMB-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CCn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2Cl)cn1 ZINC000475832159 1102118860 /nfs/dbraw/zinc/11/88/60/1102118860.db2.gz MYGWYFKQFKBKRP-UHFFFAOYSA-N -1 1 361.854 4.024 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1 ZINC000475835259 1102121861 /nfs/dbraw/zinc/12/18/61/1102121861.db2.gz SUJLVAQSOAUERX-UHFFFAOYSA-N -1 1 366.442 4.060 20 0 FIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1 ZINC000506795473 1102124923 /nfs/dbraw/zinc/12/49/23/1102124923.db2.gz LHWYXNQIRLDELZ-UHFFFAOYSA-N -1 1 362.476 4.194 20 0 FIADMM CCc1nc(CNCc2ccc(-c3ccccc3)s2)ccc1C(=O)[O-] ZINC000426650976 1102248770 /nfs/dbraw/zinc/24/87/70/1102248770.db2.gz IRGMGDXYPYBLMA-UHFFFAOYSA-N -1 1 352.459 4.361 20 0 FIADMM CC(C)(C)CCCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000103874651 1102249335 /nfs/dbraw/zinc/24/93/35/1102249335.db2.gz TVTCRZDPIZNQHQ-UHFFFAOYSA-N -1 1 360.498 4.213 20 0 FIADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nc(C)cs1 ZINC000104761119 1102374110 /nfs/dbraw/zinc/37/41/10/1102374110.db2.gz YFHUETYOGLMHKR-ZETCQYMHSA-N -1 1 371.336 4.249 20 0 FIADMM CSc1nc(=O)c2sc(-c3cccc(Br)c3)cc2[n-]1 ZINC000049068739 1102481016 /nfs/dbraw/zinc/48/10/16/1102481016.db2.gz GFASIICVBBVAES-UHFFFAOYSA-N -1 1 353.266 4.136 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000108357754 1102483528 /nfs/dbraw/zinc/48/35/28/1102483528.db2.gz LEVVVEQMZOXGOM-UHFFFAOYSA-N -1 1 368.458 4.204 20 0 FIADMM CN(Cc1ccc(-c2ccccc2)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000101544417 1102542556 /nfs/dbraw/zinc/54/25/56/1102542556.db2.gz NJJQGLYLVGFORU-UHFFFAOYSA-N -1 1 361.470 4.284 20 0 FIADMM Cc1ccc(OCc2nc(CC(=O)Nc3ccc(F)cc3[O-])cs2)cc1 ZINC000532622282 1102595933 /nfs/dbraw/zinc/59/59/33/1102595933.db2.gz WIHAMZJIYSOLND-UHFFFAOYSA-N -1 1 372.421 4.056 20 0 FIADMM CSc1ccc(-c2nsc([N-]C(=O)c3ccc(Cl)o3)n2)cc1 ZINC000440464280 1102707978 /nfs/dbraw/zinc/70/79/78/1102707978.db2.gz BNAQTZOYLAPUBH-UHFFFAOYSA-N -1 1 351.840 4.426 20 0 FIADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccc2ccccc2c1F ZINC001211937155 1102835389 /nfs/dbraw/zinc/83/53/89/1102835389.db2.gz WAYVKOGZRGZBJQ-QGZVFWFLSA-N -1 1 365.376 4.264 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@H]3OC(C)(C)C)n2)cc(Cl)c1[O-] ZINC000664844044 1102879782 /nfs/dbraw/zinc/87/97/82/1102879782.db2.gz DJVVRMUQPFHMCI-ZYHUDNBSSA-N -1 1 352.818 4.165 20 0 FIADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000112266515 1102881807 /nfs/dbraw/zinc/88/18/07/1102881807.db2.gz NLHZAXIZUFDKJI-UHFFFAOYSA-N -1 1 373.833 4.076 20 0 FIADMM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2Br)cc1 ZINC000426683035 1102916690 /nfs/dbraw/zinc/91/66/90/1102916690.db2.gz OFRNAJYKWDBOIK-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM Cc1ccc([C@H](NCc2cc(Cl)ccc2Br)C(=O)[O-])cc1 ZINC000426686647 1102920855 /nfs/dbraw/zinc/92/08/55/1102920855.db2.gz NLSNQWNPMBZCMK-HNNXBMFYSA-N -1 1 368.658 4.326 20 0 FIADMM Cc1c(F)cccc1-c1ccc(CN[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426697152 1102926528 /nfs/dbraw/zinc/92/65/28/1102926528.db2.gz RWJHFUKPIUKAJA-IBGZPJMESA-N -1 1 353.393 4.180 20 0 FIADMM CSCC[C@@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC000426705086 1102932520 /nfs/dbraw/zinc/93/25/20/1102932520.db2.gz UZPUGEGLTATNNQ-CQSZACIVSA-N -1 1 373.396 4.261 20 0 FIADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(OC)cc2Cl)cc1 ZINC000426715983 1102937570 /nfs/dbraw/zinc/93/75/70/1102937570.db2.gz KPEWXSFHSUKOLA-GOSISDBHSA-N -1 1 363.841 4.053 20 0 FIADMM O=C([O-])[C@H](NCc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000426731687 1102950760 /nfs/dbraw/zinc/95/07/60/1102950760.db2.gz QMPIWXULAJIDRK-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM COc1cc(-c2noc([C@H]3CCC3(C)C)n2)cc(Br)c1[O-] ZINC000664850051 1102974579 /nfs/dbraw/zinc/97/45/79/1102974579.db2.gz JRTPLZXUYHGTES-SECBINFHSA-N -1 1 353.216 4.117 20 0 FIADMM CCOc1ccc(OC)cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000729665613 1102988977 /nfs/dbraw/zinc/98/89/77/1102988977.db2.gz MDHCCIFTYQXKHC-KHPPLWFESA-N -1 1 367.854 4.160 20 0 FIADMM COc1cccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c1OC ZINC000426808102 1102989345 /nfs/dbraw/zinc/98/93/45/1102989345.db2.gz KSDOQMCRQLNINM-GOSISDBHSA-N -1 1 357.450 4.133 20 0 FIADMM Cc1ccc2[nH]c(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3F)cc2c1C ZINC000426809037 1103003481 /nfs/dbraw/zinc/00/34/81/1103003481.db2.gz OTCFQEARXJXGAX-IBGZPJMESA-N -1 1 358.388 4.369 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2c(Cl)oc3ccccc32)c1 ZINC000426804479 1103004467 /nfs/dbraw/zinc/00/44/67/1103004467.db2.gz UTOFWDZATROXMZ-MRXNPFEDSA-N -1 1 359.809 4.400 20 0 FIADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000614863695 1103011861 /nfs/dbraw/zinc/01/18/61/1103011861.db2.gz ZRNMHBNBFRJHFR-UHFFFAOYSA-N -1 1 357.431 4.048 20 0 FIADMM O=C([O-])C[C@H](NCc1cnc(-c2ccccn2)s1)c1cccc(Cl)c1 ZINC000426819199 1103012560 /nfs/dbraw/zinc/01/25/60/1103012560.db2.gz UXTQBSKXYFZLTA-INIZCTEOSA-N -1 1 373.865 4.164 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(F)cc(F)c1)c1cccc(Br)c1 ZINC000426821823 1103017471 /nfs/dbraw/zinc/01/74/71/1103017471.db2.gz WYWQJVMAPBYTKP-OAHLLOKOSA-N -1 1 370.193 4.033 20 0 FIADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc1 ZINC000760268264 1103075797 /nfs/dbraw/zinc/07/57/97/1103075797.db2.gz MECOSCHZVQWUTD-HJWRWDBZSA-N -1 1 369.437 4.198 20 0 FIADMM COCCCOc1ccc(-c2noc(-c3cc(SC)ccc3[O-])n2)cc1 ZINC000664857450 1103118676 /nfs/dbraw/zinc/11/86/76/1103118676.db2.gz DUOCRTURPAYOCU-UHFFFAOYSA-N -1 1 372.446 4.246 20 0 FIADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC001211973773 1103124048 /nfs/dbraw/zinc/12/40/48/1103124048.db2.gz OHGXCWOFKISTGC-CVEARBPZSA-N -1 1 365.445 4.135 20 0 FIADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427221208 1103348056 /nfs/dbraw/zinc/34/80/56/1103348056.db2.gz YTMGALWLBUJGOP-LLVKDONJSA-N -1 1 362.476 4.113 20 0 FIADMM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)C1CC1)c1cccc(F)c1F ZINC000507499097 1103428681 /nfs/dbraw/zinc/42/86/81/1103428681.db2.gz RZSPJSMHARRLNA-INIZCTEOSA-N -1 1 357.809 4.048 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc(C)c1F ZINC000427336385 1103456073 /nfs/dbraw/zinc/45/60/73/1103456073.db2.gz QPDPNUMNCGEQQN-UHFFFAOYSA-N -1 1 360.410 4.207 20 0 FIADMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1sccc1F ZINC000507535007 1103457306 /nfs/dbraw/zinc/45/73/06/1103457306.db2.gz PHDINLUNVFZUTI-LBPRGKRZSA-N -1 1 359.451 4.459 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000507632437 1103566325 /nfs/dbraw/zinc/56/63/25/1103566325.db2.gz AFTBXLXEVTUHPV-UHFFFAOYSA-N -1 1 372.393 4.482 20 0 FIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc2ccccc21 ZINC000084460740 1103599033 /nfs/dbraw/zinc/59/90/33/1103599033.db2.gz OYAHDWHWVIHOLX-UHFFFAOYSA-N -1 1 350.399 4.296 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3csc(-c4cccs4)n3)n2)c(F)c1 ZINC000445454085 1103897834 /nfs/dbraw/zinc/89/78/34/1103897834.db2.gz JZYKVYODFCREQD-UHFFFAOYSA-N -1 1 359.407 4.357 20 0 FIADMM COc1ccc(C)cc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000519845352 1103897857 /nfs/dbraw/zinc/89/78/57/1103897857.db2.gz SMIORRFMICFKQH-MRXNPFEDSA-N -1 1 367.367 4.328 20 0 FIADMM CC[C@H](C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000440796296 1103949447 /nfs/dbraw/zinc/94/94/47/1103949447.db2.gz GCJJTJIHQGXBCR-SJCJKPOMSA-N -1 1 369.852 4.094 20 0 FIADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000427589436 1104960440 /nfs/dbraw/zinc/96/04/40/1104960440.db2.gz YXQMVFSJWVLTDI-JLHYYAGUSA-N -1 1 360.251 4.330 20 0 FIADMM Cc1cnc(CCCC(=O)Nc2c([O-])cc(Br)cc2Cl)o1 ZINC000520587062 1105016880 /nfs/dbraw/zinc/01/68/80/1105016880.db2.gz SCOZWVRVJFVQAZ-UHFFFAOYSA-N -1 1 373.634 4.066 20 0 FIADMM O=C([O-])[C@H]1C[C@H](NCc2c(Cl)cccc2N2CCCC2)c2ccccc21 ZINC000417635435 1105038915 /nfs/dbraw/zinc/03/89/15/1105038915.db2.gz WPFFAPXVHZEHFF-LPHOPBHVSA-N -1 1 370.880 4.343 20 0 FIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000032097604 1105139582 /nfs/dbraw/zinc/13/95/82/1105139582.db2.gz JWVWSKVMBINVRR-UHFFFAOYSA-N -1 1 350.827 4.405 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1-c1ccncc1 ZINC000427638365 1105193911 /nfs/dbraw/zinc/19/39/11/1105193911.db2.gz UFZOUXVZNGMOQW-UHFFFAOYSA-N -1 1 360.385 4.136 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1-c1ccncc1 ZINC000427654106 1105229703 /nfs/dbraw/zinc/22/97/03/1105229703.db2.gz MCEKVGVCHUTDRM-UHFFFAOYSA-N -1 1 356.422 4.305 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)s1 ZINC000508072394 1105319867 /nfs/dbraw/zinc/31/98/67/1105319867.db2.gz FYAJJUNUYMWRMF-CQSZACIVSA-N -1 1 374.409 4.120 20 0 FIADMM O=S(=O)([N-]c1cccc(C2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000530145092 1106859966 /nfs/dbraw/zinc/85/99/66/1106859966.db2.gz OHQRTPLBQONIPL-UHFFFAOYSA-N -1 1 351.855 4.035 20 0 FIADMM C[C@@H](c1ccc(CN2CCc3occc3[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000530167182 1106874441 /nfs/dbraw/zinc/87/44/41/1106874441.db2.gz VNFSMWACEHUUGQ-MEDUHNTESA-N -1 1 353.340 4.129 20 0 FIADMM C[C@H](c1ccc(CN2CCc3occc3[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000530167180 1106877134 /nfs/dbraw/zinc/87/71/34/1106877134.db2.gz VNFSMWACEHUUGQ-BDJLRTHQSA-N -1 1 353.340 4.129 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000192992260 1106916057 /nfs/dbraw/zinc/91/60/57/1106916057.db2.gz ZPBIFSSJYXNUNK-UHFFFAOYSA-N -1 1 361.441 4.367 20 0 FIADMM CCOCc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301368679 1107006246 /nfs/dbraw/zinc/00/62/46/1107006246.db2.gz ONSJDDYNBZLJAJ-UHFFFAOYSA-N -1 1 364.449 4.010 20 0 FIADMM Cc1ccc2c(CCNc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)c[nH]c2c1 ZINC000301436611 1107029704 /nfs/dbraw/zinc/02/97/04/1107029704.db2.gz WXAPUNKPGNPSMB-UHFFFAOYSA-N -1 1 373.460 4.305 20 0 FIADMM Cc1cnc([C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C2CC2)s1 ZINC000301505298 1107051913 /nfs/dbraw/zinc/05/19/13/1107051913.db2.gz CNUSDJUCJMKSAK-MRXNPFEDSA-N -1 1 367.478 4.189 20 0 FIADMM OC[C@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)c1ccccc1 ZINC000301525550 1107058849 /nfs/dbraw/zinc/05/88/49/1107058849.db2.gz NBTSGZGKQHRYEX-AWEZNQCLSA-N -1 1 350.205 4.189 20 0 FIADMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCO1 ZINC000451371788 1107065020 /nfs/dbraw/zinc/06/50/20/1107065020.db2.gz FIGASZURBVMPIF-DGCLKSJQSA-N -1 1 373.927 4.037 20 0 FIADMM CSc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)o1 ZINC000444365920 1107083364 /nfs/dbraw/zinc/08/33/64/1107083364.db2.gz OZZPJOVEVPUBMM-UHFFFAOYSA-N -1 1 374.462 4.022 20 0 FIADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000193474476 1107213027 /nfs/dbraw/zinc/21/30/27/1107213027.db2.gz VOELZZHMWZVBOE-UHFFFAOYSA-N -1 1 372.780 4.224 20 0 FIADMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1Br)c1ccccc1 ZINC000426749721 1107223523 /nfs/dbraw/zinc/22/35/23/1107223523.db2.gz HZKKJSCLSHVRIT-ZBEGNZNMSA-N -1 1 366.230 4.140 20 0 FIADMM OC[C@@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)c1ccsc1 ZINC000302294274 1107354853 /nfs/dbraw/zinc/35/48/53/1107354853.db2.gz XGXDBSZFTIKFII-GFCCVEGCSA-N -1 1 356.234 4.250 20 0 FIADMM CCO[C@@H](CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccccc1 ZINC000302833605 1107461216 /nfs/dbraw/zinc/46/12/16/1107461216.db2.gz SNCHTQFZHBTDNI-SFHVURJKSA-N -1 1 364.449 4.051 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC000531235812 1107680294 /nfs/dbraw/zinc/68/02/94/1107680294.db2.gz VILZLUJSJIJRRW-UHFFFAOYSA-N -1 1 366.339 4.098 20 0 FIADMM CCOc1cc(C(=O)Nc2cc(C)cnc2OC(C)C)cc(Cl)c1[O-] ZINC000452685219 1107894658 /nfs/dbraw/zinc/89/46/58/1107894658.db2.gz NXLKRRGYABLJCK-UHFFFAOYSA-N -1 1 364.829 4.187 20 0 FIADMM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(F)cc3[O-])cc12 ZINC000531756290 1108122578 /nfs/dbraw/zinc/12/25/78/1108122578.db2.gz HPUGDQXVGKMIEH-UHFFFAOYSA-N -1 1 367.405 4.492 20 0 FIADMM O=c1nc(-c2ccc3c(c2)OCO3)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000523366249 1108150053 /nfs/dbraw/zinc/15/00/53/1108150053.db2.gz AMTCQGPLOHVKKU-UHFFFAOYSA-N -1 1 366.373 4.186 20 0 FIADMM CCOc1cc(-c2noc([C@@H](Cc3ccccc3)OC)n2)cc(Cl)c1[O-] ZINC000453173555 1108246492 /nfs/dbraw/zinc/24/64/92/1108246492.db2.gz YXDODHDSFYPPDM-MRXNPFEDSA-N -1 1 374.824 4.425 20 0 FIADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[O-])c2cnn(C(C)C)c2n1 ZINC000532012478 1108545427 /nfs/dbraw/zinc/54/54/27/1108545427.db2.gz HFDPXUOTSRQLTM-UHFFFAOYSA-N -1 1 356.401 4.233 20 0 FIADMM Cc1cccc(NC(=O)Cc2noc(-c3ccc4ccccc4c3[O-])n2)c1 ZINC000445324285 1108670147 /nfs/dbraw/zinc/67/01/47/1108670147.db2.gz UNRRRDQHKRYXGK-UHFFFAOYSA-N -1 1 359.385 4.085 20 0 FIADMM CC[C@@]1(C)C[C@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445392181 1108708599 /nfs/dbraw/zinc/70/85/99/1108708599.db2.gz LJSTVLVDYWSJKS-VFZGTOFNSA-N -1 1 353.216 4.117 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc(C)c(O)c3)n2)cc(Cl)c1[O-] ZINC000445410784 1108721198 /nfs/dbraw/zinc/72/11/98/1108721198.db2.gz HTGPUAQAQNKABP-UHFFFAOYSA-N -1 1 360.797 4.099 20 0 FIADMM CCOc1cc(-c2noc(C[C@H]3CCO[C@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445413338 1108722505 /nfs/dbraw/zinc/72/25/05/1108722505.db2.gz YFMNOLZNBXCPCE-WCQYABFASA-N -1 1 366.845 4.242 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3ccc(C)nc3)n2)cc(Cl)c1[O-] ZINC000445426981 1108738238 /nfs/dbraw/zinc/73/82/38/1108738238.db2.gz MSZHZTWZSXWJHH-SREVYHEPSA-N -1 1 357.797 4.368 20 0 FIADMM CCOc1cc(-c2noc(-c3ccncc3Cl)n2)cc(Cl)c1[O-] ZINC000445416980 1108747707 /nfs/dbraw/zinc/74/77/07/1108747707.db2.gz IJKRYTSNBVDDHY-UHFFFAOYSA-N -1 1 352.177 4.210 20 0 FIADMM COc1cccc(CO[C@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450182 1108753749 /nfs/dbraw/zinc/75/37/49/1108753749.db2.gz ROZWHFTWXUOQKG-LLVKDONJSA-N -1 1 360.797 4.382 20 0 FIADMM O=C(Nc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1)C1CC1 ZINC000445451310 1108754658 /nfs/dbraw/zinc/75/46/58/1108754658.db2.gz CZWMZYPQISKIKM-UHFFFAOYSA-N -1 1 369.808 4.035 20 0 FIADMM CC(C)c1ncc(Cl)c(-c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445445732 1108771156 /nfs/dbraw/zinc/77/11/56/1108771156.db2.gz MXCHKJDYKKSLJV-UHFFFAOYSA-N -1 1 351.193 4.329 20 0 FIADMM COc1cccc2c1OCC(c1nc(-c3ccc([O-])cc3Cl)no1)=C2 ZINC000445446859 1108771880 /nfs/dbraw/zinc/77/18/80/1108771880.db2.gz FXKRMTFWNJMOPT-UHFFFAOYSA-N -1 1 356.765 4.037 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ccc(OC(F)F)cc3)n2)c(Cl)c1 ZINC000445446552 1108772001 /nfs/dbraw/zinc/77/20/01/1108772001.db2.gz MGNFZNCOHIIBOC-UHFFFAOYSA-N -1 1 366.751 4.482 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C/c3ccc4c(c3)OCCO4)n2)c(Cl)c1 ZINC000445446031 1108773954 /nfs/dbraw/zinc/77/39/54/1108773954.db2.gz NPYZYRSQORIRCR-QHHAFSJGSA-N -1 1 356.765 4.037 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(-c4ccccn4)s3)n2)c(Cl)c1 ZINC000445457671 1108791055 /nfs/dbraw/zinc/79/10/55/1108791055.db2.gz ZFXNLQXMOLGJNK-UHFFFAOYSA-N -1 1 356.794 4.281 20 0 FIADMM CC(C)(C)C(=O)Nc1ccc(F)c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445458223 1108792479 /nfs/dbraw/zinc/79/24/79/1108792479.db2.gz WZVPRYVUNXDWFB-UHFFFAOYSA-N -1 1 373.359 4.372 20 0 FIADMM COc1ccc(Br)c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445459704 1108793552 /nfs/dbraw/zinc/79/35/52/1108793552.db2.gz GBSWPHVUCJBOON-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM Cc1ccc(-c2nc(-c3nc(-c4ccc([O-])cc4F)no3)cs2)n1C ZINC000445460011 1108794918 /nfs/dbraw/zinc/79/49/18/1108794918.db2.gz LMPZIAIAYVCNDZ-UHFFFAOYSA-N -1 1 356.382 4.019 20 0 FIADMM O=C1CCCN1c1ccc(Cl)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445477241 1108796581 /nfs/dbraw/zinc/79/65/81/1108796581.db2.gz BFXNUKPFPIZCHD-UHFFFAOYSA-N -1 1 373.771 4.029 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3CCCN3Cc3ccc(F)cc3)n2)cc1F ZINC000445480772 1108801431 /nfs/dbraw/zinc/80/14/31/1108801431.db2.gz JEGQETXQBLIYPG-MRXNPFEDSA-N -1 1 357.360 4.058 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3ccccc3OC(F)F)n2)cc1F ZINC000445482354 1108803066 /nfs/dbraw/zinc/80/30/66/1108803066.db2.gz ORXMYQBMTZMJGD-NEPJUHHUSA-N -1 1 362.307 4.454 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2cnn(-c3cccc(Cl)c3)c2)no1 ZINC000445646806 1108926483 /nfs/dbraw/zinc/92/64/83/1108926483.db2.gz CJZCNKNVGYKUPO-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM [O-]c1ccc(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)c(F)c1 ZINC000445650323 1108935899 /nfs/dbraw/zinc/93/58/99/1108935899.db2.gz VVQUPXJUBDPNHJ-UHFFFAOYSA-N -1 1 356.744 4.087 20 0 FIADMM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000525070368 1109257563 /nfs/dbraw/zinc/25/75/63/1109257563.db2.gz VKRGFMKYHXBHOA-CVEARBPZSA-N -1 1 372.490 4.252 20 0 FIADMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897349979 1109333984 /nfs/dbraw/zinc/33/39/84/1109333984.db2.gz WGSCCOONVXFIMO-JQWIXIFHSA-N -1 1 353.340 4.054 20 0 FIADMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1cccc(C)c1 ZINC000446982414 1109405249 /nfs/dbraw/zinc/40/52/49/1109405249.db2.gz DNHZKPIUBBDBTB-UHFFFAOYSA-N -1 1 353.397 4.230 20 0 FIADMM COc1cc(SC)ccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000446989197 1109407207 /nfs/dbraw/zinc/40/72/07/1109407207.db2.gz LJYMYSRLMZCYBX-UHFFFAOYSA-N -1 1 353.827 4.037 20 0 FIADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000525525506 1109412327 /nfs/dbraw/zinc/41/23/27/1109412327.db2.gz PNNRXQZCZHHWMQ-UHFFFAOYSA-N -1 1 374.437 4.352 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cccc2cccnc21 ZINC000447265162 1109490502 /nfs/dbraw/zinc/49/05/02/1109490502.db2.gz FQPBEFDGZIKYJN-UHFFFAOYSA-N -1 1 368.389 4.435 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1C ZINC000447272480 1109492842 /nfs/dbraw/zinc/49/28/42/1109492842.db2.gz CVXOPBVISLRVRA-UHFFFAOYSA-N -1 1 373.478 4.043 20 0 FIADMM COc1cc(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000447692066 1109621924 /nfs/dbraw/zinc/62/19/24/1109621924.db2.gz YJNRADPKNDCTSQ-HXUWFJFHSA-N -1 1 359.853 4.166 20 0 FIADMM C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc4ccccc4c3[O-])cccc21 ZINC000447726573 1109626946 /nfs/dbraw/zinc/62/69/46/1109626946.db2.gz HIBJLWZGIFKYNC-LJQANCHMSA-N -1 1 362.429 4.183 20 0 FIADMM COc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)cc(Cl)c1[O-] ZINC000526946518 1109646576 /nfs/dbraw/zinc/64/65/76/1109646576.db2.gz RLSZNTCHCQAOTA-UHFFFAOYSA-N -1 1 358.196 4.119 20 0 FIADMM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1c(Cl)cccc1Cl ZINC000528499610 1110007374 /nfs/dbraw/zinc/00/73/74/1110007374.db2.gz PHHGPBRDZMFINO-HNNXBMFYSA-N -1 1 371.289 4.208 20 0 FIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1coc(-c2ccccc2Cl)n1 ZINC000538480742 1111152185 /nfs/dbraw/zinc/15/21/85/1111152185.db2.gz UIEUNAVQXTXWNO-UHFFFAOYSA-N -1 1 370.821 4.121 20 0 FIADMM C/C=C\c1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(OC)c1 ZINC000461462541 1111226462 /nfs/dbraw/zinc/22/64/62/1111226462.db2.gz FHGWJGIDGCHMAY-CLTKARDFSA-N -1 1 374.400 4.355 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc(C3CC3)s2)c1 ZINC000538699787 1111251656 /nfs/dbraw/zinc/25/16/56/1111251656.db2.gz PLRXSUCQCAXEGK-UHFFFAOYSA-N -1 1 353.241 4.049 20 0 FIADMM CCSc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000629491355 1111319645 /nfs/dbraw/zinc/31/96/45/1111319645.db2.gz QREMGGXXEFQCFB-SMDDNHRTSA-N -1 1 372.328 4.104 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2Cl)n[nH]c1-c1ccccc1 ZINC000539113340 1111437293 /nfs/dbraw/zinc/43/72/93/1111437293.db2.gz RPQGXWYADVWTKH-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM CCOc1cccc2cc([C@H](C)NCc3nc(=O)c4sccc4[n-]3)oc21 ZINC000552497381 1111724067 /nfs/dbraw/zinc/72/40/67/1111724067.db2.gz IVYLQKFXTQATOY-NSHDSACASA-N -1 1 369.446 4.393 20 0 FIADMM O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)c1cncc([O-])c1 ZINC000552507314 1111734018 /nfs/dbraw/zinc/73/40/18/1111734018.db2.gz CEUHDBHTOQESBO-UHFFFAOYSA-N -1 1 360.200 4.408 20 0 FIADMM O=C(CC1CCCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000478346209 1111756487 /nfs/dbraw/zinc/75/64/87/1111756487.db2.gz WLFCTWFPPPDCBS-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc(Cl)c1[O-] ZINC000552653786 1111771779 /nfs/dbraw/zinc/77/17/79/1111771779.db2.gz CCFVOZQSYSUUNS-LLVKDONJSA-N -1 1 361.816 4.390 20 0 FIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000479141123 1111955029 /nfs/dbraw/zinc/95/50/29/1111955029.db2.gz GNPLACPARWZRRS-UHFFFAOYSA-N -1 1 366.689 4.273 20 0 FIADMM COc1ccc(-c2csc3[n-]c(-c4cc(C)on4)nc(=O)c23)cc1OC ZINC000479178180 1111961276 /nfs/dbraw/zinc/96/12/76/1111961276.db2.gz FAURVWIHDPGFID-UHFFFAOYSA-N -1 1 369.402 4.045 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000479554015 1112070175 /nfs/dbraw/zinc/07/01/75/1112070175.db2.gz AIVZMWDYPCKIMG-UHFFFAOYSA-N -1 1 364.225 4.250 20 0 FIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2occ(C)c2c1 ZINC000480061465 1112262166 /nfs/dbraw/zinc/26/21/66/1112262166.db2.gz CGTRLUDDCHOPHY-UHFFFAOYSA-N -1 1 372.446 4.145 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480188942 1112327075 /nfs/dbraw/zinc/32/70/75/1112327075.db2.gz BFIAAFACCHMAME-UHFFFAOYSA-N -1 1 367.751 4.385 20 0 FIADMM CC(C)c1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)no1 ZINC000554864529 1112544015 /nfs/dbraw/zinc/54/40/15/1112544015.db2.gz ZZWWRZXFAHBQGM-UHFFFAOYSA-N -1 1 359.607 4.172 20 0 FIADMM C[C@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC=CCC1 ZINC000448623679 1112673530 /nfs/dbraw/zinc/67/35/30/1112673530.db2.gz FDRWNJPUCZKIDM-FQEVSTJZSA-N -1 1 370.474 4.172 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000555490321 1112891881 /nfs/dbraw/zinc/89/18/81/1112891881.db2.gz BZRWKKKMODOSTQ-ZDUSSCGKSA-N -1 1 371.481 4.066 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1C ZINC000555498632 1112902513 /nfs/dbraw/zinc/90/25/13/1112902513.db2.gz KIUICUWNVJTUCT-UHFFFAOYSA-N -1 1 373.474 4.177 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N(Cc1cccc(F)c1)C1CC1 ZINC000481594563 1112991204 /nfs/dbraw/zinc/99/12/04/1112991204.db2.gz GTBBHIQDSMGFPP-UHFFFAOYSA-N -1 1 364.214 4.099 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c2nccc(C)c2c1 ZINC000481601010 1112992923 /nfs/dbraw/zinc/99/29/23/1112992923.db2.gz UFWVSDMFCFSAOB-UHFFFAOYSA-N -1 1 358.401 4.200 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1Cl ZINC000481984928 1113144836 /nfs/dbraw/zinc/14/48/36/1113144836.db2.gz ORDKTTLVYPDMSJ-UHFFFAOYSA-N -1 1 365.669 4.459 20 0 FIADMM CCOc1cc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc(Cl)c1[O-] ZINC000482168669 1113191404 /nfs/dbraw/zinc/19/14/04/1113191404.db2.gz HULVQZGKHBJMLU-UHFFFAOYSA-N -1 1 357.837 4.132 20 0 FIADMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000158637132 1113251165 /nfs/dbraw/zinc/25/11/65/1113251165.db2.gz HNKWIILWFBMPPF-PBHICJAKSA-N -1 1 365.351 4.061 20 0 FIADMM CCn1c(C)cc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1C ZINC000482547095 1113290832 /nfs/dbraw/zinc/29/08/32/1113290832.db2.gz CWCVBWJSHQEPPC-UHFFFAOYSA-N -1 1 351.244 4.154 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]c3cc(F)ccc23)c1 ZINC000482546278 1113293829 /nfs/dbraw/zinc/29/38/29/1113293829.db2.gz AEKNMBLJFDNMLM-UHFFFAOYSA-N -1 1 363.186 4.336 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000482630008 1113314209 /nfs/dbraw/zinc/31/42/09/1113314209.db2.gz JIEAQDPYYUPHGX-JTQLQIEISA-N -1 1 352.203 4.344 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C(C)(C)C)on2)c1 ZINC000482637155 1113316927 /nfs/dbraw/zinc/31/69/27/1113316927.db2.gz JXIBGSWRNUUXEK-UHFFFAOYSA-N -1 1 353.216 4.001 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000482653820 1113323765 /nfs/dbraw/zinc/32/37/65/1113323765.db2.gz BJXVLQNHALUJNE-VIFPVBQESA-N -1 1 370.193 4.484 20 0 FIADMM COc1ccc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482670838 1113327461 /nfs/dbraw/zinc/32/74/61/1113327461.db2.gz HBTJXENPUBTCGL-UHFFFAOYSA-N -1 1 364.239 4.043 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc(C(C)C)s2)c1 ZINC000482705620 1113333577 /nfs/dbraw/zinc/33/35/77/1113333577.db2.gz HJDIWHPYLQGGMA-UHFFFAOYSA-N -1 1 355.257 4.295 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000482722981 1113342967 /nfs/dbraw/zinc/34/29/67/1113342967.db2.gz LMGWSDHWIMTMHP-UHFFFAOYSA-N -1 1 363.186 4.336 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2ccc(F)cc2)c1 ZINC000482735996 1113344865 /nfs/dbraw/zinc/34/48/65/1113344865.db2.gz NRPFCHMQKXYBAP-UHFFFAOYSA-N -1 1 352.203 4.174 20 0 FIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000483164704 1113460007 /nfs/dbraw/zinc/46/00/07/1113460007.db2.gz PKVCCGQIEQWRSD-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@H]3c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000486444101 1113569778 /nfs/dbraw/zinc/56/97/78/1113569778.db2.gz VIESPBACSQCKLK-SFHVURJKSA-N -1 1 364.424 4.342 20 0 FIADMM COCc1cccc2sc(NC(=O)Nc3ccc([O-])c(Cl)c3)nc21 ZINC000486943351 1113681512 /nfs/dbraw/zinc/68/15/12/1113681512.db2.gz UDPPOUMOKONPAR-UHFFFAOYSA-N -1 1 363.826 4.446 20 0 FIADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cccc([O-])c1Br ZINC000908711298 1113687344 /nfs/dbraw/zinc/68/73/44/1113687344.db2.gz UKROJESNCJJWKV-SSDOTTSWSA-N -1 1 353.043 4.067 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000908715191 1113688277 /nfs/dbraw/zinc/68/82/77/1113688277.db2.gz QDMWMTUDTGWMGT-DTWKUNHWSA-N -1 1 366.177 4.462 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000486987223 1113691288 /nfs/dbraw/zinc/69/12/88/1113691288.db2.gz FSVJGPQFPXJBAG-UHFFFAOYSA-N -1 1 360.200 4.408 20 0 FIADMM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486989593 1113691623 /nfs/dbraw/zinc/69/16/23/1113691623.db2.gz UNLNIDAXIVBCFI-UHFFFAOYSA-N -1 1 350.205 4.161 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CC[C@@H]1c1ccccc1 ZINC000487757613 1113801394 /nfs/dbraw/zinc/80/13/94/1113801394.db2.gz JZTMTTIYDPLARX-BBRMVZONSA-N -1 1 374.278 4.421 20 0 FIADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc4scnc4c3)ccc21 ZINC000489695578 1114157536 /nfs/dbraw/zinc/15/75/36/1114157536.db2.gz KZFWIGKRZHHQGW-UHFFFAOYSA-N -1 1 372.475 4.028 20 0 FIADMM CCCC[C@H](CC)C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000032681849 1114412691 /nfs/dbraw/zinc/41/26/91/1114412691.db2.gz QPQDKBQSWCNHJH-AWEZNQCLSA-N -1 1 359.495 4.096 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2CCC[C@H](C)C2)cc1 ZINC000055485212 1114475980 /nfs/dbraw/zinc/47/59/80/1114475980.db2.gz MGPOUXIUUTZCNG-HOTGVXAUSA-N -1 1 372.538 4.249 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 ZINC000055481305 1114476060 /nfs/dbraw/zinc/47/60/60/1114476060.db2.gz VPNRZEIFEXUFQE-GDBMZVCRSA-N -1 1 372.538 4.249 20 0 FIADMM CC(C)C[C@@H](C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000589876712 1114851765 /nfs/dbraw/zinc/85/17/65/1114851765.db2.gz HVJWLPUBKGQVMB-MRXNPFEDSA-N -1 1 374.506 4.498 20 0 FIADMM CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000004879105 1114859424 /nfs/dbraw/zinc/85/94/24/1114859424.db2.gz AMRLFOGMLOIIOO-UHFFFAOYSA-N -1 1 374.506 4.024 20 0 FIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1cccc(Cl)c1Cl ZINC000573021189 1115000458 /nfs/dbraw/zinc/00/04/58/1115000458.db2.gz OGBQLBDKAOOYJT-UHFFFAOYSA-N -1 1 365.188 4.402 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(Cl)ccc1OC1CCCC1)c1ccncc1 ZINC000573105172 1115050476 /nfs/dbraw/zinc/05/04/76/1115050476.db2.gz YEWFTKHPGIJXNS-GOSISDBHSA-N -1 1 374.868 4.362 20 0 FIADMM O=S(=O)([N-]c1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc(F)c1 ZINC000591796730 1115139714 /nfs/dbraw/zinc/13/97/14/1115139714.db2.gz OMRVPOJQNQKIBY-UHFFFAOYSA-N -1 1 369.286 4.281 20 0 FIADMM COc1ccc([C@@H](CC(=O)[O-])NCc2csc(Cl)c2Cl)cc1 ZINC000669470491 1115284622 /nfs/dbraw/zinc/28/46/22/1115284622.db2.gz KQEUZADDVPRTSA-GFCCVEGCSA-N -1 1 360.262 4.369 20 0 FIADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000574213152 1115295294 /nfs/dbraw/zinc/29/52/94/1115295294.db2.gz JUYYJUZAVQIUFV-IBGZPJMESA-N -1 1 373.880 4.262 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H](NCc2c(Cl)cccc2OC(F)F)c2ccccc21 ZINC000669478944 1115304315 /nfs/dbraw/zinc/30/43/15/1115304315.db2.gz ZWANDRWGKFGFFU-IUODEOHRSA-N -1 1 367.779 4.344 20 0 FIADMM O=C(NCC1(c2cccc(F)c2F)CCCC1)c1c(F)ccc([O-])c1F ZINC000574979620 1115526988 /nfs/dbraw/zinc/52/69/88/1115526988.db2.gz VAPWRZNJFVYOBS-UHFFFAOYSA-N -1 1 367.342 4.190 20 0 FIADMM COc1ccc(C(F)(F)C(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC001127174405 1115597459 /nfs/dbraw/zinc/59/74/59/1115597459.db2.gz FEILHQXULFKDJJ-MRXNPFEDSA-N -1 1 373.321 4.381 20 0 FIADMM [O-]C(Nc1nc(-c2ccccc2Cl)ns1)=C1CCCc2ccccc21 ZINC000599727134 1115839881 /nfs/dbraw/zinc/83/98/81/1115839881.db2.gz PWWPGBGWXRCBRL-CQSZACIVSA-N -1 1 369.877 4.339 20 0 FIADMM CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000061398989 1115842718 /nfs/dbraw/zinc/84/27/18/1115842718.db2.gz RQTAFMKLQWCYCV-NVNXTCNLSA-N -1 1 358.463 4.091 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1 ZINC000171598265 1115872399 /nfs/dbraw/zinc/87/23/99/1115872399.db2.gz ALQDJBPVANWTLJ-RDJZCZTQSA-N -1 1 372.538 4.247 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1 ZINC000605492463 1115903897 /nfs/dbraw/zinc/90/38/97/1115903897.db2.gz IQAOLBZNKLEGTK-SNVBAGLBSA-N -1 1 369.895 4.186 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000606229678 1115930665 /nfs/dbraw/zinc/93/06/65/1115930665.db2.gz DMWCZSUKPDRGMZ-QGZVFWFLSA-N -1 1 363.417 4.173 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000172596421 1115963590 /nfs/dbraw/zinc/96/35/90/1115963590.db2.gz POWZAWWZADFCSU-GJZGRUSLSA-N -1 1 372.538 4.247 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c2ccccc12 ZINC000607330876 1116019541 /nfs/dbraw/zinc/01/95/41/1116019541.db2.gz DWFDJUSKQOGJNU-UHFFFAOYSA-N -1 1 367.348 4.067 20 0 FIADMM CC[C@@H]1CCCCCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000173257370 1116046528 /nfs/dbraw/zinc/04/65/28/1116046528.db2.gz RTVJENTZZPERQQ-CYBMUJFWSA-N -1 1 364.540 4.240 20 0 FIADMM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccc2ncccc2c1 ZINC000607610877 1116048906 /nfs/dbraw/zinc/04/89/06/1116048906.db2.gz BMTPYFPYRPRTPD-UHFFFAOYSA-N -1 1 360.438 4.287 20 0 FIADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c1C ZINC000607613340 1116049254 /nfs/dbraw/zinc/04/92/54/1116049254.db2.gz ISSJNNNLYVPLQD-UHFFFAOYSA-N -1 1 373.453 4.127 20 0 FIADMM Cc1ccc2nc([N-]C(=O)c3noc(-c4cccc(F)c4)n3)sc2c1 ZINC000607995356 1116077686 /nfs/dbraw/zinc/07/76/86/1116077686.db2.gz FKMSFNJIWVISIT-UHFFFAOYSA-N -1 1 354.366 4.046 20 0 FIADMM O=C(CCc1cc(Br)ccc1F)Nc1ccc(F)cc1[O-] ZINC000533970109 1116090110 /nfs/dbraw/zinc/09/01/10/1116090110.db2.gz HIRZZPYNNFZPBQ-UHFFFAOYSA-N -1 1 356.166 4.004 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc1O ZINC000608342643 1116100530 /nfs/dbraw/zinc/10/05/30/1116100530.db2.gz SMWIJVRJHNFHOV-UHFFFAOYSA-N -1 1 371.458 4.442 20 0 FIADMM O=C(c1cc2cccc(F)c2o1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000608350019 1116101321 /nfs/dbraw/zinc/10/13/21/1116101321.db2.gz UTRMMMOEDVLJPB-UHFFFAOYSA-N -1 1 367.376 4.013 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C ZINC000534620507 1116218918 /nfs/dbraw/zinc/21/89/18/1116218918.db2.gz GGSQFGRXMIQHBH-UHFFFAOYSA-N -1 1 358.246 4.305 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534688014 1116225519 /nfs/dbraw/zinc/22/55/19/1116225519.db2.gz LPQZVPBYJLAWOC-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM CCOc1ccc(F)c([N-]C(=O)c2cnc([C@@H](C)OCC)s2)c1F ZINC000534771308 1116234423 /nfs/dbraw/zinc/23/44/23/1116234423.db2.gz GNWDMYGOPXGPPT-SECBINFHSA-N -1 1 356.394 4.170 20 0 FIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)c2C1 ZINC000539813569 1116384123 /nfs/dbraw/zinc/38/41/23/1116384123.db2.gz QYUTVETVGJBVEY-UHFFFAOYSA-N -1 1 374.506 4.000 20 0 FIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)n1 ZINC000491284738 1117812226 /nfs/dbraw/zinc/81/22/26/1117812226.db2.gz REMOGLUMVYMASX-NSHDSACASA-N -1 1 372.450 4.047 20 0 FIADMM CC(C)c1ccc2nc(-c3ccc(OC4CCOCC4)cc3)[n-]c(=O)c2c1 ZINC000463221543 1118033510 /nfs/dbraw/zinc/03/35/10/1118033510.db2.gz SWYVSPCTRQUYAP-UHFFFAOYSA-N -1 1 364.445 4.271 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1Cl ZINC000463526064 1118193650 /nfs/dbraw/zinc/19/36/50/1118193650.db2.gz DRVGYJQOIVXZOY-UHFFFAOYSA-N -1 1 370.908 4.472 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000464357859 1118533602 /nfs/dbraw/zinc/53/36/02/1118533602.db2.gz FFQDLIIOQGSCNJ-SSDOTTSWSA-N -1 1 355.765 4.014 20 0 FIADMM CCCc1cc(=O)[n-]c(SCc2coc(-c3ccc(F)c(F)c3)n2)n1 ZINC000303168252 1118846582 /nfs/dbraw/zinc/84/65/82/1118846582.db2.gz IFSFYVCVMWYOFE-UHFFFAOYSA-N -1 1 363.389 4.360 20 0 FIADMM COc1cccc([C@H](C)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1 ZINC000152155899 1119127754 /nfs/dbraw/zinc/12/77/54/1119127754.db2.gz FRBJRXFAFYLWIA-LBPRGKRZSA-N -1 1 353.340 4.066 20 0 FIADMM O=C(CCC1CCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000175981247 1119247886 /nfs/dbraw/zinc/24/78/86/1119247886.db2.gz DRRGHVDKORJCMU-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM Cc1cscc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000175981152 1119248224 /nfs/dbraw/zinc/24/82/24/1119248224.db2.gz QDTPHVIMBZEWOI-UHFFFAOYSA-N -1 1 372.471 4.110 20 0 FIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000003581298 1119383478 /nfs/dbraw/zinc/38/34/78/1119383478.db2.gz PUARUOYGJHASIQ-UHFFFAOYSA-N -1 1 372.309 4.280 20 0 FIADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000493335952 1119443187 /nfs/dbraw/zinc/44/31/87/1119443187.db2.gz MHOPFENMILWMRU-VIFPVBQESA-N -1 1 370.305 4.279 20 0 FIADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000007373212 1119478913 /nfs/dbraw/zinc/47/89/13/1119478913.db2.gz UAYQAORZUHGPHK-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)ccc1Br ZINC000007409069 1119480409 /nfs/dbraw/zinc/48/04/09/1119480409.db2.gz PZCSNCQHCVTWNX-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2occc2C(C)C)[nH][n-]1 ZINC000493781821 1119495967 /nfs/dbraw/zinc/49/59/67/1119495967.db2.gz DERATYGKGPLOSJ-UHFFFAOYSA-N -1 1 359.813 4.129 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000182863249 1119561900 /nfs/dbraw/zinc/56/19/00/1119561900.db2.gz NQJWSJBHRCCRON-UHFFFAOYSA-N -1 1 366.244 4.386 20 0 FIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000184806991 1119624125 /nfs/dbraw/zinc/62/41/25/1119624125.db2.gz XOEZNRASSHMJPX-UHFFFAOYSA-N -1 1 357.884 4.009 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1c(F)cccc1Cl ZINC000184863517 1119627258 /nfs/dbraw/zinc/62/72/58/1119627258.db2.gz HWPDKZYEWBQMGE-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM CCC(=C([O-])Nc1nc(-c2cccc(Cl)c2)ns1)c1ccccc1 ZINC000521555186 1119818483 /nfs/dbraw/zinc/81/84/83/1119818483.db2.gz JANWVFKLEDRDGD-HNNXBMFYSA-N -1 1 357.866 4.413 20 0 FIADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(CC(F)(F)F)cc1 ZINC000189242017 1119871084 /nfs/dbraw/zinc/87/10/84/1119871084.db2.gz RAVXCKVVPNTZBA-UHFFFAOYSA-N -1 1 354.353 4.074 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1Cl ZINC000494571497 1119907555 /nfs/dbraw/zinc/90/75/55/1119907555.db2.gz STHWGRHDCPTMKW-UHFFFAOYSA-N -1 1 364.898 4.173 20 0 FIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C)c(Cl)s3)c2C)o1 ZINC000190327846 1119934759 /nfs/dbraw/zinc/93/47/59/1119934759.db2.gz CCGWXDMYQSLWTG-UHFFFAOYSA-N -1 1 371.871 4.111 20 0 FIADMM Cc1nc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1Br ZINC000192267217 1120047987 /nfs/dbraw/zinc/04/79/87/1120047987.db2.gz UKZWOPWEGZBSQP-UHFFFAOYSA-N -1 1 356.607 4.156 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCSc3ccccc32)cc(Cl)c1[O-] ZINC000194341315 1120260716 /nfs/dbraw/zinc/26/07/16/1120260716.db2.gz GALBHAPGLYOTLY-AWEZNQCLSA-N -1 1 363.866 4.411 20 0 FIADMM CCC(CC)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000494836516 1120337319 /nfs/dbraw/zinc/33/73/19/1120337319.db2.gz JMZBFNVDMKZFMZ-UHFFFAOYSA-N -1 1 374.506 4.138 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000153338779 1120509472 /nfs/dbraw/zinc/50/94/72/1120509472.db2.gz LXIMCHLRMQAGQS-APWZRJJASA-N -1 1 367.470 4.335 20 0 FIADMM FC(F)(F)[C@H]([N-]c1nc(Cl)nc(C2CCCC2)n1)c1ccccn1 ZINC001168482767 1120572283 /nfs/dbraw/zinc/57/22/83/1120572283.db2.gz ZHQWTDLSESIMMO-LLVKDONJSA-N -1 1 357.767 4.293 20 0 FIADMM CC(C)c1ocnc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000762516170 1120919739 /nfs/dbraw/zinc/91/97/39/1120919739.db2.gz XZVZVEWQYDQKHC-CQSZACIVSA-N -1 1 368.462 4.370 20 0 FIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176613432 1120929958 /nfs/dbraw/zinc/92/99/58/1120929958.db2.gz GXHZEOQNFQWBSL-QWHCGFSZSA-N -1 1 364.540 4.096 20 0 FIADMM CCOc1cc(C(=O)NC[C@H](C)c2nc3ccccc3o2)cc(Cl)c1[O-] ZINC000762609920 1120937863 /nfs/dbraw/zinc/93/78/63/1120937863.db2.gz BZGJCOGIHCNMIZ-NSHDSACASA-N -1 1 374.824 4.119 20 0 FIADMM O=C([O-])CC[C@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000236416874 1120965268 /nfs/dbraw/zinc/96/52/68/1120965268.db2.gz KITPVWJQHFHDDX-CYBMUJFWSA-N -1 1 360.679 4.322 20 0 FIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000031666979 1121089300 /nfs/dbraw/zinc/08/93/00/1121089300.db2.gz NQXJPIDMTCLHJP-UHFFFAOYSA-N -1 1 366.870 4.044 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000032086084 1121100359 /nfs/dbraw/zinc/10/03/59/1121100359.db2.gz ZXPWGTLKECOWIN-UHFFFAOYSA-N -1 1 355.463 4.076 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c(C)c1 ZINC000036760499 1121132367 /nfs/dbraw/zinc/13/23/67/1121132367.db2.gz ZALBPUPUEOFDDA-UHFFFAOYSA-N -1 1 368.458 4.078 20 0 FIADMM CCC(CC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000046555119 1121283494 /nfs/dbraw/zinc/28/34/94/1121283494.db2.gz OZLTVZNBYVEQDK-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(F)c2ncccc12 ZINC000032585660 1121336796 /nfs/dbraw/zinc/33/67/96/1121336796.db2.gz KXHCRNOGEWEWRX-UHFFFAOYSA-N -1 1 370.327 4.194 20 0 FIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000032599810 1121337485 /nfs/dbraw/zinc/33/74/85/1121337485.db2.gz IYDKMYMOSLMNRS-UHFFFAOYSA-N -1 1 370.268 4.039 20 0 FIADMM CC(C)CCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931645 1121348160 /nfs/dbraw/zinc/34/81/60/1121348160.db2.gz KQEFAKJIIIUCIH-UHFFFAOYSA-N -1 1 364.442 4.001 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000058494406 1121403674 /nfs/dbraw/zinc/40/36/74/1121403674.db2.gz LRVVCSOVKXLHSV-UHFFFAOYSA-N -1 1 358.385 4.024 20 0 FIADMM CCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060412192 1121472571 /nfs/dbraw/zinc/47/25/71/1121472571.db2.gz MWHVZLGSGLPLGM-UHFFFAOYSA-N -1 1 360.479 4.315 20 0 FIADMM O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1cc2ccccc2cc1[O-] ZINC000916464225 1121510832 /nfs/dbraw/zinc/51/08/32/1121510832.db2.gz FMGAOOOADJDXPX-UHFFFAOYSA-N -1 1 370.408 4.008 20 0 FIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000037369301 1121572142 /nfs/dbraw/zinc/57/21/42/1121572142.db2.gz LTPKPKJSUKAXPA-UHFFFAOYSA-N -1 1 366.280 4.047 20 0 FIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000037576029 1121582375 /nfs/dbraw/zinc/58/23/75/1121582375.db2.gz AMHAJIDVHLMYCZ-UHFFFAOYSA-N -1 1 370.268 4.037 20 0 FIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000124940976 1121732877 /nfs/dbraw/zinc/73/28/77/1121732877.db2.gz QVNKUWAPFIPXHD-UHFFFAOYSA-N -1 1 374.384 4.048 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1Br)c1ccccc1 ZINC000125678099 1121805194 /nfs/dbraw/zinc/80/51/94/1121805194.db2.gz ZVSZSCWWINKGHT-CQSZACIVSA-N -1 1 354.631 4.018 20 0 FIADMM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000068074997 1121808413 /nfs/dbraw/zinc/80/84/13/1121808413.db2.gz DASZXBVLYRSHGK-UHFFFAOYSA-N -1 1 365.454 4.108 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c(Cl)c1 ZINC000916729738 1121832672 /nfs/dbraw/zinc/83/26/72/1121832672.db2.gz GDWJNEDLEFLNOC-UHFFFAOYSA-N -1 1 359.278 4.169 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc2c(c1)CCCC2 ZINC000615953108 1121885805 /nfs/dbraw/zinc/88/58/05/1121885805.db2.gz JKPKAJZEAZVKFH-UHFFFAOYSA-N -1 1 354.431 4.021 20 0 FIADMM O=C(CCC(=O)Nc1ccc([O-])c(Cl)c1)CCC(=O)c1cccs1 ZINC000111667073 1121961177 /nfs/dbraw/zinc/96/11/77/1121961177.db2.gz PMDIOKQSCXFCHQ-UHFFFAOYSA-N -1 1 365.838 4.058 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1Cl ZINC000055567381 1122253907 /nfs/dbraw/zinc/25/39/07/1122253907.db2.gz ZBKWLIUPIXHNPV-UHFFFAOYSA-N -1 1 366.870 4.044 20 0 FIADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)s1 ZINC000055977011 1122285017 /nfs/dbraw/zinc/28/50/17/1122285017.db2.gz UTOHAWSHYILDFT-UHFFFAOYSA-N -1 1 362.842 4.396 20 0 FIADMM O=C(Nc1ccc(-c2nccs2)cc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000497768383 1122398876 /nfs/dbraw/zinc/39/88/76/1122398876.db2.gz LLSKXDJULXHHLO-UHFFFAOYSA-N -1 1 374.425 4.017 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)cc1 ZINC000917751546 1122427505 /nfs/dbraw/zinc/42/75/05/1122427505.db2.gz GEECPWFXJBUTND-CYBMUJFWSA-N -1 1 362.451 4.179 20 0 FIADMM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1ccc2ccccc2c1[O-] ZINC000917797795 1122444189 /nfs/dbraw/zinc/44/41/89/1122444189.db2.gz BTMNLTULNOFLRO-UHFFFAOYSA-N -1 1 364.376 4.064 20 0 FIADMM C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N(C)CCC(=O)[O-] ZINC000262690858 1122506322 /nfs/dbraw/zinc/50/63/22/1122506322.db2.gz ZLCFLRASSPGVSV-AWEZNQCLSA-N -1 1 371.868 4.206 20 0 FIADMM COc1ccccc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000556322476 1122808839 /nfs/dbraw/zinc/80/88/39/1122808839.db2.gz ZCHOOZCYBOEVEY-OAHLLOKOSA-N -1 1 353.340 4.020 20 0 FIADMM O=C(Cc1cc(Cl)ccc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000498637812 1122925195 /nfs/dbraw/zinc/92/51/95/1122925195.db2.gz IKAKRZLJIULEER-UHFFFAOYSA-N -1 1 362.216 4.270 20 0 FIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2sccc2s1 ZINC000919631251 1123068540 /nfs/dbraw/zinc/06/85/40/1123068540.db2.gz FRQJJDCHNPQCGV-UHFFFAOYSA-N -1 1 358.396 4.132 20 0 FIADMM CCCCCN(Cc1ccc(F)cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074273379 1123334621 /nfs/dbraw/zinc/33/46/21/1123334621.db2.gz OOVZYPKRVXDTLZ-UHFFFAOYSA-N -1 1 367.424 4.307 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000920086150 1123344845 /nfs/dbraw/zinc/34/48/45/1123344845.db2.gz ZAHZBMDYYIBDNS-UHFFFAOYSA-N -1 1 365.260 4.189 20 0 FIADMM CCC/C(C)=C/C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920290987 1123439720 /nfs/dbraw/zinc/43/97/20/1123439720.db2.gz RNMFLTHUZUFTQV-FYWRMAATSA-N -1 1 358.463 4.172 20 0 FIADMM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920453653 1123459878 /nfs/dbraw/zinc/45/98/78/1123459878.db2.gz BZZXHNWEXUNWLM-AWEZNQCLSA-N -1 1 370.880 4.101 20 0 FIADMM C[C@H](Cc1cccc(Br)c1)NC(=O)c1c([O-])cccc1Cl ZINC000920464419 1123460423 /nfs/dbraw/zinc/46/04/23/1123460423.db2.gz GOQRVXWMIWQSDC-SNVBAGLBSA-N -1 1 368.658 4.169 20 0 FIADMM CCN(c1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1)C(C)C ZINC000921205438 1123589440 /nfs/dbraw/zinc/58/94/40/1123589440.db2.gz UNDYLXJRXJLFJL-UHFFFAOYSA-N -1 1 362.495 4.039 20 0 FIADMM Cc1cccc2nc(CCC(=O)Nc3ccc(O)c(C(F)(F)F)c3)[nH]c21 ZINC000134138606 1123595004 /nfs/dbraw/zinc/59/50/04/1123595004.db2.gz ATAJUIPFIKIHOC-UHFFFAOYSA-N -1 1 363.339 4.167 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000134677396 1123660322 /nfs/dbraw/zinc/66/03/22/1123660322.db2.gz LDZWUSWGWOFNLB-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=S(=O)([N-]c1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000135357014 1123742650 /nfs/dbraw/zinc/74/26/50/1123742650.db2.gz ZPGVNFIYLUZEFY-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1cc2ccccc2o1 ZINC000135514563 1123769012 /nfs/dbraw/zinc/76/90/12/1123769012.db2.gz WDLWOQZAZGZGTC-UHFFFAOYSA-N -1 1 363.345 4.048 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000080003106 1123942801 /nfs/dbraw/zinc/94/28/01/1123942801.db2.gz FNDAAKWCZUIYJI-UHFFFAOYSA-N -1 1 354.356 4.081 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCCc3sccc32)cc(Cl)c1[O-] ZINC000137362364 1123970362 /nfs/dbraw/zinc/97/03/62/1123970362.db2.gz OJFFEOGMPSJPDH-CYBMUJFWSA-N -1 1 351.855 4.313 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3Cl)no2)n[n-]1 ZINC001212429527 1124213648 /nfs/dbraw/zinc/21/36/48/1124213648.db2.gz HZZODKZNSIDOAP-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM CC(=O)c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3Cl)no2)[n-]n1 ZINC001212429527 1124213656 /nfs/dbraw/zinc/21/36/56/1124213656.db2.gz HZZODKZNSIDOAP-UHFFFAOYSA-N -1 1 356.691 4.002 20 0 FIADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc2cccc(Cl)c2n1 ZINC000542787970 1124279225 /nfs/dbraw/zinc/27/92/25/1124279225.db2.gz DJBDRZOUMAVKMA-UHFFFAOYSA-N -1 1 368.792 4.108 20 0 FIADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCCC2)c(F)c1 ZINC001212288957 1124431618 /nfs/dbraw/zinc/43/16/18/1124431618.db2.gz NHICLONGHLEPAY-QGZVFWFLSA-N -1 1 373.465 4.001 20 0 FIADMM O=S(=O)([N-]C1CCCCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000303810297 1124487804 /nfs/dbraw/zinc/48/78/04/1124487804.db2.gz KZVAZSIUHKELTM-UHFFFAOYSA-N -1 1 355.809 4.360 20 0 FIADMM CSc1c(F)cccc1[N-]C(=O)c1oc(COC(C)(C)C)nc1C ZINC000617276669 1124502700 /nfs/dbraw/zinc/50/27/00/1124502700.db2.gz MGNOXRMCSSDBIV-UHFFFAOYSA-N -1 1 352.431 4.411 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nnc(-c2ccccc2)o1 ZINC000109713555 1124589973 /nfs/dbraw/zinc/58/99/73/1124589973.db2.gz LYBABEJSZFFCMM-QMMMGPOBSA-N -1 1 368.340 4.104 20 0 FIADMM CCC(CC)c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000547089158 1124805681 /nfs/dbraw/zinc/80/56/81/1124805681.db2.gz NUJTZFMIGQYXPV-UHFFFAOYSA-N -1 1 371.462 4.441 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2s1 ZINC000007505274 1124907946 /nfs/dbraw/zinc/90/79/46/1124907946.db2.gz PXSMLNBYRZTZRA-UHFFFAOYSA-N -1 1 372.393 4.424 20 0 FIADMM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000111668567 1124922364 /nfs/dbraw/zinc/92/23/64/1124922364.db2.gz NNSNQCLVXOJDPY-UHFFFAOYSA-N -1 1 362.813 4.489 20 0 FIADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1scnc1C1CC1 ZINC000089821575 1124949886 /nfs/dbraw/zinc/94/98/86/1124949886.db2.gz OEXBFMHHLBQWMB-UHFFFAOYSA-N -1 1 360.489 4.276 20 0 FIADMM O=C(Nc1nc2c(cccc2Br)s1)c1ccc([O-])c(F)c1 ZINC000672352618 1125032143 /nfs/dbraw/zinc/03/21/43/1125032143.db2.gz CZFUTAAJTPISKU-UHFFFAOYSA-N -1 1 367.199 4.156 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC000618071210 1125043659 /nfs/dbraw/zinc/04/36/59/1125043659.db2.gz PWRFHWHRUVNDIX-UHFFFAOYSA-N -1 1 361.530 4.465 20 0 FIADMM Cn1ncc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1-c1ccccc1 ZINC000672519813 1125153290 /nfs/dbraw/zinc/15/32/90/1125153290.db2.gz HXOVPEDFJKNTDZ-UHFFFAOYSA-N -1 1 361.323 4.064 20 0 FIADMM C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000077797155 1125269617 /nfs/dbraw/zinc/26/96/17/1125269617.db2.gz MNMAMUYIPFHWPP-HNNXBMFYSA-N -1 1 360.498 4.211 20 0 FIADMM O=C1[N-]C(=S)SC1=CC1=Cc2cc(Br)ccc2OC1 ZINC000054182460 221051658 /nfs/dbraw/zinc/05/16/58/221051658.db2.gz ORCHEVQYGCNYPP-WCIBSUBMSA-N -1 1 354.250 4.097 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000067659715 221268508 /nfs/dbraw/zinc/26/85/08/221268508.db2.gz XFQIXPUUEBQFCQ-UHFFFAOYSA-N -1 1 358.385 4.078 20 0 FIADMM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)ccc1F ZINC000071795409 221376021 /nfs/dbraw/zinc/37/60/21/221376021.db2.gz IGGFBCQYDOHWOH-INIZCTEOSA-N -1 1 357.809 4.048 20 0 FIADMM Cc1ccccc1[C@H](C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000604786213 568366619 /nfs/dbraw/zinc/36/66/19/568366619.db2.gz FSQKQIMTLONJEQ-QGZVFWFLSA-N -1 1 365.473 4.316 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c(C)c1 ZINC000028195813 568520225 /nfs/dbraw/zinc/52/02/25/568520225.db2.gz VPTBSURPASEGQM-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c1C ZINC000605118991 568573595 /nfs/dbraw/zinc/57/35/95/568573595.db2.gz SVGSAZJOJRKOTK-UHFFFAOYSA-N -1 1 367.474 4.178 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3c(F)ccc(C)c3F)n2)s1 ZINC000499656367 1125578838 /nfs/dbraw/zinc/57/88/38/1125578838.db2.gz AGKCSXQFLNQLNX-UHFFFAOYSA-N -1 1 351.403 4.414 20 0 FIADMM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2ccc(F)cc2s1 ZINC000021201108 1079682707 /nfs/dbraw/zinc/68/27/07/1079682707.db2.gz MTADZUBGRXVWJW-UHFFFAOYSA-N -1 1 372.465 4.018 20 0 FIADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000263094439 1125774585 /nfs/dbraw/zinc/77/45/85/1125774585.db2.gz VBKLSQMQZKGTKT-KOLCDFICSA-N -1 1 369.305 4.267 20 0 FIADMM O=C([O-])c1cccc(CNCc2cc(Br)ccc2Cl)c1 ZINC000683170625 1079796161 /nfs/dbraw/zinc/79/61/61/1079796161.db2.gz PEMNFOVMCCLXRG-UHFFFAOYSA-N -1 1 354.631 4.091 20 0 FIADMM CC(=O)Nc1ccc(-c2nc3ccc(Oc4ccccc4)cc3c(=O)[n-]2)cc1 ZINC000620127621 1125785122 /nfs/dbraw/zinc/78/51/22/1125785122.db2.gz YDFANGMKQXPHNS-UHFFFAOYSA-N -1 1 371.396 4.341 20 0 FIADMM COc1ccc2cc(CN[C@H](C(=O)[O-])c3cc(F)ccc3F)ccc2c1 ZINC000683174200 1079810413 /nfs/dbraw/zinc/81/04/13/1079810413.db2.gz RGDYSTMNNHOLHA-IBGZPJMESA-N -1 1 357.356 4.042 20 0 FIADMM Cc1cc(C(F)(F)F)ccc1CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000683174661 1079812324 /nfs/dbraw/zinc/81/23/24/1079812324.db2.gz WJEMPZPGMZURJL-HNNXBMFYSA-N -1 1 359.294 4.208 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1cccc(F)c1 ZINC000026548184 1079905799 /nfs/dbraw/zinc/90/57/99/1079905799.db2.gz HTPVDAONOQSINV-UHFFFAOYSA-N -1 1 358.394 4.159 20 0 FIADMM CC1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000024166977 1080095245 /nfs/dbraw/zinc/09/52/45/1080095245.db2.gz YGFGPCOIAVVACB-UHFFFAOYSA-N -1 1 357.454 4.435 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2cc(-c3ccccc3)no2)[n-]1 ZINC000261437526 1080494370 /nfs/dbraw/zinc/49/43/70/1080494370.db2.gz YCXIAXAVONVXSY-UHFFFAOYSA-N -1 1 353.325 4.148 20 0 FIADMM CC(=O)Nc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1Cl ZINC000063334247 1080522502 /nfs/dbraw/zinc/52/25/02/1080522502.db2.gz STLGDLBGFIEVEQ-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM CCOc1cc(-c2noc(-c3ccoc3C)n2)cc(Br)c1[O-] ZINC000109507805 1080589320 /nfs/dbraw/zinc/58/93/20/1080589320.db2.gz LGVXEJIIPCIXFP-UHFFFAOYSA-N -1 1 365.183 4.172 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000647052647 1081178694 /nfs/dbraw/zinc/17/86/94/1081178694.db2.gz UBDLLXZKGDHEGV-CQSZACIVSA-N -1 1 351.830 4.192 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCc4cccnc4)cc3)n2)cc1F ZINC000683592830 1081187206 /nfs/dbraw/zinc/18/72/06/1081187206.db2.gz SGGFMPOJGKTGAE-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM Cc1cc(CCNC(=O)c2ccc(Br)c([O-])c2)ccc1Cl ZINC001648823733 1081251639 /nfs/dbraw/zinc/25/16/39/1081251639.db2.gz IZRNKLATTGGQPN-UHFFFAOYSA-N -1 1 368.658 4.089 20 0 FIADMM Cc1ccc(O[C@H](C)C(=O)Nc2cccc(F)c2[O-])c(Br)c1 ZINC001648847217 1081288352 /nfs/dbraw/zinc/28/83/52/1081288352.db2.gz MQVAWUSSNPCOSX-SNVBAGLBSA-N -1 1 368.202 4.008 20 0 FIADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc(F)c2[O-])s1 ZINC001648847522 1081288729 /nfs/dbraw/zinc/28/87/29/1081288729.db2.gz RKGAKJPDBKTAHL-UHFFFAOYSA-N -1 1 356.422 4.453 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC001648850646 1081295593 /nfs/dbraw/zinc/29/55/93/1081295593.db2.gz KPQAWVOXYHRUBT-UHFFFAOYSA-N -1 1 366.270 4.457 20 0 FIADMM O=C(Cc1cc(Br)ccc1Cl)Nc1cccc(F)c1[O-] ZINC001648851246 1081298851 /nfs/dbraw/zinc/29/88/51/1081298851.db2.gz ZWGBGEQTPHUTHV-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM Cc1cnc(C(=O)N2CCC[C@]2(C)Cc2ccc(Cl)c(F)c2)c([O-])c1 ZINC001648884957 1081344343 /nfs/dbraw/zinc/34/43/43/1081344343.db2.gz RQYCSEICYZRMNP-LJQANCHMSA-N -1 1 362.832 4.126 20 0 FIADMM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000122650875 1081400253 /nfs/dbraw/zinc/40/02/53/1081400253.db2.gz MPIQRBIUGWYYKM-LBPRGKRZSA-N -1 1 357.435 4.375 20 0 FIADMM CON(C(=O)c1ccc([O-])cc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001167365251 1081734451 /nfs/dbraw/zinc/73/44/51/1081734451.db2.gz UQCFJSFMJSISSC-SNVBAGLBSA-N -1 1 357.303 4.315 20 0 FIADMM CCOC(=O)CCc1cncc(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210927756 1081858883 /nfs/dbraw/zinc/85/88/83/1081858883.db2.gz YGBWWLLRMQBDEL-UHFFFAOYSA-N -1 1 355.221 4.333 20 0 FIADMM CCc1nc(S[C@H](C)C(=O)Nc2cccc3ccccc32)[n-]c(=O)c1C ZINC000580785051 1082137600 /nfs/dbraw/zinc/13/76/00/1082137600.db2.gz MZCGMDFBOWLBIZ-CYBMUJFWSA-N -1 1 367.474 4.326 20 0 FIADMM Cc1onc(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)c1C(=O)[O-] ZINC000580838833 1082182801 /nfs/dbraw/zinc/18/28/01/1082182801.db2.gz SXPCYBMGCSQILB-FQEVSTJZSA-N -1 1 362.429 4.023 20 0 FIADMM COc1ccc(COCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)cc1 ZINC001167439801 1082244129 /nfs/dbraw/zinc/24/41/29/1082244129.db2.gz ICBPHKKIOXPECZ-UHFFFAOYSA-N -1 1 371.820 4.363 20 0 FIADMM O=C([O-])c1cccc(Br)c1CN1CCC(c2ccco2)CC1 ZINC000656757224 1082751419 /nfs/dbraw/zinc/75/14/19/1082751419.db2.gz MSFCFFUIGBUOTN-UHFFFAOYSA-N -1 1 364.239 4.120 20 0 FIADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000175984422 1083048985 /nfs/dbraw/zinc/04/89/85/1083048985.db2.gz HSXZQJHPEOXUQD-LLVKDONJSA-N -1 1 368.330 4.017 20 0 FIADMM Cc1cc2sc([N-]C(=O)c3noc(-c4cccc(F)c4)n3)nc2cc1F ZINC000684515723 1083210455 /nfs/dbraw/zinc/21/04/55/1083210455.db2.gz VWAWXVSVXNIZRC-UHFFFAOYSA-N -1 1 372.356 4.185 20 0 FIADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000471919147 1083318457 /nfs/dbraw/zinc/31/84/57/1083318457.db2.gz BRQFBZKMXVWCGE-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Br)s1 ZINC000132474271 1083403672 /nfs/dbraw/zinc/40/36/72/1083403672.db2.gz VDRXHIFHTWKFQV-UHFFFAOYSA-N -1 1 360.298 4.182 20 0 FIADMM Cc1ncc(CN(C)Cc2c(C(=O)[O-])sc3cccc(F)c32)s1 ZINC000400121450 1083518913 /nfs/dbraw/zinc/51/89/13/1083518913.db2.gz PQOAHWUFCURDCN-UHFFFAOYSA-N -1 1 350.440 4.136 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)c(C)c1C ZINC000471979671 1083734019 /nfs/dbraw/zinc/73/40/19/1083734019.db2.gz RVPIMDWLZPRGEC-UHFFFAOYSA-N -1 1 351.493 4.143 20 0 FIADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548928239 1083782916 /nfs/dbraw/zinc/78/29/16/1083782916.db2.gz UIUBIEYMHWLHLF-UHFFFAOYSA-N -1 1 362.763 4.144 20 0 FIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000471996664 1083973685 /nfs/dbraw/zinc/97/36/85/1083973685.db2.gz BFZCTGOHLGVJOC-UHFFFAOYSA-N -1 1 361.463 4.292 20 0 FIADMM CC(C)(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000431668818 1083995367 /nfs/dbraw/zinc/99/53/67/1083995367.db2.gz BQLGOIJUQZLCFT-UHFFFAOYSA-N -1 1 374.506 4.498 20 0 FIADMM CCC(CC)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000015615476 1084043218 /nfs/dbraw/zinc/04/32/18/1084043218.db2.gz NBQOZEPRXWOKTH-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM CCOc1cc(C(=O)NCc2cnccc2C(C)(C)C)cc(Cl)c1[O-] ZINC000413939273 1084126153 /nfs/dbraw/zinc/12/61/53/1084126153.db2.gz ODIYMUHAMUVHNH-UHFFFAOYSA-N -1 1 362.857 4.067 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1coc(C2CCCCC2)n1 ZINC000548587384 1084226133 /nfs/dbraw/zinc/22/61/33/1084226133.db2.gz JZEKCIVWLMDGQC-UHFFFAOYSA-N -1 1 354.435 4.493 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000092764707 1084265445 /nfs/dbraw/zinc/26/54/45/1084265445.db2.gz IXVRJFOHDOMYAI-UHFFFAOYSA-N -1 1 362.404 4.398 20 0 FIADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000051467802 1084710055 /nfs/dbraw/zinc/71/00/55/1084710055.db2.gz RAQPYYGVSGHTLA-HNAYVOBHSA-N -1 1 359.853 4.286 20 0 FIADMM CC(C)Cn1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c2ccccc21 ZINC000066639069 1084836579 /nfs/dbraw/zinc/83/65/79/1084836579.db2.gz JJYYDEHYQSMZLH-UHFFFAOYSA-N -1 1 371.510 4.062 20 0 FIADMM CC(C)n1c(CNC(=O)[C@H](C)c2c(Cl)cccc2Cl)n[n-]c1=S ZINC000066638960 1084836594 /nfs/dbraw/zinc/83/65/94/1084836594.db2.gz YBWZWVSPGKQIAX-SECBINFHSA-N -1 1 373.309 4.248 20 0 FIADMM O=C(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868967 1084993682 /nfs/dbraw/zinc/99/36/82/1084993682.db2.gz LVLPRTDBLNQVTI-UHFFFAOYSA-N -1 1 360.129 4.426 20 0 FIADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000684872885 1085006893 /nfs/dbraw/zinc/00/68/93/1085006893.db2.gz BBALKUUZWULFSX-VIFPVBQESA-N -1 1 358.385 4.318 20 0 FIADMM Cc1nc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)sc1C ZINC000684875954 1085017252 /nfs/dbraw/zinc/01/72/52/1085017252.db2.gz NTMXDQNKKFPGBG-UHFFFAOYSA-N -1 1 358.385 4.149 20 0 FIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2o1 ZINC000175922957 1085036995 /nfs/dbraw/zinc/03/69/95/1085036995.db2.gz AJXKUALQZFOKMF-UHFFFAOYSA-N -1 1 374.462 4.073 20 0 FIADMM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2ccccc2c1[O-] ZINC000175916202 1085042516 /nfs/dbraw/zinc/04/25/16/1085042516.db2.gz WDQBPQUTBKTWOD-UHFFFAOYSA-N -1 1 357.369 4.380 20 0 FIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)n1 ZINC000175970312 1085048737 /nfs/dbraw/zinc/04/87/37/1085048737.db2.gz MOSWTGXFCQVVEP-UHFFFAOYSA-N -1 1 371.462 4.025 20 0 FIADMM Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000582574565 1085180276 /nfs/dbraw/zinc/18/02/76/1085180276.db2.gz HPFPPUXIBPVMFZ-QMMMGPOBSA-N -1 1 373.812 4.201 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1 ZINC000511870001 1085234569 /nfs/dbraw/zinc/23/45/69/1085234569.db2.gz UPCPEDXVNCPDEE-UHFFFAOYSA-N -1 1 356.447 4.440 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(C3CCC3)c2)CC1 ZINC000684973153 1085358023 /nfs/dbraw/zinc/35/80/23/1085358023.db2.gz AIGVDLPQIGAMRF-UHFFFAOYSA-N -1 1 363.457 4.395 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](c4ccccc4)[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000078410901 1085748873 /nfs/dbraw/zinc/74/88/73/1085748873.db2.gz HKJPGJAPVOYMTD-QRWLVFNGSA-N -1 1 374.488 4.079 20 0 FIADMM Cc1cccc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)[n-]c(=O)c12 ZINC000461756759 1085765712 /nfs/dbraw/zinc/76/57/12/1085765712.db2.gz OUQLYXGRBCHMLS-UHFFFAOYSA-N -1 1 359.414 4.311 20 0 FIADMM CCC(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000061196988 1085812981 /nfs/dbraw/zinc/81/29/81/1085812981.db2.gz WHBHDQAOXKYUQL-UHFFFAOYSA-N -1 1 374.506 4.023 20 0 FIADMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3csc4ccccc34)cnc2n1 ZINC000613863754 1085992948 /nfs/dbraw/zinc/99/29/48/1085992948.db2.gz NHBDFSVEIGYQGG-UHFFFAOYSA-N -1 1 363.442 4.131 20 0 FIADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)Cc1csc3ccccc13)c2=O ZINC000613863754 1085992952 /nfs/dbraw/zinc/99/29/52/1085992952.db2.gz NHBDFSVEIGYQGG-UHFFFAOYSA-N -1 1 363.442 4.131 20 0 FIADMM COCCOCc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1 ZINC000582988990 1085998210 /nfs/dbraw/zinc/99/82/10/1085998210.db2.gz AMWWDWNFKPXGPZ-UHFFFAOYSA-N -1 1 370.474 4.106 20 0 FIADMM O=C([O-])c1cccc(Br)c1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000652428488 1086033739 /nfs/dbraw/zinc/03/37/39/1086033739.db2.gz PHECTLWJNPJYBF-GJZGRUSLSA-N -1 1 370.312 4.007 20 0 FIADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000652438137 1086048664 /nfs/dbraw/zinc/04/86/64/1086048664.db2.gz YBZYOJKLRQNQMR-OAHLLOKOSA-N -1 1 363.816 4.221 20 0 FIADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000652438136 1086049388 /nfs/dbraw/zinc/04/93/88/1086049388.db2.gz YBZYOJKLRQNQMR-HNNXBMFYSA-N -1 1 363.816 4.221 20 0 FIADMM CC(C)c1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000652496871 1086121230 /nfs/dbraw/zinc/12/12/30/1086121230.db2.gz FVDYHQKJJBIFBJ-KBXCAEBGSA-N -1 1 358.507 4.476 20 0 FIADMM C[C@@H]1CN(Cc2nc(-c3ccccc3Cl)cs2)CC[C@@H]1C(=O)[O-] ZINC000652496875 1086121606 /nfs/dbraw/zinc/12/16/06/1086121606.db2.gz FWUYVGRLFBCMAQ-NEPJUHHUSA-N -1 1 350.871 4.006 20 0 FIADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652499992 1086137551 /nfs/dbraw/zinc/13/75/51/1086137551.db2.gz VVYKVBQDOICIAF-OLZOCXBDSA-N -1 1 365.424 4.315 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000549583774 1086284852 /nfs/dbraw/zinc/28/48/52/1086284852.db2.gz BLULBOXYXWOQFM-GJZGRUSLSA-N -1 1 353.809 4.178 20 0 FIADMM O=C([O-])CC[C@@H](CNCc1cc(Cl)sc1Cl)C(F)(F)F ZINC000663260994 1086344440 /nfs/dbraw/zinc/34/44/40/1086344440.db2.gz GHBBEVVCIDUFOZ-ZETCQYMHSA-N -1 1 350.189 4.188 20 0 FIADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(OCc3cccnc3)cc2)no1 ZINC000184853181 1086363042 /nfs/dbraw/zinc/36/30/42/1086363042.db2.gz NLBOQWGWADWLEB-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM CCOc1cc(-c2noc(C3CC4(CC4)C3)n2)cc(Br)c1[O-] ZINC000663302508 1086389847 /nfs/dbraw/zinc/38/98/47/1086389847.db2.gz NJQZJRPULVMFGE-UHFFFAOYSA-N -1 1 365.227 4.261 20 0 FIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000583277685 1086513350 /nfs/dbraw/zinc/51/33/50/1086513350.db2.gz HFHXGZRVYKAGAF-UHFFFAOYSA-N -1 1 360.813 4.239 20 0 FIADMM Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)c(OCCC(C)C)c1 ZINC000583290358 1086530732 /nfs/dbraw/zinc/53/07/32/1086530732.db2.gz SUXSDBCZQGRMJF-UHFFFAOYSA-N -1 1 363.404 4.334 20 0 FIADMM CS[C@H]1CCCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000583446207 1086693847 /nfs/dbraw/zinc/69/38/47/1086693847.db2.gz TWGXLHJQCPSGCP-INIZCTEOSA-N -1 1 362.520 4.226 20 0 FIADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000583490503 1086736092 /nfs/dbraw/zinc/73/60/92/1086736092.db2.gz JGEVOGWPEAJQDD-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CCSc1ccccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000637265650 1086888739 /nfs/dbraw/zinc/88/87/39/1086888739.db2.gz CJVDMPPRFZLNNP-UHFFFAOYSA-N -1 1 369.486 4.239 20 0 FIADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1Cl)c1ccccc1 ZINC000168222461 1086999372 /nfs/dbraw/zinc/99/93/72/1086999372.db2.gz LHPNNQZUEGREJN-AWEZNQCLSA-N -1 1 354.631 4.018 20 0 FIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000536183935 1087085191 /nfs/dbraw/zinc/08/51/91/1087085191.db2.gz PNQCUYYOWJBFHT-UHFFFAOYSA-N -1 1 365.405 4.254 20 0 FIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1noc(-c2ccccc2)n1 ZINC000584022486 1087113293 /nfs/dbraw/zinc/11/32/93/1087113293.db2.gz RLAFOXJDXDVYNE-MRVPVSSYSA-N -1 1 350.350 4.023 20 0 FIADMM O=C([O-])CN(Cc1ccc(-c2cccc(Br)c2)o1)CC1CC1 ZINC000650796840 1087180376 /nfs/dbraw/zinc/18/03/76/1087180376.db2.gz AOEZPQKHLLQICR-UHFFFAOYSA-N -1 1 364.239 4.006 20 0 FIADMM Cc1ccccc1[C@@H](C)c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000685335802 1087535813 /nfs/dbraw/zinc/53/58/13/1087535813.db2.gz VHNMDDPTDCTOGP-CQSZACIVSA-N -1 1 358.401 4.151 20 0 FIADMM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000511279936 1087548573 /nfs/dbraw/zinc/54/85/73/1087548573.db2.gz LAMATNJEZULTHJ-UHFFFAOYSA-N -1 1 371.817 4.102 20 0 FIADMM O=C(NCCc1cccc(-c2ccccc2)c1)c1c(F)ccc([O-])c1F ZINC000685447881 1087572664 /nfs/dbraw/zinc/57/26/64/1087572664.db2.gz BICZVLJTCRSHSE-UHFFFAOYSA-N -1 1 353.368 4.310 20 0 FIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1nc(-c2cccs2)no1 ZINC000685575235 1087632959 /nfs/dbraw/zinc/63/29/59/1087632959.db2.gz SHWQRMHUAXAIMA-ZCFIWIBFSA-N -1 1 356.379 4.085 20 0 FIADMM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)CCC2 ZINC000179237976 1087639047 /nfs/dbraw/zinc/63/90/47/1087639047.db2.gz ADALWRDIYYYYJL-IBGZPJMESA-N -1 1 360.461 4.247 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1 ZINC000612054719 1087715393 /nfs/dbraw/zinc/71/53/93/1087715393.db2.gz DPTAQXHMWNYYJP-UHFFFAOYSA-N -1 1 350.852 4.264 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000102900105 1087902099 /nfs/dbraw/zinc/90/20/99/1087902099.db2.gz FTCAWKFIHMOULG-KRWDZBQOSA-N -1 1 370.522 4.097 20 0 FIADMM CCOc1cc(C(=O)NCc2ccc(SC)cc2)cc(Cl)c1[O-] ZINC000186689370 1087963106 /nfs/dbraw/zinc/96/31/06/1087963106.db2.gz DHPKLYZTDDUPAP-UHFFFAOYSA-N -1 1 351.855 4.096 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCCOc3ccccc32)cc(Cl)c1[O-] ZINC000186741984 1087974211 /nfs/dbraw/zinc/97/42/11/1087974211.db2.gz IAJIVVCDSGFESE-HNNXBMFYSA-N -1 1 361.825 4.088 20 0 FIADMM CCOc1cc(C(=O)N(C)Cc2ccc(OC)c(C)c2)cc(Cl)c1[O-] ZINC000186778678 1087988959 /nfs/dbraw/zinc/98/89/59/1087988959.db2.gz LVSHCQAXMSLMJX-UHFFFAOYSA-N -1 1 363.841 4.034 20 0 FIADMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccc(Cl)c1 ZINC000544098930 1088299430 /nfs/dbraw/zinc/29/94/30/1088299430.db2.gz NTCLCECSXQOHKV-UHFFFAOYSA-N -1 1 366.801 4.076 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1c1cccs1 ZINC000180332124 1088772770 /nfs/dbraw/zinc/77/27/70/1088772770.db2.gz LOQSFSXVWGLBME-GFCCVEGCSA-N -1 1 352.253 4.194 20 0 FIADMM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180494584 1088773273 /nfs/dbraw/zinc/77/32/73/1088773273.db2.gz UHTIXWWNSPIIOV-SJCJKPOMSA-N -1 1 365.351 4.013 20 0 FIADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1cc(-c2ccccc2)no1 ZINC000659793855 1088867937 /nfs/dbraw/zinc/86/79/37/1088867937.db2.gz WZFNCDSCDDVJEL-XLIONFOSSA-N -1 1 354.450 4.197 20 0 FIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000182020562 1088885727 /nfs/dbraw/zinc/88/57/27/1088885727.db2.gz DWHNSZGGKKWNPZ-UHFFFAOYSA-N -1 1 372.730 4.275 20 0 FIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1cccc(Cl)c1Cl ZINC000188131057 1088904097 /nfs/dbraw/zinc/90/40/97/1088904097.db2.gz MHUYQGFDQFEIPY-UHFFFAOYSA-N -1 1 370.261 4.097 20 0 FIADMM Cc1cc(C)c(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(Cl)c1 ZINC000188136492 1088904574 /nfs/dbraw/zinc/90/45/74/1088904574.db2.gz SGGXJAIRQXLOAH-UHFFFAOYSA-N -1 1 363.870 4.061 20 0 FIADMM Cc1ccc2c(CC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)coc2c1C ZINC000613666411 1089249312 /nfs/dbraw/zinc/24/93/12/1089249312.db2.gz XCTSWVMXKFDBAP-UHFFFAOYSA-N -1 1 361.401 4.327 20 0 FIADMM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cs2)o1 ZINC000613668396 1089267495 /nfs/dbraw/zinc/26/74/95/1089267495.db2.gz ORVCXRPLXZLUAX-UHFFFAOYSA-N -1 1 366.402 4.060 20 0 FIADMM Cc1nc(CN2CCC(CCC(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000514944270 1089629764 /nfs/dbraw/zinc/62/97/64/1089629764.db2.gz NPHBTLQNFIXILG-UHFFFAOYSA-N -1 1 362.857 4.380 20 0 FIADMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435445694 1089669594 /nfs/dbraw/zinc/66/95/94/1089669594.db2.gz GKUQDKDDOXDTPJ-NXEZZACHSA-N -1 1 372.314 4.085 20 0 FIADMM CCc1cc(=O)[n-]c(SCc2c(F)ccc(Br)c2F)n1 ZINC000435488807 1089702399 /nfs/dbraw/zinc/70/23/99/1089702399.db2.gz FZZZGHFFXLOTLO-UHFFFAOYSA-N -1 1 361.211 4.078 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H](CC(F)(F)F)C1 ZINC000549355531 1089904449 /nfs/dbraw/zinc/90/44/49/1089904449.db2.gz VYCYXONNCIRZDD-VIFPVBQESA-N -1 1 358.747 4.008 20 0 FIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1C ZINC000435720525 1089908099 /nfs/dbraw/zinc/90/80/99/1089908099.db2.gz CITIYIGKISHGBE-UHFFFAOYSA-N -1 1 372.446 4.076 20 0 FIADMM O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)c1cc2ccccc2s1 ZINC000024459788 1089943218 /nfs/dbraw/zinc/94/32/18/1089943218.db2.gz JKOAGVXLVKDKGZ-UHFFFAOYSA-N -1 1 365.241 4.283 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2[nH]1 ZINC000435886869 1089998332 /nfs/dbraw/zinc/99/83/32/1089998332.db2.gz CIVPBHIOVVXGGS-UHFFFAOYSA-N -1 1 374.224 4.118 20 0 FIADMM Cc1c(=O)[n-]c(SCc2ncc(C(C)(C)C)o2)nc1-c1ccccc1 ZINC000163894686 1090141650 /nfs/dbraw/zinc/14/16/50/1090141650.db2.gz OAHMZGAGBQSTQW-UHFFFAOYSA-N -1 1 355.463 4.323 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC2(CCCCC2)CC1 ZINC000228316987 1090332201 /nfs/dbraw/zinc/33/22/01/1090332201.db2.gz WBEPMZJCTJMNLD-UHFFFAOYSA-N -1 1 352.272 4.341 20 0 FIADMM COc1ccc(N[C@@H](CC(C)C)c2cccs2)cc1[N-]S(C)(=O)=O ZINC000182733750 1090370910 /nfs/dbraw/zinc/37/09/10/1090370910.db2.gz JMXZWQUPGOOCJS-HNNXBMFYSA-N -1 1 368.524 4.328 20 0 FIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000460875287 1090453046 /nfs/dbraw/zinc/45/30/46/1090453046.db2.gz RWIFCDKBCXCHLL-UHFFFAOYSA-N -1 1 354.353 4.053 20 0 FIADMM O=C(NCc1cccc2ccccc21)c1ccc(Br)c([O-])c1 ZINC000318666139 1090473900 /nfs/dbraw/zinc/47/39/00/1090473900.db2.gz ZVXQRNOFWJHQNK-UHFFFAOYSA-N -1 1 356.219 4.238 20 0 FIADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2ccc3n[nH]nc3c2)no1 ZINC000584814947 1090915373 /nfs/dbraw/zinc/91/53/73/1090915373.db2.gz FBVQCKDLHWTDSH-UHFFFAOYSA-N -1 1 371.356 4.173 20 0 FIADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)c(Cl)c2)o1 ZINC000417577890 1090930035 /nfs/dbraw/zinc/93/00/35/1090930035.db2.gz XJDJITODNQTLLK-ZDUSSCGKSA-N -1 1 372.646 4.310 20 0 FIADMM Cc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1F ZINC000417577104 1090930148 /nfs/dbraw/zinc/93/01/48/1090930148.db2.gz INCDDJUSXRWMGV-HNNXBMFYSA-N -1 1 355.331 4.459 20 0 FIADMM CC(C)=CCSC[C@H](NCc1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000417604500 1090936418 /nfs/dbraw/zinc/93/64/18/1090936418.db2.gz BSONOKDEAIJWIG-INIZCTEOSA-N -1 1 362.520 4.052 20 0 FIADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)o1)c1ccc(Br)cc1 ZINC000417641248 1090952770 /nfs/dbraw/zinc/95/27/70/1090952770.db2.gz PERLHXSXUQSIPV-YMTOWFKASA-N -1 1 372.646 4.247 20 0 FIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1csc(Cl)n1 ZINC000692740689 1091233488 /nfs/dbraw/zinc/23/34/88/1091233488.db2.gz PJMZQTKRGKFIJL-UHFFFAOYSA-N -1 1 353.575 4.090 20 0 FIADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(F)c(Cl)nc1Cl ZINC000728804524 1091631113 /nfs/dbraw/zinc/63/11/13/1091631113.db2.gz IXHABYOVOGYNPQ-UHFFFAOYSA-N -1 1 369.208 4.298 20 0 FIADMM COC(=O)c1c[n-]c(SCCOC(c2ccccc2)c2ccccc2)n1 ZINC000432653287 1092033787 /nfs/dbraw/zinc/03/37/87/1092033787.db2.gz AGUUHEJGDZLSSA-UHFFFAOYSA-N -1 1 368.458 4.095 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3)o2)[n-]c1=O ZINC000432706846 1092163677 /nfs/dbraw/zinc/16/36/77/1092163677.db2.gz JSVLWPLNPOSFBJ-QBFSEMIESA-N -1 1 350.374 4.179 20 0 FIADMM COCCS(=O)(=O)[N-]c1ccc(Cl)cc1-c1ccccc1Cl ZINC000432782141 1092350170 /nfs/dbraw/zinc/35/01/70/1092350170.db2.gz VQNVWBWTVOTUIZ-UHFFFAOYSA-N -1 1 360.262 4.049 20 0 FIADMM Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000521041418 1092451868 /nfs/dbraw/zinc/45/18/68/1092451868.db2.gz AJCRNUOBZNUSQW-JTQLQIEISA-N -1 1 356.369 4.181 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccccc1OC(F)F ZINC000442249069 1092523371 /nfs/dbraw/zinc/52/33/71/1092523371.db2.gz JJBXWSUYGVIAOP-UHFFFAOYSA-N -1 1 369.723 4.020 20 0 FIADMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000509536390 1092532762 /nfs/dbraw/zinc/53/27/62/1092532762.db2.gz AXEWZYQGGWYKTR-UHFFFAOYSA-N -1 1 360.262 4.420 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3nc(-c4ccco4)sc3C)[nH][n-]2)s1 ZINC000500858293 1092652690 /nfs/dbraw/zinc/65/26/90/1092652690.db2.gz MIXJKTACNSNCRN-UHFFFAOYSA-N -1 1 370.459 4.146 20 0 FIADMM COc1cc(C(=O)Nc2ncc(-c3ccccc3)s2)cc(Cl)c1[O-] ZINC000442728751 1092739124 /nfs/dbraw/zinc/73/91/24/1092739124.db2.gz KDSOZRFTDISHSY-UHFFFAOYSA-N -1 1 360.822 4.430 20 0 FIADMM CCCC(=O)Nc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442729381 1092739264 /nfs/dbraw/zinc/73/92/64/1092739264.db2.gz MZWOANLQOFPUAD-UHFFFAOYSA-N -1 1 362.813 4.045 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1 ZINC000110096873 1092753354 /nfs/dbraw/zinc/75/33/54/1092753354.db2.gz SCSURRGDOCQDMD-UHFFFAOYSA-N -1 1 360.460 4.173 20 0 FIADMM COc1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)cc(Cl)c1[O-] ZINC000442954904 1092872492 /nfs/dbraw/zinc/87/24/92/1092872492.db2.gz HVUMTLOLIGHMAN-UHFFFAOYSA-N -1 1 361.800 4.275 20 0 FIADMM COc1cc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)cc(Cl)c1[O-] ZINC000442947285 1092880401 /nfs/dbraw/zinc/88/04/01/1092880401.db2.gz ZVEWZMLKVNKTSM-UHFFFAOYSA-N -1 1 372.852 4.391 20 0 FIADMM COc1cc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc(Cl)c1[O-] ZINC000442969136 1092896386 /nfs/dbraw/zinc/89/63/86/1092896386.db2.gz UDNFVURBPOZZAY-LBPRGKRZSA-N -1 1 366.244 4.337 20 0 FIADMM CCOc1cc(Cl)ccc1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443048148 1092916865 /nfs/dbraw/zinc/91/68/65/1092916865.db2.gz JARPDVVKXFXQQB-UHFFFAOYSA-N -1 1 370.232 4.036 20 0 FIADMM COc1cc(C(=O)N(C)Cc2cccc(OC(C)C)c2)cc(Cl)c1[O-] ZINC000443066222 1092925580 /nfs/dbraw/zinc/92/55/80/1092925580.db2.gz RIKLXQRZOMJYSE-UHFFFAOYSA-N -1 1 363.841 4.114 20 0 FIADMM COc1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000443067739 1092926678 /nfs/dbraw/zinc/92/66/78/1092926678.db2.gz USKGSTFEJMCZEE-UHFFFAOYSA-N -1 1 359.853 4.248 20 0 FIADMM COc1cc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)cc(Cl)c1[O-] ZINC000443051161 1092928446 /nfs/dbraw/zinc/92/84/46/1092928446.db2.gz OKVZJUVHKOMCHA-UHFFFAOYSA-N -1 1 358.781 4.270 20 0 FIADMM COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1OC(C)C ZINC000443115148 1092950418 /nfs/dbraw/zinc/95/04/18/1092950418.db2.gz HLGSYERYDQCQJD-UHFFFAOYSA-N -1 1 365.813 4.102 20 0 FIADMM COc1cc(C(=O)Nc2nc(Cc3ccccc3)cs2)cc(Cl)c1[O-] ZINC000443125794 1092954986 /nfs/dbraw/zinc/95/49/86/1092954986.db2.gz GEECVVTUPZYJMG-UHFFFAOYSA-N -1 1 374.849 4.354 20 0 FIADMM COc1cc(C(=O)Nc2ccc(CC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000443321489 1093053649 /nfs/dbraw/zinc/05/36/49/1093053649.db2.gz NNHKEELHJHZLJA-UHFFFAOYSA-N -1 1 359.731 4.411 20 0 FIADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000443396892 1093102440 /nfs/dbraw/zinc/10/24/40/1093102440.db2.gz CHBASEBHVTXUCX-UHFFFAOYSA-N -1 1 374.487 4.318 20 0 FIADMM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113364953 1093318176 /nfs/dbraw/zinc/31/81/76/1093318176.db2.gz NUHRXSLRFJCLMI-QGZVFWFLSA-N -1 1 369.852 4.046 20 0 FIADMM CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512671 1093324386 /nfs/dbraw/zinc/32/43/86/1093324386.db2.gz HHTBVNDNOFBKOI-LJQANCHMSA-N -1 1 354.450 4.023 20 0 FIADMM CCN(CC)[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512670 1093324973 /nfs/dbraw/zinc/32/49/73/1093324973.db2.gz HHTBVNDNOFBKOI-IBGZPJMESA-N -1 1 354.450 4.023 20 0 FIADMM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000522321342 1093327386 /nfs/dbraw/zinc/32/73/86/1093327386.db2.gz NQQVGXZMAFRCDE-AWEZNQCLSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@H](Cc4ccccc4)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000474175884 1093549050 /nfs/dbraw/zinc/54/90/50/1093549050.db2.gz LPQCOAGMVCOTKO-IEBWSBKVSA-N -1 1 374.488 4.319 20 0 FIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000474318403 1093674552 /nfs/dbraw/zinc/67/45/52/1093674552.db2.gz ZBYKAMGKDXRXQS-INIZCTEOSA-N -1 1 367.493 4.331 20 0 FIADMM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(F)c2ncccc12 ZINC000024578605 1093732934 /nfs/dbraw/zinc/73/29/34/1093732934.db2.gz XLOYSEKZJIIIOL-UHFFFAOYSA-N -1 1 352.390 4.328 20 0 FIADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000474421855 1093753500 /nfs/dbraw/zinc/75/35/00/1093753500.db2.gz PSCQGBUXJYFMFZ-UHFFFAOYSA-N -1 1 363.414 4.062 20 0 FIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)c1 ZINC000433521851 1093868959 /nfs/dbraw/zinc/86/89/59/1093868959.db2.gz WUIHBVKQYNRPGH-UHFFFAOYSA-N -1 1 373.396 4.299 20 0 FIADMM Cc1ccc(-n2cnc3c2CCN(Cc2cccc([O-])c2Cl)C3)cc1 ZINC000513211273 1094009398 /nfs/dbraw/zinc/00/93/98/1094009398.db2.gz VQPMHWDXYHSTQE-UHFFFAOYSA-N -1 1 353.853 4.098 20 0 FIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000433615871 1094012626 /nfs/dbraw/zinc/01/26/26/1094012626.db2.gz FBZHOTVLKKBSFE-UHFFFAOYSA-N -1 1 369.442 4.242 20 0 FIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000840519756 1094537199 /nfs/dbraw/zinc/53/71/99/1094537199.db2.gz WXEKYFPQSHXGKS-QGZVFWFLSA-N -1 1 365.477 4.024 20 0 FIADMM CC1(C)CC[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000513720527 1094900082 /nfs/dbraw/zinc/90/00/82/1094900082.db2.gz LRMUFUJVUGOVFD-HNNXBMFYSA-N -1 1 372.490 4.252 20 0 FIADMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)cc1C(C)C ZINC000414461665 1094996023 /nfs/dbraw/zinc/99/60/23/1094996023.db2.gz SICLUMROVJNTDF-UHFFFAOYSA-N -1 1 362.495 4.248 20 0 FIADMM CC1(C)CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000513730872 1095145751 /nfs/dbraw/zinc/14/57/51/1095145751.db2.gz PCGHVXJVHRVLTB-HNNXBMFYSA-N -1 1 372.490 4.252 20 0 FIADMM CC(C)[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000522830622 1095749854 /nfs/dbraw/zinc/74/98/54/1095749854.db2.gz JPRBEOMPSTVSDT-CQSZACIVSA-N -1 1 356.369 4.201 20 0 FIADMM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000502710813 1095753066 /nfs/dbraw/zinc/75/30/66/1095753066.db2.gz ZCQGWCAHSZPGIF-VOAKCMCISA-N -1 1 353.447 4.019 20 0 FIADMM COc1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000428333236 1095847060 /nfs/dbraw/zinc/84/70/60/1095847060.db2.gz UKCLPBKFSAUITD-BBRMVZONSA-N -1 1 359.853 4.381 20 0 FIADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000502911424 1095940209 /nfs/dbraw/zinc/94/02/09/1095940209.db2.gz HKBWPBVVFXHWHU-HUUCEWRRSA-N -1 1 360.479 4.108 20 0 FIADMM CCCC[C@H](CC)C[N-]S(=O)(=O)c1sccc1Br ZINC000042351116 1095953748 /nfs/dbraw/zinc/95/37/48/1095953748.db2.gz PJOQHUHTKKLMHH-JTQLQIEISA-N -1 1 354.335 4.005 20 0 FIADMM COc1cc(C(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000505760356 1098757392 /nfs/dbraw/zinc/75/73/92/1098757392.db2.gz QFLZELQRQTVUFK-YPMLDQLKSA-N -1 1 366.244 4.373 20 0 FIADMM Cc1cc(-c2noc([C@H](C)Sc3nc(C4CC4)cc(=O)[n-]3)n2)ccc1F ZINC000436247950 1098854334 /nfs/dbraw/zinc/85/43/34/1098854334.db2.gz WNQCAXPGCNOUAZ-JTQLQIEISA-N -1 1 372.425 4.410 20 0 FIADMM CCCN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C)c1ccccc1OC ZINC000533251251 1098912596 /nfs/dbraw/zinc/91/25/96/1098912596.db2.gz XCIXWUOXXJPKJD-ZDUSSCGKSA-N -1 1 357.479 4.379 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000515838782 1098974094 /nfs/dbraw/zinc/97/40/94/1098974094.db2.gz QDIMTDFKCBDZHO-UHFFFAOYSA-N -1 1 356.447 4.440 20 0 FIADMM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1[O-] ZINC000436507205 1099069776 /nfs/dbraw/zinc/06/97/76/1099069776.db2.gz FIRFTIRJNYHWLE-UHFFFAOYSA-N -1 1 359.385 4.196 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCC[C@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000436522817 1099078517 /nfs/dbraw/zinc/07/85/17/1099078517.db2.gz XEWAJEQXMJIXIY-JQWIXIFHSA-N -1 1 352.818 4.167 20 0 FIADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000436545216 1099094232 /nfs/dbraw/zinc/09/42/32/1099094232.db2.gz LOEWIDFZRAOKFG-IBGZPJMESA-N -1 1 360.457 4.286 20 0 FIADMM Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436552706 1099097934 /nfs/dbraw/zinc/09/79/34/1099097934.db2.gz AUTMIFNUJDQOAA-UHFFFAOYSA-N -1 1 350.393 4.251 20 0 FIADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000436561458 1099115619 /nfs/dbraw/zinc/11/56/19/1099115619.db2.gz JAALZEURELJRJC-OAHLLOKOSA-N -1 1 364.214 4.271 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436596115 1099128776 /nfs/dbraw/zinc/12/87/76/1099128776.db2.gz KZZIKHUQPWZDCI-FQEVSTJZSA-N -1 1 374.440 4.097 20 0 FIADMM O=C(C[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436581449 1099130329 /nfs/dbraw/zinc/13/03/29/1099130329.db2.gz FFTOAPDDWFWHBX-GOSISDBHSA-N -1 1 359.425 4.423 20 0 FIADMM Cc1ccccc1[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)CO1 ZINC000436581849 1099130804 /nfs/dbraw/zinc/13/08/04/1099130804.db2.gz GFCDEVJODVCZDB-AOMKIAJQSA-N -1 1 361.441 4.456 20 0 FIADMM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc(F)ccc1[O-] ZINC000436584645 1099134034 /nfs/dbraw/zinc/13/40/34/1099134034.db2.gz JNTWNWXYOBTBCM-GOSISDBHSA-N -1 1 356.784 4.099 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000436586122 1099135161 /nfs/dbraw/zinc/13/51/61/1099135161.db2.gz UYVBLXZRDOCPPH-HSZRJFAPSA-N -1 1 359.425 4.207 20 0 FIADMM CCc1nc(-c2ccccc2NC(=O)c2ccc(C(C)C)cc2[O-])n[nH]1 ZINC000436609492 1099143493 /nfs/dbraw/zinc/14/34/93/1099143493.db2.gz RMWKQPXEDUBJDT-UHFFFAOYSA-N -1 1 350.422 4.115 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000436610273 1099144442 /nfs/dbraw/zinc/14/44/42/1099144442.db2.gz UCRZMHHUXLPHOJ-BHIFYINESA-N -1 1 373.452 4.190 20 0 FIADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436625460 1099153721 /nfs/dbraw/zinc/15/37/21/1099153721.db2.gz OUKAKSQMMNDODW-CYBMUJFWSA-N -1 1 360.251 4.093 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000436626443 1099154028 /nfs/dbraw/zinc/15/40/28/1099154028.db2.gz IWQZSVYRPVAMFF-SIJIIQCFSA-N -1 1 372.262 4.473 20 0 FIADMM CC(C)c1nc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1cccc(F)c1 ZINC000436621685 1099170088 /nfs/dbraw/zinc/17/00/88/1099170088.db2.gz BZSWGPXNYAZKGB-UHFFFAOYSA-N -1 1 374.803 4.141 20 0 FIADMM Cc1csc(Sc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)n1 ZINC000436676282 1099211364 /nfs/dbraw/zinc/21/13/64/1099211364.db2.gz YYMJCWFXCHGLSD-UHFFFAOYSA-N -1 1 370.455 4.130 20 0 FIADMM CCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000436689834 1099222679 /nfs/dbraw/zinc/22/26/79/1099222679.db2.gz RYCPTXACEPZJQC-MRXNPFEDSA-N -1 1 365.351 4.251 20 0 FIADMM [O-]c1ccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)c(F)c1 ZINC000436690852 1099225061 /nfs/dbraw/zinc/22/50/61/1099225061.db2.gz REFOQGBTACBYFD-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM COc1ccccc1CC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436725417 1099241924 /nfs/dbraw/zinc/24/19/24/1099241924.db2.gz QRWJPVODKABHAX-UHFFFAOYSA-N -1 1 359.853 4.149 20 0 FIADMM COCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)c(Cl)c1 ZINC000436713166 1099245748 /nfs/dbraw/zinc/24/57/48/1099245748.db2.gz QCDZXWHPRRLTHA-MRXNPFEDSA-N -1 1 372.223 4.346 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@](F)(c2ccccc2F)C1 ZINC000436713343 1099245805 /nfs/dbraw/zinc/24/58/05/1099245805.db2.gz JBZIJTGWUGDBRL-QGZVFWFLSA-N -1 1 371.305 4.261 20 0 FIADMM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436736336 1099258418 /nfs/dbraw/zinc/25/84/18/1099258418.db2.gz GKTUAQIPOROYRU-HNNXBMFYSA-N -1 1 363.841 4.286 20 0 FIADMM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000436759823 1099275144 /nfs/dbraw/zinc/27/51/44/1099275144.db2.gz HBEWFTLEOFVRJA-UHFFFAOYSA-N -1 1 370.193 4.095 20 0 FIADMM CC(C)(NC(=O)c1cc2ccccc2cc1[O-])c1cc(C(F)(F)F)on1 ZINC000436787358 1099321164 /nfs/dbraw/zinc/32/11/64/1099321164.db2.gz VPTAIAPUTXADAZ-UHFFFAOYSA-N -1 1 364.323 4.217 20 0 FIADMM Cc1ccc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cn1 ZINC000436807046 1099334328 /nfs/dbraw/zinc/33/43/28/1099334328.db2.gz HJCKUVYRFHTDRL-UHFFFAOYSA-N -1 1 364.367 4.134 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000436811683 1099337129 /nfs/dbraw/zinc/33/71/29/1099337129.db2.gz BSHZCKSQRFYWHD-AWEZNQCLSA-N -1 1 353.368 4.453 20 0 FIADMM CSc1ccccc1CN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436855046 1099354741 /nfs/dbraw/zinc/35/47/41/1099354741.db2.gz WBZTYMHSGHAYNQ-UHFFFAOYSA-N -1 1 366.280 4.149 20 0 FIADMM COc1cc(-c2noc([C@H](C)CC(C)C)n2)cc(Br)c1[O-] ZINC000436874105 1099385437 /nfs/dbraw/zinc/38/54/37/1099385437.db2.gz PHTHUIYCBTYAGT-SECBINFHSA-N -1 1 355.232 4.363 20 0 FIADMM COCCOc1cccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436875082 1099386576 /nfs/dbraw/zinc/38/65/76/1099386576.db2.gz WBOISEMVBSJQAT-YVMONPNESA-N -1 1 372.808 4.291 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3scnc3C)n2)cc(Cl)c1[O-] ZINC000436877347 1099393731 /nfs/dbraw/zinc/39/37/31/1099393731.db2.gz OFSIPUNAUWWMSC-SNAWJCMRSA-N -1 1 363.826 4.430 20 0 FIADMM CCOc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4F)no3)c21 ZINC000436879346 1099397186 /nfs/dbraw/zinc/39/71/86/1099397186.db2.gz MHMOQAPFRPTHEE-UHFFFAOYSA-N -1 1 353.353 4.052 20 0 FIADMM C[C@@H](CC(F)(F)F)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000571685933 1099402272 /nfs/dbraw/zinc/40/22/72/1099402272.db2.gz RMOONFRCDLVSDQ-YFKPBYRVSA-N -1 1 360.557 4.335 20 0 FIADMM CC[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1 ZINC000436918165 1099433634 /nfs/dbraw/zinc/43/36/34/1099433634.db2.gz GTYRFXIRBUTTFV-ZDUSSCGKSA-N -1 1 374.803 4.102 20 0 FIADMM CC[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(F)cc1 ZINC000436918165 1099433639 /nfs/dbraw/zinc/43/36/39/1099433639.db2.gz GTYRFXIRBUTTFV-ZDUSSCGKSA-N -1 1 374.803 4.102 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@H]2CCC[C@H]21 ZINC000629379026 1099448678 /nfs/dbraw/zinc/44/86/78/1099448678.db2.gz WJYHKLJVNVKRAK-ZNMIVQPWSA-N -1 1 372.690 4.178 20 0 FIADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436944081 1099454860 /nfs/dbraw/zinc/45/48/60/1099454860.db2.gz ONTFANUHAQQTFY-SNVBAGLBSA-N -1 1 364.228 4.028 20 0 FIADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000436958641 1099475555 /nfs/dbraw/zinc/47/55/55/1099475555.db2.gz CCZHZXJDEGZSIX-LBPRGKRZSA-N -1 1 365.351 4.203 20 0 FIADMM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436968756 1099490475 /nfs/dbraw/zinc/49/04/75/1099490475.db2.gz WYLQKRLGDLZGEE-SNVBAGLBSA-N -1 1 364.228 4.028 20 0 FIADMM Cc1ccc(-c2nc(NC(=O)C(=O)c3ccc([O-])cc3)sc2C)s1 ZINC000436983797 1099503858 /nfs/dbraw/zinc/50/38/58/1099503858.db2.gz XVWYFCSJZBCNAY-UHFFFAOYSA-N -1 1 358.444 4.015 20 0 FIADMM CCCOc1c(Cl)cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1OCC ZINC000263088992 1099762137 /nfs/dbraw/zinc/76/21/37/1099762137.db2.gz ADEIUTLODHYZQD-DZGCQCFKSA-N -1 1 369.889 4.213 20 0 FIADMM CCN(C(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1cc(C)cc(C)c1 ZINC000192464662 1099776852 /nfs/dbraw/zinc/77/68/52/1099776852.db2.gz PJHADCYOTULGGT-UHFFFAOYSA-N -1 1 372.519 4.339 20 0 FIADMM COc1cc(CN(C)Cc2cccc([O-])c2Cl)c(SC)cc1OC ZINC000508726477 1099956874 /nfs/dbraw/zinc/95/68/74/1099956874.db2.gz UWDQCNGGXQTSJW-UHFFFAOYSA-N -1 1 367.898 4.417 20 0 FIADMM O=C(CCCC1CCCC1)N1CCC[C@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000080208863 1099995273 /nfs/dbraw/zinc/99/52/73/1099995273.db2.gz MQBYMVKEPHLELG-HNNXBMFYSA-N -1 1 362.543 4.342 20 0 FIADMM COc1cccc(Cl)c1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000533840919 1099999295 /nfs/dbraw/zinc/99/92/95/1099999295.db2.gz OOALVHKCEOFORB-UHFFFAOYSA-N -1 1 368.245 4.128 20 0 FIADMM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000437618230 1100047995 /nfs/dbraw/zinc/04/79/95/1100047995.db2.gz DNRIEJQGHNHWGW-CQSZACIVSA-N -1 1 350.418 4.245 20 0 FIADMM CCOc1cc(-c2noc(-c3cccc(COC)c3)n2)cc(Cl)c1[O-] ZINC000445408275 1100144664 /nfs/dbraw/zinc/14/46/64/1100144664.db2.gz CEKSJUQRJCJLJE-UHFFFAOYSA-N -1 1 360.797 4.308 20 0 FIADMM CCOC(=O)c1cccc(N(CC)C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000536684908 1100177098 /nfs/dbraw/zinc/17/70/98/1100177098.db2.gz IEWOOGAACDASFS-UHFFFAOYSA-N -1 1 363.413 4.389 20 0 FIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)c1C ZINC000438251605 1100550510 /nfs/dbraw/zinc/55/05/10/1100550510.db2.gz VPNOJSAQINGLHC-UHFFFAOYSA-N -1 1 371.462 4.182 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(C)c1O ZINC000517723075 1100620803 /nfs/dbraw/zinc/62/08/03/1100620803.db2.gz MMKJSSHUZVWSCF-UHFFFAOYSA-N -1 1 365.454 4.381 20 0 FIADMM COCCOc1cccc(-c2nc3sc4c(c3c(=O)[n-]2)CC[C@H](C)C4)c1 ZINC000517993316 1100854460 /nfs/dbraw/zinc/85/44/60/1100854460.db2.gz DTWOXWNLPHELBY-LBPRGKRZSA-N -1 1 370.474 4.214 20 0 FIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000438784390 1100915899 /nfs/dbraw/zinc/91/58/99/1100915899.db2.gz HXAKELXCWSEUMK-UHFFFAOYSA-N -1 1 371.380 4.345 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000438799914 1100919186 /nfs/dbraw/zinc/91/91/86/1100919186.db2.gz JQEXBAXODLUBSO-UHFFFAOYSA-N -1 1 362.426 4.374 20 0 FIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438809463 1100932400 /nfs/dbraw/zinc/93/24/00/1100932400.db2.gz VPPUTGSVNSEYGH-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000509579109 1100971869 /nfs/dbraw/zinc/97/18/69/1100971869.db2.gz SYQQXWSPCRAYSM-UHFFFAOYSA-N -1 1 373.455 4.003 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1cc(Cl)cc(Cl)c1 ZINC000509595575 1100989700 /nfs/dbraw/zinc/98/97/00/1100989700.db2.gz HTGQRUHPVJMJOJ-UHFFFAOYSA-N -1 1 358.246 4.119 20 0 FIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000518491878 1101241880 /nfs/dbraw/zinc/24/18/80/1101241880.db2.gz IJXLQACWXZYUHH-SECBINFHSA-N -1 1 358.246 4.118 20 0 FIADMM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cncc([O-])c1 ZINC000518801088 1101596159 /nfs/dbraw/zinc/59/61/59/1101596159.db2.gz ADPALRMKJRZUME-UHFFFAOYSA-N -1 1 350.218 4.077 20 0 FIADMM COc1cc(C(=O)NCC2(Cc3ccccc3)CCC2)cc(Cl)c1[O-] ZINC000460131074 1101625055 /nfs/dbraw/zinc/62/50/55/1101625055.db2.gz NNCGJHFZSHFORP-UHFFFAOYSA-N -1 1 359.853 4.197 20 0 FIADMM CC[C@H](C)c1ccc(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000518841174 1101649168 /nfs/dbraw/zinc/64/91/68/1101649168.db2.gz KAYWYSIKQPUFKX-JTQLQIEISA-N -1 1 367.421 4.364 20 0 FIADMM COc1cccc(-c2nsc(NC([O-])=C(C)c3cccc(Cl)c3)n2)c1 ZINC000460149799 1101651428 /nfs/dbraw/zinc/65/14/28/1101651428.db2.gz KKMDINFTIYXDCQ-NSHDSACASA-N -1 1 373.865 4.031 20 0 FIADMM COc1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc(Cl)c1[O-] ZINC000460187157 1101711968 /nfs/dbraw/zinc/71/19/68/1101711968.db2.gz IAWSNHRYFNVAML-UHFFFAOYSA-N -1 1 363.816 4.246 20 0 FIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911633 1101743208 /nfs/dbraw/zinc/74/32/08/1101743208.db2.gz HZGVDWADSINRBC-UHFFFAOYSA-N -1 1 365.373 4.367 20 0 FIADMM O=C([N-]c1nncs1)c1sc2cc(Br)ccc2c1Cl ZINC000729830356 1101840585 /nfs/dbraw/zinc/84/05/85/1101840585.db2.gz ZNDAWFAZOWXRKZ-UHFFFAOYSA-N -1 1 374.672 4.421 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1Cl ZINC000024578597 1101861049 /nfs/dbraw/zinc/86/10/49/1101861049.db2.gz ZTAGKEHIPHOUMP-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)cc1 ZINC000519120515 1101944237 /nfs/dbraw/zinc/94/42/37/1101944237.db2.gz BARICKDMWRLBDA-UHFFFAOYSA-N -1 1 374.487 4.423 20 0 FIADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476254302 1102066233 /nfs/dbraw/zinc/06/62/33/1102066233.db2.gz DXWQPXTXSKDZOX-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc3c2CCCC3)CC1 ZINC000648490688 1102175383 /nfs/dbraw/zinc/17/53/83/1102175383.db2.gz XUNKEPHOHRPKTH-UHFFFAOYSA-N -1 1 363.457 4.006 20 0 FIADMM Cc1nsc(NC([O-])=C(Sc2ccc(C)cc2C)c2ccccc2)n1 ZINC000440293086 1102175905 /nfs/dbraw/zinc/17/59/05/1102175905.db2.gz DQAODXQCDMXSTF-KRWDZBQOSA-N -1 1 369.515 4.357 20 0 FIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000440297619 1102178594 /nfs/dbraw/zinc/17/85/94/1102178594.db2.gz RUILSUAZKUYFJQ-UHFFFAOYSA-N -1 1 361.360 4.430 20 0 FIADMM COC(=O)c1ccnc(-c2nc3scc(C4CCCCC4)c3c(=O)[n-]2)c1 ZINC000610927859 1102338936 /nfs/dbraw/zinc/33/89/36/1102338936.db2.gz WTQFKLGACNHCPX-UHFFFAOYSA-N -1 1 369.446 4.293 20 0 FIADMM O=S(=O)([N-]c1ccccc1COCc1ccccc1)c1ccccc1 ZINC000614825535 1102368135 /nfs/dbraw/zinc/36/81/35/1102368135.db2.gz CLYQALWXGZIQPY-UHFFFAOYSA-N -1 1 353.443 4.204 20 0 FIADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000473659719 1102430743 /nfs/dbraw/zinc/43/07/43/1102430743.db2.gz LSXDXSUCNALECB-NXEZZACHSA-N -1 1 373.325 4.084 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccsc2)c2ccccc2)c1 ZINC000122123803 1102527944 /nfs/dbraw/zinc/52/79/44/1102527944.db2.gz SVOMIBKDCVFNGP-UHFFFAOYSA-N -1 1 366.442 4.259 20 0 FIADMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cs1 ZINC000111363623 1102530525 /nfs/dbraw/zinc/53/05/25/1102530525.db2.gz JTYSJMIZIZARKP-LURJTMIESA-N -1 1 371.336 4.113 20 0 FIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(-c3ccccc3)cc2)c1 ZINC000122870923 1102623355 /nfs/dbraw/zinc/62/33/55/1102623355.db2.gz PTZTYQGJKLARBB-UHFFFAOYSA-N -1 1 360.413 4.294 20 0 FIADMM CC[C@H](C)n1ncc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1C1CC1 ZINC000536525046 1102654699 /nfs/dbraw/zinc/65/46/99/1102654699.db2.gz BYBBCZXFUJWODB-NSHDSACASA-N -1 1 371.485 4.085 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000111667075 1102698166 /nfs/dbraw/zinc/69/81/66/1102698166.db2.gz MHFIZKIAAHWYES-UHFFFAOYSA-N -1 1 371.799 4.111 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(c2ccsc2)CC1 ZINC000188716852 1102724480 /nfs/dbraw/zinc/72/44/80/1102724480.db2.gz MGMSSCJRJRJRLG-UHFFFAOYSA-N -1 1 366.280 4.236 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c1 ZINC000101850648 1102739849 /nfs/dbraw/zinc/73/98/49/1102739849.db2.gz ANLSBRQHTXYNEQ-UHFFFAOYSA-N -1 1 366.442 4.060 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1C ZINC000112039844 1102760355 /nfs/dbraw/zinc/76/03/55/1102760355.db2.gz ICJZHOOYPIDBLN-UHFFFAOYSA-N -1 1 374.506 4.397 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c(C)c1F ZINC000519570784 1102781610 /nfs/dbraw/zinc/78/16/10/1102781610.db2.gz FEEUZITVLZCXGS-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM O=C([O-])C[C@H](NCc1cc(Cl)ccc1Br)c1ccsc1 ZINC000426698972 1102928382 /nfs/dbraw/zinc/92/83/82/1102928382.db2.gz DGXUBOIBUFTTCK-ZDUSSCGKSA-N -1 1 374.687 4.470 20 0 FIADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)c(Br)c1 ZINC000426688450 1102933941 /nfs/dbraw/zinc/93/39/41/1102933941.db2.gz VPQVWFWIXUXHGH-CQSZACIVSA-N -1 1 354.269 4.125 20 0 FIADMM Cc1cccc([C@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1C ZINC000426724805 1102943342 /nfs/dbraw/zinc/94/33/42/1102943342.db2.gz VYHHMYPZPWQMOE-INIZCTEOSA-N -1 1 366.230 4.121 20 0 FIADMM COc1cc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)cc(Br)c1[O-] ZINC000664851666 1102965098 /nfs/dbraw/zinc/96/50/98/1102965098.db2.gz ZVUGMCUUSNIYLA-JMJZKYOTSA-N -1 1 365.227 4.117 20 0 FIADMM Cc1cc(C)cc([C@@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000426752409 1102969376 /nfs/dbraw/zinc/96/93/76/1102969376.db2.gz CSNBAKDFNJNHFF-MRXNPFEDSA-N -1 1 366.230 4.121 20 0 FIADMM Cc1cc(C)cc([C@H](NCc2ccc(-c3ccncc3)cc2F)C(=O)[O-])c1 ZINC000426759513 1102974380 /nfs/dbraw/zinc/97/43/80/1102974380.db2.gz WVGXYLBYAKVJHG-NRFANRHFSA-N -1 1 364.420 4.420 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2Cl)c1 ZINC000426767093 1102985550 /nfs/dbraw/zinc/98/55/50/1102985550.db2.gz KEFUFAQKHHBGRA-HNNXBMFYSA-N -1 1 354.233 4.308 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Oc3ccccc3)o2)c1 ZINC000426793141 1102993711 /nfs/dbraw/zinc/99/37/11/1102993711.db2.gz PFKHEWCHKFTPOE-LJQANCHMSA-N -1 1 367.401 4.386 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1Br)c1ccsc1 ZINC000426793731 1102994675 /nfs/dbraw/zinc/99/46/75/1102994675.db2.gz RIMKTDKBFDPUSA-LBPRGKRZSA-N -1 1 360.660 4.080 20 0 FIADMM COc1cc(-c2ccccc2)ccc1CN[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000426811773 1103006418 /nfs/dbraw/zinc/00/64/18/1103006418.db2.gz OGMFBRMHYCEZOZ-NRFANRHFSA-N -1 1 365.404 4.417 20 0 FIADMM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)c1cccc(F)c1 ZINC000426818079 1103012293 /nfs/dbraw/zinc/01/22/93/1103012293.db2.gz DEZGPOLETKEGRO-AWEZNQCLSA-N -1 1 361.722 4.413 20 0 FIADMM [O-]C(=Cc1cccc(Cl)c1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000551296069 1103068815 /nfs/dbraw/zinc/06/88/15/1103068815.db2.gz FXHQMAVCYXMUEF-UHFFFAOYSA-N -1 1 364.257 4.115 20 0 FIADMM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000006932006 1103222254 /nfs/dbraw/zinc/22/22/54/1103222254.db2.gz UNQUTNOMKCMEGH-SNVBAGLBSA-N -1 1 364.319 4.355 20 0 FIADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000083063685 1103359023 /nfs/dbraw/zinc/35/90/23/1103359023.db2.gz SQWLHPMQMCOYOB-STQMWFEESA-N -1 1 369.852 4.253 20 0 FIADMM Cc1cc(C)cc(C2=CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])CC2)c1 ZINC000537716956 1103888526 /nfs/dbraw/zinc/88/85/26/1103888526.db2.gz XPNSMLPNOWHUAL-UHFFFAOYSA-N -1 1 373.456 4.190 20 0 FIADMM Cc1cc(C)cc(C2=CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CC2)c1 ZINC000537716956 1103888533 /nfs/dbraw/zinc/88/85/33/1103888533.db2.gz XPNSMLPNOWHUAL-UHFFFAOYSA-N -1 1 373.456 4.190 20 0 FIADMM O=C(Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1)C1CC1 ZINC000445456403 1103902781 /nfs/dbraw/zinc/90/27/81/1103902781.db2.gz UNHMYLVOXPIFMJ-UHFFFAOYSA-N -1 1 355.781 4.111 20 0 FIADMM CC(=O)c1ccc(SCc2nc(-c3ccc([O-])cc3F)no2)cc1F ZINC000445460603 1103952618 /nfs/dbraw/zinc/95/26/18/1103952618.db2.gz BIDLZNHONSSFQM-UHFFFAOYSA-N -1 1 362.357 4.215 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2CCC(C)C)c(=O)[n-]1 ZINC000520080937 1104063686 /nfs/dbraw/zinc/06/36/86/1104063686.db2.gz ONYVXPYRAKXYNC-UHFFFAOYSA-N -1 1 373.522 4.372 20 0 FIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 ZINC000520101984 1104079250 /nfs/dbraw/zinc/07/92/50/1104079250.db2.gz LDPAPYIWBORCDP-UHFFFAOYSA-N -1 1 374.849 4.115 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000193274775 1105072225 /nfs/dbraw/zinc/07/22/25/1105072225.db2.gz XRFAMRGIOBVMEE-GHMZBOCLSA-N -1 1 365.779 4.295 20 0 FIADMM COc1cccc(CN(Cc2cccc([O-])c2Cl)C[C@@H]2CCCO2)c1 ZINC000507804695 1105140370 /nfs/dbraw/zinc/14/03/70/1105140370.db2.gz HLEPJSUWPIBIKK-SFHVURJKSA-N -1 1 361.869 4.235 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1F ZINC000427633594 1105175065 /nfs/dbraw/zinc/17/50/65/1105175065.db2.gz KYOCHXKQOVVLLG-UHFFFAOYSA-N -1 1 372.421 4.006 20 0 FIADMM Cc1cnc(C(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)c([O-])c1 ZINC001168009982 1105234831 /nfs/dbraw/zinc/23/48/31/1105234831.db2.gz QUXFCRYDTGPAON-UHFFFAOYSA-N -1 1 350.821 4.187 20 0 FIADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000427658583 1105240424 /nfs/dbraw/zinc/24/04/24/1105240424.db2.gz ZSOJZCMRHABTEQ-ZBEGNZNMSA-N -1 1 350.340 4.029 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cccc(-c2ccccc2)c1 ZINC000507890787 1105257485 /nfs/dbraw/zinc/25/74/85/1105257485.db2.gz HJTRJWLQHGJERA-UHFFFAOYSA-N -1 1 351.427 4.185 20 0 FIADMM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000427748260 1105266540 /nfs/dbraw/zinc/26/65/40/1105266540.db2.gz XTXMMISKGDLTCJ-AWEZNQCLSA-N -1 1 367.474 4.361 20 0 FIADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1 ZINC000427767528 1105271194 /nfs/dbraw/zinc/27/11/94/1105271194.db2.gz ZICUKTMMQQSLMX-UHFFFAOYSA-N -1 1 358.507 4.120 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000508100344 1105324169 /nfs/dbraw/zinc/32/41/69/1105324169.db2.gz KRTHFYPHXKMGLV-YHWKNFMLSA-N -1 1 372.262 4.473 20 0 FIADMM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]C1(C(F)F)CCCCC1 ZINC000508121992 1105331721 /nfs/dbraw/zinc/33/17/21/1105331721.db2.gz YQQBEMSTVGAPMP-UHFFFAOYSA-N -1 1 371.371 4.093 20 0 FIADMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000450957100 1106844486 /nfs/dbraw/zinc/84/44/86/1106844486.db2.gz JJVQQYZSQSSXPI-UHFFFAOYSA-N -1 1 360.479 4.205 20 0 FIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000450994903 1106862985 /nfs/dbraw/zinc/86/29/85/1106862985.db2.gz RTLWINQBNIDXAB-UHFFFAOYSA-N -1 1 374.506 4.207 20 0 FIADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@]3(CCc4ccccc4O3)C2)c1 ZINC000530171348 1106902031 /nfs/dbraw/zinc/90/20/31/1106902031.db2.gz BHECHRPARKZLFM-NRFANRHFSA-N -1 1 371.864 4.398 20 0 FIADMM CSc1nc(C)c(CCC(=O)N[C@@H](CC(C)C)c2ccccc2)c(=O)[n-]1 ZINC000029107183 1106917174 /nfs/dbraw/zinc/91/71/74/1106917174.db2.gz RHZYANITLXVBMM-KRWDZBQOSA-N -1 1 373.522 4.049 20 0 FIADMM Cc1nc(-c2ccc(NCc3ccccc3OC(F)F)nc2)[n-]c(=O)c1C ZINC000301184269 1106956691 /nfs/dbraw/zinc/95/66/91/1106956691.db2.gz QUEIIEVDHZBCOI-UHFFFAOYSA-N -1 1 372.375 4.075 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](c4ccccc4)[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301436075 1107028859 /nfs/dbraw/zinc/02/88/59/1107028859.db2.gz HKJPGJAPVOYMTD-MGPUTAFESA-N -1 1 374.488 4.491 20 0 FIADMM CC(C)OCCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451386775 1107061681 /nfs/dbraw/zinc/06/16/81/1107061681.db2.gz AULQIIPLBNCTLU-UHFFFAOYSA-N -1 1 361.916 4.038 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CC2CCCCC2)c1 ZINC000029366774 1107063994 /nfs/dbraw/zinc/06/39/94/1107063994.db2.gz PVAYZLVWRAWMIF-UHFFFAOYSA-N -1 1 372.538 4.345 20 0 FIADMM CCO[C@H]1C[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1(CC)CC ZINC000301608317 1107087146 /nfs/dbraw/zinc/08/71/46/1107087146.db2.gz ZYBKAUGDAZOKEC-SJORKVTESA-N -1 1 370.497 4.257 20 0 FIADMM CCC(CC)[C@@H]1C[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000302051301 1107275849 /nfs/dbraw/zinc/27/58/49/1107275849.db2.gz OWANVCDJIIOWAV-ROUUACIJSA-N -1 1 370.497 4.257 20 0 FIADMM CCCn1cc([N-]c2nn3cc(-c4ccc(Cl)cc4)nc3s2)cn1 ZINC000302373695 1107359133 /nfs/dbraw/zinc/35/91/33/1107359133.db2.gz AIUVFRQCIVYGDE-UHFFFAOYSA-N -1 1 358.858 4.461 20 0 FIADMM Cc1cccc(C)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444377470 1107509016 /nfs/dbraw/zinc/50/90/16/1107509016.db2.gz WREYNLDXCISEJT-UHFFFAOYSA-N -1 1 366.461 4.324 20 0 FIADMM Cc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1F ZINC000444378341 1107511721 /nfs/dbraw/zinc/51/17/21/1107511721.db2.gz HPYGLDUYWKLRDS-UHFFFAOYSA-N -1 1 370.424 4.155 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1F ZINC000614785070 1107766332 /nfs/dbraw/zinc/76/63/32/1107766332.db2.gz BLOSMKFKENHRTG-UHFFFAOYSA-N -1 1 372.421 4.467 20 0 FIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2)co1 ZINC000614782631 1107774851 /nfs/dbraw/zinc/77/48/51/1107774851.db2.gz ZBQUHCLERCDBMG-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=S(=O)([N-]c1cccnc1Cl)c1cc(Cl)c(Cl)cc1Cl ZINC000039968003 1107841453 /nfs/dbraw/zinc/84/14/53/1107841453.db2.gz XFNXCOOFHRXUHO-UHFFFAOYSA-N -1 1 372.060 4.496 20 0 FIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3F)c2n1 ZINC000531486338 1107934742 /nfs/dbraw/zinc/93/47/42/1107934742.db2.gz SQSICUZKQGGLFJ-UHFFFAOYSA-N -1 1 374.437 4.270 20 0 FIADMM CCCn1ncc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1C1CC1 ZINC000452951076 1108041444 /nfs/dbraw/zinc/04/14/44/1108041444.db2.gz WTDJMEMJEZUXSY-UHFFFAOYSA-N -1 1 363.845 4.181 20 0 FIADMM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531756448 1108122496 /nfs/dbraw/zinc/12/24/96/1108122496.db2.gz MONROPHHMJSUDC-UHFFFAOYSA-N -1 1 364.804 4.422 20 0 FIADMM O=C(Nc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1)c1cccs1 ZINC000531755749 1108122673 /nfs/dbraw/zinc/12/26/73/1108122673.db2.gz HTMPNIQPEVPFNK-UHFFFAOYSA-N -1 1 356.378 4.097 20 0 FIADMM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000445275090 1108593173 /nfs/dbraw/zinc/59/31/73/1108593173.db2.gz WKLVRSDCJICDMB-GFCCVEGCSA-N -1 1 369.396 4.276 20 0 FIADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)[nH]n1 ZINC000532100829 1108656902 /nfs/dbraw/zinc/65/69/02/1108656902.db2.gz NSZFUSVPVSRLGW-UHFFFAOYSA-N -1 1 355.419 4.233 20 0 FIADMM CC[C@@]1(C)C[C@@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445392179 1108707921 /nfs/dbraw/zinc/70/79/21/1108707921.db2.gz LJSTVLVDYWSJKS-PSLIRLAXSA-N -1 1 353.216 4.117 20 0 FIADMM CCOc1cc(-c2noc([C@H]3CCO[C@H](CC)C3)n2)cc(Cl)c1[O-] ZINC000445409251 1108719743 /nfs/dbraw/zinc/71/97/43/1108719743.db2.gz BMRBJBWNTXBCHH-CMPLNLGQSA-N -1 1 352.818 4.167 20 0 FIADMM CCOc1cc(-c2noc(Cc3cccc(F)c3F)n2)cc(Cl)c1[O-] ZINC000445411112 1108721829 /nfs/dbraw/zinc/72/18/29/1108721829.db2.gz ICIUZANPRZNYAB-UHFFFAOYSA-N -1 1 366.751 4.363 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3C[C@@H](C)O[C@@H](C)C3)n2)cc(Cl)c1[O-] ZINC000445413300 1108723914 /nfs/dbraw/zinc/72/39/14/1108723914.db2.gz SWCQUOSRPCUGLA-PEGIJTEDSA-N -1 1 352.818 4.165 20 0 FIADMM CCOc1cc(-c2noc(-c3cnc4onc(C)c4c3)n2)cc(Cl)c1[O-] ZINC000445399607 1108727382 /nfs/dbraw/zinc/72/73/82/1108727382.db2.gz CZESDADYBYEKNC-UHFFFAOYSA-N -1 1 372.768 4.006 20 0 FIADMM CCOc1cc(-c2noc(Cc3nc(C)sc3C)n2)cc(Cl)c1[O-] ZINC000445430262 1108741960 /nfs/dbraw/zinc/74/19/60/1108741960.db2.gz GILJXCCEIPKXJE-UHFFFAOYSA-N -1 1 365.842 4.158 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccc(C(C)=O)cc3)n2)cc(Cl)c1[O-] ZINC000445430906 1108742176 /nfs/dbraw/zinc/74/21/76/1108742176.db2.gz LKHKLXYEKZCBKH-UHFFFAOYSA-N -1 1 372.808 4.288 20 0 FIADMM CCOc1cc(-c2noc(-c3sccc3COC)n2)cc(Cl)c1[O-] ZINC000445413888 1108744291 /nfs/dbraw/zinc/74/42/91/1108744291.db2.gz VDWZVFMIHITDEL-UHFFFAOYSA-N -1 1 366.826 4.369 20 0 FIADMM CCOc1cc(-c2noc(COc3cccc(F)c3)n2)cc(Cl)c1[O-] ZINC000445417641 1108745682 /nfs/dbraw/zinc/74/56/82/1108745682.db2.gz LBENMJZKJCWVNG-UHFFFAOYSA-N -1 1 364.760 4.212 20 0 FIADMM O=C1CCSc2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2N1 ZINC000445449822 1108751908 /nfs/dbraw/zinc/75/19/08/1108751908.db2.gz PSTICPMWUQKBPW-UHFFFAOYSA-N -1 1 373.821 4.197 20 0 FIADMM Cc1oc(-c2ccco2)nc1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450704 1108752417 /nfs/dbraw/zinc/75/24/17/1108752417.db2.gz VJBRZGCVYNAXHS-UHFFFAOYSA-N -1 1 357.753 4.243 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccccc3OC(F)F)n2)c(Cl)c1 ZINC000445449925 1108753371 /nfs/dbraw/zinc/75/33/71/1108753371.db2.gz WRPXTWYQFIXISI-UHFFFAOYSA-N -1 1 352.724 4.288 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3coc(-c4ccccc4)n3)n2)c(Cl)c1 ZINC000445445231 1108770554 /nfs/dbraw/zinc/77/05/54/1108770554.db2.gz LMDIYDIEIRRKEU-UHFFFAOYSA-N -1 1 353.765 4.341 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)c(F)c1 ZINC000445466020 1108777180 /nfs/dbraw/zinc/77/71/80/1108777180.db2.gz VUQFKOGBWKDKGV-UHFFFAOYSA-N -1 1 354.259 4.071 20 0 FIADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1-c1cccc(Cl)c1 ZINC000445469805 1108779469 /nfs/dbraw/zinc/77/94/69/1108779469.db2.gz CNKXATLIBOJPBV-UHFFFAOYSA-N -1 1 370.771 4.396 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cccc(OCc4cscn4)c3)n2)cc1F ZINC000445469733 1108780168 /nfs/dbraw/zinc/78/01/68/1108780168.db2.gz CFRQVXKAHJGALR-UHFFFAOYSA-N -1 1 369.377 4.284 20 0 FIADMM [O-]c1ccc(-c2noc(Cc3cc(F)ccc3Br)n2)cc1F ZINC000445469163 1108781213 /nfs/dbraw/zinc/78/12/13/1108781213.db2.gz AQGWAILXPRXMMC-UHFFFAOYSA-N -1 1 367.149 4.074 20 0 FIADMM [O-]c1ccc(-c2noc(/C=C\c3ccc(Br)o3)n2)c(F)c1 ZINC000445455465 1108789940 /nfs/dbraw/zinc/78/99/40/1108789940.db2.gz PSFJBHXUGLUOBY-UTCJRWHESA-N -1 1 351.131 4.107 20 0 FIADMM CC(C)(C)CNC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457920 1108792127 /nfs/dbraw/zinc/79/21/27/1108792127.db2.gz VCNCACWEPXAFFG-UHFFFAOYSA-N -1 1 369.396 4.024 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cnc(Cc4ccccc4)s3)n2)c(F)c1 ZINC000445458365 1108792699 /nfs/dbraw/zinc/79/26/99/1108792699.db2.gz SGYPXUQAEMAEEC-UHFFFAOYSA-N -1 1 353.378 4.296 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@H]2CC(C)(C)C)c1 ZINC000143985712 1108797779 /nfs/dbraw/zinc/79/77/79/1108797779.db2.gz ZDSVFJUOLKCBQI-INIZCTEOSA-N -1 1 372.538 4.343 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccccc4Cl)[nH]n3)n2)cc1F ZINC000445486803 1108805890 /nfs/dbraw/zinc/80/58/90/1108805890.db2.gz PJLVMKJSLSQDRO-UHFFFAOYSA-N -1 1 356.744 4.292 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C ZINC000524319531 1108965117 /nfs/dbraw/zinc/96/51/17/1108965117.db2.gz GWXHSKANRLJYHK-UHFFFAOYSA-N -1 1 359.369 4.045 20 0 FIADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000445728081 1108967151 /nfs/dbraw/zinc/96/71/51/1108967151.db2.gz XZXUVPQXEBJSLN-SNVBAGLBSA-N -1 1 364.216 4.249 20 0 FIADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000524347086 1108972292 /nfs/dbraw/zinc/97/22/92/1108972292.db2.gz MGTRJACTAFSRQE-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1OC(C)C ZINC000525018670 1109233172 /nfs/dbraw/zinc/23/31/72/1109233172.db2.gz HGBADGHYFPPZRP-UHFFFAOYSA-N -1 1 359.369 4.000 20 0 FIADMM O=S(=O)([N-]c1ccccc1)c1ccc(OCC(F)F)c2ccccc21 ZINC000525162775 1109289497 /nfs/dbraw/zinc/28/94/97/1109289497.db2.gz IRXGQCNJKULKIT-UHFFFAOYSA-N -1 1 363.385 4.285 20 0 FIADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2F)nc1 ZINC000447271161 1109492825 /nfs/dbraw/zinc/49/28/25/1109492825.db2.gz MIMHQKFCTYDZGS-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM C[C@]1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC=CCC1 ZINC000448695751 1109865533 /nfs/dbraw/zinc/86/55/33/1109865533.db2.gz AKAWICKVJPJXFF-FQEVSTJZSA-N -1 1 370.474 4.172 20 0 FIADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529540306 1110284530 /nfs/dbraw/zinc/28/45/30/1110284530.db2.gz XWRHPWIQZCSGTF-SNVBAGLBSA-N -1 1 357.841 4.291 20 0 FIADMM CN(C)C(=O)C1CCC(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000529538523 1110286730 /nfs/dbraw/zinc/28/67/30/1110286730.db2.gz CNNGVBQYBIDWCI-UHFFFAOYSA-N -1 1 374.868 4.032 20 0 FIADMM O=c1nc(C[N@@H+]2CCC3(C2)CCCCC3)[nH]c2scc(-c3ccco3)c21 ZINC000129978180 1110341654 /nfs/dbraw/zinc/34/16/54/1110341654.db2.gz YDDFMBRGNKZGEL-UHFFFAOYSA-N -1 1 369.490 4.401 20 0 FIADMM COc1cc(CSc2nc([O-])cc(=O)n2C2CCCC2)ccc1Cl ZINC000450795684 1110342649 /nfs/dbraw/zinc/34/26/49/1110342649.db2.gz URYDRCZKJVOKPH-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000461207768 1111109647 /nfs/dbraw/zinc/10/96/47/1111109647.db2.gz DTEJPCBOLGBEOA-UHFFFAOYSA-N -1 1 365.669 4.292 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000538460000 1111150403 /nfs/dbraw/zinc/15/04/03/1111150403.db2.gz QHFUHPTZOSHGFK-GDBMZVCRSA-N -1 1 372.490 4.171 20 0 FIADMM O=C(Cc1ccc(F)cc1)Nc1c([O-])cc(Br)cc1Cl ZINC000552198600 1111611519 /nfs/dbraw/zinc/61/15/19/1111611519.db2.gz RFCJGMJDXRIALP-UHFFFAOYSA-N -1 1 358.594 4.128 20 0 FIADMM COc1cc(C(=O)Nc2nc3cc(F)c(C)cc3s2)cc(Cl)c1[O-] ZINC000478066702 1111675865 /nfs/dbraw/zinc/67/58/65/1111675865.db2.gz KAPMDQGAWHIZKV-UHFFFAOYSA-N -1 1 366.801 4.364 20 0 FIADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc(Br)c([O-])c1 ZINC000553000216 1111878758 /nfs/dbraw/zinc/87/87/58/1111878758.db2.gz VTEVCNSHAQKBSK-JTQLQIEISA-N -1 1 362.214 4.100 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c(C)c1 ZINC000479304749 1111985043 /nfs/dbraw/zinc/98/50/43/1111985043.db2.gz FKZCEPXUFATVIC-UHFFFAOYSA-N -1 1 368.458 4.257 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cccc(OC3CC3)c2F)CC1 ZINC000667493387 1112032083 /nfs/dbraw/zinc/03/20/83/1112032083.db2.gz QCDILMOIPKXCBZ-UHFFFAOYSA-N -1 1 369.436 4.167 20 0 FIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000064467668 1112347397 /nfs/dbraw/zinc/34/73/97/1112347397.db2.gz VBAMVQHMLDTKPH-UHFFFAOYSA-N -1 1 373.261 4.143 20 0 FIADMM CCCCOC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000554877536 1112542208 /nfs/dbraw/zinc/54/22/08/1112542208.db2.gz KTDMNEFUFDULNQ-UHFFFAOYSA-N -1 1 362.857 4.015 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000554880345 1112550639 /nfs/dbraw/zinc/55/06/39/1112550639.db2.gz GLBLPLBCHBGYOK-LLVKDONJSA-N -1 1 367.779 4.007 20 0 FIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1cccc2ccccc21 ZINC000554933389 1112569978 /nfs/dbraw/zinc/56/99/78/1112569978.db2.gz YQRQOAWGEZHEQT-UHFFFAOYSA-N -1 1 361.373 4.004 20 0 FIADMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000156537390 1112594079 /nfs/dbraw/zinc/59/40/79/1112594079.db2.gz ZIFWOAVEGMNYRM-UHFFFAOYSA-N -1 1 356.328 4.034 20 0 FIADMM Cc1nnc(Sc2ccc(NC(=O)c3ccccc3[O-])c(C)c2)s1 ZINC000156696239 1112680822 /nfs/dbraw/zinc/68/08/22/1112680822.db2.gz PMFTYGQQFIRAGK-UHFFFAOYSA-N -1 1 357.460 4.264 20 0 FIADMM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1cc(C2CC2)ccn1 ZINC000555144119 1112693008 /nfs/dbraw/zinc/69/30/08/1112693008.db2.gz BSPXYLHXQZHOOC-UHFFFAOYSA-N -1 1 357.262 4.208 20 0 FIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(Br)ccc1[O-] ZINC000157292425 1112952775 /nfs/dbraw/zinc/95/27/75/1112952775.db2.gz LKNHWUITXJEFIP-HNNXBMFYSA-N -1 1 363.255 4.163 20 0 FIADMM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000899767866 1112986353 /nfs/dbraw/zinc/98/63/53/1112986353.db2.gz UAZBOHXUMLWJHM-WBVHZDCISA-N -1 1 360.498 4.122 20 0 FIADMM COCc1ccc([C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000162028765 1113090904 /nfs/dbraw/zinc/09/09/04/1113090904.db2.gz UJWPTHHKWXDSOM-GOSISDBHSA-N -1 1 351.402 4.262 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1F ZINC000481958178 1113140944 /nfs/dbraw/zinc/14/09/44/1113140944.db2.gz RQIXXMQJSIICIW-UHFFFAOYSA-N -1 1 353.390 4.005 20 0 FIADMM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc2ccccc2c1 ZINC000481958096 1113141046 /nfs/dbraw/zinc/14/10/46/1113141046.db2.gz OMRYBBMSWFASGP-UHFFFAOYSA-N -1 1 363.385 4.285 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2cccc(F)c2F)c1 ZINC000482643690 1113318597 /nfs/dbraw/zinc/31/85/97/1113318597.db2.gz WDWHVZDELYRJBP-UHFFFAOYSA-N -1 1 370.193 4.313 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000482668826 1113327056 /nfs/dbraw/zinc/32/70/56/1113327056.db2.gz CRSSMWRCEZEZQH-UHFFFAOYSA-N -1 1 372.165 4.317 20 0 FIADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cn(C)c2ccccc12 ZINC000482944088 1113404461 /nfs/dbraw/zinc/40/44/61/1113404461.db2.gz GUINTTFRWMJJJL-CYBMUJFWSA-N -1 1 360.417 4.016 20 0 FIADMM CCOc1cc2c(cc1NC(=O)Nc1ccc([O-])c(Cl)c1)O[C@H](C)C2 ZINC000486168899 1113519663 /nfs/dbraw/zinc/51/96/63/1113519663.db2.gz SJUPDHGJUBLERB-SNVBAGLBSA-N -1 1 362.813 4.412 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2cccnc12 ZINC000486596540 1113600570 /nfs/dbraw/zinc/60/05/70/1113600570.db2.gz GFVWAKZGHNRUEI-UHFFFAOYSA-N -1 1 364.426 4.197 20 0 FIADMM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908135083 1113613083 /nfs/dbraw/zinc/61/30/83/1113613083.db2.gz IYYKGBSEZBJAOS-UHFFFAOYSA-N -1 1 366.465 4.001 20 0 FIADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486840599 1113661018 /nfs/dbraw/zinc/66/10/18/1113661018.db2.gz BYEGZSXQZRXECO-MNOVXSKESA-N -1 1 363.255 4.106 20 0 FIADMM CCOC(=O)CCc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000486915810 1113674955 /nfs/dbraw/zinc/67/49/55/1113674955.db2.gz RNVFARYYZCQPSU-UHFFFAOYSA-N -1 1 362.813 4.185 20 0 FIADMM O=C(Nc1cccc([O-])c1Br)C1CCC(C(F)(F)F)CC1 ZINC000908708524 1113687430 /nfs/dbraw/zinc/68/74/30/1113687430.db2.gz WWWRIMFFHPPWTL-UHFFFAOYSA-N -1 1 366.177 4.462 20 0 FIADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1cccc([O-])c1Br ZINC000908711299 1113687555 /nfs/dbraw/zinc/68/75/55/1113687555.db2.gz UKROJESNCJJWKV-ZETCQYMHSA-N -1 1 353.043 4.067 20 0 FIADMM Cc1c(=O)[n-]c(SCCN2CCc3ccccc32)nc1-c1ccccc1 ZINC000488271601 1113895527 /nfs/dbraw/zinc/89/55/27/1113895527.db2.gz ZLOGWKOPDSISDY-UHFFFAOYSA-N -1 1 363.486 4.312 20 0 FIADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1onc2c1CCCC2 ZINC000668956334 1114092658 /nfs/dbraw/zinc/09/26/58/1114092658.db2.gz VUOOBGXRWDJTOK-UHFFFAOYSA-N -1 1 356.369 4.302 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCc2c(Cl)cccc2C1 ZINC000489523395 1114124415 /nfs/dbraw/zinc/12/44/15/1114124415.db2.gz ZQAXLAOWTDGXGX-UHFFFAOYSA-N -1 1 366.642 4.007 20 0 FIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000055600275 1114497848 /nfs/dbraw/zinc/49/78/48/1114497848.db2.gz CCHPZYZUULFREC-UHFFFAOYSA-N -1 1 368.842 4.018 20 0 FIADMM CSc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000571975822 1114563222 /nfs/dbraw/zinc/56/32/22/1114563222.db2.gz KBKAOHRTXQVPTK-HNNXBMFYSA-N -1 1 366.280 4.087 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1 ZINC000588631374 1114583296 /nfs/dbraw/zinc/58/32/96/1114583296.db2.gz CEVBCYOMMVTFFP-UHFFFAOYSA-N -1 1 355.406 4.002 20 0 FIADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000588633868 1114589270 /nfs/dbraw/zinc/58/92/70/1114589270.db2.gz MJHRBJIESREBOF-UHFFFAOYSA-N -1 1 358.463 4.394 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1 ZINC000588833715 1114655455 /nfs/dbraw/zinc/65/54/55/1114655455.db2.gz BJOOAVPUSDLHJN-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2NC(C)=O)cc1 ZINC000589938896 1114870360 /nfs/dbraw/zinc/87/03/60/1114870360.db2.gz MZRPJRLIOYABAE-CQSZACIVSA-N -1 1 360.479 4.268 20 0 FIADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000573018371 1115000668 /nfs/dbraw/zinc/00/06/68/1115000668.db2.gz LZPKFCIDPACGJY-SECBINFHSA-N -1 1 359.294 4.050 20 0 FIADMM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1F ZINC001212166160 1115007005 /nfs/dbraw/zinc/00/70/05/1115007005.db2.gz PPRKLUVGVNZAIY-GXTWGEPZSA-N -1 1 371.836 4.233 20 0 FIADMM C[C@@H](CN(Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1)C(=O)[O-] ZINC000573098706 1115048692 /nfs/dbraw/zinc/04/86/92/1115048692.db2.gz WGCAKNMVIQXKSQ-NSHDSACASA-N -1 1 350.871 4.149 20 0 FIADMM CCOc1cc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)cc(Cl)c1[O-] ZINC000573496487 1115132225 /nfs/dbraw/zinc/13/22/25/1115132225.db2.gz NUPXIBSSOPGEHX-HNNXBMFYSA-N -1 1 359.853 4.382 20 0 FIADMM CN(Cc1ccc(F)c(F)c1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058205488 1115139163 /nfs/dbraw/zinc/13/91/63/1115139163.db2.gz HSSFJJBOWFLXEQ-UHFFFAOYSA-N -1 1 366.481 4.431 20 0 FIADMM CCOC(=O)[C@@H](C)Cc1ccc(-c2nc3scc(C)c3c(=O)[n-]2)cc1 ZINC000594661361 1115476101 /nfs/dbraw/zinc/47/61/01/1115476101.db2.gz SQWSAGQZZPFDNV-NSHDSACASA-N -1 1 356.447 4.114 20 0 FIADMM CCOc1ccc(C(C)=O)cc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000575030011 1115530838 /nfs/dbraw/zinc/53/08/38/1115530838.db2.gz RLXHZIJFYFFSHP-UHFFFAOYSA-N -1 1 354.378 4.013 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCSC2(CCC2)CC1 ZINC000575104559 1115545883 /nfs/dbraw/zinc/54/58/83/1115545883.db2.gz UUTRXAKSYVLTBH-UHFFFAOYSA-N -1 1 362.882 4.096 20 0 FIADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000761221596 1115666728 /nfs/dbraw/zinc/66/67/28/1115666728.db2.gz QOJPZWNDOSJXDQ-KRWDZBQOSA-N -1 1 359.425 4.269 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(C(C)(C)C)CC2)c1 ZINC000172299176 1115927164 /nfs/dbraw/zinc/92/71/64/1115927164.db2.gz DNONPWIITQIOJT-UHFFFAOYSA-N -1 1 372.538 4.201 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2[C@H](C)CCC[C@H]2C)cc1 ZINC000172317382 1115928228 /nfs/dbraw/zinc/92/82/28/1115928228.db2.gz CJMPWPKKPAXIHW-HUUCEWRRSA-N -1 1 372.538 4.247 20 0 FIADMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1coc(-c2ccccc2)n1 ZINC000606532140 1115953504 /nfs/dbraw/zinc/95/35/04/1115953504.db2.gz IPDGTGFSIBPKDT-UHFFFAOYSA-N -1 1 365.780 4.032 20 0 FIADMM Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cc1 ZINC000172711003 1115978746 /nfs/dbraw/zinc/97/87/46/1115978746.db2.gz UWOQMBNLOTWMMV-UHFFFAOYSA-N -1 1 370.449 4.320 20 0 FIADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000607610720 1116048845 /nfs/dbraw/zinc/04/88/45/1116048845.db2.gz WKNLLNVLHXBMBH-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM O=C(OCc1csc(-c2cccs2)n1)c1c([O-])cc(F)cc1F ZINC000063543432 1116078646 /nfs/dbraw/zinc/07/86/46/1116078646.db2.gz VIIUWOPMEAGWFE-UHFFFAOYSA-N -1 1 353.371 4.212 20 0 FIADMM CCC[C@@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000173659705 1116081640 /nfs/dbraw/zinc/08/16/40/1116081640.db2.gz LZYLLCIWGUNURO-FQEVSTJZSA-N -1 1 372.538 4.345 20 0 FIADMM CSCCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000609015666 1116140556 /nfs/dbraw/zinc/14/05/56/1116140556.db2.gz FESQIRUQEZOZIZ-UHFFFAOYSA-N -1 1 355.912 4.355 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1-c1ncco1 ZINC000534400437 1116195878 /nfs/dbraw/zinc/19/58/78/1116195878.db2.gz AXSBRZOJBCZUJC-UHFFFAOYSA-N -1 1 366.801 4.243 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456581059 1116205060 /nfs/dbraw/zinc/20/50/60/1116205060.db2.gz YOWNKWGBXXPYKR-HNNXBMFYSA-N -1 1 362.223 4.115 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1CC ZINC000534498966 1116207783 /nfs/dbraw/zinc/20/77/83/1116207783.db2.gz QABOCOZAJOERFK-UHFFFAOYSA-N -1 1 356.447 4.267 20 0 FIADMM O=C(Nc1ccc([O-])c(F)c1F)C1(c2ccc(F)cc2F)CCCC1 ZINC000456791537 1116218904 /nfs/dbraw/zinc/21/89/04/1116218904.db2.gz YIJSIYLRPQIZKV-UHFFFAOYSA-N -1 1 353.315 4.399 20 0 FIADMM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1c(F)ccc([O-])c1F ZINC000457104687 1116248448 /nfs/dbraw/zinc/24/84/48/1116248448.db2.gz YIVRNEWRRKLVQB-DGCLKSJQSA-N -1 1 351.780 4.390 20 0 FIADMM CCCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1cccc(C)c1 ZINC000016860012 1116328133 /nfs/dbraw/zinc/32/81/33/1116328133.db2.gz KSTSGSXLRLYDST-UHFFFAOYSA-N -1 1 367.474 4.344 20 0 FIADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000491301022 1118262775 /nfs/dbraw/zinc/26/27/75/1118262775.db2.gz RPQDDIKCCILOHQ-DZGCQCFKSA-N -1 1 374.278 4.248 20 0 FIADMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1F ZINC000507600941 1118307808 /nfs/dbraw/zinc/30/78/08/1118307808.db2.gz MWZQAWFRJBAEMM-UHFFFAOYSA-N -1 1 362.209 4.136 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000541025661 1118352697 /nfs/dbraw/zinc/35/26/97/1118352697.db2.gz KZEIVVNMWTYCRE-IUODEOHRSA-N -1 1 370.287 4.243 20 0 FIADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000463903221 1118366097 /nfs/dbraw/zinc/36/60/97/1118366097.db2.gz JWDHEWSDNGSDHH-HZPDHXFCSA-N -1 1 374.506 4.042 20 0 FIADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669933154 1118934817 /nfs/dbraw/zinc/93/48/17/1118934817.db2.gz JFIURJMMGFIQKI-QGZVFWFLSA-N -1 1 371.305 4.261 20 0 FIADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000542455802 1118936033 /nfs/dbraw/zinc/93/60/33/1118936033.db2.gz IJZRTBXKYUHENI-HNNXBMFYSA-N -1 1 360.251 4.093 20 0 FIADMM COc1ccc(-c2ccc(C)c(NC(=O)c3ccc([O-])c(F)c3)c2)cn1 ZINC000669935767 1118949021 /nfs/dbraw/zinc/94/90/21/1118949021.db2.gz CWGHUKRSKOJKQQ-UHFFFAOYSA-N -1 1 352.365 4.163 20 0 FIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1cccc2ncccc21 ZINC000172901125 1118989692 /nfs/dbraw/zinc/98/96/92/1118989692.db2.gz XUFUWZUHVFDUOX-UHFFFAOYSA-N -1 1 366.364 4.140 20 0 FIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(C)o3)cc2)cc1 ZINC000151870390 1118993884 /nfs/dbraw/zinc/99/38/84/1118993884.db2.gz JDEVOVCIONZKDE-ZDUSSCGKSA-N -1 1 371.462 4.359 20 0 FIADMM O=C([N-]c1ncsc1C1CC1)c1nc(Br)sc1Cl ZINC000914119402 1119288931 /nfs/dbraw/zinc/28/89/31/1119288931.db2.gz KLKWHHMTRWAJBU-UHFFFAOYSA-N -1 1 364.677 4.145 20 0 FIADMM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000182866072 1119561974 /nfs/dbraw/zinc/56/19/74/1119561974.db2.gz RCCZXVYIEDWZDH-UHFFFAOYSA-N -1 1 370.257 4.254 20 0 FIADMM CC[C@H](C)[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183541617 1119576763 /nfs/dbraw/zinc/57/67/63/1119576763.db2.gz FZCWXUHIFVZFOL-GJZGRUSLSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1ccc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)s1 ZINC000185049658 1119638129 /nfs/dbraw/zinc/63/81/29/1119638129.db2.gz FWSVDIMPQUDKHW-UHFFFAOYSA-N -1 1 356.472 4.090 20 0 FIADMM COc1ccc(Cl)c(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000189971421 1119922405 /nfs/dbraw/zinc/92/24/05/1119922405.db2.gz KYBCUYLUXUPEGP-UHFFFAOYSA-N -1 1 366.870 4.018 20 0 FIADMM Cc1cc(C)n(-c2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000190931751 1119954379 /nfs/dbraw/zinc/95/43/79/1119954379.db2.gz BQUKFIXICYAXRU-UHFFFAOYSA-N -1 1 356.813 4.492 20 0 FIADMM CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190944145 1119954929 /nfs/dbraw/zinc/95/49/29/1119954929.db2.gz OTRFSSHBNPYTEH-UHFFFAOYSA-N -1 1 361.829 4.218 20 0 FIADMM COC(=O)[C@H](C)Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190987273 1119957076 /nfs/dbraw/zinc/95/70/76/1119957076.db2.gz PXDDMXPLROQILY-LLVKDONJSA-N -1 1 362.813 4.041 20 0 FIADMM Cc1nnsc1C(=O)[N-]c1cc(Cl)ccc1SCC(F)(F)F ZINC000191429520 1119976705 /nfs/dbraw/zinc/97/67/05/1119976705.db2.gz DSVJPEANLRQDOA-UHFFFAOYSA-N -1 1 367.805 4.407 20 0 FIADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000494614376 1119992255 /nfs/dbraw/zinc/99/22/55/1119992255.db2.gz HSCZFHQBNNXKFX-UHFFFAOYSA-N -1 1 365.760 4.082 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(F)cc1OCC(F)F ZINC000192247832 1120046006 /nfs/dbraw/zinc/04/60/06/1120046006.db2.gz FJFMSFUPFZLEDS-UHFFFAOYSA-N -1 1 360.719 4.473 20 0 FIADMM CC(C)c1ccc(C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000192708412 1120076764 /nfs/dbraw/zinc/07/67/64/1120076764.db2.gz OWZIWPATVFZYAF-UHFFFAOYSA-N -1 1 372.490 4.162 20 0 FIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)c3cccc1c23 ZINC000195451454 1120161943 /nfs/dbraw/zinc/16/19/43/1120161943.db2.gz DJVILDVVISDEJN-UHFFFAOYSA-N -1 1 374.368 4.144 20 0 FIADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc21 ZINC000495107118 1120478933 /nfs/dbraw/zinc/47/89/33/1120478933.db2.gz XYXPGMAHORFYOU-GWCFXTLKSA-N -1 1 352.360 4.079 20 0 FIADMM CCC[C@H](C)c1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000761855131 1120554398 /nfs/dbraw/zinc/55/43/98/1120554398.db2.gz SHLWZIJPKJQXTA-VIFPVBQESA-N -1 1 373.331 4.457 20 0 FIADMM COc1cc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000495354641 1120706679 /nfs/dbraw/zinc/70/66/79/1120706679.db2.gz UKQXKFYZJGLSDJ-GOSISDBHSA-N -1 1 357.837 4.422 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc(Cl)c1[O-] ZINC000762624652 1120938894 /nfs/dbraw/zinc/93/88/94/1120938894.db2.gz BPIRVEPGSMFUPG-UHFFFAOYSA-N -1 1 357.797 4.087 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C)s1 ZINC000032531954 1121109867 /nfs/dbraw/zinc/10/98/67/1121109867.db2.gz CDYUMZXOLMKROP-UHFFFAOYSA-N -1 1 351.371 4.064 20 0 FIADMM O=C(N[C@H]1CCSc2ccccc21)c1cc(Br)ccc1[O-] ZINC000032742449 1121116132 /nfs/dbraw/zinc/11/61/32/1121116132.db2.gz RMKDXWMZPGPHGS-ZDUSSCGKSA-N -1 1 364.264 4.122 20 0 FIADMM O=C(N[C@@H]1CCSc2ccccc21)c1cc(Br)ccc1[O-] ZINC000032742448 1121116542 /nfs/dbraw/zinc/11/65/42/1121116542.db2.gz RMKDXWMZPGPHGS-CYBMUJFWSA-N -1 1 364.264 4.122 20 0 FIADMM C[C@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(F)c(F)c1 ZINC000915871248 1121150932 /nfs/dbraw/zinc/15/09/32/1121150932.db2.gz NYTKGQQKPQVJIR-VIFPVBQESA-N -1 1 365.763 4.281 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000055584670 1121254864 /nfs/dbraw/zinc/25/48/64/1121254864.db2.gz XOEGXBYSQMKIFX-UHFFFAOYSA-N -1 1 366.870 4.044 20 0 FIADMM Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046592020 1121284406 /nfs/dbraw/zinc/28/44/06/1121284406.db2.gz SNFZANSAYOZPTD-INIZCTEOSA-N -1 1 370.474 4.091 20 0 FIADMM Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612059 1121285107 /nfs/dbraw/zinc/28/51/07/1121285107.db2.gz JRVCQOUNMLHDMK-INIZCTEOSA-N -1 1 370.474 4.091 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1Cl ZINC000063849279 1121590598 /nfs/dbraw/zinc/59/05/98/1121590598.db2.gz IRMVPUIUECBHTQ-UHFFFAOYSA-N -1 1 353.871 4.374 20 0 FIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1 ZINC000064476459 1121615608 /nfs/dbraw/zinc/61/56/08/1121615608.db2.gz UVSCQNBHYSUION-UHFFFAOYSA-N -1 1 351.493 4.244 20 0 FIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000123845982 1121638934 /nfs/dbraw/zinc/63/89/34/1121638934.db2.gz MGRPXTRQGUZHJR-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)COC2 ZINC000068074876 1121807975 /nfs/dbraw/zinc/80/79/75/1121807975.db2.gz LNMWVZMUSPLXHB-UHFFFAOYSA-N -1 1 351.427 4.185 20 0 FIADMM CCC(C)(C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000073018194 1121914559 /nfs/dbraw/zinc/91/45/59/1121914559.db2.gz RJNCGKKGCICKJH-UHFFFAOYSA-N -1 1 360.479 4.252 20 0 FIADMM COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cc1OC ZINC000186247956 1121982181 /nfs/dbraw/zinc/98/21/81/1121982181.db2.gz NJSZERQLTQJPAI-SECBINFHSA-N -1 1 370.218 4.484 20 0 FIADMM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000917720667 1122410131 /nfs/dbraw/zinc/41/01/31/1122410131.db2.gz LSPZJDZCKRVXLN-UHFFFAOYSA-N -1 1 359.447 4.011 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Br)c(C)c1 ZINC000498006033 1122519503 /nfs/dbraw/zinc/51/95/03/1122519503.db2.gz OGGXBLKHLQADTH-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C(C)C)ccc2C)c1 ZINC000498026470 1122525761 /nfs/dbraw/zinc/52/57/61/1122525761.db2.gz IYLSSEXSEWVXSG-MRXNPFEDSA-N -1 1 374.506 4.335 20 0 FIADMM C[C@@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000556136897 1122688890 /nfs/dbraw/zinc/68/88/90/1122688890.db2.gz UORDXQCOHPCMMP-GFCCVEGCSA-N -1 1 357.454 4.165 20 0 FIADMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000130482194 1122851990 /nfs/dbraw/zinc/85/19/90/1122851990.db2.gz NBKKBAVVTVBUEZ-UHFFFAOYSA-N -1 1 374.440 4.342 20 0 FIADMM CCOC(=O)c1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c(F)cc1C ZINC000556479039 1122912560 /nfs/dbraw/zinc/91/25/60/1122912560.db2.gz VQGZEHGHLMDWDS-UHFFFAOYSA-N -1 1 373.277 4.120 20 0 FIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(Oc2ccccc2)cn1 ZINC000131012499 1122963830 /nfs/dbraw/zinc/96/38/30/1122963830.db2.gz PNNLOAOQZXYYEV-UHFFFAOYSA-N -1 1 372.384 4.485 20 0 FIADMM Cc1cc2ncc(-c3nc4ccc(-c5ccccc5)cc4c(=O)[n-]3)cn2n1 ZINC000498767642 1123001345 /nfs/dbraw/zinc/00/13/45/1123001345.db2.gz VRXPFPAOXUSBBR-UHFFFAOYSA-N -1 1 353.385 4.021 20 0 FIADMM Cc1ccsc1-c1nsc([N-]C(=O)c2sccc2OC(F)F)n1 ZINC000131907944 1123199098 /nfs/dbraw/zinc/19/90/98/1123199098.db2.gz AYJCLJBFUJVZQT-UHFFFAOYSA-N -1 1 373.431 4.490 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1Cc1ccccc1 ZINC000132980556 1123394373 /nfs/dbraw/zinc/39/43/73/1123394373.db2.gz JGXANTCNPJIWDG-HNNXBMFYSA-N -1 1 360.251 4.002 20 0 FIADMM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920453659 1123459887 /nfs/dbraw/zinc/45/98/87/1123459887.db2.gz BZZXHNWEXUNWLM-CQSZACIVSA-N -1 1 370.880 4.101 20 0 FIADMM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1c([O-])cccc1Cl ZINC000920463857 1123460264 /nfs/dbraw/zinc/46/02/64/1123460264.db2.gz HGGMCXMZBUQRIZ-UHFFFAOYSA-N -1 1 372.783 4.302 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000174995548 1123702544 /nfs/dbraw/zinc/70/25/44/1123702544.db2.gz HJVDEFQYJKNPIM-HNNXBMFYSA-N -1 1 358.511 4.001 20 0 FIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000135963133 1123819112 /nfs/dbraw/zinc/81/91/12/1123819112.db2.gz AOHSYWBFWJWHSB-UHFFFAOYSA-N -1 1 371.462 4.126 20 0 FIADMM CSc1nsc([N-]C(=O)c2occc2CSc2ccccc2)n1 ZINC000136109487 1123847839 /nfs/dbraw/zinc/84/78/39/1123847839.db2.gz WOKXHBBPIQXUBC-UHFFFAOYSA-N -1 1 363.489 4.398 20 0 FIADMM CCCCCC(C)(C)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000175534531 1123912757 /nfs/dbraw/zinc/91/27/57/1123912757.db2.gz NSPOHWYNAVVTRN-UHFFFAOYSA-N -1 1 367.544 4.070 20 0 FIADMM Cc1cscc1NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000542727624 1124163301 /nfs/dbraw/zinc/16/33/01/1124163301.db2.gz IJYIGPCYYKJDEB-UHFFFAOYSA-N -1 1 350.856 4.294 20 0 FIADMM C[C@@H]1C[C@H](CC(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)CC(C)(C)C1 ZINC000068427977 1124232420 /nfs/dbraw/zinc/23/24/20/1124232420.db2.gz XIXUHJLDKSSLTR-ZIAGYGMSSA-N -1 1 364.559 4.036 20 0 FIADMM O=C1CCCN1CC[C@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000180776605 1124429014 /nfs/dbraw/zinc/42/90/14/1124429014.db2.gz RVWNIMIXWWNHAM-HNNXBMFYSA-N -1 1 370.880 4.162 20 0 FIADMM O=C([N-]CCCSCc1csc(Cc2ccccc2)n1)C(F)(F)F ZINC000180780035 1124434554 /nfs/dbraw/zinc/43/45/54/1124434554.db2.gz KWVBYTSKGONGCR-UHFFFAOYSA-N -1 1 374.453 4.036 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(c2ccco2)CC1 ZINC000617385461 1124531436 /nfs/dbraw/zinc/53/14/36/1124531436.db2.gz GDMGLVQMUVVERV-UHFFFAOYSA-N -1 1 356.809 4.207 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000109130710 1124539166 /nfs/dbraw/zinc/53/91/66/1124539166.db2.gz SLGUNQHJCSXYAO-UHFFFAOYSA-N -1 1 368.458 4.204 20 0 FIADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(CNc3ccccc3)cc2)c1 ZINC001212303624 1124578103 /nfs/dbraw/zinc/57/81/03/1124578103.db2.gz FDMVOGGEMIZGPU-UHFFFAOYSA-N -1 1 368.458 4.151 20 0 FIADMM C/C(=C/c1ccc(C)cc1)C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000181197918 1124727979 /nfs/dbraw/zinc/72/79/79/1124727979.db2.gz UROXNAFMUVTIIN-BENRWUELSA-N -1 1 363.244 4.166 20 0 FIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000247918854 1124731465 /nfs/dbraw/zinc/73/14/65/1124731465.db2.gz GPJRWJDZOXBINI-UHFFFAOYSA-N -1 1 366.442 4.113 20 0 FIADMM CCc1onc(C)c1[N-]C(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000089409102 1124905069 /nfs/dbraw/zinc/90/50/69/1124905069.db2.gz ORKMONPWSXUZDK-UHFFFAOYSA-N -1 1 368.437 4.018 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000672241875 1124915356 /nfs/dbraw/zinc/91/53/56/1124915356.db2.gz OCNXCZAAQKMPKC-UHFFFAOYSA-N -1 1 351.233 4.193 20 0 FIADMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H](C)C1 ZINC001212450013 1125062466 /nfs/dbraw/zinc/06/24/66/1125062466.db2.gz GZXWEIZCGXZYPM-URLYPYJESA-N -1 1 368.301 4.483 20 0 FIADMM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000672513811 1125149363 /nfs/dbraw/zinc/14/93/63/1125149363.db2.gz OFANEBIUGZDAHK-NSHDSACASA-N -1 1 355.331 4.253 20 0 FIADMM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603879600 568175901 /nfs/dbraw/zinc/17/59/01/568175901.db2.gz AWEZFJYXFHQHAZ-ZDUSSCGKSA-N -1 1 353.447 4.043 20 0 FIADMM C[C@H]1CCCC[C@@H]1CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000603961844 568190490 /nfs/dbraw/zinc/19/04/90/568190490.db2.gz TWCKTTCLYHMUDU-DLBZAZTESA-N -1 1 372.509 4.213 20 0 FIADMM O=C(CSc1nnc(Nc2cccc(F)c2)s1)c1ccc([O-])cc1 ZINC000007853387 568262318 /nfs/dbraw/zinc/26/23/18/568262318.db2.gz ADEQRCWYGCBOIU-UHFFFAOYSA-N -1 1 361.423 4.101 20 0 FIADMM C[C@@H]1CCC[C@@H](CCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000604598624 568322681 /nfs/dbraw/zinc/32/26/81/568322681.db2.gz HUHCCEAYEMHVAV-SJORKVTESA-N -1 1 372.509 4.213 20 0 FIADMM CC(C)(C)C[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC001589764720 988106595 /nfs/dbraw/zinc/10/65/95/988106595.db2.gz UPPOSNXOXYRFRQ-CQSZACIVSA-N -1 1 371.481 4.070 20 0 FIADMM Cc1ccc(-c2nsc([N-]C(=O)c3oc4c(c3C)C(=O)CCC4)n2)s1 ZINC000066412984 1125568031 /nfs/dbraw/zinc/56/80/31/1125568031.db2.gz CUPKXLWHZPMRPE-UHFFFAOYSA-N -1 1 373.459 4.248 20 0 FIADMM Cn1ccnc1SCc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000182867242 1125663935 /nfs/dbraw/zinc/66/39/35/1125663935.db2.gz KVTVPYPNXLVPGR-UHFFFAOYSA-N -1 1 373.865 4.324 20 0 FIADMM CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCC1 ZINC000182872675 1125665026 /nfs/dbraw/zinc/66/50/26/1125665026.db2.gz YJXMYFTWBNRSBO-UHFFFAOYSA-N -1 1 368.861 4.069 20 0 FIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)C(C)(C)C)c(=O)[n-]1 ZINC000041868616 1079528564 /nfs/dbraw/zinc/52/85/64/1079528564.db2.gz AXEYJJFCNJUWTM-QGZVFWFLSA-N -1 1 373.522 4.049 20 0 FIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(c2cccc(Cl)c2)CC1 ZINC000579776765 1079652296 /nfs/dbraw/zinc/65/22/96/1079652296.db2.gz BYWHVAFKSMFJDY-UHFFFAOYSA-N -1 1 351.780 4.344 20 0 FIADMM Cc1ccc(C2(C(=O)Nc3ccc([O-])c(Cl)c3)CCOCC2)cc1C ZINC000654935040 1079753409 /nfs/dbraw/zinc/75/34/09/1079753409.db2.gz JWECIQGZCUMDII-UHFFFAOYSA-N -1 1 359.853 4.349 20 0 FIADMM O=C(c1ccccc1)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000014412894 1079780114 /nfs/dbraw/zinc/78/01/14/1079780114.db2.gz PAMIWXWOOZZKKY-UHFFFAOYSA-N -1 1 359.425 4.281 20 0 FIADMM CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(Cl)c1 ZINC000109103882 1080043412 /nfs/dbraw/zinc/04/34/12/1080043412.db2.gz JKSUHMWJEXTDLP-UHFFFAOYSA-N -1 1 354.793 4.410 20 0 FIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(-c2ccccc2)no1 ZINC000126965276 1080044117 /nfs/dbraw/zinc/04/41/17/1080044117.db2.gz SUEHJFGBGFOLLA-QMMMGPOBSA-N -1 1 368.340 4.104 20 0 FIADMM Cc1cc(Br)oc1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000109110226 1080046233 /nfs/dbraw/zinc/04/62/33/1080046233.db2.gz REHRAPBIAZVTFI-UHFFFAOYSA-N -1 1 370.253 4.183 20 0 FIADMM O=C(NCC1(Cc2cccc(Cl)c2)CC1)c1c(F)ccc([O-])c1F ZINC000458011985 1080424001 /nfs/dbraw/zinc/42/40/01/1080424001.db2.gz LVCBTBOUQSYBEQ-UHFFFAOYSA-N -1 1 351.780 4.077 20 0 FIADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(C(F)(F)F)cc1Cl ZINC000180201558 1080466197 /nfs/dbraw/zinc/46/61/97/1080466197.db2.gz BBPOJNSEZQGOPB-UHFFFAOYSA-N -1 1 371.167 4.208 20 0 FIADMM N#CCOc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000077955814 1080478990 /nfs/dbraw/zinc/47/89/90/1080478990.db2.gz GVERGSKRLIVGBM-UHFFFAOYSA-N -1 1 364.426 4.057 20 0 FIADMM CCCCc1nnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)s1 ZINC000047441299 1080505786 /nfs/dbraw/zinc/50/57/86/1080505786.db2.gz ZWAKSDWJZAXTNW-UHFFFAOYSA-N -1 1 362.842 4.441 20 0 FIADMM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2C1 ZINC000045946946 1080647898 /nfs/dbraw/zinc/64/78/98/1080647898.db2.gz GNZSRICNJWKGHT-VIFPVBQESA-N -1 1 372.416 4.288 20 0 FIADMM O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc([O-])c(F)c1 ZINC000683345418 1080686711 /nfs/dbraw/zinc/68/67/11/1080686711.db2.gz YZUWUCUMIICLGB-CQSZACIVSA-N -1 1 369.421 4.103 20 0 FIADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000652500317 1080835763 /nfs/dbraw/zinc/83/57/63/1080835763.db2.gz LNBHWIVVKJADTA-LBPRGKRZSA-N -1 1 350.509 4.194 20 0 FIADMM CCc1noc(C)c1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000547853542 1080972405 /nfs/dbraw/zinc/97/24/05/1080972405.db2.gz LRRINCBQVQNNRG-UHFFFAOYSA-N -1 1 366.493 4.003 20 0 FIADMM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(F)c2[O-])CC1=O ZINC001648847492 1081288528 /nfs/dbraw/zinc/28/85/28/1081288528.db2.gz QCDJZMKNZYLKIL-UONOGXRCSA-N -1 1 370.424 4.036 20 0 FIADMM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001648847513 1081288881 /nfs/dbraw/zinc/28/88/81/1081288881.db2.gz QZZGYPPTPIWPPA-UHFFFAOYSA-N -1 1 365.364 4.428 20 0 FIADMM O=C(Nc1cccc(F)c1[O-])c1cc(-c2cccc(Cl)c2F)no1 ZINC001648850014 1081290777 /nfs/dbraw/zinc/29/07/77/1081290777.db2.gz AUMPCOCIERVBAW-UHFFFAOYSA-N -1 1 350.708 4.231 20 0 FIADMM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035012 1081503715 /nfs/dbraw/zinc/50/37/15/1081503715.db2.gz DTXWWBQSVABKRS-AAEUAGOBSA-N -1 1 368.264 4.012 20 0 FIADMM C[C@@H](CN(Cc1coc(-c2ccccc2C(F)(F)F)n1)C1CC1)C(=O)[O-] ZINC000634692730 1081531034 /nfs/dbraw/zinc/53/10/34/1081531034.db2.gz HRUQNNRMISGHIB-NSHDSACASA-N -1 1 368.355 4.046 20 0 FIADMM C[S@](=O)Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1Cl ZINC000115267238 1081548793 /nfs/dbraw/zinc/54/87/93/1081548793.db2.gz CJQAPNBQYSUFGX-RUZDIDTESA-N -1 1 373.861 4.330 20 0 FIADMM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)[N-]OCC1CCC1)OCC3 ZINC001167368654 1081756843 /nfs/dbraw/zinc/75/68/43/1081756843.db2.gz DVSHSAVZHYXCCY-JOCHJYFZSA-N -1 1 370.493 4.146 20 0 FIADMM Nc1cccc(S(=O)(=O)N(c2ccccc2)c2cccc([O-])c2Cl)c1 ZINC001210855738 1081786211 /nfs/dbraw/zinc/78/62/11/1081786211.db2.gz UIAYRVWDLPDHFB-UHFFFAOYSA-N -1 1 374.849 4.155 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937624 1081964158 /nfs/dbraw/zinc/96/41/58/1081964158.db2.gz KMRXVSJLAORKBJ-UHFFFAOYSA-N -1 1 363.382 4.108 20 0 FIADMM COC(=O)c1cc(F)cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1 ZINC001167445507 1082310301 /nfs/dbraw/zinc/31/03/01/1082310301.db2.gz ZBPXUCJDADPNSB-UHFFFAOYSA-N -1 1 373.767 4.377 20 0 FIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1=CCCCCC1 ZINC000128973193 1082534166 /nfs/dbraw/zinc/53/41/66/1082534166.db2.gz IZOJHVGOPQYUGA-UHFFFAOYSA-N -1 1 370.474 4.316 20 0 FIADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1coc(C2CC2)n1 ZINC000684235905 1082543485 /nfs/dbraw/zinc/54/34/85/1082543485.db2.gz HDMHSYQURGSPOX-UHFFFAOYSA-N -1 1 364.789 4.115 20 0 FIADMM Cc1ccnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1C1CC1 ZINC000656739094 1082739042 /nfs/dbraw/zinc/73/90/42/1082739042.db2.gz SRDDSVWYBJNQME-UHFFFAOYSA-N -1 1 370.396 4.228 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)[C@@H]2CCCC[C@H]12 ZINC000656762896 1082755105 /nfs/dbraw/zinc/75/51/05/1082755105.db2.gz DFUBSHQFAALXFH-RBSFLKMASA-N -1 1 373.827 4.407 20 0 FIADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(Cl)cc1F ZINC000127298012 1082902398 /nfs/dbraw/zinc/90/23/98/1082902398.db2.gz CSADNOLFNYUWKQ-UHFFFAOYSA-N -1 1 372.824 4.019 20 0 FIADMM Cc1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)s1 ZINC000843578406 1082945325 /nfs/dbraw/zinc/94/53/25/1082945325.db2.gz CIVHLWGMDQHYGH-ZCFIWIBFSA-N -1 1 366.220 4.123 20 0 FIADMM CCOc1ccc(-c2nc(CN3CCCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000650506210 1082964678 /nfs/dbraw/zinc/96/46/78/1082964678.db2.gz CRNGKXZZUYSNIM-MRXNPFEDSA-N -1 1 360.479 4.038 20 0 FIADMM Cc1oc(C(C)C)nc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000510711618 1083252434 /nfs/dbraw/zinc/25/24/34/1083252434.db2.gz LSFPDFHNMTWJPJ-UHFFFAOYSA-N -1 1 360.464 4.361 20 0 FIADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000091728324 1083280309 /nfs/dbraw/zinc/28/03/09/1083280309.db2.gz TYZDDDNSVDGVSX-HNNXBMFYSA-N -1 1 363.255 4.163 20 0 FIADMM Fc1ccc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)c(F)c1Cl ZINC001213591457 1083331756 /nfs/dbraw/zinc/33/17/56/1083331756.db2.gz ADQXFBVUNZNKQH-UHFFFAOYSA-N -1 1 350.634 4.077 20 0 FIADMM Fc1ccc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)c(F)c1Cl ZINC001213591457 1083331760 /nfs/dbraw/zinc/33/17/60/1083331760.db2.gz ADQXFBVUNZNKQH-UHFFFAOYSA-N -1 1 350.634 4.077 20 0 FIADMM O=C(c1ncc2ccccc2c1[O-])N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000612128615 1083405612 /nfs/dbraw/zinc/40/56/12/1083405612.db2.gz AGWBZPUFAKZWCN-ZWKOTPCHSA-N -1 1 366.461 4.085 20 0 FIADMM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1C1CC1 ZINC000535700366 1083588308 /nfs/dbraw/zinc/58/83/08/1083588308.db2.gz URTQDIFSXFBOCE-GFCCVEGCSA-N -1 1 365.437 4.080 20 0 FIADMM C[C@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131750684 1083702673 /nfs/dbraw/zinc/70/26/73/1083702673.db2.gz IDOPFSLXVQKVCE-CYBMUJFWSA-N -1 1 355.507 4.475 20 0 FIADMM C[C@@H]1CC(C)(C)C[C@](C)([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC001213602987 1083738723 /nfs/dbraw/zinc/73/87/23/1083738723.db2.gz HLPZPJMIZOUAPN-MEBBXXQBSA-N -1 1 365.326 4.272 20 0 FIADMM CC[C@H](C)[C@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000277120714 1083755360 /nfs/dbraw/zinc/75/53/60/1083755360.db2.gz AWQWPMIKFGTNCV-ZBEGNZNMSA-N -1 1 366.255 4.298 20 0 FIADMM O=C1c2ccccc2N[C@@H](c2ccc([O-])c(Cl)c2)N1CC(F)(F)F ZINC000065887995 1083757219 /nfs/dbraw/zinc/75/72/19/1083757219.db2.gz ADKBPWYOTRNMKA-CQSZACIVSA-N -1 1 356.731 4.174 20 0 FIADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ncc3ccccc3c1[O-])CCC2 ZINC000612473463 1083834874 /nfs/dbraw/zinc/83/48/74/1083834874.db2.gz QXZSZSNXYHHHPH-OAHLLOKOSA-N -1 1 367.474 4.109 20 0 FIADMM CCCC[C@H](CCC)CNC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000177294172 1083836069 /nfs/dbraw/zinc/83/60/69/1083836069.db2.gz LMYLVZQBIDNVEC-ZDUSSCGKSA-N -1 1 366.556 4.392 20 0 FIADMM CCc1nc(SCc2cc(-c3ccc(OC)cc3)no2)[n-]c(=O)c1C ZINC000657263913 1084126883 /nfs/dbraw/zinc/12/68/83/1084126883.db2.gz IBEQBVNKDMPUQN-UHFFFAOYSA-N -1 1 357.435 4.009 20 0 FIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000548964150 1084200204 /nfs/dbraw/zinc/20/02/04/1084200204.db2.gz KERHRYJCYZBEJJ-CYBMUJFWSA-N -1 1 370.811 4.363 20 0 FIADMM CCOc1cc(C(=O)NC[C@H](CC)CC(F)(F)F)cc(Cl)c1[O-] ZINC000414001468 1084257563 /nfs/dbraw/zinc/25/75/63/1084257563.db2.gz GLUFXXRKXBURSL-SECBINFHSA-N -1 1 353.768 4.153 20 0 FIADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000119661991 1084292984 /nfs/dbraw/zinc/29/29/84/1084292984.db2.gz MHEJOOQGPQVTTM-UHFFFAOYSA-N -1 1 361.463 4.081 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc2ccccc2c1 ZINC000119781121 1084571658 /nfs/dbraw/zinc/57/16/58/1084571658.db2.gz PUZUPWHWERTDFW-UHFFFAOYSA-N -1 1 350.399 4.296 20 0 FIADMM CC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCCC1 ZINC000548689448 1084686207 /nfs/dbraw/zinc/68/62/07/1084686207.db2.gz AESARHFSAMITSK-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc([O-])c(F)c1 ZINC000684780343 1084727795 /nfs/dbraw/zinc/72/77/95/1084727795.db2.gz AWAUGXBAPQGHLW-MQMHXKEQSA-N -1 1 353.315 4.226 20 0 FIADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(Cl)cc(Cl)c1F ZINC000636359979 1084732775 /nfs/dbraw/zinc/73/27/75/1084732775.db2.gz XAWCPMDWDQYYOD-SECBINFHSA-N -1 1 362.213 4.088 20 0 FIADMM CCOc1cc(C(=O)N2CCCCc3sccc32)cc(Cl)c1[O-] ZINC000684784979 1084735410 /nfs/dbraw/zinc/73/54/10/1084735410.db2.gz FYAAEDBAGUELMU-UHFFFAOYSA-N -1 1 351.855 4.489 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCCCc2sccc21 ZINC000684785727 1084738107 /nfs/dbraw/zinc/73/81/07/1084738107.db2.gz YJWNCEFFKWMCGL-UHFFFAOYSA-N -1 1 352.253 4.199 20 0 FIADMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000582186805 1084754922 /nfs/dbraw/zinc/75/49/22/1084754922.db2.gz RNSYVNKSYWBCIP-SFHVURJKSA-N -1 1 364.898 4.074 20 0 FIADMM CCn1c(CNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)n[n-]c1=S ZINC000066636244 1084798287 /nfs/dbraw/zinc/79/82/87/1084798287.db2.gz MDSGABXAYBORCH-UHFFFAOYSA-N -1 1 370.453 4.005 20 0 FIADMM CC(C)n1c(CNC(=O)c2ccc(Oc3ccccc3)cc2)n[n-]c1=S ZINC000066640103 1084829434 /nfs/dbraw/zinc/82/94/34/1084829434.db2.gz FWGLAOVSLKBTRA-UHFFFAOYSA-N -1 1 368.462 4.244 20 0 FIADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2Br)ccc1Cl ZINC000582294353 1084844609 /nfs/dbraw/zinc/84/46/09/1084844609.db2.gz DAALMWMAOKZBRV-OAHLLOKOSA-N -1 1 368.658 4.326 20 0 FIADMM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC000613510329 1084880564 /nfs/dbraw/zinc/88/05/64/1084880564.db2.gz YKDOVJCERWHMHF-SANMLTNESA-N -1 1 369.417 4.091 20 0 FIADMM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC000613510328 1084880914 /nfs/dbraw/zinc/88/09/14/1084880914.db2.gz YKDOVJCERWHMHF-AREMUKBSSA-N -1 1 369.417 4.091 20 0 FIADMM O=S(=O)([N-]c1cccc(F)c1F)c1c(Cl)cccc1C(F)(F)F ZINC000158097711 1084902124 /nfs/dbraw/zinc/90/21/24/1084902124.db2.gz KHANZUCAUJPLPY-UHFFFAOYSA-N -1 1 371.714 4.438 20 0 FIADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1ccc(F)c(Cl)c1 ZINC000024429670 1084905093 /nfs/dbraw/zinc/90/50/93/1084905093.db2.gz NHJWZJXHGHOLIJ-UHFFFAOYSA-N -1 1 369.723 4.179 20 0 FIADMM CSc1nsc([N-]C(=O)c2csc(-c3ccccc3Cl)n2)n1 ZINC000175524331 1084954163 /nfs/dbraw/zinc/95/41/63/1084954163.db2.gz ZSVDQWYMTCRBMC-UHFFFAOYSA-N -1 1 368.896 4.289 20 0 FIADMM CC(C)Oc1ccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870401 1084998685 /nfs/dbraw/zinc/99/86/85/1084998685.db2.gz FIXSFBZCRZZNBE-UHFFFAOYSA-N -1 1 353.340 4.128 20 0 FIADMM CC(C)(C)c1csc(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC000684874503 1085010152 /nfs/dbraw/zinc/01/01/52/1085010152.db2.gz WFTUHJUKMHSZBN-UHFFFAOYSA-N -1 1 372.412 4.138 20 0 FIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000684877752 1085021519 /nfs/dbraw/zinc/02/15/19/1085021519.db2.gz XGJVOLWKDNYXMN-UHFFFAOYSA-N -1 1 365.351 4.169 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)c2ccccc12 ZINC000511132458 1085049332 /nfs/dbraw/zinc/04/93/32/1085049332.db2.gz TXGJCXUQMUZZAZ-UHFFFAOYSA-N -1 1 359.472 4.371 20 0 FIADMM O=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000658983626 1085059540 /nfs/dbraw/zinc/05/95/40/1085059540.db2.gz ZAVZFRQBCXZXFX-UHFFFAOYSA-N -1 1 372.490 4.396 20 0 FIADMM COCCCOc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000432186543 1085148430 /nfs/dbraw/zinc/14/84/30/1085148430.db2.gz PMFXKGRZENSNNG-UHFFFAOYSA-N -1 1 363.479 4.026 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432192098 1085189633 /nfs/dbraw/zinc/18/96/33/1085189633.db2.gz MFKXMCLSRLCDHO-UHFFFAOYSA-N -1 1 362.838 4.468 20 0 FIADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cc(F)c(F)cc1F ZINC000591795098 1085234663 /nfs/dbraw/zinc/23/46/63/1085234663.db2.gz XJVGQSFSDMYMNR-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM C[C@@H](Cc1nnc(SCC(=O)c2ccc([O-])cc2)o1)c1ccccc1 ZINC000024074335 1085368531 /nfs/dbraw/zinc/36/85/31/1085368531.db2.gz TUJRPAVKHMZBHP-ZDUSSCGKSA-N -1 1 354.431 4.096 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)(C)C)ccc2C)c1 ZINC000029897371 1085370098 /nfs/dbraw/zinc/37/00/98/1085370098.db2.gz FJEKDAOORHSKQS-UHFFFAOYSA-N -1 1 374.506 4.479 20 0 FIADMM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000044620726 1085412163 /nfs/dbraw/zinc/41/21/63/1085412163.db2.gz CTQLXROXYJGLMD-AWEZNQCLSA-N -1 1 352.228 4.004 20 0 FIADMM CCc1nc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c(=O)c1C ZINC000563440618 1085412657 /nfs/dbraw/zinc/41/26/57/1085412657.db2.gz MWVQKNLOERKYOB-AWEZNQCLSA-N -1 1 359.495 4.098 20 0 FIADMM CS[C@@H](C)CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000582787219 1085723754 /nfs/dbraw/zinc/72/37/54/1085723754.db2.gz BOGLCPVHAOABPJ-ZETCQYMHSA-N -1 1 352.681 4.278 20 0 FIADMM CC(C)c1scnc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000582816513 1085761832 /nfs/dbraw/zinc/76/18/32/1085761832.db2.gz IRFNSTXMHSDYPY-UHFFFAOYSA-N -1 1 352.872 4.046 20 0 FIADMM COc1cc(-c2noc(C(C3CC3)C3CC3)n2)cc(Br)c1[O-] ZINC000582943915 1085952701 /nfs/dbraw/zinc/95/27/01/1085952701.db2.gz ZHKYBFFONFISKL-UHFFFAOYSA-N -1 1 365.227 4.117 20 0 FIADMM CCOc1cc(C(=O)NCCC2CC(OC(C)(C)C)C2)cc(Cl)c1[O-] ZINC000432284389 1086031908 /nfs/dbraw/zinc/03/19/08/1086031908.db2.gz HZJLSLPYRUXGGH-UHFFFAOYSA-N -1 1 369.889 4.158 20 0 FIADMM CCc1ccc([C@H]2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000431515049 1086033761 /nfs/dbraw/zinc/03/37/61/1086033761.db2.gz WLQOEXKLZBJWTJ-FQEVSTJZSA-N -1 1 374.488 4.417 20 0 FIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000115495344 1086307253 /nfs/dbraw/zinc/30/72/53/1086307253.db2.gz PMXXMGUWYBIQFM-UHFFFAOYSA-N -1 1 359.425 4.281 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc2C)n1 ZINC000150804909 1086352494 /nfs/dbraw/zinc/35/24/94/1086352494.db2.gz AGHNNPRXDRSAOL-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2C)n1 ZINC000150803564 1086353085 /nfs/dbraw/zinc/35/30/85/1086353085.db2.gz PMMVHDLFCRUCLM-UHFFFAOYSA-N -1 1 364.373 4.037 20 0 FIADMM Cc1cc(Br)c(CN2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)cc1Cl ZINC000662227650 1086356916 /nfs/dbraw/zinc/35/69/16/1086356916.db2.gz XIADJIKXSCXWRG-MDZLAQPJSA-N -1 1 374.706 4.485 20 0 FIADMM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000184754249 1086359051 /nfs/dbraw/zinc/35/90/51/1086359051.db2.gz FJPDBKHEEIRDHJ-IAQYHMDHSA-N -1 1 350.340 4.029 20 0 FIADMM CC(C)NC(=O)N[N-]C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000063265567 1086418148 /nfs/dbraw/zinc/41/81/48/1086418148.db2.gz GZHYMMZBLJZGQI-UHFFFAOYSA-N -1 1 372.277 4.074 20 0 FIADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](c2ccsc2)O1 ZINC000150869504 1086511421 /nfs/dbraw/zinc/51/14/21/1086511421.db2.gz JLEBVKOVONKHGV-DJJJIMSYSA-N -1 1 353.443 4.209 20 0 FIADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](c2ccsc2)O1 ZINC000150869460 1086511564 /nfs/dbraw/zinc/51/15/64/1086511564.db2.gz JLEBVKOVONKHGV-YJYMSZOUSA-N -1 1 353.443 4.209 20 0 FIADMM CS[C@@H]1CCCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000583446208 1086693267 /nfs/dbraw/zinc/69/32/67/1086693267.db2.gz TWGXLHJQCPSGCP-MRXNPFEDSA-N -1 1 362.520 4.226 20 0 FIADMM Cc1ccnc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](c2ccccc2)CC4)n1 ZINC000432514683 1086903847 /nfs/dbraw/zinc/90/38/47/1086903847.db2.gz NPBHBUSARNXPHG-AWEZNQCLSA-N -1 1 374.469 4.435 20 0 FIADMM O=C(NNc1cccc(Br)c1)c1cc2ccccc2cc1[O-] ZINC000219216196 1086912207 /nfs/dbraw/zinc/91/22/07/1086912207.db2.gz YGMOLBFSGALKKP-UHFFFAOYSA-N -1 1 357.207 4.065 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1nc2ccccc2cc1Cl ZINC000583841281 1086989623 /nfs/dbraw/zinc/98/96/23/1086989623.db2.gz NBFQQRXAKHKGMX-UHFFFAOYSA-N -1 1 364.792 4.236 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000584060619 1087146305 /nfs/dbraw/zinc/14/63/05/1087146305.db2.gz WMSCTJPSZOIHAB-UHFFFAOYSA-N -1 1 352.284 4.311 20 0 FIADMM CCOc1cc(C(=O)N2CCc3ccc(Cl)cc32)cc(Cl)c1[O-] ZINC000584443169 1087416856 /nfs/dbraw/zinc/41/68/56/1087416856.db2.gz ZOAYNXRNUYNHOR-UHFFFAOYSA-N -1 1 352.217 4.301 20 0 FIADMM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ccc(F)cc1[O-] ZINC000536219040 1087503264 /nfs/dbraw/zinc/50/32/64/1087503264.db2.gz FDHMUJLAOKIIGX-UHFFFAOYSA-N -1 1 350.802 4.366 20 0 FIADMM O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1c(F)ccc([O-])c1F ZINC000685484087 1087581548 /nfs/dbraw/zinc/58/15/48/1087581548.db2.gz JZHRBIYWBZUIPO-UHFFFAOYSA-N -1 1 350.321 4.185 20 0 FIADMM Cc1ccc(Nc2nc(CN3CCCC[C@@H]3CCC(=O)[O-])cs2)cc1 ZINC000424263312 1087886434 /nfs/dbraw/zinc/88/64/34/1087886434.db2.gz RTFPRPHCNFHYET-QGZVFWFLSA-N -1 1 359.495 4.414 20 0 FIADMM Cc1cc(Br)c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC000424411523 1087981825 /nfs/dbraw/zinc/98/18/25/1087981825.db2.gz KTEQBORCJWBVAC-YMTOWFKASA-N -1 1 360.679 4.096 20 0 FIADMM CCOc1cc(C(=O)NC2(c3nccs3)CCCC2)cc(Cl)c1[O-] ZINC000186815582 1087987420 /nfs/dbraw/zinc/98/74/20/1087987420.db2.gz NWECEFOVFZALAD-UHFFFAOYSA-N -1 1 366.870 4.100 20 0 FIADMM CCOc1cc(C(=O)NC[C@@H](C)Cc2cccs2)cc(Cl)c1[O-] ZINC000186833932 1088002106 /nfs/dbraw/zinc/00/21/06/1088002106.db2.gz ODCMWQRMVJDUKC-NSHDSACASA-N -1 1 353.871 4.114 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(OCCF)c2)cc(Cl)c1[O-] ZINC000186865217 1088017819 /nfs/dbraw/zinc/01/78/19/1088017819.db2.gz WESPDNGWYJQVAI-UHFFFAOYSA-N -1 1 353.777 4.045 20 0 FIADMM CCCC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000605589188 1088126948 /nfs/dbraw/zinc/12/69/48/1088126948.db2.gz OAIVMTPPZKZBOI-SNVBAGLBSA-N -1 1 374.717 4.130 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1F ZINC000505312248 1088345073 /nfs/dbraw/zinc/34/50/73/1088345073.db2.gz PBKLEMFZVYRFIY-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM CC(C)C[C@H](C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000589876710 1088776274 /nfs/dbraw/zinc/77/62/74/1088776274.db2.gz HVJWLPUBKGQVMB-INIZCTEOSA-N -1 1 374.506 4.498 20 0 FIADMM CC(C)(C)c1cccc(OCCCN2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000659791158 1088862480 /nfs/dbraw/zinc/86/24/80/1088862480.db2.gz SXROWFPKBKXLNC-UHFFFAOYSA-N -1 1 353.462 4.467 20 0 FIADMM Cc1cccc(C(C)C)c1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188139402 1088904428 /nfs/dbraw/zinc/90/44/28/1088904428.db2.gz DIWGTJFLXNCCKH-UHFFFAOYSA-N -1 1 357.479 4.222 20 0 FIADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000377173715 1089039439 /nfs/dbraw/zinc/03/94/39/1089039439.db2.gz APOVQEVXEFALDH-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)sc1Cl ZINC000613663722 1089229606 /nfs/dbraw/zinc/22/96/06/1089229606.db2.gz AIKCBLFRDORMKC-UHFFFAOYSA-N -1 1 354.218 4.403 20 0 FIADMM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613667525 1089255811 /nfs/dbraw/zinc/25/58/11/1089255811.db2.gz XZXQSQPAZMBCMI-UHFFFAOYSA-N -1 1 365.458 4.002 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000613668446 1089264966 /nfs/dbraw/zinc/26/49/66/1089264966.db2.gz ULVYWRNAKDXPTF-NEPJUHHUSA-N -1 1 353.344 4.090 20 0 FIADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc(CCc2ccccc2)ccc1O ZINC001625894232 1090031366 /nfs/dbraw/zinc/03/13/66/1090031366.db2.gz SZUFTPVRUYPABF-UHFFFAOYSA-N -1 1 369.367 4.414 20 0 FIADMM CC(C)(C)c1ncc(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000182135345 1090046792 /nfs/dbraw/zinc/04/67/92/1090046792.db2.gz ZTECDROEIRSXQP-UHFFFAOYSA-N -1 1 350.494 4.273 20 0 FIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)c(Cl)cc1F ZINC000182151077 1090056289 /nfs/dbraw/zinc/05/62/89/1090056289.db2.gz DPDWZGGBWRCXEB-UHFFFAOYSA-N -1 1 357.794 4.451 20 0 FIADMM COc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000221502170 1090177367 /nfs/dbraw/zinc/17/73/67/1090177367.db2.gz BAYSAELDUZSHLI-UHFFFAOYSA-N -1 1 356.603 4.069 20 0 FIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1cccc2ccccc21 ZINC000180272354 1090182747 /nfs/dbraw/zinc/18/27/47/1090182747.db2.gz YEKGBIOPEVTIOJ-UHFFFAOYSA-N -1 1 353.230 4.342 20 0 FIADMM COC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000180602008 1090222376 /nfs/dbraw/zinc/22/23/76/1090222376.db2.gz VDRKAKIESQNVDO-UHFFFAOYSA-N -1 1 354.337 4.115 20 0 FIADMM COc1ccc(Cl)cc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363864858 1090419412 /nfs/dbraw/zinc/41/94/12/1090419412.db2.gz MMZMBLCTRMJDEI-UHFFFAOYSA-N -1 1 359.853 4.426 20 0 FIADMM CCCSC[C@@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000417584583 1090932346 /nfs/dbraw/zinc/93/23/46/1090932346.db2.gz ODLNJNVSRIUSAT-CQSZACIVSA-N -1 1 370.927 4.150 20 0 FIADMM Cc1cc([C@@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])ccc1Cl ZINC000417575423 1090933249 /nfs/dbraw/zinc/93/32/49/1090933249.db2.gz SOKCNRCKAGVXFZ-LLVKDONJSA-N -1 1 364.776 4.039 20 0 FIADMM O=C([O-])[C@H](CC1CC1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000417610011 1090938395 /nfs/dbraw/zinc/93/83/95/1090938395.db2.gz SFYDWASVWIOVGR-HNNXBMFYSA-N -1 1 364.239 4.052 20 0 FIADMM Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(Br)c1 ZINC000417617769 1090940269 /nfs/dbraw/zinc/94/02/69/1090940269.db2.gz CLUZHGGYBQSQOO-NVXWUHKLSA-N -1 1 360.251 4.160 20 0 FIADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])[C@H]3CCOC4(CCC4)C3)o2)cc1 ZINC000417640330 1090952096 /nfs/dbraw/zinc/95/20/96/1090952096.db2.gz XMRBGWSCKMXXHP-PXNSSMCTSA-N -1 1 369.461 4.147 20 0 FIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000191275508 1091061975 /nfs/dbraw/zinc/06/19/75/1091061975.db2.gz WSCSOIXEUAYTIC-UHFFFAOYSA-N -1 1 373.474 4.234 20 0 FIADMM COc1ccc(-c2ccc(/C=C/C(=O)c3ccc([O-])cc3)o2)c([N+](=O)[O-])c1 ZINC000016405691 1091065182 /nfs/dbraw/zinc/06/51/82/1091065182.db2.gz RALFSVODJHQRKF-JXMROGBWSA-N -1 1 365.341 4.465 20 0 FIADMM CC(C)CCC[C@@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042930352 1091101609 /nfs/dbraw/zinc/10/16/09/1091101609.db2.gz ZZCNNRQIIKREEM-MRXNPFEDSA-N -1 1 360.498 4.211 20 0 FIADMM CCn1ncc2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc21 ZINC000500299803 1091242881 /nfs/dbraw/zinc/24/28/81/1091242881.db2.gz CCUIUHJUCZXGCT-UHFFFAOYSA-N -1 1 357.479 4.091 20 0 FIADMM Cc1nc([C@H](C)[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122052 1091269033 /nfs/dbraw/zinc/26/90/33/1091269033.db2.gz XJNXASAGQSSVQB-DETPVDSQSA-N -1 1 362.857 4.407 20 0 FIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1C ZINC000500345673 1091332775 /nfs/dbraw/zinc/33/27/75/1091332775.db2.gz JBBAZNLMZYAMSK-UHFFFAOYSA-N -1 1 373.396 4.440 20 0 FIADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(Cl)c1 ZINC000195083226 1091451589 /nfs/dbraw/zinc/45/15/89/1091451589.db2.gz RDRNHHGSDDWZHA-SNVBAGLBSA-N -1 1 363.870 4.141 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cccs1 ZINC000511737813 1091580910 /nfs/dbraw/zinc/58/09/10/1091580910.db2.gz MFYGHSPRUUQVAG-UHFFFAOYSA-N -1 1 373.434 4.231 20 0 FIADMM CC(C)Cc1nnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)s1 ZINC000047440903 1091726949 /nfs/dbraw/zinc/72/69/49/1091726949.db2.gz CGHCRRYWSGKFQB-UHFFFAOYSA-N -1 1 362.842 4.297 20 0 FIADMM Cc1ccc(C2(C[N-]S(=O)(=O)c3sccc3Cl)CCC2)cc1C ZINC001211708246 1091987747 /nfs/dbraw/zinc/98/77/47/1091987747.db2.gz REDVWZCTAUINHD-UHFFFAOYSA-N -1 1 369.939 4.419 20 0 FIADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000432617177 1092005509 /nfs/dbraw/zinc/00/55/09/1092005509.db2.gz MJMOOXMODNQASK-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM CCCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000500460445 1092099762 /nfs/dbraw/zinc/09/97/62/1092099762.db2.gz JSAUGAJDRJDYIY-HNNXBMFYSA-N -1 1 360.479 4.252 20 0 FIADMM CCOC(=O)c1cnc(C(C)=Cc2csc(Cl)c2Cl)[n-]c1=O ZINC000432695744 1092122616 /nfs/dbraw/zinc/12/26/16/1092122616.db2.gz NAINEKPOBFNUMH-DAXSKMNVSA-N -1 1 359.234 4.288 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1C ZINC000521025659 1092433339 /nfs/dbraw/zinc/43/33/39/1092433339.db2.gz UATOVXRJLHZXRY-UHFFFAOYSA-N -1 1 372.412 4.189 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000521040775 1092451954 /nfs/dbraw/zinc/45/19/54/1092451954.db2.gz CZPWLVLHIDENIW-SSDOTTSWSA-N -1 1 362.760 4.218 20 0 FIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1Cl ZINC000442233778 1092526081 /nfs/dbraw/zinc/52/60/81/1092526081.db2.gz MZALMTGQDKZGPQ-UHFFFAOYSA-N -1 1 352.189 4.381 20 0 FIADMM CC(C)CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000442292189 1092552376 /nfs/dbraw/zinc/55/23/76/1092552376.db2.gz LRZWDVNNMVDECT-UHFFFAOYSA-N -1 1 372.490 4.252 20 0 FIADMM COCCc1ccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2)cc1 ZINC000521181110 1092559113 /nfs/dbraw/zinc/55/91/13/1092559113.db2.gz YDSQMRYGANNCTO-UHFFFAOYSA-N -1 1 364.401 4.021 20 0 FIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)cc1 ZINC000521327264 1092634370 /nfs/dbraw/zinc/63/43/70/1092634370.db2.gz AMTAYEOWFPWYJJ-UHFFFAOYSA-N -1 1 374.462 4.226 20 0 FIADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](c3ccccc3F)C2(C)C)c1 ZINC001648946999 1092638902 /nfs/dbraw/zinc/63/89/02/1092638902.db2.gz WGLLUGOFXIPEIE-KRWDZBQOSA-N -1 1 355.409 4.061 20 0 FIADMM Cc1ccccc1C1(C(=O)NCc2n[n-]c(=S)n2C(C)C)CCCCC1 ZINC000067072190 1092813723 /nfs/dbraw/zinc/81/37/23/1092813723.db2.gz CPHPKIVVOJBDIN-UHFFFAOYSA-N -1 1 372.538 4.348 20 0 FIADMM COc1cccc(N(CC(C)C)C(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442945171 1092878902 /nfs/dbraw/zinc/87/89/02/1092878902.db2.gz PWHCEGXEIKVSOD-UHFFFAOYSA-N -1 1 363.841 4.366 20 0 FIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(CCC(C)C)cc2)c(=O)[n-]1 ZINC000521721957 1092890748 /nfs/dbraw/zinc/89/07/48/1092890748.db2.gz WAQOSDOFUCZLEQ-UHFFFAOYSA-N -1 1 373.522 4.372 20 0 FIADMM COc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cc(Cl)c1[O-] ZINC000443044836 1092916491 /nfs/dbraw/zinc/91/64/91/1092916491.db2.gz GZDJXDBGCGBSIF-SECBINFHSA-N -1 1 367.779 4.092 20 0 FIADMM COc1cc(-c2nc(Cc3ccccc3Cl)no2)cc(Cl)c1[O-] ZINC000443080764 1092940312 /nfs/dbraw/zinc/94/03/12/1092940312.db2.gz SIAUUAYKXVENLB-UHFFFAOYSA-N -1 1 351.189 4.348 20 0 FIADMM COc1cc(C(=O)NC2(Cc3cccc(F)c3)CCC2)cc(Cl)c1[O-] ZINC000443212428 1092985624 /nfs/dbraw/zinc/98/56/24/1092985624.db2.gz HNPNFNKTCQOIKZ-UHFFFAOYSA-N -1 1 363.816 4.089 20 0 FIADMM CCOc1cc(-c2nc(-c3ccc4cnn(C)c4c3)no2)cc(Cl)c1[O-] ZINC000443200298 1092988159 /nfs/dbraw/zinc/98/81/59/1092988159.db2.gz GGKWADFCRRHJLZ-UHFFFAOYSA-N -1 1 370.796 4.048 20 0 FIADMM COc1cc(-c2nc(CCCc3ccsc3)no2)cc(Cl)c1[O-] ZINC000443209662 1092992756 /nfs/dbraw/zinc/99/27/56/1092992756.db2.gz GKFZTAMQWNBIOS-UHFFFAOYSA-N -1 1 350.827 4.341 20 0 FIADMM COc1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)cc(Cl)c1[O-] ZINC000443279064 1093031466 /nfs/dbraw/zinc/03/14/66/1093031466.db2.gz XMPKBHNGFKSZOM-MRVPVSSYSA-N -1 1 358.196 4.338 20 0 FIADMM COc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc(Cl)c1[O-] ZINC000443281853 1093032977 /nfs/dbraw/zinc/03/29/77/1093032977.db2.gz HGZHDYHCPSHMTQ-ZFWWWQNUSA-N -1 1 359.853 4.148 20 0 FIADMM COc1cc(C(=O)Nc2ccc(Br)c(F)c2)cc(Cl)c1[O-] ZINC000443303671 1093041651 /nfs/dbraw/zinc/04/16/51/1093041651.db2.gz SGPRUTPWRBIILF-UHFFFAOYSA-N -1 1 374.593 4.208 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1C ZINC000522099920 1093088825 /nfs/dbraw/zinc/08/88/25/1093088825.db2.gz YBDVMRYNKZHWGJ-UHFFFAOYSA-N -1 1 368.458 4.257 20 0 FIADMM CCc1c(C)[n-]n(-c2ncnc3scc(-c4ccc(OC)cc4)c32)c1=O ZINC000614186013 1093092976 /nfs/dbraw/zinc/09/29/76/1093092976.db2.gz UGZLTCIFFHEJMU-CQSZACIVSA-N -1 1 366.446 4.116 20 0 FIADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000759991205 1093096435 /nfs/dbraw/zinc/09/64/35/1093096435.db2.gz LFEKMJFJKIECGG-UHFFFAOYSA-N -1 1 350.773 4.095 20 0 FIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1 ZINC000443403964 1093107570 /nfs/dbraw/zinc/10/75/70/1093107570.db2.gz CXRRGPHPKMJPJR-UHFFFAOYSA-N -1 1 359.369 4.213 20 0 FIADMM O=C(c1c([O-])cccc1Cl)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000729538139 1093237183 /nfs/dbraw/zinc/23/71/83/1093237183.db2.gz PEDIROUGDXOMLH-UHFFFAOYSA-N -1 1 351.780 4.344 20 0 FIADMM Cc1ccc(S(=O)(=O)Nc2cccc3ccsc32)c(C)c1C(=O)[O-] ZINC000512761955 1093273587 /nfs/dbraw/zinc/27/35/87/1093273587.db2.gz LKDWENWHXUTLDW-UHFFFAOYSA-N -1 1 361.444 4.017 20 0 FIADMM C[C@H](c1ccco1)N(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000094038391 1093279271 /nfs/dbraw/zinc/27/92/71/1093279271.db2.gz IARDQJMXEKXSJF-SNVBAGLBSA-N -1 1 350.212 4.114 20 0 FIADMM O=C(Nc1sccc1C(=O)Nc1ccc([O-])c(Cl)c1)c1ccco1 ZINC000780992325 1093720095 /nfs/dbraw/zinc/72/00/95/1093720095.db2.gz ZCXDKLUPJBPFML-UHFFFAOYSA-N -1 1 362.794 4.205 20 0 FIADMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000474422597 1093756460 /nfs/dbraw/zinc/75/64/60/1093756460.db2.gz TWKBRPSTUCVLLU-UHFFFAOYSA-N -1 1 373.400 4.028 20 0 FIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(Cl)c(F)c1Cl ZINC000473502448 1093824622 /nfs/dbraw/zinc/82/46/22/1093824622.db2.gz JPCBHFFZWXGWGK-UHFFFAOYSA-N -1 1 356.152 4.212 20 0 FIADMM COCCSc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000728976931 1093910819 /nfs/dbraw/zinc/91/08/19/1093910819.db2.gz IKUUVRJFSDCTGK-LBPRGKRZSA-N -1 1 365.882 4.275 20 0 FIADMM COC(=O)c1[n-]c(=NCc2cc(-c3ccc(OC)cc3)cs2)sc1C ZINC000433756422 1094081473 /nfs/dbraw/zinc/08/14/73/1094081473.db2.gz CCXHXBIVYSHBQT-UHFFFAOYSA-N -1 1 374.487 4.009 20 0 FIADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2cccc(Br)c2F)c1Cl ZINC001227111371 1094383148 /nfs/dbraw/zinc/38/31/48/1094383148.db2.gz KOYSILNBLOKQOF-ZETCQYMHSA-N -1 1 361.598 4.186 20 0 FIADMM O=S(=O)([N-]c1ccc2scnc2c1)c1cc(Cl)cc(Cl)c1 ZINC000116294664 1094438635 /nfs/dbraw/zinc/43/86/35/1094438635.db2.gz CQWUDBMLSOOZSH-UHFFFAOYSA-N -1 1 359.259 4.404 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CCOC4(CCC4)C3)n2)cc(Cl)c1[O-] ZINC000896206028 1094456586 /nfs/dbraw/zinc/45/65/86/1094456586.db2.gz XDCZMYJPOIWBEU-LLVKDONJSA-N -1 1 364.829 4.311 20 0 FIADMM Cc1nc(-c2ccc(N[C@H]3CCSC4(CCC4)C3)nc2)[n-]c(=O)c1C ZINC000896254066 1094490314 /nfs/dbraw/zinc/49/03/14/1094490314.db2.gz NIHPYIAXEHFMLJ-HNNXBMFYSA-N -1 1 356.495 4.091 20 0 FIADMM Cc1ccc(-c2cc(=NC(=O)c3cccc([C@@H]4CCCOC4)c3)[nH][n-]2)s1 ZINC000501846434 1094962052 /nfs/dbraw/zinc/96/20/52/1094962052.db2.gz LRFRKPMGGQFFPM-MRXNPFEDSA-N -1 1 367.474 4.015 20 0 FIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c(C)n1 ZINC000414460333 1094991505 /nfs/dbraw/zinc/99/15/05/1094991505.db2.gz QCUJSMZSKSYCFO-UHFFFAOYSA-N -1 1 358.385 4.135 20 0 FIADMM CC(C)(C)OC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccccc1 ZINC000513738669 1095242809 /nfs/dbraw/zinc/24/28/09/1095242809.db2.gz XKFQIYGTWJUIFJ-MRXNPFEDSA-N -1 1 367.474 4.122 20 0 FIADMM CCc1cc2c(COC(=O)c3cc4ccccc4o3)cc(=O)oc2cc1[O-] ZINC000004332457 1095422666 /nfs/dbraw/zinc/42/26/66/1095422666.db2.gz GOFRCQAYXTXYCG-UHFFFAOYSA-N -1 1 364.353 4.164 20 0 FIADMM O=c1cc(C(F)(F)F)nc(SCc2cc(-c3ccc(F)cc3)no2)[n-]1 ZINC000522828073 1095753241 /nfs/dbraw/zinc/75/32/41/1095753241.db2.gz QFVHCAGHRKLSFE-UHFFFAOYSA-N -1 1 371.315 4.287 20 0 FIADMM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000502932632 1095960618 /nfs/dbraw/zinc/96/06/18/1095960618.db2.gz YBRCYFXZRKUYDX-GJZGRUSLSA-N -1 1 360.479 4.108 20 0 FIADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000414687210 1096463884 /nfs/dbraw/zinc/46/38/84/1096463884.db2.gz WOLJYCJXLWSFDW-HNNXBMFYSA-N -1 1 353.340 4.405 20 0 FIADMM Cc1nc(-c2ccc(N3CC[C@@H](C4CCCCC4)C3)nc2)[n-]c(=O)c1C ZINC000664329054 1096502467 /nfs/dbraw/zinc/50/24/67/1096502467.db2.gz UVFHDUULMMEOOS-GOSISDBHSA-N -1 1 352.482 4.268 20 0 FIADMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccccc2)cc1 ZINC000504400323 1096765472 /nfs/dbraw/zinc/76/54/72/1096765472.db2.gz XXTPLHLOTCZTHH-UHFFFAOYSA-N -1 1 374.366 4.407 20 0 FIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2O1 ZINC000515619720 1098770191 /nfs/dbraw/zinc/77/01/91/1098770191.db2.gz JQXTWNPGGUHCGU-UHFFFAOYSA-N -1 1 355.415 4.148 20 0 FIADMM CCc1cc(=O)[n-]c(SCCCc2ccccc2Br)n1 ZINC000436188643 1098795098 /nfs/dbraw/zinc/79/50/98/1098795098.db2.gz NXVOSMITYGQSHA-UHFFFAOYSA-N -1 1 353.285 4.232 20 0 FIADMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)n1 ZINC000436208782 1098815801 /nfs/dbraw/zinc/81/58/01/1098815801.db2.gz JWYPYOJBCISETD-CYBMUJFWSA-N -1 1 373.261 4.058 20 0 FIADMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000533203080 1098862747 /nfs/dbraw/zinc/86/27/47/1098862747.db2.gz KEBYQFVLYQTICN-GFCCVEGCSA-N -1 1 350.871 4.150 20 0 FIADMM O=C([O-])C[C@H]1CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000533203080 1098862762 /nfs/dbraw/zinc/86/27/62/1098862762.db2.gz KEBYQFVLYQTICN-GFCCVEGCSA-N -1 1 350.871 4.150 20 0 FIADMM CC(=O)[C@H](Cc1ccc(Cl)cc1F)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000436259016 1098873814 /nfs/dbraw/zinc/87/38/14/1098873814.db2.gz IZPWEBIWEIEKKE-HNNXBMFYSA-N -1 1 366.845 4.145 20 0 FIADMM COc1cccc(C2(F)CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c1 ZINC000436482627 1099043147 /nfs/dbraw/zinc/04/31/47/1099043147.db2.gz APNXDOBJTOSLOJ-UHFFFAOYSA-N -1 1 363.816 4.155 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(N2CCc3ccccc32)CC1 ZINC000436493301 1099056428 /nfs/dbraw/zinc/05/64/28/1099056428.db2.gz XYEFSIMMPSRGTP-UHFFFAOYSA-N -1 1 372.468 4.213 20 0 FIADMM COc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)c([O-])c1 ZINC000436523642 1099080300 /nfs/dbraw/zinc/08/03/00/1099080300.db2.gz BVKHADWKCLCXJR-UHFFFAOYSA-N -1 1 362.429 4.308 20 0 FIADMM CCCn1c(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)nc2ccccc21 ZINC000436530733 1099086198 /nfs/dbraw/zinc/08/61/98/1099086198.db2.gz FOMDFCPSYYZDFY-UHFFFAOYSA-N -1 1 373.840 4.456 20 0 FIADMM Cc1nc(COc2ccc(NC(=O)c3ccc(C(C)C)cc3[O-])cc2)no1 ZINC000436553287 1099099933 /nfs/dbraw/zinc/09/99/33/1099099933.db2.gz COJNRONLONJYST-UHFFFAOYSA-N -1 1 367.405 4.038 20 0 FIADMM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436538147 1099104516 /nfs/dbraw/zinc/10/45/16/1099104516.db2.gz JLAOUFVSQHTQHC-UHFFFAOYSA-N -1 1 370.836 4.405 20 0 FIADMM CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c([O-])c1 ZINC000436544884 1099110162 /nfs/dbraw/zinc/11/01/62/1099110162.db2.gz ABCNOUNRRBRTAP-XMMPIXPASA-N -1 1 365.882 4.300 20 0 FIADMM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436561695 1099115030 /nfs/dbraw/zinc/11/50/30/1099115030.db2.gz HHFUEVCFZRPIFK-UHFFFAOYSA-N -1 1 363.417 4.328 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000436571982 1099121975 /nfs/dbraw/zinc/12/19/75/1099121975.db2.gz YCIRAQYSLRZRTP-AWEZNQCLSA-N -1 1 366.642 4.395 20 0 FIADMM O=C(C[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436591290 1099123894 /nfs/dbraw/zinc/12/38/94/1099123894.db2.gz VVGHGNLRXWSMRT-LJQANCHMSA-N -1 1 359.425 4.423 20 0 FIADMM Cc1nc(CNC(=O)c2cc(F)ccc2[O-])oc1-c1ccc(Cl)cc1 ZINC000436581790 1099130773 /nfs/dbraw/zinc/13/07/73/1099130773.db2.gz BYRQDNDYLWIXEU-UHFFFAOYSA-N -1 1 360.772 4.078 20 0 FIADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436583649 1099132169 /nfs/dbraw/zinc/13/21/69/1099132169.db2.gz DXLAZTZBFNBRMA-SWLSCSKDSA-N -1 1 360.251 4.173 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000436611519 1099146295 /nfs/dbraw/zinc/14/62/95/1099146295.db2.gz WLPGGBOTHJVPHT-GOSISDBHSA-N -1 1 371.440 4.200 20 0 FIADMM O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436675131 1099205320 /nfs/dbraw/zinc/20/53/20/1099205320.db2.gz URDPIIWGJQHMJO-KRWDZBQOSA-N -1 1 371.845 4.196 20 0 FIADMM O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)c1ccc([O-])cc1 ZINC000436677098 1099210560 /nfs/dbraw/zinc/21/05/60/1099210560.db2.gz AUMODWGYROFNQO-UHFFFAOYSA-N -1 1 351.333 4.145 20 0 FIADMM COc1ccc(-c2nc(-c3cccc(Br)c3C)no2)c([O-])c1 ZINC000436684843 1099219052 /nfs/dbraw/zinc/21/90/52/1099219052.db2.gz HOLOYOIEAVTKFE-UHFFFAOYSA-N -1 1 361.195 4.189 20 0 FIADMM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)C1 ZINC000436691528 1099224157 /nfs/dbraw/zinc/22/41/57/1099224157.db2.gz YRQHCDZNDYEZSB-MGPUTAFESA-N -1 1 367.445 4.309 20 0 FIADMM O=C(c1ccc(Cl)cc1[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000436716783 1099248673 /nfs/dbraw/zinc/24/86/73/1099248673.db2.gz CMFDELGGDGGXTA-UHFFFAOYSA-N -1 1 366.848 4.326 20 0 FIADMM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436721618 1099253472 /nfs/dbraw/zinc/25/34/72/1099253472.db2.gz JBCWPRHVXFIOQX-UHFFFAOYSA-N -1 1 363.417 4.248 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCSC2(CCCCC2)C1 ZINC000436749241 1099284242 /nfs/dbraw/zinc/28/42/42/1099284242.db2.gz ALVZADSQLLDZOW-UHFFFAOYSA-N -1 1 359.413 4.303 20 0 FIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccoc1C1CC1 ZINC000436777210 1099297427 /nfs/dbraw/zinc/29/74/27/1099297427.db2.gz YFEZOGIWHICOAL-UHFFFAOYSA-N -1 1 368.433 4.177 20 0 FIADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc2ccccc2cc1[O-] ZINC000436778075 1099299245 /nfs/dbraw/zinc/29/92/45/1099299245.db2.gz FESFMZYOSXDNPO-QFIPXVFZSA-N -1 1 354.409 4.460 20 0 FIADMM CCOc1cc(-c2noc([C@@H]3CC=CCC3)n2)cc(Br)c1[O-] ZINC000436779463 1099301583 /nfs/dbraw/zinc/30/15/83/1099301583.db2.gz WYUWXYWKCCJQGB-SNVBAGLBSA-N -1 1 365.227 4.427 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000436764878 1099304825 /nfs/dbraw/zinc/30/48/25/1099304825.db2.gz URQUJMAMIABKIT-GFCCVEGCSA-N -1 1 353.315 4.180 20 0 FIADMM CC(C)c1nc(/C=C\c2cc(Cl)c(O)cc2Cl)ncc1C(=O)[O-] ZINC000436768733 1099310236 /nfs/dbraw/zinc/31/02/36/1099310236.db2.gz FXAXATNGKHJUJI-ARJAWSKDSA-N -1 1 353.205 4.481 20 0 FIADMM CCOc1cc(-c2noc(C3(CC)CC3)n2)cc(Br)c1[O-] ZINC000436770523 1099312637 /nfs/dbraw/zinc/31/26/37/1099312637.db2.gz OXFWTAZBKKVWDF-UHFFFAOYSA-N -1 1 353.216 4.045 20 0 FIADMM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc([O-])cc1F ZINC000436788720 1099320550 /nfs/dbraw/zinc/32/05/50/1099320550.db2.gz AUFYYOIGKJNIKD-NSHDSACASA-N -1 1 355.331 4.253 20 0 FIADMM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436790662 1099322165 /nfs/dbraw/zinc/32/21/65/1099322165.db2.gz HKAGKYHMUHQOMR-NSHDSACASA-N -1 1 355.331 4.253 20 0 FIADMM Cn1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(-c2ccccc2)n1 ZINC000436794188 1099325911 /nfs/dbraw/zinc/32/59/11/1099325911.db2.gz UJKUJYUMQLFNAB-UHFFFAOYSA-N -1 1 361.323 4.064 20 0 FIADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)c1ccc(C(F)(F)F)cc1 ZINC000436818813 1099330847 /nfs/dbraw/zinc/33/08/47/1099330847.db2.gz WKVLSGISPIERMQ-UHFFFAOYSA-N -1 1 355.331 4.258 20 0 FIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000436818512 1099330890 /nfs/dbraw/zinc/33/08/90/1099330890.db2.gz VLYDEFDRIZGYOK-OAHLLOKOSA-N -1 1 353.368 4.453 20 0 FIADMM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436805037 1099333030 /nfs/dbraw/zinc/33/30/30/1099333030.db2.gz CRFQBCRTVNMSCV-UHFFFAOYSA-N -1 1 354.233 4.240 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000436808510 1099335801 /nfs/dbraw/zinc/33/58/01/1099335801.db2.gz PIDSVQPCRVMMKN-OAHLLOKOSA-N -1 1 367.392 4.341 20 0 FIADMM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc(Cl)ccc1[O-] ZINC000436813979 1099338657 /nfs/dbraw/zinc/33/86/57/1099338657.db2.gz GULJRJMTXUSHOK-UHFFFAOYSA-N -1 1 372.852 4.104 20 0 FIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(C2CC2)c2ccccc21 ZINC000436835465 1099346221 /nfs/dbraw/zinc/34/62/21/1099346221.db2.gz DXXGVUIVYWMBND-UHFFFAOYSA-N -1 1 362.351 4.040 20 0 FIADMM O=C(c1ccc(Br)cc1[O-])N1CCCC2(CCCCC2)C1 ZINC000436864861 1099375100 /nfs/dbraw/zinc/37/51/00/1099375100.db2.gz QAIBMJWFRXXLOJ-UHFFFAOYSA-N -1 1 352.272 4.341 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cncnc3-c3ccccc3)n2)c(Cl)c1 ZINC000436871207 1099382037 /nfs/dbraw/zinc/38/20/37/1099382037.db2.gz JDEKOTJLYBNDCE-UHFFFAOYSA-N -1 1 350.765 4.220 20 0 FIADMM CCOc1cc(-c2noc(Cc3ccsc3C)n2)cc(Cl)c1[O-] ZINC000436869658 1099382182 /nfs/dbraw/zinc/38/21/82/1099382182.db2.gz NPLSFCHYIQZXMW-UHFFFAOYSA-N -1 1 350.827 4.455 20 0 FIADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1F ZINC000436874427 1099388119 /nfs/dbraw/zinc/38/81/19/1099388119.db2.gz QIPHVOJEIHNVJJ-ZJUUUORDSA-N -1 1 350.271 4.270 20 0 FIADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(OCC2CC2)c1 ZINC000436881278 1099397091 /nfs/dbraw/zinc/39/70/91/1099397091.db2.gz WXAYPDAPVIHLOL-UHFFFAOYSA-N -1 1 356.353 4.046 20 0 FIADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3cccc4ccccc43)no2)c1 ZINC000436893151 1099411313 /nfs/dbraw/zinc/41/13/13/1099411313.db2.gz MUDOUQCCXIWWRJ-UHFFFAOYSA-N -1 1 359.385 4.145 20 0 FIADMM O=C([O-])[C@@H]1CCN(Cc2cc(Br)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000629374456 1099417189 /nfs/dbraw/zinc/41/71/89/1099417189.db2.gz SIOJFAOFNDSZDM-UMVBOHGHSA-N -1 1 372.690 4.178 20 0 FIADMM COc1cc(NC(=O)c2ccc3ccccc3c2[O-])c(OC)c(C)c1OC ZINC000436930834 1099427667 /nfs/dbraw/zinc/42/76/67/1099427667.db2.gz IXYHHNMQKGCBHK-UHFFFAOYSA-N -1 1 367.401 4.132 20 0 FIADMM COCCOc1cccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c1 ZINC000436914673 1099431406 /nfs/dbraw/zinc/43/14/06/1099431406.db2.gz MFLWPGKJJUBEQL-UHFFFAOYSA-N -1 1 362.385 4.288 20 0 FIADMM COc1ccc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)c([O-])c1 ZINC000436917385 1099432880 /nfs/dbraw/zinc/43/28/80/1099432880.db2.gz DLZVHEXGWIEAGP-UHFFFAOYSA-N -1 1 361.357 4.305 20 0 FIADMM COc1ccc(-c2nc(Cc3cccc4ccc(OC)cc43)no2)c([O-])c1 ZINC000436937976 1099451357 /nfs/dbraw/zinc/45/13/57/1099451357.db2.gz RRKWQTKTFUXCHR-UHFFFAOYSA-N -1 1 362.385 4.203 20 0 FIADMM COc1cc(Br)ccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436945867 1099456685 /nfs/dbraw/zinc/45/66/85/1099456685.db2.gz QRJLLXHHZYJAFR-UHFFFAOYSA-N -1 1 365.158 4.019 20 0 FIADMM CN(C)c1nc2cc(-c3noc(-c4ccc5ccccc5c4[O-])n3)ccc2o1 ZINC000436953953 1099472183 /nfs/dbraw/zinc/47/21/83/1099472183.db2.gz SXOSUJRALJDNLN-UHFFFAOYSA-N -1 1 372.384 4.470 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 ZINC000029997816 1099503101 /nfs/dbraw/zinc/50/31/01/1099503101.db2.gz SMDLZRQWLKAMJJ-DOTOQJQBSA-N -1 1 372.538 4.343 20 0 FIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000516609775 1099653561 /nfs/dbraw/zinc/65/35/61/1099653561.db2.gz BQGMECZPXPCLNQ-UHFFFAOYSA-N -1 1 369.870 4.074 20 0 FIADMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCCC(=O)[O-])cc1Cl ZINC000455617831 1099883929 /nfs/dbraw/zinc/88/39/29/1099883929.db2.gz DWGBXTNFIPIDCI-IBGZPJMESA-N -1 1 374.868 4.125 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc(Cl)c1[O-] ZINC000437421175 1099907483 /nfs/dbraw/zinc/90/74/83/1099907483.db2.gz VBIIWSOVKSDAKF-AULYBMBSSA-N -1 1 363.816 4.259 20 0 FIADMM COC[C@H](C)Nc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000437618229 1100048156 /nfs/dbraw/zinc/04/81/56/1100048156.db2.gz DNRIEJQGHNHWGW-AWEZNQCLSA-N -1 1 350.418 4.245 20 0 FIADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)c2)o1 ZINC000517518679 1100448923 /nfs/dbraw/zinc/44/89/23/1100448923.db2.gz RJXALOQCUYYPJQ-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CC1=CCCN(C(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)C1 ZINC000438514474 1100705406 /nfs/dbraw/zinc/70/54/06/1100705406.db2.gz KMFXOTVTVHIDSL-UHFFFAOYSA-N -1 1 360.413 4.113 20 0 FIADMM O=C1c2ccccc2N[C@H](c2cc(F)c([O-])c(F)c2)N1Cc1ccccc1 ZINC000426084693 1100803275 /nfs/dbraw/zinc/80/32/75/1100803275.db2.gz MGLCDYSSCCIWRB-FQEVSTJZSA-N -1 1 366.367 4.437 20 0 FIADMM O=c1cc(C(F)F)nc(SCc2ccn(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000518011541 1100862654 /nfs/dbraw/zinc/86/26/54/1100862654.db2.gz PLBNPMVJASAETB-UHFFFAOYSA-N -1 1 368.796 4.251 20 0 FIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1cccc(Cl)c1 ZINC000438723478 1100885809 /nfs/dbraw/zinc/88/58/09/1100885809.db2.gz LMWHHHVJDYLSNM-UHFFFAOYSA-N -1 1 360.822 4.328 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc(C)c1F ZINC000438771838 1100907381 /nfs/dbraw/zinc/90/73/81/1100907381.db2.gz CNWUQAKCSVLERH-UHFFFAOYSA-N -1 1 361.360 4.348 20 0 FIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000438771609 1100907610 /nfs/dbraw/zinc/90/76/10/1100907610.db2.gz NPAZZGOKRCPTTB-UHFFFAOYSA-N -1 1 369.417 4.166 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c2)cs1 ZINC000438806212 1100930072 /nfs/dbraw/zinc/93/00/72/1100930072.db2.gz NTNFGOPKHOFVOB-UHFFFAOYSA-N -1 1 362.451 4.367 20 0 FIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1C ZINC000438806842 1100930965 /nfs/dbraw/zinc/93/09/65/1100930965.db2.gz BUOZEHDCIBSABF-UHFFFAOYSA-N -1 1 358.232 4.006 20 0 FIADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1 ZINC000438807364 1100931737 /nfs/dbraw/zinc/93/17/37/1100931737.db2.gz DDYRCAKZWSMSAF-UHFFFAOYSA-N -1 1 354.269 4.175 20 0 FIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000438810281 1100932612 /nfs/dbraw/zinc/93/26/12/1100932612.db2.gz NBJXGFMVMWZAAG-UHFFFAOYSA-N -1 1 354.269 4.121 20 0 FIADMM COc1cccc(-c2nsc(NC([O-])=C(c3ccccc3)C(C)C)n2)c1 ZINC000439191621 1101234048 /nfs/dbraw/zinc/23/40/48/1101234048.db2.gz MGSKEPNDLWEITE-KRWDZBQOSA-N -1 1 367.474 4.014 20 0 FIADMM O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)[N-]OCC(F)F ZINC000760147191 1101408716 /nfs/dbraw/zinc/40/87/16/1101408716.db2.gz NDNNKXNJMBXYRF-UHFFFAOYSA-N -1 1 362.351 4.220 20 0 FIADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)no1 ZINC000506591775 1101487539 /nfs/dbraw/zinc/48/75/39/1101487539.db2.gz CYAFVHVGBGRGRD-UHFFFAOYSA-N -1 1 363.266 4.221 20 0 FIADMM CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000016601668 1101895589 /nfs/dbraw/zinc/89/55/89/1101895589.db2.gz RJJZDUABOXGXIM-MRXNPFEDSA-N -1 1 374.506 4.023 20 0 FIADMM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263117500 1101898858 /nfs/dbraw/zinc/89/88/58/1101898858.db2.gz LRMZTBMLBAGAMC-QWHCGFSZSA-N -1 1 363.845 4.028 20 0 FIADMM CCN(CC)[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)c1ccccc1 ZINC000519171905 1101984954 /nfs/dbraw/zinc/98/49/54/1101984954.db2.gz NIUCCCPAWVQNPI-QGZVFWFLSA-N -1 1 350.821 4.206 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)ccc1F ZINC000519228768 1102024140 /nfs/dbraw/zinc/02/41/40/1102024140.db2.gz YMGQEAWJLMTXPS-UHFFFAOYSA-N -1 1 358.394 4.122 20 0 FIADMM COc1ccc2c(c1)CCCC2=NNC(=O)c1cc2ccccc2cc1[O-] ZINC000007949846 1102038496 /nfs/dbraw/zinc/03/84/96/1102038496.db2.gz UNOAMBDRROLFOE-UHFFFAOYSA-N -1 1 360.413 4.024 20 0 FIADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@H]1c1ccccc1 ZINC000440196347 1102087963 /nfs/dbraw/zinc/08/79/63/1102087963.db2.gz REAINWFTXLJACB-CZUORRHYSA-N -1 1 374.278 4.421 20 0 FIADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@H]1c1ccccc1 ZINC000440196349 1102088395 /nfs/dbraw/zinc/08/83/95/1102088395.db2.gz REAINWFTXLJACB-XJKSGUPXSA-N -1 1 374.278 4.421 20 0 FIADMM COc1cccc(CNCc2cccc(C(=O)[O-])c2)c1OC1CCCC1 ZINC000263429765 1102138686 /nfs/dbraw/zinc/13/86/86/1102138686.db2.gz RTFYDYBLECQLIP-UHFFFAOYSA-N -1 1 355.434 4.005 20 0 FIADMM Cc1ccc(NC(=O)[C@H]2CCC2(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000666410951 1102190815 /nfs/dbraw/zinc/19/08/15/1102190815.db2.gz KUHAMLDUWUBPLI-QGZVFWFLSA-N -1 1 372.490 4.171 20 0 FIADMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506818267 1102192047 /nfs/dbraw/zinc/19/20/47/1102192047.db2.gz HTEISNQDNIKYMQ-UHFFFAOYSA-N -1 1 360.504 4.385 20 0 FIADMM CCc1ccc(-c2ccc(CN[C@H](Cc3ccc(O)cc3)C(=O)[O-])o2)cc1 ZINC000426653371 1102255619 /nfs/dbraw/zinc/25/56/19/1102255619.db2.gz AYTWBZJORHADNU-HXUWFJFHSA-N -1 1 365.429 4.000 20 0 FIADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)n1 ZINC000120956928 1102289326 /nfs/dbraw/zinc/28/93/26/1102289326.db2.gz CWKALMNKRUZNTM-UHFFFAOYSA-N -1 1 359.842 4.024 20 0 FIADMM CCc1nc(CNCc2ccc(-c3ccc(F)cc3)s2)ccc1C(=O)[O-] ZINC000426658953 1102433985 /nfs/dbraw/zinc/43/39/85/1102433985.db2.gz ACEQYGISWRABHX-UHFFFAOYSA-N -1 1 370.449 4.500 20 0 FIADMM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1cc(Cl)sc1Cl ZINC000101575771 1102565359 /nfs/dbraw/zinc/56/53/59/1102565359.db2.gz HKFIQMZLYBPORF-UHFFFAOYSA-N -1 1 361.275 4.015 20 0 FIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(c2nc3ccccc3o2)CC1 ZINC000036623831 1102584024 /nfs/dbraw/zinc/58/40/24/1102584024.db2.gz JRXIWYQJRLXQFQ-UHFFFAOYSA-N -1 1 356.809 4.207 20 0 FIADMM Cc1ccc(Cl)c(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000120652772 1102596337 /nfs/dbraw/zinc/59/63/37/1102596337.db2.gz AJLQNSNKSKLHHQ-UHFFFAOYSA-N -1 1 372.852 4.481 20 0 FIADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1cccc(Cl)c1 ZINC000111667679 1102698205 /nfs/dbraw/zinc/69/82/05/1102698205.db2.gz KJEOBOWXQBGOLX-UHFFFAOYSA-N -1 1 362.216 4.445 20 0 FIADMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000112039837 1102760991 /nfs/dbraw/zinc/76/09/91/1102760991.db2.gz TWKRWCGLUYSYFH-UHFFFAOYSA-N -1 1 360.479 4.089 20 0 FIADMM C=Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC001211943217 1102880139 /nfs/dbraw/zinc/88/01/39/1102880139.db2.gz DDEDMGUFVBTIJI-UHFFFAOYSA-N -1 1 374.264 4.297 20 0 FIADMM O=C([O-])C[C@H](NCc1ccc(Br)cc1Cl)c1ccsc1 ZINC000426683835 1102918402 /nfs/dbraw/zinc/91/84/02/1102918402.db2.gz VRLTZWGRVAATPJ-ZDUSSCGKSA-N -1 1 374.687 4.470 20 0 FIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1c(Cl)ccc(F)c1F ZINC000551113624 1102920230 /nfs/dbraw/zinc/92/02/30/1102920230.db2.gz DBMHODBNAIVPGT-UHFFFAOYSA-N -1 1 374.142 4.351 20 0 FIADMM Cn1cnc2cc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc21 ZINC000506863506 1102925963 /nfs/dbraw/zinc/92/59/63/1102925963.db2.gz WZZHXGXFYBENMN-UHFFFAOYSA-N -1 1 363.442 4.041 20 0 FIADMM O=C([O-])C[C@@H](NCc1cc(Cl)ccc1Br)c1ccsc1 ZINC000426698971 1102928205 /nfs/dbraw/zinc/92/82/05/1102928205.db2.gz DGXUBOIBUFTTCK-CYBMUJFWSA-N -1 1 374.687 4.470 20 0 FIADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc2oc3ccccc3c2c1 ZINC000536629508 1102938841 /nfs/dbraw/zinc/93/88/41/1102938841.db2.gz VSJRILUDFYAJAB-UHFFFAOYSA-N -1 1 365.410 4.417 20 0 FIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000614844334 1102969754 /nfs/dbraw/zinc/96/97/54/1102969754.db2.gz PMZFKZZELDTRES-UHFFFAOYSA-N -1 1 371.380 4.107 20 0 FIADMM C[C@@H](C(=O)[O-])[C@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000426758343 1102973555 /nfs/dbraw/zinc/97/35/55/1102973555.db2.gz RYMQAXOMDFETQE-KDOFPFPSSA-N -1 1 352.459 4.362 20 0 FIADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Oc3ccccc3)c2)nc1 ZINC000426770148 1102976918 /nfs/dbraw/zinc/97/69/18/1102976918.db2.gz PMRQJIPNVRGPAS-NRFANRHFSA-N -1 1 362.429 4.488 20 0 FIADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1ccc(Br)cc1 ZINC000426797177 1102995900 /nfs/dbraw/zinc/99/59/00/1102995900.db2.gz FMLXDCGAROMRFO-CQSZACIVSA-N -1 1 372.621 4.157 20 0 FIADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(C)(C)C)cc2)c1OC ZINC000426803087 1103000874 /nfs/dbraw/zinc/00/08/74/1103000874.db2.gz KEWFBGNYLQSSKS-SFHVURJKSA-N -1 1 371.477 4.307 20 0 FIADMM CC(C)Cc1ncc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426829460 1103004250 /nfs/dbraw/zinc/00/42/50/1103004250.db2.gz PJMHLFIDFJQUHI-OAHLLOKOSA-N -1 1 352.887 4.301 20 0 FIADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc3ccccc3c2)c1OC ZINC000426814669 1103010053 /nfs/dbraw/zinc/01/00/53/1103010053.db2.gz AEPOQXPWIOFYAR-LJQANCHMSA-N -1 1 365.429 4.163 20 0 FIADMM CCc1ccc([C@@H](NCc2ccc(Br)cc2F)C(=O)[O-])cc1 ZINC000426828719 1103029710 /nfs/dbraw/zinc/02/97/10/1103029710.db2.gz ZOXDKBGALIRJBV-MRXNPFEDSA-N -1 1 366.230 4.066 20 0 FIADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000532712096 1103041346 /nfs/dbraw/zinc/04/13/46/1103041346.db2.gz QGGFSIWBICKPAK-INIZCTEOSA-N -1 1 360.498 4.059 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)cc3cccnc32)c(F)c1F ZINC000551290114 1103049758 /nfs/dbraw/zinc/04/97/58/1103049758.db2.gz ZYFVZAXPPHJPBK-UHFFFAOYSA-N -1 1 362.282 4.246 20 0 FIADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(Cl)c1 ZINC000477109151 1103129890 /nfs/dbraw/zinc/12/98/90/1103129890.db2.gz SGXFYOCLCXUROX-UHFFFAOYSA-N -1 1 355.825 4.352 20 0 FIADMM CN(Cc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000030685164 1103134269 /nfs/dbraw/zinc/13/42/69/1103134269.db2.gz NMGHCKALGNAJFR-UHFFFAOYSA-N -1 1 354.631 4.080 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1occc1-c1ccc(F)cc1 ZINC000477126617 1103141143 /nfs/dbraw/zinc/14/11/43/1103141143.db2.gz OPKPLKPIVXCEDQ-UHFFFAOYSA-N -1 1 363.348 4.434 20 0 FIADMM CC(C)[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1 ZINC000477124868 1103148691 /nfs/dbraw/zinc/14/86/91/1103148691.db2.gz LMCGPSUWBYYJNB-IBGZPJMESA-N -1 1 353.397 4.300 20 0 FIADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccc(Br)c([O-])c1 ZINC000477486672 1103542587 /nfs/dbraw/zinc/54/25/87/1103542587.db2.gz RCVSDRIJUFBEPH-HNNXBMFYSA-N -1 1 364.214 4.101 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3ccnc4ccccc34)n2)c(Cl)c1 ZINC000445453364 1103891931 /nfs/dbraw/zinc/89/19/31/1103891931.db2.gz VQORQSBFCUAEKC-UHFFFAOYSA-N -1 1 351.793 4.429 20 0 FIADMM CC(C)(C)c1noc2ncc(-c3nc(-c4ccc([O-])cc4F)no3)cc21 ZINC000445459911 1103934375 /nfs/dbraw/zinc/93/43/75/1103934375.db2.gz JRUIIMJKDPMLAT-UHFFFAOYSA-N -1 1 354.341 4.082 20 0 FIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)c2)n1 ZINC000467931170 1103962133 /nfs/dbraw/zinc/96/21/33/1103962133.db2.gz WDPPJUUFUORFGX-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1 ZINC000440818585 1103964890 /nfs/dbraw/zinc/96/48/90/1103964890.db2.gz AHJURGXSXVQHMI-UHFFFAOYSA-N -1 1 366.442 4.434 20 0 FIADMM O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1ccc2c(c1)CCO2 ZINC000440827113 1103986971 /nfs/dbraw/zinc/98/69/71/1103986971.db2.gz PNNSCRIGVKTUDT-UHFFFAOYSA-N -1 1 366.442 4.166 20 0 FIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000461117870 1104116179 /nfs/dbraw/zinc/11/61/79/1104116179.db2.gz BFTGASHESWHHIN-UHFFFAOYSA-N -1 1 367.898 4.412 20 0 FIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000188406789 1104339768 /nfs/dbraw/zinc/33/97/68/1104339768.db2.gz NIJJETQIKFGHGG-UHFFFAOYSA-N -1 1 372.471 4.397 20 0 FIADMM O=C(/C=C\C1CCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000843766608 1104354320 /nfs/dbraw/zinc/35/43/20/1104354320.db2.gz SARNWIGDEQVTGH-YPKPFQOOSA-N -1 1 370.474 4.172 20 0 FIADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2Br)C1 ZINC000126816552 1104948270 /nfs/dbraw/zinc/94/82/70/1104948270.db2.gz IGIUWQMLXRAYKN-OAHLLOKOSA-N -1 1 360.679 4.179 20 0 FIADMM CCCCOCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000614602341 1105021382 /nfs/dbraw/zinc/02/13/82/1105021382.db2.gz ONBCGLIAJFHAJF-UHFFFAOYSA-N -1 1 374.717 4.132 20 0 FIADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC(C)C ZINC000427606991 1105041015 /nfs/dbraw/zinc/04/10/15/1105041015.db2.gz PWCYUHXJHUOXTG-UHFFFAOYSA-N -1 1 357.454 4.136 20 0 FIADMM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000614622546 1105048021 /nfs/dbraw/zinc/04/80/21/1105048021.db2.gz UIIOCJLOUIFIRT-CBAPKCEASA-N -1 1 366.291 4.250 20 0 FIADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000193274746 1105071746 /nfs/dbraw/zinc/07/17/46/1105071746.db2.gz XRFAMRGIOBVMEE-WDEREUQCSA-N -1 1 365.779 4.295 20 0 FIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)cc1Cl ZINC000391653338 1105087032 /nfs/dbraw/zinc/08/70/32/1105087032.db2.gz LTVYSOXSYDMHME-UHFFFAOYSA-N -1 1 367.854 4.132 20 0 FIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000032097883 1105139496 /nfs/dbraw/zinc/13/94/96/1105139496.db2.gz DXTRZBGITGJDNL-UHFFFAOYSA-N -1 1 372.494 4.012 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000032097954 1105141727 /nfs/dbraw/zinc/14/17/27/1105141727.db2.gz RDCXZGLSYASEGF-CQSZACIVSA-N -1 1 372.494 4.327 20 0 FIADMM CCCc1nc(C)c([N-]S(=O)(=O)CCc2cccc(Cl)c2)s1 ZINC000507892346 1105258357 /nfs/dbraw/zinc/25/83/57/1105258357.db2.gz VYLILGGWXQRLKX-UHFFFAOYSA-N -1 1 358.916 4.042 20 0 FIADMM C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ncccc2[O-])C1 ZINC000427751545 1105267230 /nfs/dbraw/zinc/26/72/30/1105267230.db2.gz FTRICNDKXGTMMM-BXUZGUMPSA-N -1 1 350.340 4.029 20 0 FIADMM Cc1ccccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444355057 1106899559 /nfs/dbraw/zinc/89/95/59/1106899559.db2.gz WYFGDTAWXNZFRB-UHFFFAOYSA-N -1 1 352.434 4.015 20 0 FIADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1Cl ZINC000444358205 1106906954 /nfs/dbraw/zinc/90/69/54/1106906954.db2.gz AWMFYLMPXRFODE-UHFFFAOYSA-N -1 1 372.852 4.360 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(NCC(F)(F)F)c1 ZINC000451090455 1106922102 /nfs/dbraw/zinc/92/21/02/1106922102.db2.gz OTFHTKBXBIUPHG-UHFFFAOYSA-N -1 1 358.385 4.024 20 0 FIADMM Cc1nc(-c2ccc(NCCc3cccc(Cl)c3)nc2)[n-]c(=O)c1C ZINC000301330334 1106993524 /nfs/dbraw/zinc/99/35/24/1106993524.db2.gz ATPYCLHFIDTNDJ-UHFFFAOYSA-N -1 1 354.841 4.169 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@H]3CCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301348417 1106999818 /nfs/dbraw/zinc/99/98/18/1106999818.db2.gz HZATWTMKSGTLDD-FQEVSTJZSA-N -1 1 374.488 4.463 20 0 FIADMM COc1cc(Cl)ccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301360288 1107004600 /nfs/dbraw/zinc/00/46/00/1107004600.db2.gz AFXAUWOCBZKCQF-UHFFFAOYSA-N -1 1 370.840 4.135 20 0 FIADMM Cc1nc(-c2ccc(NCCc3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000301370134 1107006743 /nfs/dbraw/zinc/00/67/43/1107006743.db2.gz SEJHWCRCVGWCAF-UHFFFAOYSA-N -1 1 354.841 4.169 20 0 FIADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1Cl ZINC000451308958 1107016598 /nfs/dbraw/zinc/01/65/98/1107016598.db2.gz WESYRDWUDZEEJC-DTWKUNHWSA-N -1 1 361.838 4.049 20 0 FIADMM Cc1nc(-c2ccc(NCCCc3cccc(F)c3)nc2)[n-]c(=O)c1C ZINC000301402944 1107018220 /nfs/dbraw/zinc/01/82/20/1107018220.db2.gz RMPAGZNLDSKFSU-UHFFFAOYSA-N -1 1 352.413 4.045 20 0 FIADMM Cc1nc(-c2ccc(NCc3cccc(OC(F)F)c3)nc2)[n-]c(=O)c1C ZINC000301437667 1107030834 /nfs/dbraw/zinc/03/08/34/1107030834.db2.gz XDDLLUWXXBBASP-UHFFFAOYSA-N -1 1 372.375 4.075 20 0 FIADMM COc1ccc([C@H]([N-]c2nc(C(C)C)no2)c2ccccc2OC)cc1 ZINC000301757648 1107139461 /nfs/dbraw/zinc/13/94/61/1107139461.db2.gz ATGLQZDJGXBXPY-SFHVURJKSA-N -1 1 353.422 4.412 20 0 FIADMM FC(F)(F)c1cccc(-n2cc([N-]c3nc(C4CC4)ns3)cn2)c1 ZINC000301953877 1107226780 /nfs/dbraw/zinc/22/67/80/1107226780.db2.gz JVLDJQWLEZOGIX-UHFFFAOYSA-N -1 1 351.357 4.364 20 0 FIADMM Cc1nc(-c2ccc(NCc3cc(-c4ccccc4)on3)nc2)[n-]c(=O)c1C ZINC000302675659 1107405896 /nfs/dbraw/zinc/40/58/96/1107405896.db2.gz PSFHELJZDMQUHQ-UHFFFAOYSA-N -1 1 373.416 4.128 20 0 FIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2n1 ZINC000531008192 1107461154 /nfs/dbraw/zinc/46/11/54/1107461154.db2.gz NAHIIZBGJZGLAU-UHFFFAOYSA-N -1 1 350.802 4.137 20 0 FIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2s1 ZINC000614742262 1107572503 /nfs/dbraw/zinc/57/25/03/1107572503.db2.gz ALTSKGODGWPTGY-UHFFFAOYSA-N -1 1 352.868 4.367 20 0 FIADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4ccncc43)cc(Cl)c2O1 ZINC000531527099 1107952023 /nfs/dbraw/zinc/95/20/23/1107952023.db2.gz IMKQFPSZOYMYQR-LLVKDONJSA-N -1 1 374.849 4.012 20 0 FIADMM CCC[C@@H](OC)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000453020897 1108090561 /nfs/dbraw/zinc/09/05/61/1108090561.db2.gz MDBXBWPXTITJMQ-LLVKDONJSA-N -1 1 371.231 4.091 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c(C)c1 ZINC000523337477 1108118051 /nfs/dbraw/zinc/11/80/51/1108118051.db2.gz OQVIVKMMUFYDKS-UHFFFAOYSA-N -1 1 374.462 4.459 20 0 FIADMM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(F)cc1[O-] ZINC000531756367 1108122752 /nfs/dbraw/zinc/12/27/52/1108122752.db2.gz VCJDDTLPSYCCOX-UHFFFAOYSA-N -1 1 362.307 4.036 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1C(F)(F)F ZINC000531781389 1108172373 /nfs/dbraw/zinc/17/23/73/1108172373.db2.gz KFPBGLBZWVQHIW-UHFFFAOYSA-N -1 1 366.364 4.363 20 0 FIADMM O=S(=O)([N-]c1ccc2nc(C3CCC3)[nH]c2c1)c1cc2ccccc2o1 ZINC000531816630 1108203346 /nfs/dbraw/zinc/20/33/46/1108203346.db2.gz JEXCVKMGUMJOON-UHFFFAOYSA-N -1 1 367.430 4.377 20 0 FIADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]NC(=O)c1ccc(Cl)cc1 ZINC000029631538 1108370258 /nfs/dbraw/zinc/37/02/58/1108370258.db2.gz PFSKCAOHZQRCKC-UHFFFAOYSA-N -1 1 363.200 4.123 20 0 FIADMM COc1cc(-c2noc(/C=C3\CC[C@H](C)C3)n2)cc(Br)c1[O-] ZINC000445392675 1108707659 /nfs/dbraw/zinc/70/76/59/1108707659.db2.gz NNEBFLYZBYOFEL-CMWXKVOJSA-N -1 1 365.227 4.417 20 0 FIADMM CCOc1cc(-c2noc(/C=C\c3cnc(C)s3)n2)cc(Cl)c1[O-] ZINC000445402174 1108728489 /nfs/dbraw/zinc/72/84/89/1108728489.db2.gz NCQMCIBMWYZAHG-PLNGDYQASA-N -1 1 363.826 4.430 20 0 FIADMM CCOc1cc(-c2noc(CN3CCc4ccccc43)n2)cc(Cl)c1[O-] ZINC000445408542 1108733840 /nfs/dbraw/zinc/73/38/40/1108733840.db2.gz HSJDBDHYJQOQRV-UHFFFAOYSA-N -1 1 371.824 4.057 20 0 FIADMM CCOc1cc(-c2noc(/C=C/c3ccc(OC)cn3)n2)cc(Cl)c1[O-] ZINC000445409745 1108734926 /nfs/dbraw/zinc/73/49/26/1108734926.db2.gz CSRSDINGHZTVAD-FNORWQNLSA-N -1 1 373.796 4.068 20 0 FIADMM CCOc1cc(-c2noc(COCCc3ccccc3)n2)cc(Cl)c1[O-] ZINC000445423690 1108736286 /nfs/dbraw/zinc/73/62/86/1108736286.db2.gz ZGDHUFADRIBHSC-UHFFFAOYSA-N -1 1 374.824 4.254 20 0 FIADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(C)c1OCc1cccnc1 ZINC000532266527 1108737454 /nfs/dbraw/zinc/73/74/54/1108737454.db2.gz IUGJRPJPOUCGSY-UHFFFAOYSA-N -1 1 366.392 4.374 20 0 FIADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000532267450 1108737520 /nfs/dbraw/zinc/73/75/20/1108737520.db2.gz XDCBQWXUTSZXNT-QWHCGFSZSA-N -1 1 350.187 4.036 20 0 FIADMM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(F)cc1[O-] ZINC000532267122 1108737539 /nfs/dbraw/zinc/73/75/39/1108737539.db2.gz DEMVTAKKWRTJEZ-UHFFFAOYSA-N -1 1 362.813 4.489 20 0 FIADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1NC(=O)NC(C)(C)C ZINC000532266482 1108737769 /nfs/dbraw/zinc/73/77/69/1108737769.db2.gz FETAUNQUVYOUPC-UHFFFAOYSA-N -1 1 359.401 4.012 20 0 FIADMM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1[O-] ZINC000532267336 1108738053 /nfs/dbraw/zinc/73/80/53/1108738053.db2.gz WYIFGOJFOXYDED-UHFFFAOYSA-N -1 1 351.377 4.276 20 0 FIADMM [O-]c1c(-c2nc(-c3cnn(-c4ccccc4)c3)no2)ccc2ccccc21 ZINC000445437239 1108760830 /nfs/dbraw/zinc/76/08/30/1108760830.db2.gz ZQEJTAQBXJYYDL-UHFFFAOYSA-N -1 1 354.369 4.448 20 0 FIADMM CCN(CC)C(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445444152 1108769151 /nfs/dbraw/zinc/76/91/51/1108769151.db2.gz FJLNCJVRJDGDOI-UHFFFAOYSA-N -1 1 371.824 4.245 20 0 FIADMM Cc1ccc(-c2nc(Cc3nc(-c4ccc([O-])cc4F)no3)cs2)o1 ZINC000445465803 1108776875 /nfs/dbraw/zinc/77/68/75/1108776875.db2.gz VXOJXVBKPTXABO-UHFFFAOYSA-N -1 1 357.366 4.197 20 0 FIADMM Cn1cc(CCc2nc(-c3ccc([O-])cc3Cl)no2)c2ccccc21 ZINC000445452014 1108785158 /nfs/dbraw/zinc/78/51/58/1108785158.db2.gz NNVCSMNRJUFZAP-UHFFFAOYSA-N -1 1 353.809 4.373 20 0 FIADMM [O-]c1ccc(-c2noc(-c3cc(F)c(F)cc3Br)n2)c(F)c1 ZINC000445458282 1108792386 /nfs/dbraw/zinc/79/23/86/1108792386.db2.gz ROYXKUPTLBOJDB-UHFFFAOYSA-N -1 1 371.112 4.289 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(OCc4ccncc4)cc3)n2)c(F)c1 ZINC000445461279 1108794054 /nfs/dbraw/zinc/79/40/54/1108794054.db2.gz GALMYQIFERLTRD-UHFFFAOYSA-N -1 1 363.348 4.222 20 0 FIADMM [O-]c1ccc(-c2noc(-c3ccc(Br)cc3F)n2)cc1F ZINC000445478217 1108797714 /nfs/dbraw/zinc/79/77/14/1108797714.db2.gz GBLTUTCEURLNLN-UHFFFAOYSA-N -1 1 353.122 4.150 20 0 FIADMM [O-]c1ccc(-c2noc(CCc3cc(Br)cs3)n2)cc1F ZINC000445480272 1108800608 /nfs/dbraw/zinc/80/06/08/1108800608.db2.gz LWJVERGZMKVSNB-UHFFFAOYSA-N -1 1 369.215 4.191 20 0 FIADMM Cc1noc2nc(C(C)C)cc(-c3nc(-c4ccc([O-])c(F)c4)no3)c12 ZINC000445481096 1108800877 /nfs/dbraw/zinc/80/08/77/1108800877.db2.gz OHBCRZNYRLGLFR-UHFFFAOYSA-N -1 1 354.341 4.216 20 0 FIADMM COc1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc(Cl)c1[O-] ZINC000546593356 1108916061 /nfs/dbraw/zinc/91/60/61/1108916061.db2.gz FCJYPXPSRAIIIX-CYBMUJFWSA-N -1 1 367.829 4.160 20 0 FIADMM CCOc1cccc2[nH]cc(Cc3noc(-c4cc(F)ccc4[O-])n3)c21 ZINC000445774159 1108992198 /nfs/dbraw/zinc/99/21/98/1108992198.db2.gz PYVOFTZADQEAHU-UHFFFAOYSA-N -1 1 353.353 4.052 20 0 FIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)(C)C ZINC000524526779 1109054559 /nfs/dbraw/zinc/05/45/59/1109054559.db2.gz YKWGTSOFPCGYNI-CQSZACIVSA-N -1 1 360.479 4.108 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)c1 ZINC000524703612 1109125164 /nfs/dbraw/zinc/12/51/64/1109125164.db2.gz LADLJSAUNXDNTB-UHFFFAOYSA-N -1 1 374.849 4.134 20 0 FIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C ZINC000525156943 1109286723 /nfs/dbraw/zinc/28/67/23/1109286723.db2.gz HDCZHJNSUUJLCW-UHFFFAOYSA-N -1 1 373.396 4.299 20 0 FIADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897349878 1109333689 /nfs/dbraw/zinc/33/36/89/1109333689.db2.gz WGSCCOONVXFIMO-CMPLNLGQSA-N -1 1 353.340 4.054 20 0 FIADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1C ZINC000447278368 1109493864 /nfs/dbraw/zinc/49/38/64/1109493864.db2.gz NEJSXGQRYQIUEN-UHFFFAOYSA-N -1 1 372.446 4.076 20 0 FIADMM COc1cc(C(=O)NCCSCc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000525953787 1109562807 /nfs/dbraw/zinc/56/28/07/1109562807.db2.gz AUPXLZUNSVRXQC-UHFFFAOYSA-N -1 1 365.882 4.026 20 0 FIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447778535 1109641240 /nfs/dbraw/zinc/64/12/40/1109641240.db2.gz QWITTZWRHSYLCE-UHFFFAOYSA-N -1 1 365.760 4.190 20 0 FIADMM CC1(C)[C@H](c2cccc(F)c2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000528776663 1110110303 /nfs/dbraw/zinc/11/03/03/1110110303.db2.gz VNUXZLLPQBUMID-AWEZNQCLSA-N -1 1 357.454 4.304 20 0 FIADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000461197202 1111112232 /nfs/dbraw/zinc/11/22/32/1111112232.db2.gz MUEIQHZLCPKFHT-UHFFFAOYSA-N -1 1 365.669 4.292 20 0 FIADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538477934 1111150982 /nfs/dbraw/zinc/15/09/82/1111150982.db2.gz AVOFYUMSVQXTCC-IRXDYDNUSA-N -1 1 364.367 4.214 20 0 FIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(c2ccc(F)cc2F)CCC1 ZINC000538599259 1111206893 /nfs/dbraw/zinc/20/68/93/1111206893.db2.gz TURWSNXBSXFHHO-UHFFFAOYSA-N -1 1 369.371 4.121 20 0 FIADMM COc1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000552022679 1111229908 /nfs/dbraw/zinc/22/99/08/1111229908.db2.gz DEXMFSGEIDBIBH-UHFFFAOYSA-N -1 1 356.603 4.069 20 0 FIADMM COCCCCN(Cc1ccccc1)C(=O)c1ncc2ccccc2c1[O-] ZINC000667154776 1111317105 /nfs/dbraw/zinc/31/71/05/1111317105.db2.gz PSAALNNKLREAJQ-UHFFFAOYSA-N -1 1 364.445 4.009 20 0 FIADMM COc1ccc(/C=C\c2ccc(Oc3nc4c(cnn4C)c(=O)[n-]3)cc2)cc1 ZINC000461883246 1111397159 /nfs/dbraw/zinc/39/71/59/1111397159.db2.gz AAICQLOQQJZYAS-ARJAWSKDSA-N -1 1 374.400 4.040 20 0 FIADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1 ZINC000539239606 1111489666 /nfs/dbraw/zinc/48/96/66/1111489666.db2.gz PWYCDJXBALISLU-UHFFFAOYSA-N -1 1 369.870 4.074 20 0 FIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(C)cc1C ZINC000478696633 1111861940 /nfs/dbraw/zinc/86/19/40/1111861940.db2.gz FPMJTHNAYWSSSP-UHFFFAOYSA-N -1 1 372.446 4.076 20 0 FIADMM COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000552960598 1111868967 /nfs/dbraw/zinc/86/89/67/1111868967.db2.gz WGXBRGFSBSVXRS-JFIYKMOQSA-N -1 1 371.864 4.463 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1OC(F)F ZINC000479511860 1112055095 /nfs/dbraw/zinc/05/50/95/1112055095.db2.gz GXKLRJUBDHTGTD-UHFFFAOYSA-N -1 1 370.402 4.007 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1Cl ZINC000064938267 1112628929 /nfs/dbraw/zinc/62/89/29/1112628929.db2.gz KNCKKHOBZYSHPX-UHFFFAOYSA-N -1 1 365.882 4.376 20 0 FIADMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000030530485 1112643747 /nfs/dbraw/zinc/64/37/47/1112643747.db2.gz BVMUCIIGDFJGIO-UHFFFAOYSA-N -1 1 374.390 4.019 20 0 FIADMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000481343627 1112907001 /nfs/dbraw/zinc/90/70/01/1112907001.db2.gz RDMSHOJQFXDTOH-JGVFFNPUSA-N -1 1 360.353 4.007 20 0 FIADMM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000481584315 1112989746 /nfs/dbraw/zinc/98/97/46/1112989746.db2.gz KDHGKGNGCJFYEU-CQSZACIVSA-N -1 1 372.428 4.148 20 0 FIADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000481939211 1113139883 /nfs/dbraw/zinc/13/98/83/1113139883.db2.gz AABGWSDLDNOBAO-UHFFFAOYSA-N -1 1 369.490 4.027 20 0 FIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)ccc1F ZINC000481961917 1113141605 /nfs/dbraw/zinc/14/16/05/1113141605.db2.gz GCWUXLMBKMKBLI-UHFFFAOYSA-N -1 1 353.390 4.005 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000482546691 1113294026 /nfs/dbraw/zinc/29/40/26/1113294026.db2.gz BNJXIUYYORVQMM-LLVKDONJSA-N -1 1 364.264 4.291 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000482574496 1113300933 /nfs/dbraw/zinc/30/09/33/1113300933.db2.gz HMWRXOVKSJRAEH-CQSZACIVSA-N -1 1 364.264 4.119 20 0 FIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000160129067 1113302273 /nfs/dbraw/zinc/30/22/73/1113302273.db2.gz BUDLTJGMRVAJQK-UHFFFAOYSA-N -1 1 370.430 4.044 20 0 FIADMM CCOc1c(F)cccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482607290 1113307968 /nfs/dbraw/zinc/30/79/68/1113307968.db2.gz TUUBUFUATVGDGY-UHFFFAOYSA-N -1 1 368.202 4.253 20 0 FIADMM CCCc1ncc(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000482641244 1113317718 /nfs/dbraw/zinc/31/77/18/1113317718.db2.gz QCGUFWFTTOQHHK-UHFFFAOYSA-N -1 1 355.257 4.124 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc(C(C)C)n2)c1 ZINC000482642072 1113318638 /nfs/dbraw/zinc/31/86/38/1113318638.db2.gz RMFMQRGTWVGTNA-UHFFFAOYSA-N -1 1 355.257 4.295 20 0 FIADMM C[C@@H]1CCCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486501655 1113583240 /nfs/dbraw/zinc/58/32/40/1113583240.db2.gz UMMDRUPQUWSEKE-LLVKDONJSA-N -1 1 363.255 4.108 20 0 FIADMM CCN(CC)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000908684648 1113681547 /nfs/dbraw/zinc/68/15/47/1113681547.db2.gz MMJHCVXWDOZMMI-QGZVFWFLSA-N -1 1 360.841 4.060 20 0 FIADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(Br)c([O-])c1 ZINC000488891435 1114011610 /nfs/dbraw/zinc/01/16/10/1114011610.db2.gz OMUOCIVENIJQKT-UHFFFAOYSA-N -1 1 372.621 4.219 20 0 FIADMM C[C@@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000488916988 1114015078 /nfs/dbraw/zinc/01/50/78/1114015078.db2.gz MZGBETIMYUIIFR-AWEZNQCLSA-N -1 1 369.490 4.304 20 0 FIADMM C[C@@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000488916988 1114015081 /nfs/dbraw/zinc/01/50/81/1114015081.db2.gz MZGBETIMYUIIFR-AWEZNQCLSA-N -1 1 369.490 4.304 20 0 FIADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000489751404 1114168952 /nfs/dbraw/zinc/16/89/52/1114168952.db2.gz HRGATVTWBCHRNS-UHFFFAOYSA-N -1 1 357.479 4.371 20 0 FIADMM CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Br)c1[O-] ZINC000054681072 1114207478 /nfs/dbraw/zinc/20/74/78/1114207478.db2.gz QWGUZLLVFAGFJJ-INIZCTEOSA-N -1 1 361.239 4.131 20 0 FIADMM COc1cc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc(Cl)c1[O-] ZINC000490266271 1114251234 /nfs/dbraw/zinc/25/12/34/1114251234.db2.gz BCQCRWWPXFKAIZ-UHFFFAOYSA-N -1 1 363.845 4.036 20 0 FIADMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc(F)c(F)cc1F ZINC000151262616 1114327635 /nfs/dbraw/zinc/32/76/35/1114327635.db2.gz FKGKRWHPRSLFTM-UHFFFAOYSA-N -1 1 353.300 4.014 20 0 FIADMM C[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@H](c2ccco2)C1 ZINC000491079500 1114366410 /nfs/dbraw/zinc/36/64/10/1114366410.db2.gz ZREPNRBMWKRXLG-FZMZJTMJSA-N -1 1 364.239 4.361 20 0 FIADMM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000032069887 1114613498 /nfs/dbraw/zinc/61/34/98/1114613498.db2.gz FZDVIYSCMLDSQU-IUOVYFEOSA-N -1 1 373.840 4.210 20 0 FIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1-c1ncco1 ZINC000780397673 1114995030 /nfs/dbraw/zinc/99/50/30/1114995030.db2.gz GNYWQKQNBPAJDX-UHFFFAOYSA-N -1 1 364.373 4.388 20 0 FIADMM CC[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000590960193 1114997086 /nfs/dbraw/zinc/99/70/86/1114997086.db2.gz BJOSPQRXEZPLPB-KRWDZBQOSA-N -1 1 365.473 4.397 20 0 FIADMM O=S(=O)([N-][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1F ZINC001212166162 1115007342 /nfs/dbraw/zinc/00/73/42/1115007342.db2.gz PPRKLUVGVNZAIY-JSGCOSHPSA-N -1 1 371.836 4.233 20 0 FIADMM S=c1[n-]nc(Cc2cccs2)n1CN(Cc1cccs1)C1CC1 ZINC000058205534 1115138977 /nfs/dbraw/zinc/13/89/77/1115138977.db2.gz XVUUIXLDKZYNCY-UHFFFAOYSA-N -1 1 362.549 4.277 20 0 FIADMM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cc(Cl)sc1Cl ZINC000592820119 1115266766 /nfs/dbraw/zinc/26/67/66/1115266766.db2.gz JCZPPGJXDHRDAD-SNVBAGLBSA-N -1 1 366.266 4.160 20 0 FIADMM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000574131528 1115291521 /nfs/dbraw/zinc/29/15/21/1115291521.db2.gz TWCIHUCZVNYAQB-UHFFFAOYSA-N -1 1 357.472 4.049 20 0 FIADMM Cc1cc(Br)c(CN[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000669472626 1115292526 /nfs/dbraw/zinc/29/25/26/1115292526.db2.gz FTYPBLLHUPAFJT-JTQLQIEISA-N -1 1 360.298 4.186 20 0 FIADMM CCOc1cc(-c2noc(-c3noc4c3CCCC4)n2)cc(Cl)c1[O-] ZINC000574714201 1115441291 /nfs/dbraw/zinc/44/12/91/1115441291.db2.gz GIIAWTUQGXPZQJ-UHFFFAOYSA-N -1 1 361.785 4.028 20 0 FIADMM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000574825588 1115499140 /nfs/dbraw/zinc/49/91/40/1115499140.db2.gz GOKCVXXWTRBULV-HNNXBMFYSA-N -1 1 362.429 4.296 20 0 FIADMM COc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1Br ZINC000060340064 1115620318 /nfs/dbraw/zinc/62/03/18/1115620318.db2.gz VKGSWTAPMFTWLT-MDWZMJQESA-N -1 1 359.219 4.376 20 0 FIADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc2c(c1)CCC2 ZINC000599124367 1115791397 /nfs/dbraw/zinc/79/13/97/1115791397.db2.gz IBQBAYXYAYZUEY-SECBINFHSA-N -1 1 368.380 4.053 20 0 FIADMM CO[C@@H](C)c1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000171055757 1115825282 /nfs/dbraw/zinc/82/52/82/1115825282.db2.gz ROYJQLZBASXMSH-NSHDSACASA-N -1 1 374.491 4.015 20 0 FIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000062140074 1115893281 /nfs/dbraw/zinc/89/32/81/1115893281.db2.gz FANZBUBAZTUSTE-UHFFFAOYSA-N -1 1 359.447 4.011 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C2CCCC2)cc1 ZINC000172139218 1115919858 /nfs/dbraw/zinc/91/98/58/1115919858.db2.gz VLOJTULMXGWFHI-CQSZACIVSA-N -1 1 358.511 4.001 20 0 FIADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000606317210 1115934018 /nfs/dbraw/zinc/93/40/18/1115934018.db2.gz JPWXNWMQSNKJKG-SNVBAGLBSA-N -1 1 364.214 4.053 20 0 FIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000172412383 1115940754 /nfs/dbraw/zinc/94/07/54/1115940754.db2.gz NGCORIFXZYJPEH-GJZGRUSLSA-N -1 1 372.538 4.247 20 0 FIADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccccc1SC1CCCC1 ZINC000607103836 1115998416 /nfs/dbraw/zinc/99/84/16/1115998416.db2.gz NMDPAGAZUPFICG-AWEZNQCLSA-N -1 1 355.525 4.032 20 0 FIADMM CC[C@H]1CCCCCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000173257384 1116046602 /nfs/dbraw/zinc/04/66/02/1116046602.db2.gz RTVJENTZZPERQQ-ZDUSSCGKSA-N -1 1 364.540 4.240 20 0 FIADMM CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCC1 ZINC000607622051 1116049737 /nfs/dbraw/zinc/04/97/37/1116049737.db2.gz JIGBUULDRQABCC-UHFFFAOYSA-N -1 1 358.463 4.006 20 0 FIADMM C[C@@H]1CN(Cn2c(=S)[n-]nc2Cc2cccs2)[C@@H]1c1ccccc1 ZINC000173454741 1116068662 /nfs/dbraw/zinc/06/86/62/1116068662.db2.gz GPNHVWPGJBEGCV-DYVFJYSZSA-N -1 1 356.520 4.243 20 0 FIADMM Cn1c(C(=O)Nc2c([O-])cccc2F)cc2cc(C(F)(F)F)ccc21 ZINC000608366226 1116102403 /nfs/dbraw/zinc/10/24/03/1116102403.db2.gz PQJKAYRHGXJXMG-UHFFFAOYSA-N -1 1 352.287 4.294 20 0 FIADMM Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608365963 1116102717 /nfs/dbraw/zinc/10/27/17/1116102717.db2.gz MKZTYHNMKWNCAT-UHFFFAOYSA-N -1 1 371.437 4.065 20 0 FIADMM CCC(CC)[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000534165179 1116165601 /nfs/dbraw/zinc/16/56/01/1116165601.db2.gz FDZAKMKJUFXVFC-HNNXBMFYSA-N -1 1 374.506 4.498 20 0 FIADMM O=S(=O)(Cc1ccccc1)[N-]c1ccc(SCc2ccccc2)cn1 ZINC000534242416 1116175063 /nfs/dbraw/zinc/17/50/63/1116175063.db2.gz BHHCQLHXNBNKKN-UHFFFAOYSA-N -1 1 370.499 4.316 20 0 FIADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1-c1ccccc1 ZINC000535024316 1116262728 /nfs/dbraw/zinc/26/27/28/1116262728.db2.gz CRFKIQDRDJIVHI-UHFFFAOYSA-N -1 1 361.854 4.148 20 0 FIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1CC ZINC000535235545 1116285732 /nfs/dbraw/zinc/28/57/32/1116285732.db2.gz XAXKYOFZGRMLBX-UHFFFAOYSA-N -1 1 356.447 4.267 20 0 FIADMM Cc1nc(SCc2cccc(C(=O)Nc3ccccc3)c2)[n-]c(=O)c1C ZINC000539617230 1116353538 /nfs/dbraw/zinc/35/35/38/1116353538.db2.gz PVWQYWYCJDSNPB-UHFFFAOYSA-N -1 1 365.458 4.344 20 0 FIADMM Cc1nc(-c2ccc(N3CCC[C@@H](Cc4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000462822134 1117795794 /nfs/dbraw/zinc/79/57/94/1117795794.db2.gz SNGTUMJQDWCOQE-IBGZPJMESA-N -1 1 374.488 4.320 20 0 FIADMM Cc1nc(-c2ccc(N3C[C@H](c4ccccc4)C[C@H]3C)nc2)[n-]c(=O)c1C ZINC000462848162 1117818598 /nfs/dbraw/zinc/81/85/98/1117818598.db2.gz NDUJEMWCOPIAPA-AUUYWEPGSA-N -1 1 360.461 4.243 20 0 FIADMM Cc1c([N-]S(=O)(=O)c2cccc3ccccc32)n[nH]c1-c1ccccc1 ZINC000540208898 1117943975 /nfs/dbraw/zinc/94/39/75/1117943975.db2.gz YDLXKHJFSHQTFB-UHFFFAOYSA-N -1 1 363.442 4.339 20 0 FIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(-c2ccccc2Cl)on1 ZINC000542374793 1118918364 /nfs/dbraw/zinc/91/83/64/1118918364.db2.gz WOZOKDYKBUEUBP-UHFFFAOYSA-N -1 1 371.828 4.344 20 0 FIADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000303509300 1118952640 /nfs/dbraw/zinc/95/26/40/1118952640.db2.gz BALBFJLIIGNGKR-KRWDZBQOSA-N -1 1 350.256 4.117 20 0 FIADMM CCC(C)(CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000303584682 1118968026 /nfs/dbraw/zinc/96/80/26/1118968026.db2.gz NIMRDKKNCKSLHO-UHFFFAOYSA-N -1 1 374.506 4.104 20 0 FIADMM Cc1ccc(NC(=O)CCC2CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000175989590 1119248891 /nfs/dbraw/zinc/24/88/91/1119248891.db2.gz RFGJWGFPPSKIMG-UHFFFAOYSA-N -1 1 372.490 4.315 20 0 FIADMM O=S(=O)([N-]c1ccccc1F)c1ccc(Br)cc1Cl ZINC000006316097 1119440503 /nfs/dbraw/zinc/44/05/03/1119440503.db2.gz DPUVMPPYCJEZQF-UHFFFAOYSA-N -1 1 364.623 4.042 20 0 FIADMM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000493335951 1119442994 /nfs/dbraw/zinc/44/29/94/1119442994.db2.gz MHOPFENMILWMRU-SECBINFHSA-N -1 1 370.305 4.279 20 0 FIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)n2cnc3ccccc32)c1 ZINC000182908613 1119562518 /nfs/dbraw/zinc/56/25/18/1119562518.db2.gz GLXUFBXEMXGXCQ-LLVKDONJSA-N -1 1 374.238 4.013 20 0 FIADMM CC(C)C[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000184499471 1119611656 /nfs/dbraw/zinc/61/16/56/1119611656.db2.gz ZGQMLDQYUSXFJN-OAHLLOKOSA-N -1 1 360.479 4.108 20 0 FIADMM Cc1ccc(NC(=O)[C@@H](C)CC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000184499556 1119611876 /nfs/dbraw/zinc/61/18/76/1119611876.db2.gz XMYIACRMORPWKE-INIZCTEOSA-N -1 1 374.506 4.417 20 0 FIADMM Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000185766390 1119685676 /nfs/dbraw/zinc/68/56/76/1119685676.db2.gz HAAHGUFXGHXCSO-ZWKOTPCHSA-N -1 1 372.490 4.026 20 0 FIADMM Cc1[n-]c(S(=O)(=O)[C@@H](C)c2ncc(C(C)(C)C)o2)nc1-c1ccccc1 ZINC000186841675 1119752555 /nfs/dbraw/zinc/75/25/55/1119752555.db2.gz OQAYNXAHVMWUPF-ZDUSSCGKSA-N -1 1 373.478 4.206 20 0 FIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000187052833 1119763215 /nfs/dbraw/zinc/76/32/15/1119763215.db2.gz GUJGUVMDUDVPHF-UHFFFAOYSA-N -1 1 361.847 4.010 20 0 FIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000187442854 1119783633 /nfs/dbraw/zinc/78/36/33/1119783633.db2.gz HCAVIHITDVOZCM-UHFFFAOYSA-N -1 1 374.506 4.343 20 0 FIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000188963088 1119809696 /nfs/dbraw/zinc/80/96/96/1119809696.db2.gz XHPLTUOZGBVALS-UHFFFAOYSA-N -1 1 374.506 4.057 20 0 FIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000191888996 1120000369 /nfs/dbraw/zinc/00/03/69/1120000369.db2.gz JRDDAZXWCFGGHS-UHFFFAOYSA-N -1 1 373.396 4.004 20 0 FIADMM O=C(Nc1ccnn1Cc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000192274684 1120048798 /nfs/dbraw/zinc/04/87/98/1120048798.db2.gz VSPUXHQOASYZPD-UHFFFAOYSA-N -1 1 360.776 4.074 20 0 FIADMM Cc1cccc(-c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3[O-])n2)n1 ZINC000761774860 1120386809 /nfs/dbraw/zinc/38/68/09/1120386809.db2.gz GYXXLITZUUDUGF-UHFFFAOYSA-N -1 1 368.393 4.160 20 0 FIADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc([C@@H]3CCCS3)no2)c([O-])c1 ZINC000762231509 1120820225 /nfs/dbraw/zinc/82/02/25/1120820225.db2.gz RSIXDJVHRDNTJR-ZDUSSCGKSA-N -1 1 363.439 4.357 20 0 FIADMM CCOc1cc(C(=O)N(CCc2ccccc2)C2CC2)cc(Cl)c1[O-] ZINC000762583574 1120934955 /nfs/dbraw/zinc/93/49/55/1120934955.db2.gz BBBJABPWJAUKND-UHFFFAOYSA-N -1 1 359.853 4.292 20 0 FIADMM CCOc1cc(C(=O)Nc2cc(CSCC)ccn2)cc(Cl)c1[O-] ZINC000762625847 1120940765 /nfs/dbraw/zinc/94/07/65/1120940765.db2.gz RTHKYEXOEMYSGC-UHFFFAOYSA-N -1 1 366.870 4.345 20 0 FIADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(Br)ccc2Cl)C1 ZINC000236419155 1120965430 /nfs/dbraw/zinc/96/54/30/1120965430.db2.gz XGSRJOSKCRNBIY-LLVKDONJSA-N -1 1 360.679 4.179 20 0 FIADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(Br)ccc2Cl)C1 ZINC000236425737 1120965751 /nfs/dbraw/zinc/96/57/51/1120965751.db2.gz XGSRJOSKCRNBIY-NSHDSACASA-N -1 1 360.679 4.179 20 0 FIADMM Cc1sc(Cl)nc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000762867634 1120972251 /nfs/dbraw/zinc/97/22/51/1120972251.db2.gz VRBUCNVNCHVYSV-UHFFFAOYSA-N -1 1 354.819 4.015 20 0 FIADMM CCCCOc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1OCCCC ZINC000615226959 1120994980 /nfs/dbraw/zinc/99/49/80/1120994980.db2.gz NKWLPBFTHPVFOV-UHFFFAOYSA-N -1 1 361.442 4.034 20 0 FIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000028251023 1121019905 /nfs/dbraw/zinc/01/99/05/1121019905.db2.gz LIZIFTBTBMUWDR-CQSZACIVSA-N -1 1 372.490 4.349 20 0 FIADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2c(C)cc(C)cc2C)n1 ZINC000031535101 1121085107 /nfs/dbraw/zinc/08/51/07/1121085107.db2.gz CUKFVMSLLSKKHZ-UHFFFAOYSA-N -1 1 369.490 4.215 20 0 FIADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(Br)c3)ccc2[nH]1 ZINC000031721916 1121091138 /nfs/dbraw/zinc/09/11/38/1121091138.db2.gz KGMQFZJWHZUROR-UHFFFAOYSA-N -1 1 365.252 4.040 20 0 FIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097413 1121100200 /nfs/dbraw/zinc/10/02/00/1121100200.db2.gz MJYQBJIAXMGODC-UHFFFAOYSA-N -1 1 362.426 4.374 20 0 FIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)CCCC2 ZINC000032097256 1121100427 /nfs/dbraw/zinc/10/04/27/1121100427.db2.gz SGYJTPWZTILLCS-UHFFFAOYSA-N -1 1 368.458 4.385 20 0 FIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1cccc(Cl)c1 ZINC000032600007 1121111300 /nfs/dbraw/zinc/11/13/00/1121111300.db2.gz BYRASYCVRAZLFA-UHFFFAOYSA-N -1 1 365.760 4.082 20 0 FIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C(F)(F)F)c1 ZINC000054293488 1121187660 /nfs/dbraw/zinc/18/76/60/1121187660.db2.gz YVBQYLKMHOPHDY-UHFFFAOYSA-N -1 1 359.369 4.132 20 0 FIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)oc1C ZINC000054294076 1121188078 /nfs/dbraw/zinc/18/80/78/1121188078.db2.gz BAXBWCULTDDGFU-UHFFFAOYSA-N -1 1 362.838 4.413 20 0 FIADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CCC(F)(F)CC1 ZINC000763183939 1121233368 /nfs/dbraw/zinc/23/33/68/1121233368.db2.gz UGLPQTLCDOXPQS-UHFFFAOYSA-N -1 1 367.175 4.250 20 0 FIADMM CCCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1Cl ZINC000055315890 1121239097 /nfs/dbraw/zinc/23/90/97/1121239097.db2.gz ZATNJQPSXLHKSX-UHFFFAOYSA-N -1 1 362.813 4.045 20 0 FIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1Cl ZINC000055579702 1121254777 /nfs/dbraw/zinc/25/47/77/1121254777.db2.gz MDVQIHPLJWPCRN-UHFFFAOYSA-N -1 1 373.261 4.061 20 0 FIADMM CCCOc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000032599827 1121338201 /nfs/dbraw/zinc/33/82/01/1121338201.db2.gz REGRBDOYZNFSHK-UHFFFAOYSA-N -1 1 370.268 4.039 20 0 FIADMM Cc1ccc(NC(=O)CCC(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058149774 1121392118 /nfs/dbraw/zinc/39/21/18/1121392118.db2.gz BQQSAKHEJCMWOD-UHFFFAOYSA-N -1 1 360.479 4.171 20 0 FIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)c1 ZINC000063476072 1121566257 /nfs/dbraw/zinc/56/62/57/1121566257.db2.gz HEJSMHGKRJRXPC-UHFFFAOYSA-N -1 1 370.474 4.301 20 0 FIADMM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1c(F)cccc1F ZINC000065813396 1121709917 /nfs/dbraw/zinc/70/99/17/1121709917.db2.gz WJPFZIXFXYOUKY-UHFFFAOYSA-N -1 1 351.765 4.389 20 0 FIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000065834205 1121712753 /nfs/dbraw/zinc/71/27/53/1121712753.db2.gz VPECGPBIEOEGEZ-UHFFFAOYSA-N -1 1 373.261 4.007 20 0 FIADMM CCCCc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)cc1 ZINC000065834417 1121712923 /nfs/dbraw/zinc/71/29/23/1121712923.db2.gz UOVKDVXDMGPPBZ-UHFFFAOYSA-N -1 1 360.479 4.043 20 0 FIADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000068453920 1121828927 /nfs/dbraw/zinc/82/89/27/1121828927.db2.gz ADGWMJWCYIOYOX-UHFFFAOYSA-N -1 1 366.490 4.134 20 0 FIADMM COC(=O)c1cccc2nc(NC(=O)C(C)=Cc3ccc(Cl)cc3)[nH]c21 ZINC001127419306 1121861032 /nfs/dbraw/zinc/86/10/32/1121861032.db2.gz OUTXDTHBOTWHHY-ZHACJKMWSA-N -1 1 369.808 4.045 20 0 FIADMM CCCCCc1ccc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000916857443 1121893368 /nfs/dbraw/zinc/89/33/68/1121893368.db2.gz FLNFUPXIXUKIGW-UHFFFAOYSA-N -1 1 374.506 4.483 20 0 FIADMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000127021083 1122035699 /nfs/dbraw/zinc/03/56/99/1122035699.db2.gz PIMRZSNCVKYMKF-UHFFFAOYSA-N -1 1 370.768 4.345 20 0 FIADMM CC1(C)CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000497366245 1122146278 /nfs/dbraw/zinc/14/62/78/1122146278.db2.gz ISSPAVQBBWPEJK-UHFFFAOYSA-N -1 1 371.481 4.413 20 0 FIADMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000917127669 1122194719 /nfs/dbraw/zinc/19/47/19/1122194719.db2.gz ONAKSRISXZMKBR-UHFFFAOYSA-N -1 1 371.809 4.094 20 0 FIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000055594936 1122256364 /nfs/dbraw/zinc/25/63/64/1122256364.db2.gz VKMVDEGZFHZMPI-UHFFFAOYSA-N -1 1 366.870 4.106 20 0 FIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000055633146 1122258405 /nfs/dbraw/zinc/25/84/05/1122258405.db2.gz ZEGPQHGALZAYPO-UHFFFAOYSA-N -1 1 371.458 4.414 20 0 FIADMM [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186441855 1122317004 /nfs/dbraw/zinc/31/70/04/1122317004.db2.gz IBJNWCQTWKVVLH-GOSISDBHSA-N -1 1 350.245 4.330 20 0 FIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(Cl)c1 ZINC000497958243 1122491036 /nfs/dbraw/zinc/49/10/36/1122491036.db2.gz GTKDIYRYGSFAFU-UHFFFAOYSA-N -1 1 351.855 4.238 20 0 FIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000498011310 1122513225 /nfs/dbraw/zinc/51/32/25/1122513225.db2.gz HAAKWLZNUCWRBW-UHFFFAOYSA-N -1 1 373.503 4.303 20 0 FIADMM CCC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000498028351 1122525746 /nfs/dbraw/zinc/52/57/46/1122525746.db2.gz MFVMQRJRYSUUKM-MRXNPFEDSA-N -1 1 374.506 4.479 20 0 FIADMM O=C(CC1(CCc2ccccc2)CCCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000498287576 1122685473 /nfs/dbraw/zinc/68/54/73/1122685473.db2.gz XASOKBDDKIIPGC-UHFFFAOYSA-N -1 1 366.387 4.345 20 0 FIADMM C[C@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000556136898 1122688777 /nfs/dbraw/zinc/68/87/77/1122688777.db2.gz UORDXQCOHPCMMP-LBPRGKRZSA-N -1 1 357.454 4.165 20 0 FIADMM Cc1ccsc1-c1nsc([N-]C(=O)c2ccc(F)c(F)c2F)n1 ZINC000131455478 1123078837 /nfs/dbraw/zinc/07/88/37/1123078837.db2.gz ZRCCXOCMGBMJLH-UHFFFAOYSA-N -1 1 355.366 4.245 20 0 FIADMM Cc1ccc(CC(=O)Nc2c([O-])cc(Br)cc2Cl)cc1 ZINC000556846946 1123132751 /nfs/dbraw/zinc/13/27/51/1123132751.db2.gz LQFXTPNPFBYTJJ-UHFFFAOYSA-N -1 1 354.631 4.298 20 0 FIADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)c1c[nH]c2ncccc12 ZINC000919957621 1123284154 /nfs/dbraw/zinc/28/41/54/1123284154.db2.gz SBTNKCMDWGELNB-UHFFFAOYSA-N -1 1 367.405 4.170 20 0 FIADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1ccncc1)Cc1cccnc1 ZINC000132627014 1123306723 /nfs/dbraw/zinc/30/67/23/1123306723.db2.gz GAGZOTGQPHNFJT-UHFFFAOYSA-N -1 1 369.424 4.178 20 0 FIADMM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000920013092 1123309639 /nfs/dbraw/zinc/30/96/39/1123309639.db2.gz KRYXOBUNFSOGKA-UHFFFAOYSA-N -1 1 362.429 4.280 20 0 FIADMM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000132763617 1123357074 /nfs/dbraw/zinc/35/70/74/1123357074.db2.gz TUYDYDOBOYFAKA-FXAWDEMLSA-N -1 1 372.490 4.171 20 0 FIADMM CSc1nc(C)c(CCC(=O)O[C@H](C)c2c(C)cc(C)cc2C)c(=O)[n-]1 ZINC000920164050 1123391412 /nfs/dbraw/zinc/39/14/12/1123391412.db2.gz UUHYDTCYDGFILH-OAHLLOKOSA-N -1 1 374.506 4.375 20 0 FIADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(c2ccccc2)CC1 ZINC000133005406 1123397523 /nfs/dbraw/zinc/39/75/23/1123397523.db2.gz YKLYKMAULXDDRW-UHFFFAOYSA-N -1 1 360.251 4.175 20 0 FIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1C ZINC000499293194 1123413803 /nfs/dbraw/zinc/41/38/03/1123413803.db2.gz XAMYLGSPJQOJFR-UHFFFAOYSA-N -1 1 356.447 4.376 20 0 FIADMM COc1ccc2cc(CN(C)C(=O)c3c([O-])cccc3Cl)ccc2c1 ZINC000920430987 1123461266 /nfs/dbraw/zinc/46/12/66/1123461266.db2.gz JAVNXBLORPVNPD-UHFFFAOYSA-N -1 1 355.821 4.480 20 0 FIADMM O=C(NCCCCOc1ccc(Cl)cc1)c1c([O-])cccc1Cl ZINC000920432336 1123461368 /nfs/dbraw/zinc/46/13/68/1123461368.db2.gz SZWMDFKEJHPSRA-UHFFFAOYSA-N -1 1 354.233 4.288 20 0 FIADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2nc3ccccc3c(=O)[n-]2)o1 ZINC000075544083 1123498164 /nfs/dbraw/zinc/49/81/64/1123498164.db2.gz AYLWNOUROYIUCQ-CXAGYDPISA-N -1 1 365.433 4.104 20 0 FIADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000920946158 1123540943 /nfs/dbraw/zinc/54/09/43/1123540943.db2.gz LLGCLVKADVJBCF-HNNXBMFYSA-N -1 1 374.440 4.163 20 0 FIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)cc1 ZINC000174907454 1123576537 /nfs/dbraw/zinc/57/65/37/1123576537.db2.gz FRMSTVYBKXYOHM-HOCLYGCPSA-N -1 1 372.538 4.247 20 0 FIADMM CCCC[C@@H](CCC)NC(=O)Cn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000175000207 1123703341 /nfs/dbraw/zinc/70/33/41/1123703341.db2.gz FTOVKZOESNOYAJ-MRXNPFEDSA-N -1 1 360.527 4.391 20 0 FIADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135136032 1123720281 /nfs/dbraw/zinc/72/02/81/1123720281.db2.gz YPPMTZXBBNZOTE-VIFPVBQESA-N -1 1 370.193 4.266 20 0 FIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135505279 1123768517 /nfs/dbraw/zinc/76/85/17/1123768517.db2.gz DSISOYUHGOCCRU-UHFFFAOYSA-N -1 1 371.796 4.263 20 0 FIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175525714 1123908769 /nfs/dbraw/zinc/90/87/69/1123908769.db2.gz CGFFHBQDKPCQTH-UHFFFAOYSA-N -1 1 355.781 4.225 20 0 FIADMM CCOc1cc(C(=O)N[C@H]2CCCc3sccc32)cc(Cl)c1[O-] ZINC000137362435 1123970131 /nfs/dbraw/zinc/97/01/31/1123970131.db2.gz OJFFEOGMPSJPDH-ZDUSSCGKSA-N -1 1 351.855 4.313 20 0 FIADMM O=C(N[C@H]1CCCc2sccc21)c1ccc(Br)c([O-])c1 ZINC000137405779 1123971229 /nfs/dbraw/zinc/97/12/29/1123971229.db2.gz XGWOLPICKGMABA-LBPRGKRZSA-N -1 1 352.253 4.024 20 0 FIADMM C[C@@H]1C[C@@H](CC(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)CC(C)(C)C1 ZINC000068427983 1124232623 /nfs/dbraw/zinc/23/26/23/1124232623.db2.gz XIXUHJLDKSSLTR-KGLIPLIRSA-N -1 1 364.559 4.036 20 0 FIADMM CC[C@@H](C)c1nc(C)c(Cc2nc(-c3ccc([O-])cc3F)no2)c(C)n1 ZINC000656012552 1124350880 /nfs/dbraw/zinc/35/08/80/1124350880.db2.gz FSTNCXAABSVPHU-SNVBAGLBSA-N -1 1 356.401 4.092 20 0 FIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc3c(ccnc3Cl)o2)c(F)c1 ZINC001127616827 1124579576 /nfs/dbraw/zinc/57/95/76/1124579576.db2.gz AUXFCMHIVVRWDP-UHFFFAOYSA-N -1 1 350.708 4.214 20 0 FIADMM CCOc1cnc(Br)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214482642 1124810866 /nfs/dbraw/zinc/81/08/66/1124810866.db2.gz GLWVRXRKLLIAHB-UHFFFAOYSA-N -1 1 361.598 4.485 20 0 FIADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)c2ccc(Br)cc21 ZINC000672191010 1124848941 /nfs/dbraw/zinc/84/89/41/1124848941.db2.gz QYNZWBSNABFQSA-UHFFFAOYSA-N -1 1 364.214 4.232 20 0 FIADMM CCOc1ccc(OCC)c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000069446969 1124883886 /nfs/dbraw/zinc/88/38/86/1124883886.db2.gz ZAUFKKJZUVBHPR-UHFFFAOYSA-N -1 1 373.474 4.213 20 0 FIADMM O=C(Nc1csc(-c2ccccc2)n1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000672333393 1125011191 /nfs/dbraw/zinc/01/11/91/1125011191.db2.gz GIMWYDFFAYJAMN-UHFFFAOYSA-N -1 1 374.425 4.017 20 0 FIADMM O=C([N-]c1csc(-c2ccccc2)n1)c1noc(-c2cccc(F)c2)n1 ZINC000672332230 1125019404 /nfs/dbraw/zinc/01/94/04/1125019404.db2.gz XLOUWKSVLFEPPK-UHFFFAOYSA-N -1 1 366.377 4.252 20 0 FIADMM CCOc1cc(C(=O)Nc2cccc(Br)c2)cc(Cl)c1[O-] ZINC000215904579 1125059314 /nfs/dbraw/zinc/05/93/14/1125059314.db2.gz AJPIXRQMEHWSRF-UHFFFAOYSA-N -1 1 370.630 4.459 20 0 FIADMM C[C@H](CCC(C)(C)C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000077797157 1125269319 /nfs/dbraw/zinc/26/93/19/1125269319.db2.gz MNMAMUYIPFHWPP-OAHLLOKOSA-N -1 1 360.498 4.211 20 0 FIADMM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1nccc2sccc21 ZINC000763509561 1125309442 /nfs/dbraw/zinc/30/94/42/1125309442.db2.gz KBVCLEFCGZXZFG-JXMROGBWSA-N -1 1 350.852 4.362 20 0 FIADMM Nc1c(Cl)cc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000018994816 220234334 /nfs/dbraw/zinc/23/43/34/220234334.db2.gz XTPOKSXIBOWUFR-UHFFFAOYSA-N -1 1 351.642 4.030 20 0 FIADMM CCOC(=O)c1[nH]c(C)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c1C ZINC000602759598 568032670 /nfs/dbraw/zinc/03/26/70/568032670.db2.gz OBUPJOPOYKWRAP-UHFFFAOYSA-N -1 1 371.462 4.064 20 0 FIADMM CCCc1nc(C)c(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)s1 ZINC000461109424 568034548 /nfs/dbraw/zinc/03/45/48/568034548.db2.gz HPEMZOOXJDCGAY-UHFFFAOYSA-N -1 1 356.369 4.276 20 0 FIADMM CCC/C=C/c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000603632434 568128173 /nfs/dbraw/zinc/12/81/73/568128173.db2.gz NZSZQNRMLLRZBF-VOTSOKGWSA-N -1 1 353.216 4.417 20 0 FIADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)c2)n1 ZINC000604305169 568247286 /nfs/dbraw/zinc/24/72/86/568247286.db2.gz IEEQMLQFOGHJCL-UHFFFAOYSA-N -1 1 373.865 4.215 20 0 FIADMM O=C([N-]c1sc2c(c1C(=O)C1CC1)CCC2)c1ocnc1C(F)F ZINC000637145414 568458007 /nfs/dbraw/zinc/45/80/07/568458007.db2.gz WQBXXVFGLYWZGN-UHFFFAOYSA-N -1 1 352.362 4.007 20 0 FIADMM CCOc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1C ZINC000604971988 568464589 /nfs/dbraw/zinc/46/45/89/568464589.db2.gz KLSKVDYYAPOIGR-UHFFFAOYSA-N -1 1 372.446 4.158 20 0 FIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000028195965 568520788 /nfs/dbraw/zinc/52/07/88/568520788.db2.gz UZYCGHQHLALOKO-UHFFFAOYSA-N -1 1 368.296 4.429 20 0 FIADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2)o1 ZINC000040721712 571092812 /nfs/dbraw/zinc/09/28/12/571092812.db2.gz PNMMBCLYWTZBNP-HXUWFJFHSA-N -1 1 360.413 4.213 20 0 FIADMM