smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1cc(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c([N-]C(=O)c3ccco3)c21 ZINC000000974260 193994743 /nfs/dbraw/zinc/99/47/43/193994743.db2.gz PMJCJRWMFRSXIP-UHFFFAOYSA-N -1 3 497.576 6.575 50 0 JKAAHM Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000001051325 194010397 /nfs/dbraw/zinc/01/03/97/194010397.db2.gz WCJIVBGJYNUZEI-UHFFFAOYSA-N -1 3 495.402 5.442 50 0 JKAAHM O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1Cl ZINC000001048466 194009282 /nfs/dbraw/zinc/00/92/82/194009282.db2.gz VULJSOKCHWRDFS-UHFFFAOYSA-N -1 3 487.792 5.271 50 0 JKAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000001049915 194009851 /nfs/dbraw/zinc/00/98/51/194009851.db2.gz MNMNIUJMOONHBH-UHFFFAOYSA-N -1 3 495.402 5.192 50 0 JKAAHM O=C(Nc1cc(Br)ccc1[O-])c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000001059372 194012091 /nfs/dbraw/zinc/01/20/91/194012091.db2.gz ZKWPLZRKPRKUBD-UHFFFAOYSA-N -1 3 477.240 5.136 50 0 JKAAHM CCOc1ccc([C@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000001100583 194024122 /nfs/dbraw/zinc/02/41/22/194024122.db2.gz PVZHYBGRBZTSSA-NRFANRHFSA-N -1 3 463.515 5.057 50 0 JKAAHM CC[C@H](C)c1ccc(NC(=S)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001118334 194031573 /nfs/dbraw/zinc/03/15/73/194031573.db2.gz YCZSHEZUUICXEI-SFHVURJKSA-N -1 3 453.633 6.118 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000001121663 194034007 /nfs/dbraw/zinc/03/40/07/194034007.db2.gz BJVNYXVCGUPNMW-UHFFFAOYSA-N -1 3 478.401 6.363 50 0 JKAAHM O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1Cl ZINC000001136152 194042162 /nfs/dbraw/zinc/04/21/62/194042162.db2.gz YFTRCYCDPOIEEF-UHFFFAOYSA-N -1 3 455.750 5.700 50 0 JKAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccccc1Br ZINC000001170248 194059375 /nfs/dbraw/zinc/05/93/75/194059375.db2.gz DJWCBSBCGQWSMY-UHFFFAOYSA-N -1 3 468.332 5.090 50 0 JKAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1Cl ZINC000001149539 194049753 /nfs/dbraw/zinc/04/97/53/194049753.db2.gz JQOYDOLZKYQTBD-UHFFFAOYSA-N -1 3 455.750 5.700 50 0 JKAAHM O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)cc1)C1CCCCC1 ZINC000001162858 194055919 /nfs/dbraw/zinc/05/59/19/194055919.db2.gz YNZATUMAHRRQED-UHFFFAOYSA-N -1 3 456.498 5.504 50 0 JKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000001218957 194073462 /nfs/dbraw/zinc/07/34/62/194073462.db2.gz QPLALNLFODDWAD-UHFFFAOYSA-N -1 3 450.779 5.166 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000001382304 194113391 /nfs/dbraw/zinc/11/33/91/194113391.db2.gz KSMIUXMGJVSNCJ-UHFFFAOYSA-N -1 3 458.845 5.356 50 0 JKAAHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(OCc2cnc(Cl)s2)cc1 ZINC000001402049 194115339 /nfs/dbraw/zinc/11/53/39/194115339.db2.gz RYMMTZJQSXDSJB-UHFFFAOYSA-N -1 3 464.874 5.075 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404651 194115553 /nfs/dbraw/zinc/11/55/53/194115553.db2.gz SCRSGNFXQDDBAG-RUZDIDTESA-N -1 3 488.385 6.296 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404651 194115556 /nfs/dbraw/zinc/11/55/56/194115556.db2.gz SCRSGNFXQDDBAG-RUZDIDTESA-N -1 3 488.385 6.296 50 0 JKAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)c(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000001424718 194118771 /nfs/dbraw/zinc/11/87/71/194118771.db2.gz WMDGHRGBINJDMS-PPJWLVRDSA-N -1 3 462.933 5.098 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2F)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001445899 194122623 /nfs/dbraw/zinc/12/26/23/194122623.db2.gz YBIFMJXYVPCMSO-QHCPKHFHSA-N -1 3 478.321 5.737 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2F)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001445899 194122626 /nfs/dbraw/zinc/12/26/26/194122626.db2.gz YBIFMJXYVPCMSO-QHCPKHFHSA-N -1 3 478.321 5.737 50 0 JKAAHM O=C1Nc2ccc(Cl)cc2[C@@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3F)nc1O2 ZINC000002094416 194156889 /nfs/dbraw/zinc/15/68/89/194156889.db2.gz DZFFJXWRIOZAFE-DEOSSOPVSA-N -1 3 491.935 5.233 50 0 biogenic JKAAHM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000002211679 194158259 /nfs/dbraw/zinc/15/82/59/194158259.db2.gz QHTLEEMQLOJYSR-OAHLLOKOSA-N -1 3 477.611 5.973 50 0 JKAAHM O=C([N-]c1ncn(Cc2c(F)cccc2Cl)n1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000002795600 194165658 /nfs/dbraw/zinc/16/56/58/194165658.db2.gz QQLMOAWPCXAQFM-UHFFFAOYSA-N -1 3 495.725 5.850 50 0 JKAAHM O=C([N-]c1ncn(Cc2c(F)cccc2Cl)n1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002795274 194165753 /nfs/dbraw/zinc/16/57/53/194165753.db2.gz JHFIHRLKPOOOGK-UHFFFAOYSA-N -1 3 466.900 5.032 50 0 JKAAHM O=C(Nc1ccc(Cc2ccc(NC(=O)c3cccs3)c(O)c2)cc1[O-])c1cccs1 ZINC000002983481 194194855 /nfs/dbraw/zinc/19/48/55/194194855.db2.gz IEDIRVQJGWDIGJ-UHFFFAOYSA-N -1 3 450.541 5.316 50 0 JKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000003011406 194204632 /nfs/dbraw/zinc/20/46/32/194204632.db2.gz WQFCVTGAOFUDLL-CXAGYDPISA-N -1 3 471.266 5.808 50 0 JKAAHM Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Cl)ccc4[O-])cc3N2)cc1 ZINC000003011305 194204662 /nfs/dbraw/zinc/20/46/62/194204662.db2.gz UPEMLKQSXBWACM-KDOFPFPSSA-N -1 3 450.848 5.463 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc4ccccc34)cc2)c(C)c1 ZINC000002994385 194197492 /nfs/dbraw/zinc/19/74/92/194197492.db2.gz VLGGIIOPMNWDDS-GZTJUZNOSA-N -1 3 456.567 5.909 50 0 JKAAHM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000003031010 194212690 /nfs/dbraw/zinc/21/26/90/194212690.db2.gz DOBFPGMTOLKTHF-UHFFFAOYSA-N -1 3 471.312 5.002 50 0 JKAAHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F ZINC000003021903 194208939 /nfs/dbraw/zinc/20/89/39/194208939.db2.gz UIKSIXOHSMOTLQ-XIKOKIGWSA-N -1 3 459.370 5.242 50 0 JKAAHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)[C@@H]1C ZINC000003021950 194208949 /nfs/dbraw/zinc/20/89/49/194208949.db2.gz PIKZISIZVUJQSI-VLXJIEOASA-N -1 3 473.397 5.488 50 0 JKAAHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000003021931 194208973 /nfs/dbraw/zinc/20/89/73/194208973.db2.gz TZBXCLXUYJFNHC-UHFFFAOYSA-N -1 3 459.370 5.386 50 0 JKAAHM O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003206119 194238932 /nfs/dbraw/zinc/23/89/32/194238932.db2.gz IRROFRJLNSONSU-UHFFFAOYSA-N -1 3 490.837 5.690 50 0 JKAAHM O=C(CSc1nc2ccc([O-])cc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000003236887 194247440 /nfs/dbraw/zinc/24/74/40/194247440.db2.gz PFPMQZWBGCSFBG-UHFFFAOYSA-N -1 3 472.353 5.129 50 0 JKAAHM O=S(=O)([N-]c1ccccc1Cl)c1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000003265905 194256500 /nfs/dbraw/zinc/25/65/00/194256500.db2.gz MMYZIXRFFAAZQQ-UHFFFAOYSA-N -1 3 496.017 5.339 50 0 JKAAHM C[C@@H]1CCc2c(sc3[n-]c(COC(=O)C(=Cc4cccs4)c4cccs4)nc(=O)c23)C1 ZINC000003300168 194272213 /nfs/dbraw/zinc/27/22/13/194272213.db2.gz UAJFVYJTBQHWRM-KWWJGWKXSA-N -1 3 468.625 5.516 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000003304377 194274116 /nfs/dbraw/zinc/27/41/16/194274116.db2.gz GHBPQGLCOHPCOP-UHFFFAOYSA-N -1 3 471.486 5.179 50 0 JKAAHM Cn1c(=O)c2c3c(sc2nc1SCc1nc(=O)c2c(-c4ccccc4)csc2[n-]1)CCCC3 ZINC000003322499 194281394 /nfs/dbraw/zinc/28/13/94/194281394.db2.gz PUJHMQXUUISOAG-UHFFFAOYSA-N -1 3 492.651 5.131 50 0 JKAAHM O=C(Nc1cccc2c1C(=O)[N-]C2=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003315499 194278454 /nfs/dbraw/zinc/27/84/54/194278454.db2.gz NVZWHWGDNHYGRX-UHFFFAOYSA-N -1 3 496.737 5.998 50 0 JKAAHM Cc1c(=O)c2cccc(C(=O)[N-]c3nnc(SCc4ccccc4)s3)c2oc1-c1ccccc1 ZINC000003337066 194288707 /nfs/dbraw/zinc/28/87/07/194288707.db2.gz VIHABOPKXTZWRR-UHFFFAOYSA-N -1 3 485.590 6.165 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4cc(F)ccc4c3Cl)cc2)cc1 ZINC000003340765 194290186 /nfs/dbraw/zinc/29/01/86/194290186.db2.gz SCNOSMMTLUTXSL-UHFFFAOYSA-N -1 3 490.965 5.756 50 0 JKAAHM Cc1ccc(C)c(-n2nnnc2SCc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)c1 ZINC000003345729 194292837 /nfs/dbraw/zinc/29/28/37/194292837.db2.gz DEBYTQSRNLBPNC-UHFFFAOYSA-N -1 3 481.006 5.190 50 0 JKAAHM CCSc1nnc([N-]C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)s1 ZINC000003361066 194300417 /nfs/dbraw/zinc/30/04/17/194300417.db2.gz COVPQCZNAVTIEQ-UHFFFAOYSA-N -1 3 472.599 5.612 50 0 JKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(NC(C)=O)c3)c2)cc1 ZINC000003437895 194324413 /nfs/dbraw/zinc/32/44/13/194324413.db2.gz VYEZUELPYPWZDX-UHFFFAOYSA-N -1 3 479.602 5.349 50 0 JKAAHM C[C@H](Nc1cc(Cl)ccc1Sc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000003476715 194331304 /nfs/dbraw/zinc/33/13/04/194331304.db2.gz LYTFVSLPTLZLFU-CABCVRRESA-N -1 3 482.074 7.087 50 0 JKAAHM Cc1ccc(CNCc2c3ccc(C)cc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])cc1 ZINC000009275043 194652672 /nfs/dbraw/zinc/65/26/72/194652672.db2.gz KBTAJQWPKWBNTM-UHFFFAOYSA-N -1 3 450.941 6.087 50 0 JKAAHM COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccc([O-])cc2)CC3)cc1 ZINC000009663403 194860495 /nfs/dbraw/zinc/86/04/95/194860495.db2.gz QWXWFFJBHLFDOA-KNTRCKAVSA-N -1 3 480.520 5.231 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(c(Cl)c2)O[C@]2(C3)N(C)c3ccccc3C2(C)C)cc1 ZINC000009861236 195001801 /nfs/dbraw/zinc/00/18/01/195001801.db2.gz YWDCBRLJHLUFLK-VWLOTQADSA-N -1 3 469.006 5.508 50 0 JKAAHM Cc1cc(CSc2ccccc2C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)no1 ZINC000009870975 195006145 /nfs/dbraw/zinc/00/61/45/195006145.db2.gz LTYZCFBCJCWTAO-UHFFFAOYSA-N -1 3 497.573 5.468 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(Cl)nc(Cl)c3)ccc2C)c(C)c1 ZINC000009957240 195037041 /nfs/dbraw/zinc/03/70/41/195037041.db2.gz VKYAUIUAAYLPLO-UHFFFAOYSA-N -1 3 464.374 5.367 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000012600028 195045252 /nfs/dbraw/zinc/04/52/52/195045252.db2.gz TWNCZVCHJJQKOY-UHFFFAOYSA-N -1 3 476.520 5.395 50 0 JKAAHM CC(C)CN(CC(C)C)C(=O)CS[C@@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000012617775 195055728 /nfs/dbraw/zinc/05/57/28/195055728.db2.gz FPOCYXVBTFJLTR-HNNXBMFYSA-N -1 3 463.694 5.648 50 0 JKAAHM O=C(CSc1nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2o1)c1ccc(Cl)s1 ZINC000012619207 195056106 /nfs/dbraw/zinc/05/61/06/195056106.db2.gz AGEJCIBAJKXYOC-UHFFFAOYSA-N -1 3 499.422 5.972 50 0 JKAAHM C[C@H]1CCc2c(sc3[n-]c(COC(=O)c4c5ccccc5nc5c4C[C@@H](C)CC5)nc(=O)c23)C1 ZINC000012624388 195058841 /nfs/dbraw/zinc/05/88/41/195058841.db2.gz LPKYUWHVYPRSQK-GJZGRUSLSA-N -1 3 473.598 5.139 50 0 JKAAHM COc1cc(C=Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc(Br)c1[O-] ZINC000012801503 195139266 /nfs/dbraw/zinc/13/92/66/195139266.db2.gz MHYRIUSVXSPDNQ-BQYQJAHWSA-N -1 3 455.333 5.299 50 0 JKAAHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012812970 195145309 /nfs/dbraw/zinc/14/53/09/195145309.db2.gz DZUVCXRHSRFSDV-UHFFFAOYSA-N -1 3 486.519 5.131 50 0 JKAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000012845109 195151966 /nfs/dbraw/zinc/15/19/66/195151966.db2.gz SMXJIABBRQTHRS-UWJYYQICSA-N -1 3 475.639 5.637 50 0 JKAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000012845095 195151971 /nfs/dbraw/zinc/15/19/71/195151971.db2.gz SMXJIABBRQTHRS-DYESRHJHSA-N -1 3 475.639 5.637 50 0 JKAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000012845100 195151976 /nfs/dbraw/zinc/15/19/76/195151976.db2.gz SMXJIABBRQTHRS-LAUBAEHRSA-N -1 3 475.639 5.637 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020729638 195209513 /nfs/dbraw/zinc/20/95/13/195209513.db2.gz FBMTVBKUBIJDPY-DEOSSOPVSA-N -1 3 478.390 5.027 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2cccs2)cc1 ZINC000020855058 195231880 /nfs/dbraw/zinc/23/18/80/195231880.db2.gz HPXZKVGOWVWDKI-OAQYLSRUSA-N -1 3 450.361 5.959 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2cccs2)cc1 ZINC000020855058 195231883 /nfs/dbraw/zinc/23/18/83/195231883.db2.gz HPXZKVGOWVWDKI-OAQYLSRUSA-N -1 3 450.361 5.959 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020745235 195215179 /nfs/dbraw/zinc/21/51/79/195215179.db2.gz XZRBMOSZYWNSAB-LJQANCHMSA-N -1 3 483.193 5.185 50 0 JKAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 ZINC000020745267 195215184 /nfs/dbraw/zinc/21/51/84/195215184.db2.gz GTOZYQMJURGGEF-MHZLTWQESA-N -1 3 475.539 5.287 50 0 JKAAHM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000021034023 195270060 /nfs/dbraw/zinc/27/00/60/195270060.db2.gz LCJYTFIMENUMBB-UHFFFAOYSA-N -1 3 451.317 5.230 50 0 JKAAHM CC(C)(C)[C@H]1CCc2c(sc([N-]C(=O)C(F)(F)F)c2C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000002994815 518978045 /nfs/dbraw/zinc/97/80/45/518978045.db2.gz MLQQEGGIFMQLDZ-NSHDSACASA-N -1 3 492.485 6.671 50 0 JKAAHM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000033297813 519077619 /nfs/dbraw/zinc/07/76/19/519077619.db2.gz OEAJBFNWZJYGFF-UHFFFAOYSA-N -1 3 460.568 5.666 50 0 JKAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)cc1 ZINC000033115546 519838809 /nfs/dbraw/zinc/83/88/09/519838809.db2.gz QCLFDNHZXDWVOW-UHFFFAOYSA-N -1 3 476.642 5.391 50 0 JKAAHM CCCSc1ncc(Cl)c(C(=O)[N-]c2scc(-c3ccccc3)c2C(=O)OCC)n1 ZINC000009431820 520570338 /nfs/dbraw/zinc/57/03/38/520570338.db2.gz FNWMDHDEZRFTEE-UHFFFAOYSA-N -1 3 461.996 5.790 50 0 JKAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000033078175 520892208 /nfs/dbraw/zinc/89/22/08/520892208.db2.gz JPYZMFOFEAIPOB-UHFFFAOYSA-N -1 3 481.622 5.109 50 0 JKAAHM CCOc1ccc(CNCc2c(C)n(Cc3c(F)cccc3Cl)c(C)c2C(=O)[O-])cc1OC ZINC000008614243 521004955 /nfs/dbraw/zinc/00/49/55/521004955.db2.gz JFTQVPBJMRPIOJ-UHFFFAOYSA-N -1 3 474.960 5.341 50 0 JKAAHM COC(=O)c1c([N-]C(=O)c2nc(SCc3ccccc3)ncc2Cl)sc2c1CCCC2 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O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000009678974 555403301 /nfs/dbraw/zinc/40/33/01/555403301.db2.gz FMVZKYMHRCAFEV-JOCHJYFZSA-N -1 3 482.740 6.382 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679033 555403362 /nfs/dbraw/zinc/40/33/62/555403362.db2.gz RXGURGWJKXOUKU-DEOSSOPVSA-N -1 3 490.357 5.606 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679033 555403366 /nfs/dbraw/zinc/40/33/66/555403366.db2.gz RXGURGWJKXOUKU-DEOSSOPVSA-N -1 3 490.357 5.606 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679034 555403468 /nfs/dbraw/zinc/40/34/68/555403468.db2.gz QRAPWSFOADVPIY-XMMPIXPASA-N -1 3 490.357 5.606 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679034 555403471 /nfs/dbraw/zinc/40/34/71/555403471.db2.gz QRAPWSFOADVPIY-XMMPIXPASA-N -1 3 490.357 5.606 50 0 JKAAHM COc1ccccc1[C@@H]1c2c(-c3ccc(Br)cc3)n[n-]c2C(=O)N1c1ccc(Cl)cc1 ZINC000009678971 555403515 /nfs/dbraw/zinc/40/35/15/555403515.db2.gz VASMHCBBKQASID-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccccc1[C@@H]1c2c(n[n-]c2-c2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000009678971 555403517 /nfs/dbraw/zinc/40/35/17/555403517.db2.gz VASMHCBBKQASID-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@@H](c2cccs2)N1c1ccc(Cl)cc1 ZINC000009678989 555403527 /nfs/dbraw/zinc/40/35/27/555403527.db2.gz UWRUGNXWFLPEPP-HXUWFJFHSA-N -1 3 470.779 6.304 50 0 JKAAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@@H](c2cccs2)N1c1ccc(Cl)cc1 ZINC000009678989 555403528 /nfs/dbraw/zinc/40/35/28/555403528.db2.gz UWRUGNXWFLPEPP-HXUWFJFHSA-N -1 3 470.779 6.304 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2cccc(O)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679074 555403756 /nfs/dbraw/zinc/40/37/56/555403756.db2.gz NUQCQGVVCONSSV-HSZRJFAPSA-N -1 3 476.330 5.303 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2cccc(O)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679074 555403758 /nfs/dbraw/zinc/40/37/58/555403758.db2.gz NUQCQGVVCONSSV-HSZRJFAPSA-N -1 3 476.330 5.303 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679039 555403859 /nfs/dbraw/zinc/40/38/59/555403859.db2.gz IULHFUFVCQODME-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679039 555403863 /nfs/dbraw/zinc/40/38/63/555403863.db2.gz IULHFUFVCQODME-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM CCc1ccc([C@H]2c3c(-c4ccc(OC)cc4)n[n-]c3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679050 555403890 /nfs/dbraw/zinc/40/38/90/555403890.db2.gz OZDYWEQDLOAVFY-VWLOTQADSA-N -1 3 488.385 6.160 50 0 JKAAHM CCc1ccc([C@H]2c3c(n[n-]c3-c3ccc(OC)cc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679050 555403892 /nfs/dbraw/zinc/40/38/92/555403892.db2.gz OZDYWEQDLOAVFY-VWLOTQADSA-N -1 3 488.385 6.160 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2cccs2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679073 555403914 /nfs/dbraw/zinc/40/39/14/555403914.db2.gz QLGWKTGBUAMRPV-NRFANRHFSA-N -1 3 466.360 5.659 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2cccs2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679073 555403918 /nfs/dbraw/zinc/40/39/18/555403918.db2.gz QLGWKTGBUAMRPV-NRFANRHFSA-N -1 3 466.360 5.659 50 0 JKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679161 555404292 /nfs/dbraw/zinc/40/42/92/555404292.db2.gz SEQBXTLVTDIBQJ-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679161 555404294 /nfs/dbraw/zinc/40/42/94/555404294.db2.gz SEQBXTLVTDIBQJ-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000009679181 555404743 /nfs/dbraw/zinc/40/47/43/555404743.db2.gz ZGDZGPRMYVGBRL-QHCPKHFHSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000009679181 555404747 /nfs/dbraw/zinc/40/47/47/555404747.db2.gz ZGDZGPRMYVGBRL-QHCPKHFHSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000009679179 555404767 /nfs/dbraw/zinc/40/47/67/555404767.db2.gz ZGDZGPRMYVGBRL-HSZRJFAPSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000009679179 555404770 /nfs/dbraw/zinc/40/47/70/555404770.db2.gz ZGDZGPRMYVGBRL-HSZRJFAPSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000009679199 555404910 /nfs/dbraw/zinc/40/49/10/555404910.db2.gz IPDPKWDUNHWCSI-QHCPKHFHSA-N -1 3 460.331 5.603 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000009679199 555404913 /nfs/dbraw/zinc/40/49/13/555404913.db2.gz IPDPKWDUNHWCSI-QHCPKHFHSA-N -1 3 460.331 5.603 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679241 555405238 /nfs/dbraw/zinc/40/52/38/555405238.db2.gz PGSBRKOTLKCQEH-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679241 555405240 /nfs/dbraw/zinc/40/52/40/555405240.db2.gz PGSBRKOTLKCQEH-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679280 555405388 /nfs/dbraw/zinc/40/53/88/555405388.db2.gz OYWMOGYSSRXXFT-AREMUKBSSA-N -1 3 495.535 5.098 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679280 555405389 /nfs/dbraw/zinc/40/53/89/555405389.db2.gz OYWMOGYSSRXXFT-AREMUKBSSA-N -1 3 495.535 5.098 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000009679400 555406240 /nfs/dbraw/zinc/40/62/40/555406240.db2.gz IJIYQTBNUYBRDX-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000009679400 555406244 /nfs/dbraw/zinc/40/62/44/555406244.db2.gz IJIYQTBNUYBRDX-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679411 555406342 /nfs/dbraw/zinc/40/63/42/555406342.db2.gz GVNNGOSCPVHPAW-SANMLTNESA-N -1 3 485.515 5.541 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679411 555406345 /nfs/dbraw/zinc/40/63/45/555406345.db2.gz GVNNGOSCPVHPAW-SANMLTNESA-N -1 3 485.515 5.541 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000009597864 555415045 /nfs/dbraw/zinc/41/50/45/555415045.db2.gz WSHOWIIQVHHJBD-UHFFFAOYSA-N -1 3 462.483 5.228 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2)cc1 ZINC000009689869 555417053 /nfs/dbraw/zinc/41/70/53/555417053.db2.gz OIBVDTRVTGHFLA-OAQYLSRUSA-N -1 3 498.626 5.019 50 0 JKAAHM CCCCSc1nnc2c(n1)O[C@H](c1cc(Br)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000009600928 555424636 /nfs/dbraw/zinc/42/46/36/555424636.db2.gz NWTADKNGVJAMHQ-LJQANCHMSA-N -1 3 489.395 5.411 50 0 JKAAHM Cc1c(CNCc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746819 555478737 /nfs/dbraw/zinc/47/87/37/555478737.db2.gz AMSNNGSUPPINLZ-UHFFFAOYSA-N -1 3 461.787 5.557 50 0 JKAAHM COc1cc(CNCc2c(C)n(Cc3c(C)cc(C)cc3C)c(C)c2C(=O)[O-])cc(OC)c1OC ZINC000009747128 555478965 /nfs/dbraw/zinc/47/89/65/555478965.db2.gz UHWSAWBEQUYOKF-UHFFFAOYSA-N -1 3 480.605 5.092 50 0 JKAAHM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(-c3ccc(OC)cc3[O-])cs2)cc1 ZINC000019851156 555511214 /nfs/dbraw/zinc/51/12/14/555511214.db2.gz KWLXIPNNPXYEEA-DEOSSOPVSA-N -1 3 457.555 5.889 50 0 JKAAHM O=C(Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1)c1c[n-]nc1-c1ccccc1 ZINC000009803711 555516286 /nfs/dbraw/zinc/51/62/86/555516286.db2.gz FLQGCLLWGGZVTR-UHFFFAOYSA-N -1 3 465.538 5.705 50 0 JKAAHM O=C(Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1)c1cn[n-]c1-c1ccccc1 ZINC000009803711 555516288 /nfs/dbraw/zinc/51/62/88/555516288.db2.gz FLQGCLLWGGZVTR-UHFFFAOYSA-N -1 3 465.538 5.705 50 0 JKAAHM C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013617552 555536922 /nfs/dbraw/zinc/53/69/22/555536922.db2.gz POFJLUIMNQZBLM-PQNGQFLHSA-N -1 3 453.325 5.435 50 0 JKAAHM CC(=O)N(c1nc(CSc2nnc([N-]c3ccccc3Cl)s2)cs1)c1ccccc1F ZINC000009835719 555540786 /nfs/dbraw/zinc/54/07/86/555540786.db2.gz IJMFQGZNYKBVEN-UHFFFAOYSA-N -1 3 492.026 6.508 50 0 JKAAHM COc1ccccc1C1=NN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)[C@]([O-])(C(F)(F)F)C1 ZINC000013642968 555548391 /nfs/dbraw/zinc/54/83/91/555548391.db2.gz CDIKKSYRHIKDIQ-GOSISDBHSA-N -1 3 488.413 5.098 50 0 JKAAHM CCc1ccc(C2=NN(c3nc(-c4ccco4)cc(C(F)(F)F)n3)[C@@]([O-])(C(F)(F)F)C2)cc1 ZINC000013643039 555548466 /nfs/dbraw/zinc/54/84/66/555548466.db2.gz SSEZHSYWOCUPCC-IBGZPJMESA-N -1 3 470.373 5.183 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000013659686 555555882 /nfs/dbraw/zinc/55/58/82/555555882.db2.gz AFWXVGVLMNSEKH-DSNGMDLFSA-N -1 3 488.465 5.910 50 0 JKAAHM Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1Cc1cccc(Cl)c1 ZINC000019943477 555561487 /nfs/dbraw/zinc/56/14/87/555561487.db2.gz MXQJEFQMDSHJML-UHFFFAOYSA-N -1 3 485.031 5.234 50 0 JKAAHM CCOc1ccc(-c2nc(COC(=O)CCC(=O)c3ccc([O-])c(OCC)c3)cs2)cc1OC ZINC000009882344 555562181 /nfs/dbraw/zinc/56/21/81/555562181.db2.gz LIZQRGWSADSKRH-UHFFFAOYSA-N -1 3 485.558 5.028 50 0 JKAAHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(C)c4OC)ccc3[O-])nc2c1 ZINC000009892149 555562955 /nfs/dbraw/zinc/56/29/55/555562955.db2.gz PKYPTYOWGYBOHO-UHFFFAOYSA-N -1 3 461.543 5.207 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000013713658 555591090 /nfs/dbraw/zinc/59/10/90/555591090.db2.gz GOKQVEOIHKKPNE-QHAWAJNXSA-N -1 3 483.749 5.154 50 0 JKAAHM Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000013778641 555617722 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Cc1nc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n(C[C@@H]2CCCO2)c1C ZINC000029589878 556353366 /nfs/dbraw/zinc/35/33/66/556353366.db2.gz LTMYTXGHZSIBNS-CABCVRRESA-N -1 3 456.593 5.090 50 0 JKAAHM Cc1ccc2[n-]c(C(=O)NCCCCOc3ccc(OCc4ccccc4)cc3)cc(=O)c2c1 ZINC000031579426 556399763 /nfs/dbraw/zinc/39/97/63/556399763.db2.gz YQDSACUETGYBBY-UHFFFAOYSA-N -1 3 456.542 5.005 50 0 JKAAHM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4cc(Br)ccc42)CC3)cc1 ZINC000031813444 556406876 /nfs/dbraw/zinc/40/68/76/556406876.db2.gz KHYBTHOYKGDTCE-NRFANRHFSA-N -1 3 498.402 5.247 50 0 JKAAHM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4cc(Cl)ccc42)CC3)cc1 ZINC000031814323 556407040 /nfs/dbraw/zinc/40/70/40/556407040.db2.gz FLBFTIOAQNADNG-NRFANRHFSA-N -1 3 453.951 5.137 50 0 JKAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c1 ZINC000032071080 556413318 /nfs/dbraw/zinc/41/33/18/556413318.db2.gz LTLIQOYEINBNDP-SXOMAYOGSA-N -1 3 490.003 5.363 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000032073420 556413639 /nfs/dbraw/zinc/41/36/39/556413639.db2.gz XFDSDLVOTWGJTD-UIOOFZCWSA-N -1 3 459.977 5.354 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000032095632 556415528 /nfs/dbraw/zinc/41/55/28/556415528.db2.gz YCMOQDCIWCQKSE-UIOOFZCWSA-N -1 3 477.967 5.493 50 0 JKAAHM CC(C)(C)[C@H]1CCc2c(sc3nc(-c4cc5cc(Br)ccc5oc4=O)[n-]c(=O)c32)C1 ZINC000008588363 562941378 /nfs/dbraw/zinc/94/13/78/562941378.db2.gz DSBVVDFGHJCHBX-LBPRGKRZSA-N -1 3 485.403 5.672 50 0 JKAAHM CCOc1ccc(CNCc2c3ccc(OC)cc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000008589020 562941818 /nfs/dbraw/zinc/94/18/18/562941818.db2.gz ZWJJZZASQXBZBC-UHFFFAOYSA-N -1 3 462.521 5.224 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000008592935 562943288 /nfs/dbraw/zinc/94/32/88/562943288.db2.gz JSCQDZBVBRTVNL-UHFFFAOYSA-N -1 3 497.370 6.262 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008595665 562943975 /nfs/dbraw/zinc/94/39/75/562943975.db2.gz SGFCEYJTEWNQES-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008595665 562943977 /nfs/dbraw/zinc/94/39/77/562943977.db2.gz SGFCEYJTEWNQES-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000008595661 562944023 /nfs/dbraw/zinc/94/40/23/562944023.db2.gz DRYMJQZNLKAPRO-VWLOTQADSA-N -1 3 487.943 5.665 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000008595661 562944025 /nfs/dbraw/zinc/94/40/25/562944025.db2.gz DRYMJQZNLKAPRO-VWLOTQADSA-N -1 3 487.943 5.665 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000008595659 562944065 /nfs/dbraw/zinc/94/40/65/562944065.db2.gz DRYMJQZNLKAPRO-RUZDIDTESA-N -1 3 487.943 5.665 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000008595659 562944067 /nfs/dbraw/zinc/94/40/67/562944067.db2.gz DRYMJQZNLKAPRO-RUZDIDTESA-N -1 3 487.943 5.665 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c(C)c1 ZINC000008610111 562947456 /nfs/dbraw/zinc/94/74/56/562947456.db2.gz CLRWGWQSRZWTJA-UHFFFAOYSA-N -1 3 450.608 5.250 50 0 aggregator JKAAHM O=c1[n-]c(=O)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCC1CCCCC1)N2 ZINC000008682606 562951514 /nfs/dbraw/zinc/95/15/14/562951514.db2.gz JBVFXCQZPSHHAL-UHFFFAOYSA-N -1 3 488.432 5.030 50 0 JKAAHM Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000008693876 562954477 /nfs/dbraw/zinc/95/44/77/562954477.db2.gz GTOTYNGNWAPMAA-UHFFFAOYSA-N -1 3 461.008 5.642 50 0 aggregator JKAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nc4ccccc4n3C(C)C)nc(=O)c2c1C ZINC000008706449 569594384 /nfs/dbraw/zinc/59/43/84/569594384.db2.gz BVKSOWSBIXSPLX-ZDUSSCGKSA-N -1 3 456.593 5.254 50 0 JKAAHM Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000057289904 569595647 /nfs/dbraw/zinc/59/56/47/569595647.db2.gz KOLZMRUESHLFSQ-SANMLTNESA-N -1 3 457.574 5.040 50 0 JKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008711494 569596042 /nfs/dbraw/zinc/59/60/42/569596042.db2.gz KRKPPXIAKFEESL-SFHVURJKSA-N -1 3 458.292 5.982 50 0 JKAAHM Cc1ccc(-c2csc(N3N=C(c4ccc5ccccc5c4)C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711409 569596119 /nfs/dbraw/zinc/59/61/19/569596119.db2.gz OSUXGWDEFOSLMN-QHCPKHFHSA-N -1 3 453.489 6.137 50 0 JKAAHM COc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000008722062 569598812 /nfs/dbraw/zinc/59/88/12/569598812.db2.gz LTQPMVUVXSZPIL-LBPRGKRZSA-N -1 3 454.514 5.661 50 0 JKAAHM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)cc5C)cc4)cn3)n2)cc1 ZINC000032974767 569605865 /nfs/dbraw/zinc/60/58/65/569605865.db2.gz WKAMFZWTLWCBOZ-UHFFFAOYSA-N -1 3 499.596 5.374 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1 ZINC000032974777 569605914 /nfs/dbraw/zinc/60/59/14/569605914.db2.gz JKEGSWAOSWAPSY-UHFFFAOYSA-N -1 3 485.569 5.066 50 0 JKAAHM CN(c1ccccc1)S(=O)(=O)c1c(-c2ccccc2)csc1C(=O)[N-]c1ccc(F)c(F)c1 ZINC000032984527 569607616 /nfs/dbraw/zinc/60/76/16/569607616.db2.gz MYBHUDWRMMBGHF-UHFFFAOYSA-N -1 3 484.549 5.771 50 0 JKAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1 ZINC000033274770 569622043 /nfs/dbraw/zinc/62/20/43/569622043.db2.gz FFFLRWMQRVCPNZ-UHFFFAOYSA-N -1 3 454.636 5.339 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)nc(NC2CCCCC2)n1 ZINC000064802045 569631764 /nfs/dbraw/zinc/63/17/64/569631764.db2.gz ZAPBYYLIZJTOGN-UHFFFAOYSA-N -1 3 472.014 5.727 50 0 JKAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)c(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000033732745 569632533 /nfs/dbraw/zinc/63/25/33/569632533.db2.gz WMDGHRGBINJDMS-JCYRPKCISA-N -1 3 462.933 5.098 50 0 JKAAHM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c(C)n2C)nc1C ZINC000065036556 569653435 /nfs/dbraw/zinc/65/34/35/569653435.db2.gz YSSZBEOOZBCHGF-UHFFFAOYSA-N -1 3 495.070 5.010 50 0 JKAAHM CCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)nc1 ZINC000065063541 569656821 /nfs/dbraw/zinc/65/68/21/569656821.db2.gz PURMPKDCVFQMDS-UHFFFAOYSA-N -1 3 481.618 5.403 50 0 JKAAHM CCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1 ZINC000065063529 569656860 /nfs/dbraw/zinc/65/68/60/569656860.db2.gz CFABVUNGYUTQBH-UHFFFAOYSA-N -1 3 467.591 5.328 50 0 JKAAHM CC[C@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1 ZINC000065063573 569656955 /nfs/dbraw/zinc/65/69/55/569656955.db2.gz ABHUQBAVNANZHP-SFHVURJKSA-N -1 3 481.618 5.501 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CCCC4)cn3)cc2)cc1C ZINC000065063587 569657009 /nfs/dbraw/zinc/65/70/09/569657009.db2.gz IOCHFHLAYURVOB-UHFFFAOYSA-N -1 3 479.602 5.272 50 0 JKAAHM CC(C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000065074562 569657149 /nfs/dbraw/zinc/65/71/49/569657149.db2.gz QZWSSLGUUPXFGG-UHFFFAOYSA-N -1 3 493.629 5.861 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035105633 569675055 /nfs/dbraw/zinc/67/50/55/569675055.db2.gz QATBSUGUSYASKQ-RBZFPXEDSA-N -1 3 470.392 5.545 50 0 JKAAHM O=C([O-])c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1NC(=O)C1CCCC1 ZINC000035422783 569692903 /nfs/dbraw/zinc/69/29/03/569692903.db2.gz VETQKDISURXDTK-UHFFFAOYSA-N -1 3 483.612 5.425 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc2c(c1)OCO2)CC(=O)O3 ZINC000079188713 569707004 /nfs/dbraw/zinc/70/70/04/569707004.db2.gz CINYCWKQJMPHMI-FTFNAICUSA-N -1 3 492.524 5.044 50 0 JKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc2ncccc2c1)CC(=O)O3 ZINC000079190055 569707175 /nfs/dbraw/zinc/70/71/75/569707175.db2.gz ANCJBVFGWXAAGZ-BCXIWGKMSA-N -1 3 499.563 5.863 50 0 JKAAHM CSc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079191868 569707214 /nfs/dbraw/zinc/70/72/14/569707214.db2.gz QCSIKCTWVCXWFQ-HGALLEHASA-N -1 3 494.609 6.037 50 0 JKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc2ncccc2c1)CC(=O)O3 ZINC000079190066 569707219 /nfs/dbraw/zinc/70/72/19/569707219.db2.gz ANCJBVFGWXAAGZ-RYIOUMLISA-N -1 3 499.563 5.863 50 0 JKAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C(c1ccccc1)c1ccccc1 ZINC000085432955 569711013 /nfs/dbraw/zinc/71/10/13/569711013.db2.gz WTPRFLKVBHUNJV-UHFFFAOYSA-N -1 3 495.629 6.314 50 0 JKAAHM O=c1[n-]c(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2c3ccccc3oc21 ZINC000089840931 569720113 /nfs/dbraw/zinc/72/01/13/569720113.db2.gz ADVQSNJLUBYYBX-UHFFFAOYSA-N -1 3 471.567 5.330 50 0 JKAAHM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035886876 569720733 /nfs/dbraw/zinc/72/07/33/569720733.db2.gz AWJWTMGVRJZUJX-LOSJGSFVSA-N -1 3 476.598 5.065 50 0 JKAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2OCc2cccc(F)c2)S1 ZINC000095478072 569724485 /nfs/dbraw/zinc/72/44/85/569724485.db2.gz FGZUJVZLUORXEK-AUSIDOKSSA-N -1 3 481.593 6.323 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H]3SCC(=O)N3c3ccc(F)cc3)cc2)c(C)c1 ZINC000035910271 569725565 /nfs/dbraw/zinc/72/55/65/569725565.db2.gz CAIZWQVSAUQSAM-XMMPIXPASA-N -1 3 470.591 5.330 50 0 JKAAHM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000035910973 569726179 /nfs/dbraw/zinc/72/61/79/569726179.db2.gz UGUZDDDHDFABIH-VWLOTQADSA-N -1 3 466.628 5.500 50 0 JKAAHM CCOc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000035912475 569727485 /nfs/dbraw/zinc/72/74/85/569727485.db2.gz JUMYVWRUEPKOSB-SANMLTNESA-N -1 3 496.654 5.590 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000035912500 569727523 /nfs/dbraw/zinc/72/75/23/569727523.db2.gz ZJIGRWRYMAXIOL-AREMUKBSSA-N -1 3 480.655 5.808 50 0 JKAAHM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)c(C)c1 ZINC000035912487 569727587 /nfs/dbraw/zinc/72/75/87/569727587.db2.gz DNXJSDLMDWLGDN-SANMLTNESA-N -1 3 480.655 5.808 50 0 JKAAHM COc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000035912505 569727609 /nfs/dbraw/zinc/72/76/09/569727609.db2.gz WQWWILHGVXQXFW-RUZDIDTESA-N -1 3 482.627 5.200 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(Br)c1 ZINC000098072973 569750222 /nfs/dbraw/zinc/75/02/22/569750222.db2.gz YRSXYZHWYMQCKZ-UHFFFAOYSA-N -1 3 473.108 5.340 50 0 JKAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccccc2OCCc2ccccc2)CCO1 ZINC000096117722 569735782 /nfs/dbraw/zinc/73/57/82/569735782.db2.gz QGARGWRPVRKNOW-CYFREDJKSA-N -1 3 493.629 5.115 50 0 JKAAHM COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCC(C)C ZINC000096220905 569738628 /nfs/dbraw/zinc/73/86/28/569738628.db2.gz XGASXTSNAWSUFH-OAQYLSRUSA-N -1 3 486.520 5.650 50 0 biogenic JKAAHM COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c2ccccc12 ZINC000096221331 569738844 /nfs/dbraw/zinc/73/88/44/569738844.db2.gz HRVLJPJEXIDJET-JOCHJYFZSA-N -1 3 464.473 5.768 50 0 biogenic JKAAHM O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000096222255 569739446 /nfs/dbraw/zinc/73/94/46/569739446.db2.gz MNUDQQPDKQRLFR-QGZVFWFLSA-N -1 3 453.277 5.913 50 0 biogenic JKAAHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072984 569750288 /nfs/dbraw/zinc/75/02/88/569750288.db2.gz JIQQUULGEYFSTN-UHFFFAOYSA-N -1 3 482.627 5.941 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1 ZINC000100722278 569767968 /nfs/dbraw/zinc/76/79/68/569767968.db2.gz VDJMILZIOPAUCW-CEXWTWQISA-N -1 3 478.879 5.471 50 0 JKAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000100931267 569776338 /nfs/dbraw/zinc/77/63/38/569776338.db2.gz HYGAUVLNAWWTMG-VWPQPMDRSA-N -1 3 469.324 5.053 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3[C@]2(CC)CCC(CC)=CO2)cc1 ZINC000101031215 569780158 /nfs/dbraw/zinc/78/01/58/569780158.db2.gz QJZAAVNLNNRBFQ-BVXNIFABSA-N -1 3 490.600 5.407 50 0 JKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101130330 569784047 /nfs/dbraw/zinc/78/40/47/569784047.db2.gz UWYACZATRJHYMB-NXCFDTQHSA-N -1 3 490.531 5.064 50 0 JKAAHM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C([O-])=C2ON1c1ccccc1 ZINC000101249750 569788032 /nfs/dbraw/zinc/78/80/32/569788032.db2.gz JKWILGWXNXPJPA-BDTNDASRSA-N -1 3 452.432 5.065 50 0 JKAAHM [O-]c1cc(OCCN2CCN(c3ccccc3)CC2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000039354653 569809390 /nfs/dbraw/zinc/80/93/90/569809390.db2.gz ZJWCWRFCJWPXJY-UHFFFAOYSA-N -1 3 474.992 5.304 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1Cl ZINC000102702898 569816184 /nfs/dbraw/zinc/81/61/84/569816184.db2.gz ONSLCKWIYPZTSG-BHIFYINESA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1C ZINC000102700116 569816216 /nfs/dbraw/zinc/81/62/16/569816216.db2.gz VKVKBVQYPQPHFH-YTFSRNRJSA-N -1 3 477.358 5.117 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707840 569816879 /nfs/dbraw/zinc/81/68/79/569816879.db2.gz AFWXVGVLMNSEKH-CCDWMCETSA-N -1 3 488.465 5.910 50 0 JKAAHM COc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000102711469 569817029 /nfs/dbraw/zinc/81/70/29/569817029.db2.gz ZSJCBQVUEYXRDB-CJFMBICVSA-N -1 3 463.537 6.194 50 0 JKAAHM COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000102711467 569817049 /nfs/dbraw/zinc/81/70/49/569817049.db2.gz ZSJCBQVUEYXRDB-NLFFAJNJSA-N -1 3 463.537 6.194 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000102724713 569817507 /nfs/dbraw/zinc/81/75/07/569817507.db2.gz CYFFLCICLQOQOT-ISJGIBHGSA-N -1 3 454.913 5.544 50 0 JKAAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102723718 569817524 /nfs/dbraw/zinc/81/75/24/569817524.db2.gz COLRNCLXYGUNNM-YPAWHYETSA-N -1 3 469.324 5.053 50 0 JKAAHM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102727103 569817685 /nfs/dbraw/zinc/81/76/85/569817685.db2.gz XQOMMHZCPXMMNP-YTFSRNRJSA-N -1 3 499.350 5.062 50 0 JKAAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102728901 569817981 /nfs/dbraw/zinc/81/79/81/569817981.db2.gz RSYSVVPXMQQROL-DNVJHFABSA-N -1 3 467.352 5.607 50 0 JKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102736446 569818574 /nfs/dbraw/zinc/81/85/74/569818574.db2.gz LSOWSSNQULASJV-DNVJHFABSA-N -1 3 499.350 5.062 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102740522 569819114 /nfs/dbraw/zinc/81/91/14/569819114.db2.gz QUENEMRYTACVHE-CCDWMCETSA-N -1 3 489.358 6.198 50 0 JKAAHM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000102742551 569819315 /nfs/dbraw/zinc/81/93/15/569819315.db2.gz IBYZXIMWJRVOOK-MQSCRBSSSA-N -1 3 499.350 5.062 50 0 JKAAHM COc1cc([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccc(Cl)cc4)CC(=O)C32)cc(OC)c1OC ZINC000102749294 569820699 /nfs/dbraw/zinc/82/06/99/569820699.db2.gz BWPQHDCQTMSJAO-YEJXKQKISA-N -1 3 482.924 5.378 50 0 JKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102749786 569820792 /nfs/dbraw/zinc/82/07/92/569820792.db2.gz PCHRNFDRVIKOHO-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102751136 569820939 /nfs/dbraw/zinc/82/09/39/569820939.db2.gz VFGVPJFOWZWFSG-KKUQBAQOSA-N -1 3 454.570 5.652 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c(C)c1 ZINC000102752177 569820948 /nfs/dbraw/zinc/82/09/48/569820948.db2.gz HBQJJBSTVTVRNC-DNVJHFABSA-N -1 3 477.358 5.117 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1C ZINC000102755743 569821344 /nfs/dbraw/zinc/82/13/44/569821344.db2.gz WQTMRVXPDUQCJJ-DNVJHFABSA-N -1 3 467.352 5.661 50 0 JKAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102758066 569821520 /nfs/dbraw/zinc/82/15/20/569821520.db2.gz IXBALEIDQQGARE-YPAWHYETSA-N -1 3 469.324 5.053 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102757255 569821606 /nfs/dbraw/zinc/82/16/06/569821606.db2.gz LQZRBGXDTNKSHL-RJGXRXQPSA-N -1 3 490.346 5.593 50 0 JKAAHM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000102763734 569822694 /nfs/dbraw/zinc/82/26/94/569822694.db2.gz RBBCIPDUDXIEHR-YPAWHYETSA-N -1 3 452.432 5.065 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102765688 569822826 /nfs/dbraw/zinc/82/28/26/569822826.db2.gz XIPBWSMXBRJSGS-RJGXRXQPSA-N -1 3 467.352 5.661 50 0 JKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000103002694 569831465 /nfs/dbraw/zinc/83/14/65/569831465.db2.gz VAWKIFVVJANQRK-YPAWHYETSA-N -1 3 469.324 5.053 50 0 JKAAHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=C3CCCC3)C(=O)N4C)cc2)CC1 ZINC000045895280 569840110 /nfs/dbraw/zinc/84/01/10/569840110.db2.gz FXLQJEKQIWDRSF-UHFFFAOYSA-N -1 3 465.619 5.028 50 0 JKAAHM [O-]c1csc(N2N=C3C(=Cc4ccc(Cl)cc4)CCC[C@H]3[C@@H]2c2ccc(Cl)cc2)n1 ZINC000051329682 569851706 /nfs/dbraw/zinc/85/17/06/569851706.db2.gz NMRUTKPFVSXXCK-SKXMAYPPSA-N -1 3 456.398 6.219 50 0 JKAAHM COc1ccc(-c2nn(-c3ccccc3C)c3c2c(C)cc([O-])c3CC(=O)Nc2ccccc2C)cc1 ZINC000112343148 569861306 /nfs/dbraw/zinc/86/13/06/569861306.db2.gz DZJHYYNISBLZHF-UHFFFAOYSA-N -1 3 491.591 6.513 50 0 JKAAHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c(C)c1 ZINC000136042110 569864507 /nfs/dbraw/zinc/86/45/07/569864507.db2.gz JFEJDPZSSDQMOB-OEMFJLHTSA-N -1 3 491.385 5.425 50 0 JKAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000136063468 569864533 /nfs/dbraw/zinc/86/45/33/569864533.db2.gz PXSBOFFPANTTHJ-RJGXRXQPSA-N -1 3 467.352 5.607 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000137795893 569865254 /nfs/dbraw/zinc/86/52/54/569865254.db2.gz DARZNMVGTHKPQI-FDFHNCONSA-N -1 3 453.325 5.353 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000137801015 569865269 /nfs/dbraw/zinc/86/52/69/569865269.db2.gz WAPOCQCSDFBCDR-IRFCIJBXSA-N -1 3 473.743 5.698 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3Cc2ccccc2)cc1 ZINC000137799458 569865304 /nfs/dbraw/zinc/86/53/04/569865304.db2.gz IPFLJDRUQGGQBC-GMQQYTKMSA-N -1 3 470.569 5.177 50 0 JKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000137806653 569865363 /nfs/dbraw/zinc/86/53/63/569865363.db2.gz OTRMFXSWOBENJI-BHDDXSALSA-N -1 3 486.877 5.718 50 0 JKAAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000137886417 569865422 /nfs/dbraw/zinc/86/54/22/569865422.db2.gz FPSDNMWJSNNGOE-RJGXRXQPSA-N -1 3 483.351 5.443 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000137859075 569865459 /nfs/dbraw/zinc/86/54/59/569865459.db2.gz HKWRSWSGKMZKGC-PCCBWWKXSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000137952577 569865514 /nfs/dbraw/zinc/86/55/14/569865514.db2.gz IDXWPVHIESARKE-PWRODBHTSA-N -1 3 472.850 5.410 50 0 JKAAHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000170626720 569873427 /nfs/dbraw/zinc/87/34/27/569873427.db2.gz XHLFDSIVLIXIJJ-AWEZNQCLSA-N -1 3 481.426 5.914 50 0 JKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N12 ZINC000226838357 570038779 /nfs/dbraw/zinc/03/87/79/570038779.db2.gz VJCOJKUPZDCPIP-OSSDZZHWSA-N -1 3 482.967 5.292 50 0 JKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000226841656 570038989 /nfs/dbraw/zinc/03/89/89/570038989.db2.gz FYVWOXLHBWEHRJ-XZSHTLEFSA-N -1 3 494.566 5.414 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000226931976 570039564 /nfs/dbraw/zinc/03/95/64/570039564.db2.gz QFJKRRSVWVMFHB-PCCBWWKXSA-N -1 3 483.749 5.154 50 0 JKAAHM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000226987777 570039717 /nfs/dbraw/zinc/03/97/17/570039717.db2.gz XGKXKPRQITVARF-TUNNFDKTSA-N -1 3 469.324 5.053 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000229956291 570042704 /nfs/dbraw/zinc/04/27/04/570042704.db2.gz AFWXVGVLMNSEKH-ISJGIBHGSA-N -1 3 488.465 5.910 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000229984606 570042975 /nfs/dbraw/zinc/04/29/75/570042975.db2.gz ZJEZDPAHFJVQDT-RBZQAINGSA-N -1 3 462.571 5.368 50 0 JKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000230024632 570043764 /nfs/dbraw/zinc/04/37/64/570043764.db2.gz JVAPSYWNJQZRSO-YTFSRNRJSA-N -1 3 483.351 5.443 50 0 JKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000230056910 570044069 /nfs/dbraw/zinc/04/40/69/570044069.db2.gz DLMAWDOBBYYXGS-YTFSRNRJSA-N -1 3 482.458 5.155 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1 ZINC000245309127 570062819 /nfs/dbraw/zinc/06/28/19/570062819.db2.gz BLEWUOTVXDZSIJ-WXFUMESZSA-N -1 3 462.933 5.180 50 0 JKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245310362 570063263 /nfs/dbraw/zinc/06/32/63/570063263.db2.gz ILMPGOMHZRFJFW-DNVJHFABSA-N -1 3 483.351 5.443 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000245324860 570064109 /nfs/dbraw/zinc/06/41/09/570064109.db2.gz ATXDEDKBOFKTTG-UBFVSLLYSA-N -1 3 460.505 5.056 50 0 JKAAHM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000245328562 570065864 /nfs/dbraw/zinc/06/58/64/570065864.db2.gz VEZFHJVGNZZXTO-IODBPXAYSA-N -1 3 450.579 5.370 50 0 JKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247873859 570070481 /nfs/dbraw/zinc/07/04/81/570070481.db2.gz RZUGCPXSWKNNQI-BYBRNZAOSA-N -1 3 486.527 5.136 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2ccc(Br)o2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000000667180 193886202 /nfs/dbraw/zinc/88/62/02/193886202.db2.gz WPUXCLCJMXPIOG-CQSZACIVSA-N -1 3 474.376 5.805 50 0 JKAAHM Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000000892326 193952824 /nfs/dbraw/zinc/95/28/24/193952824.db2.gz IPCGSESVZOBJFB-UHFFFAOYSA-N -1 3 464.978 5.392 50 0 JKAAHM CCN(CC)C(=O)c1sc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)c(C(=O)OC)c1C ZINC000000997708 194000175 /nfs/dbraw/zinc/00/01/75/194000175.db2.gz MJTXMMDQEDPOEN-UHFFFAOYSA-N -1 3 489.981 5.194 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)c(C)c1 ZINC000001003643 194001731 /nfs/dbraw/zinc/00/17/31/194001731.db2.gz BJSZUEQYVBOSEM-UHFFFAOYSA-N -1 3 473.392 5.427 50 0 JKAAHM O=C([N-]c1ccc(F)cc1F)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001013681 194003354 /nfs/dbraw/zinc/00/33/54/194003354.db2.gz GJMKGWOUEQETGW-UHFFFAOYSA-N -1 3 458.799 5.661 50 0 JKAAHM COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1[O-] ZINC000001013948 194003488 /nfs/dbraw/zinc/00/34/88/194003488.db2.gz AHTKWNSDOPKYJS-QPEQYQDCSA-N -1 3 485.153 5.167 50 0 JKAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000001072696 194016566 /nfs/dbraw/zinc/01/65/66/194016566.db2.gz CQEPVZZQPFQPHU-UHFFFAOYSA-N -1 3 478.492 5.141 50 0 JKAAHM CCOc1ccc([C@@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000001100584 194024054 /nfs/dbraw/zinc/02/40/54/194024054.db2.gz PVZHYBGRBZTSSA-OAQYLSRUSA-N -1 3 463.515 5.057 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)cc1 ZINC000001113144 194028458 /nfs/dbraw/zinc/02/84/58/194028458.db2.gz ISRWIBMEXYTIKR-UHFFFAOYSA-N -1 3 458.539 5.840 50 0 JKAAHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000001109311 194026706 /nfs/dbraw/zinc/02/67/06/194026706.db2.gz XIKBTENCAQCPAS-GOSISDBHSA-N -1 3 468.575 5.027 50 0 JKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 ZINC000001120211 194033265 /nfs/dbraw/zinc/03/32/65/194033265.db2.gz MNGUYZSKVVXYSH-UHFFFAOYSA-N -1 3 468.575 5.027 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1Br ZINC000001137656 194042780 /nfs/dbraw/zinc/04/27/80/194042780.db2.gz HVRMSHLJZOTBKS-UHFFFAOYSA-N -1 3 464.406 5.551 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000001153430 194051836 /nfs/dbraw/zinc/05/18/36/194051836.db2.gz XKZYMVRHKISONO-MRXNPFEDSA-N -1 3 493.412 5.817 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000001153431 194052009 /nfs/dbraw/zinc/05/20/09/194052009.db2.gz XKZYMVRHKISONO-INIZCTEOSA-N -1 3 493.412 5.817 50 0 JKAAHM O=C([N-]c1ccc(F)cc1F)c1sccc1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000001393183 194114598 /nfs/dbraw/zinc/11/45/98/194114598.db2.gz NEFKKYWEIWUIQX-UHFFFAOYSA-N -1 3 462.326 5.559 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(C)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404648 194115426 /nfs/dbraw/zinc/11/54/26/194115426.db2.gz SCRSGNFXQDDBAG-VWLOTQADSA-N -1 3 488.385 6.296 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(C)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404648 194115428 /nfs/dbraw/zinc/11/54/28/194115428.db2.gz SCRSGNFXQDDBAG-VWLOTQADSA-N -1 3 488.385 6.296 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404689 194115436 /nfs/dbraw/zinc/11/54/36/194115436.db2.gz SAYUIHOANLBRDH-XMMPIXPASA-N -1 3 490.357 5.693 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404689 194115439 /nfs/dbraw/zinc/11/54/39/194115439.db2.gz SAYUIHOANLBRDH-XMMPIXPASA-N -1 3 490.357 5.693 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2cccs2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404738 194115458 /nfs/dbraw/zinc/11/54/58/194115458.db2.gz GWVVSXLNUPXCJQ-QFIPXVFZSA-N -1 3 480.387 6.049 50 0 aggregator JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2cccs2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404738 194115461 /nfs/dbraw/zinc/11/54/61/194115461.db2.gz GWVVSXLNUPXCJQ-QFIPXVFZSA-N -1 3 480.387 6.049 50 0 aggregator JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(F)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404609 194115488 /nfs/dbraw/zinc/11/54/88/194115488.db2.gz NUMFCNLTUPWLOA-XMMPIXPASA-N -1 3 492.348 6.127 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(F)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404609 194115491 /nfs/dbraw/zinc/11/54/91/194115491.db2.gz NUMFCNLTUPWLOA-XMMPIXPASA-N -1 3 492.348 6.127 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000001422285 194118170 /nfs/dbraw/zinc/11/81/70/194118170.db2.gz ZCBHPHLIXLWPRG-VWLOTQADSA-N -1 3 471.488 5.151 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000001422285 194118173 /nfs/dbraw/zinc/11/81/73/194118173.db2.gz ZCBHPHLIXLWPRG-VWLOTQADSA-N -1 3 471.488 5.151 50 0 JKAAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000001423473 194118353 /nfs/dbraw/zinc/11/83/53/194118353.db2.gz OACPZDRXXJNAMO-JOCHJYFZSA-N -1 3 482.740 6.382 50 0 JKAAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000001423473 194118355 /nfs/dbraw/zinc/11/83/55/194118355.db2.gz OACPZDRXXJNAMO-JOCHJYFZSA-N -1 3 482.740 6.382 50 0 JKAAHM [O-]c1cc2ccccc2cc1-c1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000001816437 194145705 /nfs/dbraw/zinc/14/57/05/194145705.db2.gz NMOBZDGLDXOVCO-UHFFFAOYSA-N -1 3 454.489 6.730 50 0 JKAAHM O=C1Nc2ccc(Cl)cc2[C@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3F)nc1O2 ZINC000002094413 194157000 /nfs/dbraw/zinc/15/70/00/194157000.db2.gz DZFFJXWRIOZAFE-XMMPIXPASA-N -1 3 491.935 5.233 50 0 biogenic JKAAHM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000002211681 194158280 /nfs/dbraw/zinc/15/82/80/194158280.db2.gz QHTLEEMQLOJYSR-HNNXBMFYSA-N -1 3 477.611 5.973 50 0 JKAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000002704016 194164274 /nfs/dbraw/zinc/16/42/74/194164274.db2.gz LSFCVBXVCGHBKI-OAQYLSRUSA-N -1 3 492.325 5.015 50 0 JKAAHM O=C1Nc2ccc(F)cc2[C@@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3Cl)nc1O2 ZINC000002978046 194191800 /nfs/dbraw/zinc/19/18/00/194191800.db2.gz FWARKQAKPIPKQZ-DEOSSOPVSA-N -1 3 491.935 5.233 50 0 biogenic JKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000003011408 194204712 /nfs/dbraw/zinc/20/47/12/194204712.db2.gz WQFCVTGAOFUDLL-SUMWQHHRSA-N -1 3 471.266 5.808 50 0 JKAAHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2F)cc1 ZINC000003031007 194212707 /nfs/dbraw/zinc/21/27/07/194212707.db2.gz BQEDUYXXTPSWFC-UHFFFAOYSA-N -1 3 467.349 5.172 50 0 JKAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000003017006 194207478 /nfs/dbraw/zinc/20/74/78/194207478.db2.gz UZYUUAHBPAZYDI-UHFFFAOYSA-N -1 3 490.606 5.656 50 0 JKAAHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)cc1 ZINC000003021935 194208990 /nfs/dbraw/zinc/20/89/90/194208990.db2.gz XKHXHJXYUOWSOU-UHFFFAOYSA-N -1 3 467.349 5.172 50 0 JKAAHM Fc1ccc(COc2ccsc2-c2n[n-]c(COc3ccc(Cl)cc3Cl)n2)cc1 ZINC000003128626 194229273 /nfs/dbraw/zinc/22/92/73/194229273.db2.gz YUAGNXKICWEKAH-UHFFFAOYSA-N -1 3 450.322 6.137 50 0 JKAAHM O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003213712 194240034 /nfs/dbraw/zinc/24/00/34/194240034.db2.gz NJMZNQQHTUMTRN-UHFFFAOYSA-N -1 3 498.866 5.141 50 0 JKAAHM CCN(Cc1ccccc1)Cn1c2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2oc1=S ZINC000003230783 194245813 /nfs/dbraw/zinc/24/58/13/194245813.db2.gz LTRIVPFMTPIILL-UHFFFAOYSA-N -1 3 488.034 5.898 50 0 JKAAHM O=C(OCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000003266836 194256784 /nfs/dbraw/zinc/25/67/84/194256784.db2.gz WIQABKWLMHNYNI-UHFFFAOYSA-N -1 3 484.788 5.482 50 0 JKAAHM C[C@H]1CCc2c(sc3[n-]c(COC(=O)C(=Cc4cccs4)c4cccs4)nc(=O)c23)C1 ZINC000003300163 194272176 /nfs/dbraw/zinc/27/21/76/194272176.db2.gz UAJFVYJTBQHWRM-XDUBLRSXSA-N -1 3 468.625 5.516 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2Cl)csc1[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000003315195 194278239 /nfs/dbraw/zinc/27/82/39/194278239.db2.gz RJXLJMDRRAZFJE-UHFFFAOYSA-N -1 3 498.050 7.927 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4cccnc4)n3[C@@H]3CCCC[C@H]3C)nc(=O)c2c1C ZINC000003332838 194286401 /nfs/dbraw/zinc/28/64/01/194286401.db2.gz JKHVORWAEVWPHG-CXAGYDPISA-N -1 3 494.646 5.193 50 0 JKAAHM CCC(C)(C)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 ZINC000003333277 194286655 /nfs/dbraw/zinc/28/66/55/194286655.db2.gz JVYFQQJETOSZNP-UHFFFAOYSA-N -1 3 465.659 7.573 50 0 JKAAHM Cc1csc(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)n1 ZINC000003346794 194293632 /nfs/dbraw/zinc/29/36/32/194293632.db2.gz NPHMOWSXNNWVOU-UHFFFAOYSA-N -1 3 456.618 5.219 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]c1nc2ccccc2nc1Nc1ccc(C)c(C)c1 ZINC000003339876 194290002 /nfs/dbraw/zinc/29/00/02/194290002.db2.gz GBGZHIOOTLHIKG-UHFFFAOYSA-N -1 3 494.620 7.639 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)c(C)c1 ZINC000003612895 194340890 /nfs/dbraw/zinc/34/08/90/194340890.db2.gz GNYKBONGUOHNHE-UHFFFAOYSA-N -1 3 493.025 5.769 50 0 JKAAHM [O-]c1ccc(Br)c([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000003640736 194346828 /nfs/dbraw/zinc/34/68/28/194346828.db2.gz LQGCZLUDNMMUSW-OAQYLSRUSA-N -1 3 493.386 5.802 50 0 JKAAHM [O-]c1ccc(Br)c([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000003640738 194346970 /nfs/dbraw/zinc/34/69/70/194346970.db2.gz LQGCZLUDNMMUSW-NRFANRHFSA-N -1 3 493.386 5.802 50 0 JKAAHM CN1c2ccccc2C(C)(C)[C@]12Cc1cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc1O2 ZINC000009861230 195001767 /nfs/dbraw/zinc/00/17/67/195001767.db2.gz LTFGQJPVHMDLGI-XMMPIXPASA-N -1 3 499.430 5.309 50 0 JKAAHM Cc1cc(C)c([N-]c2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)s2)c(Cl)c1 ZINC000009884241 195012938 /nfs/dbraw/zinc/01/29/38/195012938.db2.gz MGJQBTMFJBFACY-UHFFFAOYSA-N -1 3 476.027 5.091 50 0 JKAAHM O=C([O-])c1c(CN[C@H]2CCCc3ccccc32)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009969066 195042167 /nfs/dbraw/zinc/04/21/67/195042167.db2.gz JXYBQEXJJUZHHJ-DEOSSOPVSA-N -1 3 462.952 6.348 50 0 JKAAHM Cc1cc2nc(-c3cc(NC(=O)c4cncc(Br)c4)cc(C)c3[O-])oc2cc1C ZINC000012651596 195076125 /nfs/dbraw/zinc/07/61/25/195076125.db2.gz VOZWZHXDCRYYCR-UHFFFAOYSA-N -1 3 452.308 5.535 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)ccc2C)cc1 ZINC000012631085 195063238 /nfs/dbraw/zinc/06/32/38/195063238.db2.gz FEYPKKBWOPDZOA-QGZVFWFLSA-N -1 3 495.626 5.247 50 0 JKAAHM CCN(Cc1cccs1)C(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000012747510 195103435 /nfs/dbraw/zinc/10/34/35/195103435.db2.gz UOBFRGLCCYKYJN-SDNWHVSQSA-N -1 3 461.008 5.264 50 0 JKAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000012756534 195108672 /nfs/dbraw/zinc/10/86/72/195108672.db2.gz SHEFKNCRGXRVEV-RXVVDRJESA-N -1 3 489.666 5.507 50 0 JKAAHM CCOc1cc2c(cc1CN[C@H](C)c1nc(=O)c3c(-c4cccs4)csc3[n-]1)O[C@H](C)C2 ZINC000012769837 195116633 /nfs/dbraw/zinc/11/66/33/195116633.db2.gz CZXNSCWUBBGTJO-ZIAGYGMSSA-N -1 3 467.616 5.286 50 0 JKAAHM O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012772915 195119056 /nfs/dbraw/zinc/11/90/56/195119056.db2.gz ITMRLPRPHZIRFB-UHFFFAOYSA-N -1 3 479.783 5.085 50 0 JKAAHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000012788885 195130168 /nfs/dbraw/zinc/13/01/68/195130168.db2.gz PJPDPGWQWNTDPU-UHFFFAOYSA-N -1 3 473.332 5.057 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(-c5ccc(C(C)(C)C)cc5)o4)nc(=O)c23)s1 ZINC000012794628 195134829 /nfs/dbraw/zinc/13/48/29/195134829.db2.gz MYGWUTDTHMSNLJ-UHFFFAOYSA-N -1 3 494.667 6.661 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(NC5CCCCC5)s4)nc(=O)c23)s1 ZINC000012796554 195136257 /nfs/dbraw/zinc/13/62/57/195136257.db2.gz SJSUIODFXAECJY-UHFFFAOYSA-N -1 3 475.690 5.910 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(-c5c[nH]c6ccccc65)o4)nc(=O)c23)s1 ZINC000012848218 195153232 /nfs/dbraw/zinc/15/32/32/195153232.db2.gz LAUQJQSXTZSCDO-UHFFFAOYSA-N -1 3 477.596 5.845 50 0 JKAAHM CCC(=O)N(c1nnc(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)s1)C1CC1 ZINC000012851746 195154948 /nfs/dbraw/zinc/15/49/48/195154948.db2.gz XCSLGMXBDCPDJE-GFCCVEGCSA-N -1 3 483.644 5.262 50 0 JKAAHM CCN(CC(=O)Nc1c(F)cccc1F)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000012853909 195156316 /nfs/dbraw/zinc/15/63/16/195156316.db2.gz PFVZYBOIGOZRKU-UHFFFAOYSA-N -1 3 482.556 5.007 50 0 JKAAHM CN(Cc1ccc(Br)cc1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000012871568 195163914 /nfs/dbraw/zinc/16/39/14/195163914.db2.gz UTSKCSVYBPLIBX-UHFFFAOYSA-N -1 3 458.356 5.185 50 0 JKAAHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(F)cc1Cl 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CCCOC(=O)c1c(-c2ccc(OCC)cc2)csc1[N-]C(=O)c1ccc(Br)o1 ZINC000002101337 554042594 /nfs/dbraw/zinc/04/25/94/554042594.db2.gz DDYJADGWAMNNGG-UHFFFAOYSA-N -1 3 478.364 5.988 50 0 JKAAHM CC[C@@H]1CCc2c(sc([N-]C(=O)c3sc4cccc(Cl)c4c3Cl)c2C(=O)OC)C1 ZINC000002107754 554047609 /nfs/dbraw/zinc/04/76/09/554047609.db2.gz HVGPUAJUWPKVFO-SNVBAGLBSA-N -1 3 468.427 6.823 50 0 JKAAHM Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000002120979 554055905 /nfs/dbraw/zinc/05/59/05/554055905.db2.gz NXEUNOWMLXNIQT-UHFFFAOYSA-N -1 3 459.354 6.302 50 0 JKAAHM CCOc1ccccc1NC(=O)c1c2c(sc1[N-]C(=O)C(F)(F)F)C[C@@H](C(C)(C)C)CC2 ZINC000002182406 554080950 /nfs/dbraw/zinc/08/09/50/554080950.db2.gz JRNMEWWXYNVONC-ZDUSSCGKSA-N -1 3 468.541 6.051 50 0 JKAAHM Cc1oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)OCc1ccccc1 ZINC000002184855 554082304 /nfs/dbraw/zinc/08/23/04/554082304.db2.gz LMKVRALHABWRPZ-UHFFFAOYSA-N -1 3 463.555 5.824 50 0 JKAAHM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 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Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)c(C)c1 ZINC000002846191 554376060 /nfs/dbraw/zinc/37/60/60/554376060.db2.gz VNEPADPJYPGKOX-UHFFFAOYSA-N -1 3 472.994 5.392 50 0 JKAAHM CCOc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1 ZINC000002855447 554382566 /nfs/dbraw/zinc/38/25/66/554382566.db2.gz ZJIMPWHUUZNZCE-UHFFFAOYSA-N -1 3 453.564 5.455 50 0 JKAAHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4Cl)cc(C)c3[O-])nc2c1 ZINC000002865882 554391796 /nfs/dbraw/zinc/39/17/96/554391796.db2.gz FKZKKTHJZWJLDI-UHFFFAOYSA-N -1 3 479.989 6.160 50 0 JKAAHM O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccc3F)c(O)c2)cc1[O-])c1ccccc1F ZINC000002876536 554398643 /nfs/dbraw/zinc/39/86/43/554398643.db2.gz WMOUBCIWPJCKOT-UHFFFAOYSA-N -1 3 474.463 5.471 50 0 JKAAHM COc1cc2c3c(Cc4ccccc4)nn(-c4ccccc4)c3nc(-c3ccccc3[O-])c2cc1OC ZINC000002878829 554400558 /nfs/dbraw/zinc/40/05/58/554400558.db2.gz MAVSKNWQQPYXKN-UHFFFAOYSA-N -1 3 487.559 6.554 50 0 JKAAHM O=C(Nc1cc(Br)ccc1[O-])c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002879531 554400771 /nfs/dbraw/zinc/40/07/71/554400771.db2.gz QGXCCVKYYBLXSP-SWLSCSKDSA-N -1 3 487.301 5.325 50 0 JKAAHM O=C(Nc1cc(Br)ccc1[O-])c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000002879528 554400798 /nfs/dbraw/zinc/40/07/98/554400798.db2.gz QGXCCVKYYBLXSP-DOMZBBRYSA-N -1 3 487.301 5.325 50 0 JKAAHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4ncccc4o3)ccc2Cl)c(F)c1F ZINC000002879678 554401138 /nfs/dbraw/zinc/40/11/38/554401138.db2.gz KYRXDJZJTHPLPJ-UHFFFAOYSA-N -1 3 451.763 5.361 50 0 JKAAHM CCOc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc(OCC)c1OCC ZINC000002935606 554412287 /nfs/dbraw/zinc/41/22/87/554412287.db2.gz NQVVDVZJBGTHAX-UHFFFAOYSA-N -1 3 478.570 6.117 50 0 JKAAHM Cc1c(C(=O)[N-]c2c(F)cccc2F)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937627 554412319 /nfs/dbraw/zinc/41/23/19/554412319.db2.gz VPBYZGLYJOXSHU-UHFFFAOYSA-N -1 3 466.557 6.730 50 0 JKAAHM 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O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc2ccccc2o1 ZINC000009373040 555134319 /nfs/dbraw/zinc/13/43/19/555134319.db2.gz FPQGEVUYLJJNLO-UHFFFAOYSA-N -1 3 461.326 5.793 50 0 JKAAHM CC(=O)c1ccc(NC(=S)Nc2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)ccc2C)cc1 ZINC000009373183 555134728 /nfs/dbraw/zinc/13/47/28/555134728.db2.gz MXOIRJIRAWCWMR-UHFFFAOYSA-N -1 3 467.616 5.424 50 0 JKAAHM COc1cccc2sc([N-]c3sc4c(c3-c3nc5ccccc5s3)CC[C@@H](C)C4)nc21 ZINC000009381957 555145416 /nfs/dbraw/zinc/14/54/16/555145416.db2.gz VCBVJRQLLLXARW-CYBMUJFWSA-N -1 3 463.653 7.512 50 0 JKAAHM COc1ccc2nc([N-]c3sc4c(c3-c3nc5ccccc5s3)CC[C@@H](C)C4)sc2c1 ZINC000009381964 555145717 /nfs/dbraw/zinc/14/57/17/555145717.db2.gz AWRYNFNDGLHZMR-CYBMUJFWSA-N -1 3 463.653 7.512 50 0 JKAAHM C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009390389 555151097 /nfs/dbraw/zinc/15/10/97/555151097.db2.gz WYMKOVWZVIPQSE-GFCCVEGCSA-N -1 3 466.979 5.134 50 0 JKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])c1-c1ccc2c(c1)OCCO2 ZINC000009409618 555174583 /nfs/dbraw/zinc/17/45/83/555174583.db2.gz PKSZRKWDIRLDOX-UHFFFAOYSA-N -1 3 493.357 5.870 50 0 JKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1[O-] ZINC000009409804 555175082 /nfs/dbraw/zinc/17/50/82/555175082.db2.gz FZOCYDQWQNOYOU-UHFFFAOYSA-N -1 3 476.401 6.041 50 0 JKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(Br)cc2)cc1[O-] ZINC000009409802 555175184 /nfs/dbraw/zinc/17/51/84/555175184.db2.gz IFFARPZHAVDVGL-UHFFFAOYSA-N -1 3 466.331 6.373 50 0 JKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1OC ZINC000009410795 555177615 /nfs/dbraw/zinc/17/76/15/555177615.db2.gz XXFBMKQOLBTYLN-UHFFFAOYSA-N -1 3 450.922 6.007 50 0 JKAAHM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000009414360 555181468 /nfs/dbraw/zinc/18/14/68/555181468.db2.gz GIZPAMSHKHNRDB-UHFFFAOYSA-N -1 3 485.323 6.261 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000009428118 555193685 /nfs/dbraw/zinc/19/36/85/555193685.db2.gz IWVMXDZNASXNLL-UBFVSLLYSA-N -1 3 489.358 6.198 50 0 JKAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])NCC1(c2ccccc2)CCOCC1 ZINC000009462996 555232414 /nfs/dbraw/zinc/23/24/14/555232414.db2.gz FWRIJBHAMIRECQ-HSZRJFAPSA-N -1 3 494.429 5.541 50 0 JKAAHM COc1ccc(NC(=O)[C@@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)cc1Cl ZINC000009465245 555239005 /nfs/dbraw/zinc/23/90/05/555239005.db2.gz YYNHYUDRBYGNRG-SFHVURJKSA-N -1 3 456.980 5.667 50 0 JKAAHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)[C@@H]1C ZINC000009490248 555265453 /nfs/dbraw/zinc/26/54/53/555265453.db2.gz PIKZISIZVUJQSI-VPZZIHKRSA-N -1 3 473.397 5.488 50 0 JKAAHM CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3nnc(SCc4ccc(F)cc4)s3)o2)cc1 ZINC000009492355 555271927 /nfs/dbraw/zinc/27/19/27/555271927.db2.gz UXBDVRCKVHKGKS-UHFFFAOYSA-N -1 3 453.520 5.684 50 0 JKAAHM Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000009496858 555281397 /nfs/dbraw/zinc/28/13/97/555281397.db2.gz NLTOIYLZXFBHOM-UHFFFAOYSA-N -1 3 495.532 5.063 50 0 JKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2)c1c(F)cccc1Cl ZINC000009518515 555313550 /nfs/dbraw/zinc/31/35/50/555313550.db2.gz CAEQUHDKRNKRGQ-UHFFFAOYSA-N -1 3 466.852 5.501 50 0 JKAAHM CCOc1cc(CNCc2c3ccccc3n(Cc3ccc(OC)cc3)c2C(=O)[O-])ccc1OC ZINC000009531514 555326404 /nfs/dbraw/zinc/32/64/04/555326404.db2.gz ABVAVOQBPPZISA-UHFFFAOYSA-N -1 3 474.557 5.094 50 0 JKAAHM CCOc1ccc(CNCc2c3ccccc3n(Cc3ccc(Cl)cc3)c2C(=O)[O-])cc1OC ZINC000009531378 555326430 /nfs/dbraw/zinc/32/64/30/555326430.db2.gz SUJATIHMLMAKPV-UHFFFAOYSA-N -1 3 478.976 5.738 50 0 JKAAHM COc1ccc(Br)cc1CNCc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000009531345 555326432 /nfs/dbraw/zinc/32/64/32/555326432.db2.gz OUUSNEFDCMCAEU-UHFFFAOYSA-N -1 3 497.364 5.588 50 0 JKAAHM COc1ccc2c(CNCc3cccc(Cl)c3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532459 555327502 /nfs/dbraw/zinc/32/75/02/555327502.db2.gz YOZSIXAEGWJSBO-UHFFFAOYSA-N -1 3 452.913 5.479 50 0 JKAAHM COc1ccc2c(CNCc3ccc(OC(C)C)cc3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532455 555327506 /nfs/dbraw/zinc/32/75/06/555327506.db2.gz YRKQNQMYKZEATE-UHFFFAOYSA-N -1 3 472.585 5.782 50 0 JKAAHM COc1ccc2c(CNCc3ccc(Cl)cc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532467 555327510 /nfs/dbraw/zinc/32/75/10/555327510.db2.gz VRMSXTIDJDURNX-UHFFFAOYSA-N -1 3 452.913 5.479 50 0 JKAAHM O=c1nc(CSc2ccc3c(c2)OCCO3)[n-]c2scc(-c3ccc(Br)cc3)c21 ZINC000009544655 555336529 /nfs/dbraw/zinc/33/65/29/555336529.db2.gz NBRPTVDQRTYBRI-UHFFFAOYSA-N -1 3 487.400 5.478 50 0 JKAAHM C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000009635332 555342576 /nfs/dbraw/zinc/34/25/76/555342576.db2.gz VOXCFGGZLCASKA-QGZVFWFLSA-N -1 3 463.534 5.219 50 0 JKAAHM CCOC(=O)N1CCc2c(sc([N-]C(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 ZINC000009639149 555348568 /nfs/dbraw/zinc/34/85/68/555348568.db2.gz GXANZFYOEWAQGX-UHFFFAOYSA-N -1 3 478.979 5.170 50 0 JKAAHM O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)c1)c1cccs1 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/nfs/dbraw/zinc/38/81/42/555388142.db2.gz HTSGKJQDMSTCGS-JOCHJYFZSA-N -1 3 461.366 5.600 50 0 JKAAHM [O-]c1c(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)ccc2ccccc21 ZINC000009583858 555392022 /nfs/dbraw/zinc/39/20/22/555392022.db2.gz XFHLQGNLVNQKPX-AREMUKBSSA-N -1 3 492.538 7.089 50 0 JKAAHM COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c32)cc1 ZINC000009584070 555392526 /nfs/dbraw/zinc/39/25/26/555392526.db2.gz GTUDQRFAHFAKJX-RUZDIDTESA-N -1 3 488.503 5.650 50 0 JKAAHM Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000009585914 555395935 /nfs/dbraw/zinc/39/59/35/555395935.db2.gz UHLRXPVZNBVHCY-UHFFFAOYSA-N -1 3 497.573 5.223 50 0 JKAAHM CCCn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1-c1ccc(Cl)cc1 ZINC000009588657 555401355 /nfs/dbraw/zinc/40/13/55/555401355.db2.gz HVMFSEDGSWFCCH-UHFFFAOYSA-N -1 3 484.006 5.859 50 0 JKAAHM Cc1onc(-c2c(Cl)cccc2Cl)c1[N-]C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC000013466118 555401891 /nfs/dbraw/zinc/40/18/91/555401891.db2.gz ZDAJKYDZIXKZRC-NDEPHWFRSA-N -1 3 458.754 6.299 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679077 555403809 /nfs/dbraw/zinc/40/38/09/555403809.db2.gz PSYWNNWDWLMOMM-DEOSSOPVSA-N -1 3 474.358 5.988 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679077 555403812 /nfs/dbraw/zinc/40/38/12/555403812.db2.gz PSYWNNWDWLMOMM-DEOSSOPVSA-N -1 3 474.358 5.988 50 0 JKAAHM COc1ccccc1[C@@H]1c2c([n-]nc2-c2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 ZINC000009679163 555404197 /nfs/dbraw/zinc/40/41/97/555404197.db2.gz VOYINJPYDBKWEH-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM COc1ccccc1[C@@H]1c2c(n[n-]c2-c2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 ZINC000009679163 555404199 /nfs/dbraw/zinc/40/41/99/555404199.db2.gz VOYINJPYDBKWEH-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679172 555404226 /nfs/dbraw/zinc/40/42/26/555404226.db2.gz UFIDJTWHKISWDR-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679172 555404229 /nfs/dbraw/zinc/40/42/29/555404229.db2.gz UFIDJTWHKISWDR-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679167 555404318 /nfs/dbraw/zinc/40/43/18/555404318.db2.gz PMIDRWNGQCDSLC-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679167 555404321 /nfs/dbraw/zinc/40/43/21/555404321.db2.gz PMIDRWNGQCDSLC-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679156 555404421 /nfs/dbraw/zinc/40/44/21/555404421.db2.gz DDQHJDCSMURNES-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679156 555404426 /nfs/dbraw/zinc/40/44/26/555404426.db2.gz DDQHJDCSMURNES-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679157 555404436 /nfs/dbraw/zinc/40/44/36/555404436.db2.gz DDQHJDCSMURNES-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679157 555404440 /nfs/dbraw/zinc/40/44/40/555404440.db2.gz DDQHJDCSMURNES-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM CCOc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679192 555404682 /nfs/dbraw/zinc/40/46/82/555404682.db2.gz FYTKGPLKTOHMKQ-RUZDIDTESA-N -1 3 488.385 6.296 50 0 JKAAHM CCOc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679192 555404685 /nfs/dbraw/zinc/40/46/85/555404685.db2.gz FYTKGPLKTOHMKQ-RUZDIDTESA-N -1 3 488.385 6.296 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679234 555404777 /nfs/dbraw/zinc/40/47/77/555404777.db2.gz QPGBHCKDCGZELJ-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679234 555404779 /nfs/dbraw/zinc/40/47/79/555404779.db2.gz QPGBHCKDCGZELJ-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679239 555404844 /nfs/dbraw/zinc/40/48/44/555404844.db2.gz MOPBKMVERRHLPD-DEOSSOPVSA-N -1 3 492.362 6.310 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679239 555404846 /nfs/dbraw/zinc/40/48/46/555404846.db2.gz MOPBKMVERRHLPD-DEOSSOPVSA-N -1 3 492.362 6.310 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679293 555405246 /nfs/dbraw/zinc/40/52/46/555405246.db2.gz LTKWNVRMUCOUNL-MHZLTWQESA-N -1 3 481.552 5.710 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679293 555405248 /nfs/dbraw/zinc/40/52/48/555405248.db2.gz LTKWNVRMUCOUNL-MHZLTWQESA-N -1 3 481.552 5.710 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009679268 555405261 /nfs/dbraw/zinc/40/52/61/555405261.db2.gz INUUPUJMQAYOSQ-MHZLTWQESA-N -1 3 465.553 5.874 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009679268 555405262 /nfs/dbraw/zinc/40/52/62/555405262.db2.gz INUUPUJMQAYOSQ-MHZLTWQESA-N -1 3 465.553 5.874 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679245 555405283 /nfs/dbraw/zinc/40/52/83/555405283.db2.gz WODULHUPVYTOTF-SANMLTNESA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679245 555405285 /nfs/dbraw/zinc/40/52/85/555405285.db2.gz WODULHUPVYTOTF-SANMLTNESA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679262 555405379 /nfs/dbraw/zinc/40/53/79/555405379.db2.gz HQUGCOZWUNWSOT-RUZDIDTESA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679262 555405381 /nfs/dbraw/zinc/40/53/81/555405381.db2.gz HQUGCOZWUNWSOT-RUZDIDTESA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679276 555405397 /nfs/dbraw/zinc/40/53/97/555405397.db2.gz NTLZNEMZWAPWJQ-HHHXNRCGSA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679276 555405399 /nfs/dbraw/zinc/40/53/99/555405399.db2.gz NTLZNEMZWAPWJQ-HHHXNRCGSA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679364 555405826 /nfs/dbraw/zinc/40/58/26/555405826.db2.gz MQGVMARAYKSWHR-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679364 555405828 /nfs/dbraw/zinc/40/58/28/555405828.db2.gz MQGVMARAYKSWHR-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679408 555406524 /nfs/dbraw/zinc/40/65/24/555406524.db2.gz GVNNGOSCPVHPAW-AREMUKBSSA-N -1 3 485.515 5.541 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679408 555406526 /nfs/dbraw/zinc/40/65/26/555406526.db2.gz GVNNGOSCPVHPAW-AREMUKBSSA-N -1 3 485.515 5.541 50 0 JKAAHM COc1ccc([C@H]2CCCN2Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c(OC)c1 ZINC000009683702 555412158 /nfs/dbraw/zinc/41/21/58/555412158.db2.gz WXEYXZXWDLUMNU-HXUWFJFHSA-N -1 3 465.550 5.145 50 0 JKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)c(C(=O)OCC)c1C ZINC000009597892 555415059 /nfs/dbraw/zinc/41/50/59/555415059.db2.gz PDXAKIRHARCLAU-UHFFFAOYSA-N -1 3 497.356 5.624 50 0 JKAAHM Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000009689956 555417090 /nfs/dbraw/zinc/41/70/90/555417090.db2.gz YSNKVVKYQSQPPH-UHFFFAOYSA-N -1 3 495.532 5.063 50 0 JKAAHM CCCCSc1nnc2c(n1)OC(=C([O-])c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000009601848 555427130 /nfs/dbraw/zinc/42/71/30/555427130.db2.gz PHEABIRXFRAIAF-FQEVSTJZSA-N -1 3 471.380 5.207 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2C(F)(F)F)s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009608618 555436375 /nfs/dbraw/zinc/43/63/75/555436375.db2.gz QXUHVTILULMAIO-UHFFFAOYSA-N -1 3 493.536 5.158 50 0 JKAAHM O=C(Nc1ccccc1)C1CCN(Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)CC1 ZINC000009726552 555460035 /nfs/dbraw/zinc/46/00/35/555460035.db2.gz GVSFRDINQHFKCC-UHFFFAOYSA-N -1 3 479.005 5.156 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000013511409 555483088 /nfs/dbraw/zinc/48/30/88/555483088.db2.gz ILZANGSWKGGKFD-NJDAHSKKSA-N -1 3 473.743 5.698 50 0 JKAAHM COc1cc(C(=O)Nc2cc(C)c([O-])c(-c3nc4cc(C(C)C)ccc4o3)c2)cc(OC)c1OC ZINC000013519440 555485625 /nfs/dbraw/zinc/48/56/25/555485625.db2.gz OGSARKAXAPKVHE-UHFFFAOYSA-N -1 3 476.529 5.910 50 0 JKAAHM COc1cccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccccc4)C[C@@]3([O-])C(F)(F)F)n2)c1 ZINC000013643071 555548550 /nfs/dbraw/zinc/54/85/50/555548550.db2.gz XZFYHEIYVVCQGT-HXUWFJFHSA-N -1 3 482.384 5.036 50 0 JKAAHM O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]1 ZINC000019943520 555561443 /nfs/dbraw/zinc/56/14/43/555561443.db2.gz HSYTYJYSWIDKDZ-UHFFFAOYSA-N -1 3 456.977 5.002 50 0 JKAAHM Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1Cc1ccccc1Cl ZINC000019991318 555576562 /nfs/dbraw/zinc/57/65/62/555576562.db2.gz FCLWZKPKKQVWRS-UHFFFAOYSA-N -1 3 485.031 5.234 50 0 JKAAHM CCCc1c(=O)[n-]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccccc1 ZINC000019991302 555576652 /nfs/dbraw/zinc/57/66/52/555576652.db2.gz AKDYACFODAAHCS-UHFFFAOYSA-N -1 3 464.613 5.301 50 0 JKAAHM O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000010023697 555598729 /nfs/dbraw/zinc/59/87/29/555598729.db2.gz HWZKJINXDILBOU-UHFFFAOYSA-N -1 3 451.523 5.069 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000013749130 555608109 /nfs/dbraw/zinc/60/81/09/555608109.db2.gz VFFXYHZJXFSTJB-SVFBPWRDSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013758549 555611625 /nfs/dbraw/zinc/61/16/25/555611625.db2.gz BKYIARLKJGAZHF-DSNGMDLFSA-N -1 3 489.358 6.198 50 0 JKAAHM CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000013758877 555611910 /nfs/dbraw/zinc/61/19/10/555611910.db2.gz ZKUFTSCAMYBVJH-DYESRHJHSA-N -1 3 459.612 5.063 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000010060050 555612040 /nfs/dbraw/zinc/61/20/40/555612040.db2.gz MCWPZKYJBBEDCZ-UHFFFAOYSA-N -1 3 469.321 5.194 50 0 JKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013770487 555614670 /nfs/dbraw/zinc/61/46/70/555614670.db2.gz DIDRDADLVCXBRP-CYXNTTPDSA-N -1 3 490.531 5.064 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013777800 555617431 /nfs/dbraw/zinc/61/74/31/555617431.db2.gz HKWRSWSGKMZKGC-QHAWAJNXSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1cccc(C(F)(F)F)c1 ZINC000013806685 555623817 /nfs/dbraw/zinc/62/38/17/555623817.db2.gz VMZODESNPGWALM-QHAWAJNXSA-N -1 3 472.850 5.410 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1c(F)cccc1Cl ZINC000013811461 555628029 /nfs/dbraw/zinc/62/80/29/555628029.db2.gz DNMZZPBAOQSDOY-NJDAHSKKSA-N -1 3 490.840 5.549 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(C(C)C)cc3)cc2)c(C)c1 ZINC000013936302 555648950 /nfs/dbraw/zinc/64/89/50/555648950.db2.gz WZPQOMWSUHTCTC-UHFFFAOYSA-N -1 3 467.660 6.345 50 0 JKAAHM CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000013936227 555649010 /nfs/dbraw/zinc/64/90/10/555649010.db2.gz DXTVEUXXVCTQKR-QGZVFWFLSA-N -1 3 453.633 6.118 50 0 JKAAHM CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1 ZINC000013936300 555649014 /nfs/dbraw/zinc/64/90/14/555649014.db2.gz YVPWUCULKKLYKL-UHFFFAOYSA-N -1 3 453.633 5.784 50 0 JKAAHM CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000013936376 555649175 /nfs/dbraw/zinc/64/91/75/555649175.db2.gz HTHIRZBWHDUTRS-QGZVFWFLSA-N -1 3 469.632 5.818 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cccc4ccccc43)cc2)cc1 ZINC000013936405 555649194 /nfs/dbraw/zinc/64/91/94/555649194.db2.gz CIFUHQXHJLZSSB-UHFFFAOYSA-N -1 3 463.584 5.458 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cccc4ccccc43)cc2)c(C)c1 ZINC000013936334 555649224 /nfs/dbraw/zinc/64/92/24/555649224.db2.gz QXBHDIFDMPKAEF-UHFFFAOYSA-N -1 3 475.639 6.375 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000013936374 555649254 /nfs/dbraw/zinc/64/92/54/555649254.db2.gz OICUBHBFOVNVIQ-UHFFFAOYSA-N -1 3 455.605 5.428 50 0 JKAAHM O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000010218882 555651634 /nfs/dbraw/zinc/65/16/34/555651634.db2.gz MGLOSYUGEGDFGN-UHFFFAOYSA-N -1 3 470.547 5.001 50 0 JKAAHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000010219047 555652029 /nfs/dbraw/zinc/65/20/29/555652029.db2.gz OUXXXWAJQBIUNV-UHFFFAOYSA-N -1 3 487.002 5.515 50 0 JKAAHM CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000010253357 555661748 /nfs/dbraw/zinc/66/17/48/555661748.db2.gz RHIVSAMSBWEJPC-UHFFFAOYSA-N -1 3 452.557 5.103 50 0 JKAAHM CC(C)(C)c1cc(CCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc(C(C)(C)C)c1O ZINC000010294318 555674709 /nfs/dbraw/zinc/67/47/09/555674709.db2.gz CLJIUAKSEFMYJW-UHFFFAOYSA-N -1 3 480.649 5.503 50 0 JKAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000014066717 555675951 /nfs/dbraw/zinc/67/59/51/555675951.db2.gz DCHJMBOPXDUWOB-KRWDZBQOSA-N -1 3 491.432 5.111 50 0 JKAAHM COC(=O)c1ccsc1NC(=O)c1ccsc1[N-]C(=O)c1sc2cccc(F)c2c1Cl ZINC000020220963 555717700 /nfs/dbraw/zinc/71/77/00/555717700.db2.gz FZZHPLJAKPYLPK-UHFFFAOYSA-N -1 3 494.978 6.108 50 0 JKAAHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014186152 555727279 /nfs/dbraw/zinc/72/72/79/555727279.db2.gz DSLGANBLZFYQJV-AWEZNQCLSA-N -1 3 464.971 5.399 50 0 JKAAHM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1)Nc1ccccc1C(F)(F)F ZINC000011667533 555798133 /nfs/dbraw/zinc/79/81/33/555798133.db2.gz DMXMTSKXCCPILC-UHFFFAOYSA-N -1 3 490.891 5.333 50 0 JKAAHM CCCCOc1ccc(-c2cc(C(=O)N3NC(C4CC4)=C[C@]3([O-])C(F)(F)F)c3ccccc3n2)cc1 ZINC000020594804 555838742 /nfs/dbraw/zinc/83/87/42/555838742.db2.gz SGWXINPKEOCKLD-SANMLTNESA-N -1 3 497.517 5.944 50 0 JKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])cc1OC ZINC000011866321 555841493 /nfs/dbraw/zinc/84/14/93/555841493.db2.gz OHGSFOZTCFOZDD-UHFFFAOYSA-N -1 3 469.896 6.411 50 0 JKAAHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c(C)c1C ZINC000020604366 555845200 /nfs/dbraw/zinc/84/52/00/555845200.db2.gz DTWHQLJIKJUVBU-UHFFFAOYSA-N -1 3 480.634 5.115 50 0 JKAAHM [O-]c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1Br ZINC000015016259 555857535 /nfs/dbraw/zinc/85/75/35/555857535.db2.gz ZEUJHWUUSZVNFY-NRFANRHFSA-N -1 3 493.386 5.802 50 0 JKAAHM CCOc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Br)c1[O-] ZINC000015016739 555858065 /nfs/dbraw/zinc/85/80/65/555858065.db2.gz RUIRUFQHFFBDGE-VGSWGCGISA-N -1 3 471.376 5.857 50 0 JKAAHM CCOc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Br)c1[O-] ZINC000015016738 555858151 /nfs/dbraw/zinc/85/81/51/555858151.db2.gz RUIRUFQHFFBDGE-JTSKRJEESA-N -1 3 471.376 5.857 50 0 JKAAHM [O-]c1c([C@H](c2cccc(F)c2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12 ZINC000022031244 555864587 /nfs/dbraw/zinc/86/45/87/555864587.db2.gz MZGKKGMQMHGFJE-VWLOTQADSA-N -1 3 499.615 5.132 50 0 JKAAHM O=c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000022038268 555865656 /nfs/dbraw/zinc/86/56/56/555865656.db2.gz KPKXNDQNDBXFHI-UHFFFAOYSA-N -1 3 492.648 5.559 50 0 JKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2sc3ccccc3c2Cl)cc1OCCC ZINC000011915567 555866885 /nfs/dbraw/zinc/86/68/85/555866885.db2.gz DQTYPARTKMMNBI-UHFFFAOYSA-N -1 3 471.966 6.435 50 0 JKAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000015227849 555887827 /nfs/dbraw/zinc/88/78/27/555887827.db2.gz ZHTXKNMEHXZBSP-UHFFFAOYSA-N -1 3 458.572 5.117 50 0 JKAAHM CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000015501298 555911422 /nfs/dbraw/zinc/91/14/22/555911422.db2.gz JYTRDUHVFZDUNQ-UHFFFAOYSA-N -1 3 478.357 5.005 50 0 JKAAHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)c(Cl)cc1Cl ZINC000015595013 555917713 /nfs/dbraw/zinc/91/77/13/555917713.db2.gz KHACCHBWEIWDPZ-LLVKDONJSA-N -1 3 470.378 5.162 50 0 JKAAHM Cc1ccc(Nc2cc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)nc(C)n2)cc1 ZINC000015671358 555928710 /nfs/dbraw/zinc/92/87/10/555928710.db2.gz CPARNQYPGGGBLL-UHFFFAOYSA-N -1 3 459.575 5.690 50 0 JKAAHM 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Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1C ZINC000015913309 556066104 /nfs/dbraw/zinc/06/61/04/556066104.db2.gz HZNFSEUKPFBCCP-UHFFFAOYSA-N -1 3 498.048 6.000 50 0 JKAAHM COc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c(OC)c1 ZINC000015913424 556066143 /nfs/dbraw/zinc/06/61/43/556066143.db2.gz QCZGBBLXNVWUMZ-JLHYYAGUSA-N -1 3 486.977 5.118 50 0 JKAAHM CC(C)c1ccc(NC(=O)CS[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000012568582 556069363 /nfs/dbraw/zinc/06/93/63/556069363.db2.gz KCIAUDGCAZNXOT-INIZCTEOSA-N -1 3 463.628 6.208 50 0 JKAAHM COc1cc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)ccc1OC(F)F ZINC000023508654 556076288 /nfs/dbraw/zinc/07/62/88/556076288.db2.gz WHHAIDMFAZSOII-CQSZACIVSA-N -1 3 471.529 5.455 50 0 JKAAHM O=c1oc2ccccc2c(NC2CCCCC2)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000015942487 556077584 /nfs/dbraw/zinc/07/75/84/556077584.db2.gz ANHMRJVQGBSAJU-UHFFFAOYSA-N -1 3 450.919 5.131 50 0 JKAAHM CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)c([O-])c(OC)c2)N3)C1 ZINC000015945394 556081669 /nfs/dbraw/zinc/08/16/69/556081669.db2.gz SRDLVXSMOJNHAF-XLFHBGCDSA-N -1 3 484.359 5.011 50 0 JKAAHM COc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N2CCCC2)cc1 ZINC000012618550 556091765 /nfs/dbraw/zinc/09/17/65/556091765.db2.gz NXRWCHVGDWGXRJ-UHFFFAOYSA-N -1 3 485.993 5.002 50 0 JKAAHM Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015978587 556098575 /nfs/dbraw/zinc/09/85/75/556098575.db2.gz YFWLKVBRHRHMJO-UHFFFAOYSA-N -1 3 480.973 5.620 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(-c4ccc(O)cc4)cc3)ccc2C)c(C)c1 ZINC000015980488 556099485 /nfs/dbraw/zinc/09/94/85/556099485.db2.gz WXNBXQFIEXNIBO-UHFFFAOYSA-N -1 3 486.593 6.038 50 0 JKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000015999249 556104266 /nfs/dbraw/zinc/10/42/66/556104266.db2.gz FYVWOXLHBWEHRJ-GURVGDRESA-N -1 3 494.566 5.414 50 0 JKAAHM C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)c1ccccc1Br ZINC000012739644 556107534 /nfs/dbraw/zinc/10/75/34/556107534.db2.gz JKPNYXTURCRJJP-LBPRGKRZSA-N -1 3 474.811 5.918 50 0 JKAAHM COc1ccc(-c2nc(CSc3n[n-]c(COc4ccc(Cl)cc4)n3)cs2)cc1OC ZINC000023973723 556109600 /nfs/dbraw/zinc/10/96/00/556109600.db2.gz WYUMXIZUMDIGCP-UHFFFAOYSA-N -1 3 474.995 5.470 50 0 JKAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)n1 ZINC000024023392 556116969 /nfs/dbraw/zinc/11/69/69/556116969.db2.gz RVJDWTCIJBVFCJ-UHFFFAOYSA-N -1 3 485.613 5.181 50 0 JKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1 ZINC000024023380 556117035 /nfs/dbraw/zinc/11/70/35/556117035.db2.gz NHCPKATYCIWERY-UHFFFAOYSA-N -1 3 459.575 5.690 50 0 JKAAHM O=C(CCSCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1)N1CCc2ccccc21 ZINC000012858613 556118769 /nfs/dbraw/zinc/11/87/69/556118769.db2.gz TUAAURHRAHGSLK-UHFFFAOYSA-N -1 3 465.575 5.003 50 0 JKAAHM COc1ccc(NC(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)cc1OC 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JELDXOKURAXYTI-UHFFFAOYSA-N -1 3 486.318 5.664 50 0 JKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)n2)cc1 ZINC000017013731 556203924 /nfs/dbraw/zinc/20/39/24/556203924.db2.gz YAEDBQGVRVRENM-UHFFFAOYSA-N -1 3 495.992 5.735 50 0 JKAAHM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(CCCl)c2)cc(Br)c1OCC ZINC000013013636 556204986 /nfs/dbraw/zinc/20/49/86/556204986.db2.gz NPIHLVSLUHSNOE-FNORWQNLSA-N -1 3 453.760 5.630 50 0 JKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)n2)cc1 ZINC000017042872 556209374 /nfs/dbraw/zinc/20/93/74/556209374.db2.gz CIKOQKOUSFNDHX-UHFFFAOYSA-N -1 3 479.993 6.035 50 0 JKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000017042876 556209533 /nfs/dbraw/zinc/20/95/33/556209533.db2.gz PRVPSAMRLNNVCR-UHFFFAOYSA-N -1 3 463.538 5.521 50 0 JKAAHM CCCCCCc1ccc(C(=O)[C@H](C)Sc2nc3c(cnn3-c3nc(C)cc(C)n3)c(=O)[n-]2)cc1 ZINC000013028002 556221385 /nfs/dbraw/zinc/22/13/85/556221385.db2.gz SJDMNZASEJZTKZ-SFHVURJKSA-N -1 3 490.633 5.414 50 0 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O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000027527353 556287322 /nfs/dbraw/zinc/28/73/22/556287322.db2.gz OHHSFQPRIBIMQZ-UHFFFAOYSA-N -1 3 489.156 5.517 50 0 JKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018100081 556287628 /nfs/dbraw/zinc/28/76/28/556287628.db2.gz YCKZIYVRIPZFNG-ZLNRFVROSA-N -1 3 499.350 5.062 50 0 JKAAHM CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018178138 556298347 /nfs/dbraw/zinc/29/83/47/556298347.db2.gz BTIOOIGGHNJAGI-VSKRKVRLSA-N -1 3 450.947 5.113 50 0 JKAAHM CCCOc1ccc(-c2cc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)c3ccccc3n2)cc1 ZINC000018195297 556302398 /nfs/dbraw/zinc/30/23/98/556302398.db2.gz PKIRCKBKGZQFDA-QHCPKHFHSA-N -1 3 457.452 5.163 50 0 JKAAHM C[C@H](Sc1ncnc2sc3c(c21)CCC3)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000013108034 556304538 /nfs/dbraw/zinc/30/45/38/556304538.db2.gz HYHRDLHREXZPQD-LBPRGKRZSA-N -1 3 462.625 5.998 50 0 JKAAHM 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VEIAUJKTBYLZOQ-UHFFFAOYSA-N -1 3 455.499 5.274 50 0 JKAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc4ccccc4n3C(C)C)nc(=O)c2c1C ZINC000008706448 569594311 /nfs/dbraw/zinc/59/43/11/569594311.db2.gz BVKSOWSBIXSPLX-CYBMUJFWSA-N -1 3 456.593 5.254 50 0 JKAAHM COc1ccc(-c2csc(N3N=C(c4ccc(Cl)cc4)C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711520 569596106 /nfs/dbraw/zinc/59/61/06/569596106.db2.gz AVUACJSNVDEFEA-LJQANCHMSA-N -1 3 453.873 5.337 50 0 JKAAHM COc1ccc(-c2csc(N3N=C(c4ccc(Cl)cc4)C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711522 569596112 /nfs/dbraw/zinc/59/61/12/569596112.db2.gz AVUACJSNVDEFEA-IBGZPJMESA-N -1 3 453.873 5.337 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000008715776 569596414 /nfs/dbraw/zinc/59/64/14/569596414.db2.gz YOIGMEQPAQBRNQ-AREMUKBSSA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000008715776 569596415 /nfs/dbraw/zinc/59/64/15/569596415.db2.gz YOIGMEQPAQBRNQ-AREMUKBSSA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000008715780 569596513 /nfs/dbraw/zinc/59/65/13/569596513.db2.gz XFCLOCCUKLBZOJ-AREMUKBSSA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000008715780 569596514 /nfs/dbraw/zinc/59/65/14/569596514.db2.gz XFCLOCCUKLBZOJ-AREMUKBSSA-N -1 3 467.525 5.320 50 0 JKAAHM [O-]c1ccc(Cl)cc1-c1csc(N2N=C(c3ccc4c(c3)CCCC4)C[C@@H]2c2ccccc2)n1 ZINC000008720942 569598321 /nfs/dbraw/zinc/59/83/21/569598321.db2.gz KPVNLKZUTWMMOM-AREMUKBSSA-N -1 3 486.040 7.404 50 0 JKAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1csc(-c2ccsc2)n1 ZINC000008728301 569601413 /nfs/dbraw/zinc/60/14/13/569601413.db2.gz WMEOLTWBYBZEFW-UHFFFAOYSA-N -1 3 459.549 5.064 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 ZINC000033007626 569615644 /nfs/dbraw/zinc/61/56/44/569615644.db2.gz NMPGYZURDHICDQ-UHFFFAOYSA-N -1 3 451.573 5.275 50 0 JKAAHM O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)c1[n-]nc2c1COc1ccccc1-2 ZINC000033020157 569618757 /nfs/dbraw/zinc/61/87/57/569618757.db2.gz AKWRGGURXQJQMD-UHFFFAOYSA-N -1 3 467.510 5.083 50 0 JKAAHM O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)c1n[n-]c2c1COc1ccccc1-2 ZINC000033020157 569618758 /nfs/dbraw/zinc/61/87/58/569618758.db2.gz AKWRGGURXQJQMD-UHFFFAOYSA-N -1 3 467.510 5.083 50 0 JKAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc(C)n1 ZINC000033324517 569623520 /nfs/dbraw/zinc/62/35/20/569623520.db2.gz KXHOFSVFHVGXDX-UHFFFAOYSA-N -1 3 453.612 5.101 50 0 JKAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1ccc(Oc2ccccc2)cc1 ZINC000033331763 569624401 /nfs/dbraw/zinc/62/44/01/569624401.db2.gz TUGMBXMQOUYJLY-UHFFFAOYSA-N -1 3 498.608 5.264 50 0 JKAAHM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3)n2)cc1 ZINC000064802001 569631531 /nfs/dbraw/zinc/63/15/31/569631531.db2.gz FHRSVKXSWUOHDX-UHFFFAOYSA-N -1 3 463.538 5.521 50 0 JKAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000064801727 569631566 /nfs/dbraw/zinc/63/15/66/569631566.db2.gz HFSSQDOHNZRSEU-UHFFFAOYSA-N -1 3 452.367 5.068 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)nc(N2CCCC2)n1 ZINC000064801829 569631683 /nfs/dbraw/zinc/63/16/83/569631683.db2.gz SHLNDXXIEKYBTD-UHFFFAOYSA-N -1 3 485.613 5.181 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)nc(NC2CCCCC2)n1 ZINC000064802018 569631864 /nfs/dbraw/zinc/63/18/64/569631864.db2.gz JJYOOSHKCHYCSF-UHFFFAOYSA-N -1 3 465.623 5.691 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)nc(NC2CCCCC2)n1 ZINC000064814521 569632102 /nfs/dbraw/zinc/63/21/02/569632102.db2.gz BDJSDJVQWGRBEN-UHFFFAOYSA-N -1 3 473.549 5.352 50 0 JKAAHM O=C1N(Cc2cccc(Cl)c2F)CCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034737573 569654564 /nfs/dbraw/zinc/65/45/64/569654564.db2.gz CFOHFONZAYLNQP-UHFFFAOYSA-N -1 3 491.947 5.251 50 0 JKAAHM Cc1cc(C)c(CN2CCCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2=O)c(C)c1 ZINC000034737819 569654645 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Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001382323 194113331 /nfs/dbraw/zinc/11/33/31/194113331.db2.gz BMWYELAAXDTYRJ-UHFFFAOYSA-N -1 3 477.291 6.309 50 0 JKAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1C ZINC000001382319 194113338 /nfs/dbraw/zinc/11/33/38/194113338.db2.gz AIWFXSAOJYYIMA-UHFFFAOYSA-N -1 3 456.873 5.964 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404685 194115498 /nfs/dbraw/zinc/11/54/98/194115498.db2.gz SAYUIHOANLBRDH-DEOSSOPVSA-N -1 3 490.357 5.693 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404685 194115501 /nfs/dbraw/zinc/11/55/01/194115501.db2.gz SAYUIHOANLBRDH-DEOSSOPVSA-N -1 3 490.357 5.693 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2cccs2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404741 194115520 /nfs/dbraw/zinc/11/55/20/194115520.db2.gz GWVVSXLNUPXCJQ-JOCHJYFZSA-N -1 3 480.387 6.049 50 0 aggregator JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2cccs2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404741 194115524 /nfs/dbraw/zinc/11/55/24/194115524.db2.gz GWVVSXLNUPXCJQ-JOCHJYFZSA-N -1 3 480.387 6.049 50 0 aggregator JKAAHM O=C(CCCCCCCCC(=O)c1ccc2ccccc2c1O)c1ccc2ccccc2c1[O-] ZINC000001710111 194131850 /nfs/dbraw/zinc/13/18/50/194131850.db2.gz MGUCPTJBPMXWSO-UHFFFAOYSA-N -1 3 454.566 7.591 50 0 JKAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000002465547 194161547 /nfs/dbraw/zinc/16/15/47/194161547.db2.gz YZMMSUYRDBGNKF-UHFFFAOYSA-N -1 3 477.336 5.106 50 0 JKAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000002704014 194164294 /nfs/dbraw/zinc/16/42/94/194164294.db2.gz LSFCVBXVCGHBKI-NRFANRHFSA-N -1 3 492.325 5.015 50 0 JKAAHM CCSc1nnc2c(n1)O[C@H](c1cc(Cl)c([O-])c(OC)c1)Nc1ccc(Br)cc1-2 ZINC000002977637 194191676 /nfs/dbraw/zinc/19/16/76/194191676.db2.gz BFMQAAAUWYLSAB-QGZVFWFLSA-N -1 3 495.786 5.284 50 0 JKAAHM COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc(Cl)c1[O-] ZINC000002977827 194191891 /nfs/dbraw/zinc/19/18/91/194191891.db2.gz SIXQOZGOLSQGER-QFIPXVFZSA-N -1 3 496.951 5.841 50 0 JKAAHM COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc(Cl)c1[O-] ZINC000002977828 194191924 /nfs/dbraw/zinc/19/19/24/194191924.db2.gz SIXQOZGOLSQGER-JOCHJYFZSA-N -1 3 496.951 5.841 50 0 JKAAHM Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Cl)ccc4[O-])cc3N2)cc1 ZINC000003011310 194204749 /nfs/dbraw/zinc/20/47/49/194204749.db2.gz UPEMLKQSXBWACM-KBXCAEBGSA-N -1 3 450.848 5.463 50 0 JKAAHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F ZINC000003021898 194208891 /nfs/dbraw/zinc/20/88/91/194208891.db2.gz UIKSIXOHSMOTLQ-KPZWWZAWSA-N -1 3 459.370 5.242 50 0 JKAAHM O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003022283 194209261 /nfs/dbraw/zinc/20/92/61/194209261.db2.gz RJHSGRJWMXMASW-UHFFFAOYSA-N -1 3 487.767 5.517 50 0 JKAAHM O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003022051 194209292 /nfs/dbraw/zinc/20/92/92/194209292.db2.gz QMUAYKXOFRMXGE-UHFFFAOYSA-N -1 3 487.767 5.517 50 0 aggregator JKAAHM CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000003022698 194209580 /nfs/dbraw/zinc/20/95/80/194209580.db2.gz WDVPKJRDIGNFCT-UHFFFAOYSA-N -1 3 495.403 5.987 50 0 JKAAHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(c3ccccc3)c3ccccc3)c2)cc1F ZINC000003022920 194209854 /nfs/dbraw/zinc/20/98/54/194209854.db2.gz JDMGZTLYPOBGAC-UHFFFAOYSA-N -1 3 492.547 5.593 50 0 JKAAHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000003023212 194209889 /nfs/dbraw/zinc/20/98/89/194209889.db2.gz PIECCRXPIPPEHI-UHFFFAOYSA-N -1 3 482.577 5.871 50 0 JKAAHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000003023421 194210048 /nfs/dbraw/zinc/21/00/48/194210048.db2.gz GPCFZDKZCBNFAI-UHFFFAOYSA-N -1 3 454.523 5.091 50 0 JKAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1 ZINC000003125918 194228948 /nfs/dbraw/zinc/22/89/48/194228948.db2.gz UTBWBJQJJQURPO-UHFFFAOYSA-N -1 3 463.783 5.196 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4sc5ccccc5c4s3)cc2)cc1 ZINC000003237970 194247604 /nfs/dbraw/zinc/24/76/04/194247604.db2.gz CHVDNEOBHGCTAA-UHFFFAOYSA-N -1 3 494.619 6.178 50 0 JKAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003327521 194283783 /nfs/dbraw/zinc/28/37/83/194283783.db2.gz KBMHJQGCQKSTCK-UHFFFAOYSA-N -1 3 482.565 5.073 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@@H]3C)nc(=O)c2c1C ZINC000003332840 194286413 /nfs/dbraw/zinc/28/64/13/194286413.db2.gz JKHVORWAEVWPHG-GUYCJALGSA-N -1 3 494.646 5.193 50 0 JKAAHM Cc1cc2nnc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)n2c2ccccc12 ZINC000003339086 194289343 /nfs/dbraw/zinc/28/93/43/194289343.db2.gz KWIYFPLRHLCTRK-UHFFFAOYSA-N -1 3 455.568 5.448 50 0 JKAAHM COc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000003437915 194324381 /nfs/dbraw/zinc/32/43/81/194324381.db2.gz QGBLSTAEOHRIJR-UHFFFAOYSA-N -1 3 479.385 5.672 50 0 JKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000003629506 194343898 /nfs/dbraw/zinc/34/38/98/194343898.db2.gz WNLHEFITAAXJAT-UHFFFAOYSA-N -1 3 467.234 5.680 50 0 JKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000003655597 194352347 /nfs/dbraw/zinc/35/23/47/194352347.db2.gz CDOYFSCISYFVBP-UHFFFAOYSA-N -1 3 488.337 7.042 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@]2(O3)N(C)c3ccccc3C2(C)C)c(C)c1 ZINC000006182954 194418861 /nfs/dbraw/zinc/41/88/61/194418861.db2.gz SNKPDZROXBTADC-MHZLTWQESA-N -1 3 462.615 5.471 50 0 JKAAHM COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Br)cc3)cc2[O-])cc1 ZINC000009187793 194584313 /nfs/dbraw/zinc/58/43/13/194584313.db2.gz HEYWEKNDRCYNBT-UHFFFAOYSA-N -1 3 495.329 5.703 50 0 JKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccc(C(=O)OCCC)cc3)c([O-])c2)cc1 ZINC000009128813 194557346 /nfs/dbraw/zinc/55/73/46/194557346.db2.gz VEOXBKABXPURCR-UHFFFAOYSA-N -1 3 470.525 6.363 50 0 JKAAHM CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c([O-])cc1OCc1cccc(OC)c1 ZINC000009410251 194756046 /nfs/dbraw/zinc/75/60/46/194756046.db2.gz ADXRLAUDSSEARE-UHFFFAOYSA-N -1 3 472.541 5.679 50 0 JKAAHM CCOc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Br)c1[O-] ZINC000009593079 194791067 /nfs/dbraw/zinc/79/10/67/194791067.db2.gz RUIRUFQHFFBDGE-HTAPYJJXSA-N -1 3 471.376 5.857 50 0 JKAAHM O=C([O-])c1c(CN[C@@H]2CCCc3ccccc32)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009833329 194982911 /nfs/dbraw/zinc/98/29/11/194982911.db2.gz JXYBQEXJJUZHHJ-XMMPIXPASA-N -1 3 462.952 6.348 50 0 JKAAHM C[C@@H](CC=CCc1nc2c(c(=O)[n-]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2)c1ccccc1 ZINC000009860919 195001527 /nfs/dbraw/zinc/00/15/27/195001527.db2.gz FTMSZTLTOOJIPP-AGMGCOHPSA-N -1 3 452.642 7.124 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(c(Cl)c2)O[C@@]2(C3)N(C)c3ccccc3C2(C)C)cc1 ZINC000009861237 195001845 /nfs/dbraw/zinc/00/18/45/195001845.db2.gz YWDCBRLJHLUFLK-RUZDIDTESA-N -1 3 469.006 5.508 50 0 JKAAHM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000009891957 195015627 /nfs/dbraw/zinc/01/56/27/195015627.db2.gz ZTBRZYJMYQMMRS-UHFFFAOYSA-N -1 3 451.331 5.055 50 0 JKAAHM O=c1nc(CSc2nnc(-c3ccccc3)o2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000009882248 195010211 /nfs/dbraw/zinc/01/02/11/195010211.db2.gz URFSPUSUCKZYTH-UHFFFAOYSA-N -1 3 452.948 5.647 50 0 JKAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000009883202 195011396 /nfs/dbraw/zinc/01/13/96/195011396.db2.gz SHSJVKUIOMGOLB-UHFFFAOYSA-N -1 3 489.384 5.359 50 0 JKAAHM O=c1nc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)[n-]c2scc(-c3ccccc3)c21 ZINC000009960406 195038879 /nfs/dbraw/zinc/03/88/79/195038879.db2.gz QLTRJABJJXMRHB-UHFFFAOYSA-N -1 3 498.593 5.239 50 0 JKAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1SCc1cscn1 ZINC000012605597 195050870 /nfs/dbraw/zinc/05/08/70/195050870.db2.gz XJPZESZHRSFZDG-UHFFFAOYSA-N -1 3 499.614 5.628 50 0 JKAAHM COc1ccc(CNCc2c3ccccc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])cc1 ZINC000009969053 195042117 /nfs/dbraw/zinc/04/21/17/195042117.db2.gz YRKFJXDRINUKIS-UHFFFAOYSA-N -1 3 452.913 5.479 50 0 JKAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000012633309 195065337 /nfs/dbraw/zinc/06/53/37/195065337.db2.gz LJQZGEOKOWWBPR-UHFFFAOYSA-N -1 3 471.969 6.418 50 0 JKAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000012756519 195108691 /nfs/dbraw/zinc/10/86/91/195108691.db2.gz SHEFKNCRGXRVEV-GHTZIAJQSA-N -1 3 489.666 5.507 50 0 JKAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000012756512 195108697 /nfs/dbraw/zinc/10/86/97/195108697.db2.gz SHEFKNCRGXRVEV-WIYYLYMNSA-N -1 3 489.666 5.507 50 0 JKAAHM CCOc1cc2c(cc1CN[C@@H](C)c1nc(=O)c3c(-c4cccs4)csc3[n-]1)O[C@@H](C)C2 ZINC000012769832 195116613 /nfs/dbraw/zinc/11/66/13/195116613.db2.gz CZXNSCWUBBGTJO-KBPBESRZSA-N -1 3 467.616 5.286 50 0 JKAAHM C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2Br)[n-]c1=S ZINC000012787493 195129217 /nfs/dbraw/zinc/12/92/17/195129217.db2.gz GEQLWCFKSFTBGW-GFCCVEGCSA-N -1 3 460.426 5.630 50 0 JKAAHM Cc1cc(NC(=S)NC(=O)c2ccccc2Br)cc(-c2nc3ccccc3s2)c1[O-] ZINC000012843200 195151583 /nfs/dbraw/zinc/15/15/83/195151583.db2.gz SFZNKVHGXKLTKD-UHFFFAOYSA-N -1 3 498.427 5.867 50 0 JKAAHM CCN(CC(=O)Nc1c(F)cccc1F)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000012858961 195158864 /nfs/dbraw/zinc/15/88/64/195158864.db2.gz GRIUDFZVKRAIHU-UHFFFAOYSA-N -1 3 488.947 5.044 50 0 JKAAHM O=C(Cc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012905053 195179026 /nfs/dbraw/zinc/17/90/26/195179026.db2.gz KDQZAJFYNUBIKG-UHFFFAOYSA-N -1 3 450.947 5.475 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000020727116 195208037 /nfs/dbraw/zinc/20/80/37/195208037.db2.gz QATBSUGUSYASKQ-XCLFUZPHSA-N -1 3 470.392 5.545 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020730210 195209461 /nfs/dbraw/zinc/20/94/61/195209461.db2.gz QGEJSCIFNKCLFP-DEOSSOPVSA-N -1 3 478.390 5.027 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000020731083 195210262 /nfs/dbraw/zinc/21/02/62/195210262.db2.gz XVYFBGBZLCCRHQ-NRFANRHFSA-N -1 3 472.314 5.216 50 0 JKAAHM CCn1c(=O)c2ccccc2nc1SCc1nc2c(c(=O)[n-]1)C(CC)(CC)Cc1ccccc1-2 ZINC000020899587 195240847 /nfs/dbraw/zinc/24/08/47/195240847.db2.gz ZKFZTRMYCPASFD-UHFFFAOYSA-N -1 3 472.614 5.073 50 0 JKAAHM Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(-c2nc3ncccc3o2)c1[O-] ZINC000020980145 195258811 /nfs/dbraw/zinc/25/88/11/195258811.db2.gz FWSYFPFSYKWPAQ-GFCCVEGCSA-N -1 3 458.301 5.617 50 0 JKAAHM O=C(CN1c2ccccc2Sc2ncccc2C1=O)[N-]c1cc(-c2cccc(Cl)c2)no1 ZINC000021919979 195333548 /nfs/dbraw/zinc/33/35/48/195333548.db2.gz GOXUQIPLCQYRLL-UHFFFAOYSA-N -1 3 462.918 5.140 50 0 JKAAHM COC(=O)C[C@H](c1ccc(Cl)cc1)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000096335900 130072124 /nfs/dbraw/zinc/07/21/24/130072124.db2.gz KKKDIAYQJAKRGM-GOSISDBHSA-N -1 3 465.354 5.640 50 0 JKAAHM COC(=O)C[C@H](c1ccc(Cl)cc1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000096335888 130072169 /nfs/dbraw/zinc/07/21/69/130072169.db2.gz RFDWHVLRPWAHMB-MRXNPFEDSA-N -1 3 466.889 5.264 50 0 JKAAHM COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-] ZINC000102876552 130348928 /nfs/dbraw/zinc/34/89/28/130348928.db2.gz NAITZCJSJMMPRK-JOCHJYFZSA-N -1 3 471.395 6.652 50 0 JKAAHM CC(C)c1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1 ZINC000009490023 519837255 /nfs/dbraw/zinc/83/72/55/519837255.db2.gz XTUVUDBQSCDIFT-UHFFFAOYSA-N -1 3 488.400 5.270 50 0 JKAAHM CC(C)c1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1 ZINC000009490023 519837256 /nfs/dbraw/zinc/83/72/56/519837256.db2.gz XTUVUDBQSCDIFT-UHFFFAOYSA-N -1 3 488.400 5.270 50 0 JKAAHM CCCOC(=O)c1c([N-]C(=O)c2c(F)cccc2F)sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002768004 520221825 /nfs/dbraw/zinc/22/18/25/520221825.db2.gz JTAZRRHZNLRTTH-UHFFFAOYSA-N -1 3 471.569 7.118 50 0 JKAAHM CCCSc1nnc2c(n1)O[C@@H](c1cc(Br)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000002913063 520572939 /nfs/dbraw/zinc/57/29/39/520572939.db2.gz WDKUMVFZPNHYFL-SFHVURJKSA-N -1 3 475.368 5.021 50 0 JKAAHM CCN(CC)c1ccc2cc(-c3nnc([N-]c4ccc(Cl)cc4Cl)s3)c(=O)oc2c1 ZINC000002061497 520925695 /nfs/dbraw/zinc/92/56/95/520925695.db2.gz GMVWHAQXAFNBRL-UHFFFAOYSA-N -1 3 461.374 6.208 50 0 biogenic JKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1nc(SC(C)C)ncc1Cl ZINC000008613796 521371491 /nfs/dbraw/zinc/37/14/91/521371491.db2.gz DKASTYGJSUQZPU-UHFFFAOYSA-N -1 3 476.023 6.096 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)sc2c1CCCC2 ZINC000021786094 521418785 /nfs/dbraw/zinc/41/87/85/521418785.db2.gz ZOJRLCXGDIULEG-ZDUSSCGKSA-N -1 3 452.532 5.034 50 0 JKAAHM CCOc1ccccc1-c1nc(CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c(C)o1 ZINC000012412521 521439887 /nfs/dbraw/zinc/43/98/87/521439887.db2.gz CWMYPKVXRSEIJP-UHFFFAOYSA-N -1 3 473.558 5.072 50 0 biogenic,in-vitro JKAAHM CCOc1ccccc1NC(=O)c1cccc([N-]C(=O)c2nnc(COc3ccc(C)cc3)s2)c1 ZINC000033027830 521550326 /nfs/dbraw/zinc/55/03/26/521550326.db2.gz WNOWLHWSKUIQQR-UHFFFAOYSA-N -1 3 488.569 5.329 50 0 JKAAHM CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(Br)cc2)cc1[O-] ZINC000008973427 521568766 /nfs/dbraw/zinc/56/87/66/521568766.db2.gz VVOSFFGKSDZKMI-UHFFFAOYSA-N -1 3 481.346 6.315 50 0 JKAAHM CCCN(Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1)C[C@@H](O)COc1ccccc1C ZINC000036207782 521693614 /nfs/dbraw/zinc/69/36/14/521693614.db2.gz ZKCVJYWOEBIZOM-HXUWFJFHSA-N -1 3 498.048 5.265 50 0 JKAAHM COC(=O)c1c([N-]C(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)sc2c1CCCC2 ZINC000008613884 521786738 /nfs/dbraw/zinc/78/67/38/521786738.db2.gz NINNXHBHXZPSLM-UHFFFAOYSA-N -1 3 488.034 5.710 50 0 JKAAHM COc1cc(/C=C2\c3ccccc3C(=O)N(c3ccccc3C)C2=O)cc(Br)c1[O-] ZINC000033039489 521976392 /nfs/dbraw/zinc/97/63/92/521976392.db2.gz LPOISYBLGSTVSS-WOJGMQOQSA-N -1 3 464.315 5.199 50 0 JKAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c(C)s2)cs1 ZINC000033308444 522143462 /nfs/dbraw/zinc/14/34/62/522143462.db2.gz CYXVEINTQSTUQM-UHFFFAOYSA-N -1 3 457.440 5.614 50 0 JKAAHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl ZINC000016195780 522463826 /nfs/dbraw/zinc/46/38/26/522463826.db2.gz VRFYDXSNLNDSOJ-UHFFFAOYSA-N -1 3 490.781 5.678 50 0 JKAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c(OC)c1 ZINC000033173475 522530672 /nfs/dbraw/zinc/53/06/72/522530672.db2.gz MEDQUCIRYDKIGV-UHFFFAOYSA-N -1 3 476.860 5.140 50 0 JKAAHM COc1ccc(-c2csc3[n-]c(CN(C[C@@H](O)c4ccccc4)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206303 523174303 /nfs/dbraw/zinc/17/43/03/523174303.db2.gz KJYJXVJSKPMXML-XMMPIXPASA-N -1 3 489.641 5.529 50 0 JKAAHM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000033116539 523183362 /nfs/dbraw/zinc/18/33/62/523183362.db2.gz HTUIEXGWVAJXEF-UHFFFAOYSA-N -1 3 461.631 5.876 50 0 JKAAHM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1 ZINC000016246932 523334155 /nfs/dbraw/zinc/33/41/55/523334155.db2.gz DUJQUCGJTWBZFI-HXUWFJFHSA-N -1 3 465.358 5.120 50 0 JKAAHM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1 ZINC000016246934 523834529 /nfs/dbraw/zinc/83/45/29/523834529.db2.gz DUJQUCGJTWBZFI-FQEVSTJZSA-N -1 3 465.358 5.120 50 0 JKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1 ZINC000022698445 524016460 /nfs/dbraw/zinc/01/64/60/524016460.db2.gz WRWNRGPAQCZTNB-UHFFFAOYSA-N -1 3 459.575 5.635 50 0 JKAAHM Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)c1 ZINC000064930844 524144504 /nfs/dbraw/zinc/14/45/04/524144504.db2.gz RXEFJZYGTSUAMD-GOSISDBHSA-N -1 3 457.506 5.054 50 0 JKAAHM COc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000016626443 524224447 /nfs/dbraw/zinc/22/44/47/524224447.db2.gz LDVLULUTEVZNFG-UHFFFAOYSA-N -1 3 497.020 5.001 50 0 JKAAHM COc1ccc(Cn2c3cc(OC)ccc3c(CNCc3ccc(SC)cc3)c2C(=O)[O-])cc1 ZINC000008595249 524257726 /nfs/dbraw/zinc/25/77/26/524257726.db2.gz MFZIRAYYTKTEOS-UHFFFAOYSA-N -1 3 476.598 5.417 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c(C)c1 ZINC000033115532 524324240 /nfs/dbraw/zinc/32/42/40/524324240.db2.gz VFSOCNCRJUYNAI-UHFFFAOYSA-N -1 3 454.636 5.141 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC(C)C)cn3)cc2)cc1C ZINC000033138336 524325257 /nfs/dbraw/zinc/32/52/57/524325257.db2.gz DFUFYIIDVBSWRV-UHFFFAOYSA-N -1 3 469.632 5.097 50 0 JKAAHM COc1ccccc1CN1CCc2nc(SCc3nc(-c4ccc(C)cc4)oc3C)[n-]c(=O)c2C1 ZINC000033287204 524455362 /nfs/dbraw/zinc/45/53/62/524455362.db2.gz CIJMHJVNZGXIOK-UHFFFAOYSA-N -1 3 488.613 5.313 50 0 JKAAHM Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000010035193 524903639 /nfs/dbraw/zinc/90/36/39/524903639.db2.gz KFAFBACFYKDJOT-UHFFFAOYSA-N -1 3 484.002 5.523 50 0 JKAAHM Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1Cl ZINC000064930804 525128262 /nfs/dbraw/zinc/12/82/62/525128262.db2.gz AUDPSNMDKMCQHP-QGZVFWFLSA-N -1 3 477.924 5.399 50 0 JKAAHM Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)c(C)c1 ZINC000064930865 525132696 /nfs/dbraw/zinc/13/26/96/525132696.db2.gz UPEYTFAOWBXMFE-SFHVURJKSA-N -1 3 457.506 5.054 50 0 JKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccc(F)c(Cl)c1 ZINC000012371099 525265816 /nfs/dbraw/zinc/26/58/16/525265816.db2.gz UTEZTYBRNJDSAW-VWNXMTODSA-N -1 3 480.923 5.236 50 0 biogenic,in-vitro JKAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4cc(Cl)cc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000012402530 525267144 /nfs/dbraw/zinc/26/71/44/525267144.db2.gz CLMOVBXGSYWPNR-FBLLAGFSSA-N -1 3 483.351 5.443 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)c(C)c2)cc1 ZINC000002882915 525301803 /nfs/dbraw/zinc/30/18/03/525301803.db2.gz UEJYQVOCDYNNRJ-UHFFFAOYSA-N -1 3 458.967 5.084 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)cc1 ZINC000006229169 525302436 /nfs/dbraw/zinc/30/24/36/525302436.db2.gz GLCDTFNDLPLWFS-SANMLTNESA-N -1 3 488.634 6.268 50 0 JKAAHM COc1ccc([C@H]2CC(c3c([O-])c4ccccc4oc3=O)=NCCN2Cc2cccc(C)c2)cc1 ZINC000020442885 525404587 /nfs/dbraw/zinc/40/45/87/525404587.db2.gz XQSXURWWANVWKV-RUZDIDTESA-N -1 3 468.553 5.252 50 0 JKAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccc(F)c(Cl)c1 ZINC000012371098 525430675 /nfs/dbraw/zinc/43/06/75/525430675.db2.gz UTEZTYBRNJDSAW-ISKFKSNPSA-N -1 3 480.923 5.236 50 0 biogenic,in-vitro JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000016361108 525609877 /nfs/dbraw/zinc/60/98/77/525609877.db2.gz QTABOHZNUCWNAJ-UHFFFAOYSA-N -1 3 450.347 5.747 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CN(C[C@@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1C ZINC000036205309 525785166 /nfs/dbraw/zinc/78/51/66/525785166.db2.gz QOTFZJYDPWLAJI-QFIPXVFZSA-N -1 3 461.631 5.082 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CN(CC(C)C)C[C@H](O)c4ccccc4)nc(=O)c23)cc1C ZINC000036205184 525786220 /nfs/dbraw/zinc/78/62/20/525786220.db2.gz VVPDDLFMTJNGPW-QHCPKHFHSA-N -1 3 461.631 5.460 50 0 JKAAHM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c2oc1C(=O)N1CCCCC1 ZINC000065010643 525941959 /nfs/dbraw/zinc/94/19/59/525941959.db2.gz HYEAOYQUJFOARM-UHFFFAOYSA-N -1 3 475.010 5.747 50 0 JKAAHM COc1cccc(CNCc2c3ccc(C)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])c1OC ZINC000008588898 526023889 /nfs/dbraw/zinc/02/38/89/526023889.db2.gz UAUAHQQZUMKHER-UHFFFAOYSA-N -1 3 458.558 5.312 50 0 JKAAHM CSc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)c1 ZINC000064930828 526121091 /nfs/dbraw/zinc/12/10/91/526121091.db2.gz ZIBYTTZCLQTBFY-QGZVFWFLSA-N -1 3 475.546 5.160 50 0 JKAAHM Cc1ccc(C)c(-c2csc3[n-]c(CN(CC(C)C)C[C@H](O)COc4ccccc4)nc(=O)c23)c1 ZINC000036207986 526256148 /nfs/dbraw/zinc/25/61/48/526256148.db2.gz HUTLOAGOFYCAGR-NRFANRHFSA-N -1 3 491.657 5.166 50 0 JKAAHM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000033078528 526351284 /nfs/dbraw/zinc/35/12/84/526351284.db2.gz XEFNADXYCRTMNJ-UHFFFAOYSA-N -1 3 497.620 5.610 50 0 JKAAHM Cc1oc(-c2cccc(Br)c2)nc1CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1 ZINC000046031427 526733455 /nfs/dbraw/zinc/73/34/55/526733455.db2.gz QZXVNYDGJNFNEF-UHFFFAOYSA-N -1 3 494.374 5.127 50 0 JKAAHM Cc1sc2[n-]c(C(=Cc3cccc(OCc4ccccc4)c3)C(=O)N3CCCC3)nc(=O)c2c1C ZINC000033497045 526889267 /nfs/dbraw/zinc/88/92/67/526889267.db2.gz LTKMAYUWYJIISN-KQWNVCNZSA-N -1 3 485.609 5.343 50 0 JKAAHM Cc1sc2[n-]c(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012860140 526890830 /nfs/dbraw/zinc/89/08/30/526890830.db2.gz OJPALDNORIVKKF-UHFFFAOYSA-N -1 3 474.630 5.264 50 0 JKAAHM O=C1C(=O)N(c2nnc(SCc3ccccc3)[n-]2)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045928486 526958910 /nfs/dbraw/zinc/95/89/10/526958910.db2.gz NODQUBRAOVPPRD-OAQYLSRUSA-N -1 3 474.973 5.808 50 0 JKAAHM O=C1C(=O)N(c2nc(SCc3ccccc3)n[n-]2)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045928486 526958916 /nfs/dbraw/zinc/95/89/16/526958916.db2.gz NODQUBRAOVPPRD-OAQYLSRUSA-N -1 3 474.973 5.808 50 0 JKAAHM O=C1C(=O)N(c2n[n-]c(SCc3ccccc3)n2)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045928486 526958923 /nfs/dbraw/zinc/95/89/23/526958923.db2.gz NODQUBRAOVPPRD-OAQYLSRUSA-N -1 3 474.973 5.808 50 0 JKAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)cc(NC2CCCCC2)n1 ZINC000033326938 527005035 /nfs/dbraw/zinc/00/50/35/527005035.db2.gz YDZQKNKVZWOZQS-UHFFFAOYSA-N -1 3 473.549 5.352 50 0 JKAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc(NC2CCCCC2)n1 ZINC000033326917 527005575 /nfs/dbraw/zinc/00/55/75/527005575.db2.gz UCMDZCWLPHMGEZ-UHFFFAOYSA-N -1 3 455.559 5.213 50 0 JKAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000002876339 527079448 /nfs/dbraw/zinc/07/94/48/527079448.db2.gz SHSAQGZTENGXPR-UHFFFAOYSA-N -1 3 494.576 6.163 50 0 JKAAHM O=C(Nc1cc(Br)ccc1[O-])c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002873046 527101538 /nfs/dbraw/zinc/10/15/38/527101538.db2.gz MGMKFEGUEOJVRC-UHFFFAOYSA-N -1 3 483.269 5.197 50 0 JKAAHM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000002882829 527180386 /nfs/dbraw/zinc/18/03/86/527180386.db2.gz CVBWOTUPQMCKRL-UHFFFAOYSA-N -1 3 470.765 6.092 50 0 JKAAHM O=S(=O)([N-]c1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccc(C2CCCCC2)cc1 ZINC000033116567 527251975 /nfs/dbraw/zinc/25/19/75/527251975.db2.gz SKRXFZCXJFOIHT-UHFFFAOYSA-N -1 3 459.615 6.197 50 0 JKAAHM O=C([N-]c1ccccc1F)c1nnc(COc2ccc(C(=O)NCCC3=CCCCC3)cc2)s1 ZINC000033114324 527423379 /nfs/dbraw/zinc/42/33/79/527423379.db2.gz HLYLTQNSTSZVQI-UHFFFAOYSA-N -1 3 480.565 5.129 50 0 JKAAHM Cc1nn(-c2ccc(Br)cc2)c2c1C(=C([O-])c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056964 527520273 /nfs/dbraw/zinc/52/02/73/527520273.db2.gz OSSXUMYRERKPQE-FQEVSTJZSA-N -1 3 460.331 5.405 50 0 JKAAHM COC(=O)C[C@@H](c1ccc(Cl)cc1)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000096335899 536313567 /nfs/dbraw/zinc/31/35/67/536313567.db2.gz KKKDIAYQJAKRGM-SFHVURJKSA-N -1 3 465.354 5.640 50 0 JKAAHM CCOC(=O)c1sc([N-]C(=O)c2sc3ccccc3c2Cl)c(C(=O)OCC)c1C ZINC000000647754 553728760 /nfs/dbraw/zinc/72/87/60/553728760.db2.gz RAMWOUIWVHPANM-UHFFFAOYSA-N -1 3 451.953 5.530 50 0 JKAAHM COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4[O-])c3N2)cc1OC ZINC000000674822 553748366 /nfs/dbraw/zinc/74/83/66/553748366.db2.gz ZDCPIAMBTSTQSJ-IFXJQAMLSA-N -1 3 496.873 5.172 50 0 JKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc4ccccc43)cc2)cc1 ZINC000000675081 553748991 /nfs/dbraw/zinc/74/89/91/553748991.db2.gz AJKXAMTVUHHPPG-UHFFFAOYSA-N -1 3 476.554 5.057 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2Cl)csc1[N-]C(=O)c1ccc(Br)o1 ZINC000000675840 553749573 /nfs/dbraw/zinc/74/95/73/553749573.db2.gz FKNXXPZPOWARNC-UHFFFAOYSA-N -1 3 454.729 5.853 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1C ZINC000000677078 553750852 /nfs/dbraw/zinc/75/08/52/553750852.db2.gz STRGYDDFJIWFHN-UHFFFAOYSA-N 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CCCCc1ccc(-c2c(C)sc([N-]C(=O)c3c(F)cccc3F)c2C(=O)OCC)cc1 ZINC000002767404 554334445 /nfs/dbraw/zinc/33/44/45/554334445.db2.gz DJEJAMVHOMVSRT-UHFFFAOYSA-N -1 3 457.542 6.773 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2c(F)cccc2F)sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002767378 554334520 /nfs/dbraw/zinc/33/45/20/554334520.db2.gz LHUHIUNAUOTJMG-UHFFFAOYSA-N -1 3 457.542 6.728 50 0 JKAAHM CCCC[C@@H](CC)c1nnc([N-]C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)s1 ZINC000002781900 554342144 /nfs/dbraw/zinc/34/21/44/554342144.db2.gz MKVVGQIAROEZQA-GFCCVEGCSA-N -1 3 494.568 6.264 50 0 JKAAHM CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000002854964 554382329 /nfs/dbraw/zinc/38/23/29/554382329.db2.gz ZCGTVHVBSXWEBD-UHFFFAOYSA-N -1 3 465.575 5.177 50 0 aggregator JKAAHM CCOC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1 ZINC000002855891 554382901 /nfs/dbraw/zinc/38/29/01/554382901.db2.gz YCEMRKDSUZWKAS-UHFFFAOYSA-N -1 3 481.574 5.233 50 0 JKAAHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000002879291 554400631 /nfs/dbraw/zinc/40/06/31/554400631.db2.gz NTFKMXHOUBXWJM-CQSZACIVSA-N -1 3 481.426 5.450 50 0 JKAAHM COc1c(F)c(F)c(C(=O)[N-]c2nc(-c3ccc(Br)cc3)cs2)c(F)c1F ZINC000002879998 554401652 /nfs/dbraw/zinc/40/16/52/554401652.db2.gz CZVKIJDILJUELO-UHFFFAOYSA-N -1 3 461.234 5.390 50 0 JKAAHM CCc1c2c(N)c(C(=O)[N-]c3nsc(-c4ccccc4)n3)sc2nc2c1C(=O)CC(C)(C)C2 ZINC000002889114 554407873 /nfs/dbraw/zinc/40/78/73/554407873.db2.gz SOCICMUTYZHVHJ-UHFFFAOYSA-N -1 3 477.615 5.367 50 0 JKAAHM CCN(CC)c1ccc2cc(-c3nnc([N-]c4cc(C(F)(F)F)ccc4Cl)s3)c(=O)oc2c1 ZINC000002956107 554412891 /nfs/dbraw/zinc/41/28/91/554412891.db2.gz GJRSRSZAQKMGCK-UHFFFAOYSA-N -1 3 494.926 6.574 50 0 JKAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N(CC)CC)cc3)ccc2C)cc1 ZINC000003260203 554438636 /nfs/dbraw/zinc/43/86/36/554438636.db2.gz JQYKYBABWIECMO-UHFFFAOYSA-N -1 3 481.618 5.293 50 0 JKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C)c3C)c2)cc1 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C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3Oc3ccc(C(=O)OC)cc3)c([O-])c2)cc1 ZINC000009128899 554926170 /nfs/dbraw/zinc/92/61/70/554926170.db2.gz PQEDPOROBBKTQR-UHFFFAOYSA-N -1 3 456.498 5.892 50 0 JKAAHM COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1 ZINC000009129110 554926877 /nfs/dbraw/zinc/92/68/77/554926877.db2.gz CZZGXWAYRUMWGA-UHFFFAOYSA-N -1 3 450.878 5.594 50 0 JKAAHM CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc([N-]c3ccccc3F)s2)c2ccccc2)c1 ZINC000009129340 554927316 /nfs/dbraw/zinc/92/73/16/554927316.db2.gz GAQLIHRBRMKQTG-OAQYLSRUSA-N -1 3 478.574 6.096 50 0 JKAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])c1 ZINC000009130715 554930660 /nfs/dbraw/zinc/93/06/60/554930660.db2.gz ZIHMZLVDEAGJKT-UHFFFAOYSA-N -1 3 454.885 6.263 50 0 JKAAHM COc1ccc(OC)c(CNCc2c3ccccc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])c1 ZINC000009152416 554940207 /nfs/dbraw/zinc/94/02/07/554940207.db2.gz PIVCHADEKJPRAD-UHFFFAOYSA-N -1 3 482.939 5.487 50 0 JKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2[O-])cc1OC 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487.610 5.597 50 0 JKAAHM COc1ccc(OC)c(CNCc2c3ccc(C)cc3n(Cc3ccccc3C)c2C(=O)[O-])c1 ZINC000009274840 555047641 /nfs/dbraw/zinc/04/76/41/555047641.db2.gz XTBUOHLKXIQQIH-UHFFFAOYSA-N -1 3 458.558 5.312 50 0 JKAAHM Cc1ccc2c(c1)n(Cc1ccc(F)cc1Cl)c(C(=O)[O-])c2CNCc1ccccc1Cl ZINC000009275028 555047825 /nfs/dbraw/zinc/04/78/25/555047825.db2.gz YQKGAPAZEZVAEQ-UHFFFAOYSA-N -1 3 471.359 6.432 50 0 JKAAHM COc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccc(SC)cc3)c2C(=O)[O-])cc1 ZINC000009274979 555047819 /nfs/dbraw/zinc/04/78/19/555047819.db2.gz QBRKPGXHBHNETD-UHFFFAOYSA-N -1 3 460.599 5.717 50 0 JKAAHM COc1ccc(CNCc2c3ccc(C)cc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])cc1 ZINC000009275041 555047866 /nfs/dbraw/zinc/04/78/66/555047866.db2.gz SQNRLAHIULJVPS-UHFFFAOYSA-N -1 3 466.940 5.787 50 0 JKAAHM C=Cc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccc(OC)cc3OC)c2C(=O)[O-])cc1 ZINC000009275018 555047876 /nfs/dbraw/zinc/04/78/76/555047876.db2.gz BATXWCBPIUFENO-UHFFFAOYSA-N -1 3 470.569 5.646 50 0 JKAAHM Cc1ccc2c(c1)n(Cc1ccc(F)cc1Cl)c(C(=O)[O-])c2CNCc1ccc(Cl)cc1 ZINC000009275031 555047890 /nfs/dbraw/zinc/04/78/90/555047890.db2.gz FFSPAFIIBSSECR-UHFFFAOYSA-N -1 3 471.359 6.432 50 0 JKAAHM Cc1ccc2c(c1)n(Cc1ccc(F)cc1Cl)c(C(=O)[O-])c2CNCc1cccc(F)c1 ZINC000009275049 555048092 /nfs/dbraw/zinc/04/80/92/555048092.db2.gz AKYPIBRKSJQFTM-UHFFFAOYSA-N -1 3 454.904 5.918 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000009281271 555050570 /nfs/dbraw/zinc/05/05/70/555050570.db2.gz ZDJLGAQDLXRNTG-NJDAHSKKSA-N -1 3 483.749 5.154 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Br)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000009281984 555051663 /nfs/dbraw/zinc/05/16/63/555051663.db2.gz ZSNSUJOGBHDYGJ-QHAWAJNXSA-N -1 3 483.749 5.154 50 0 JKAAHM O=C(COc1ccccc1)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)cc1 ZINC000009287779 555061249 /nfs/dbraw/zinc/06/12/49/555061249.db2.gz XAZZFNFNIWPTPQ-UHFFFAOYSA-N -1 3 480.476 5.003 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000009291612 555065970 /nfs/dbraw/zinc/06/59/70/555065970.db2.gz BTMFSNWJQHGSAJ-NJDAHSKKSA-N -1 3 457.288 5.184 50 0 JKAAHM Cc1ccc(S(=O)(=O)n2nc(/C=C/c3ccc(Br)cc3)nc2-c2ccccc2[O-])cc1 ZINC000009306864 555079742 /nfs/dbraw/zinc/07/97/42/555079742.db2.gz UOLLRQVMZLHGJI-XNTDXEJSSA-N -1 3 496.386 5.129 50 0 JKAAHM COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccccc5[O-])nc4c32)cc1 ZINC000009350971 555117399 /nfs/dbraw/zinc/11/73/99/555117399.db2.gz YSIHKVHFTAGTIS-XMMPIXPASA-N -1 3 472.504 5.945 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000009358430 555122835 /nfs/dbraw/zinc/12/28/35/555122835.db2.gz LODGTGWMDUNYSX-QHAWAJNXSA-N -1 3 483.749 5.154 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009376190 555136947 /nfs/dbraw/zinc/13/69/47/555136947.db2.gz YBMYHOWVPNEOEC-UHFFFAOYSA-N -1 3 479.562 5.404 50 0 JKAAHM 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CCOc1cc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000009679027 555403394 /nfs/dbraw/zinc/40/33/94/555403394.db2.gz VMPSBQSSPVIIRF-RUZDIDTESA-N -1 3 459.933 5.893 50 0 JKAAHM COc1ccccc1[C@H]1c2c(-c3ccc(Br)cc3)n[n-]c2C(=O)N1c1ccc(Cl)cc1 ZINC000009678972 555403449 /nfs/dbraw/zinc/40/34/49/555403449.db2.gz VASMHCBBKQASID-QHCPKHFHSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccccc1[C@H]1c2c(n[n-]c2-c2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000009678972 555403452 /nfs/dbraw/zinc/40/34/52/555403452.db2.gz VASMHCBBKQASID-QHCPKHFHSA-N -1 3 494.776 6.251 50 0 JKAAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000009678977 555403492 /nfs/dbraw/zinc/40/34/92/555403492.db2.gz DZYJPFFYEUFHCG-QFIPXVFZSA-N -1 3 482.740 6.382 50 0 JKAAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000009678977 555403494 /nfs/dbraw/zinc/40/34/94/555403494.db2.gz DZYJPFFYEUFHCG-QFIPXVFZSA-N -1 3 482.740 6.382 50 0 JKAAHM 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COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(C)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679040 555403785 /nfs/dbraw/zinc/40/37/85/555403785.db2.gz IULHFUFVCQODME-DEOSSOPVSA-N -1 3 474.358 5.906 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(F)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679048 555403968 /nfs/dbraw/zinc/40/39/68/555403968.db2.gz KWIOGFVMHFUYCN-QHCPKHFHSA-N -1 3 478.321 5.737 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(F)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679048 555403970 /nfs/dbraw/zinc/40/39/70/555403970.db2.gz KWIOGFVMHFUYCN-QHCPKHFHSA-N -1 3 478.321 5.737 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679240 555404801 /nfs/dbraw/zinc/40/48/01/555404801.db2.gz PGSBRKOTLKCQEH-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679240 555404803 /nfs/dbraw/zinc/40/48/03/555404803.db2.gz PGSBRKOTLKCQEH-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009679204 555404884 /nfs/dbraw/zinc/40/48/84/555404884.db2.gz BPXHHYFCSGWWRS-HSZRJFAPSA-N -1 3 460.331 5.603 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009679204 555404887 /nfs/dbraw/zinc/40/48/87/555404887.db2.gz BPXHHYFCSGWWRS-HSZRJFAPSA-N -1 3 460.331 5.603 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679221 555404896 /nfs/dbraw/zinc/40/48/96/555404896.db2.gz YGPSFQCSZQIZCJ-DEOSSOPVSA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679221 555404900 /nfs/dbraw/zinc/40/49/00/555404900.db2.gz YGPSFQCSZQIZCJ-DEOSSOPVSA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679315 555405302 /nfs/dbraw/zinc/40/53/02/555405302.db2.gz FTMUXUKUHSLWHN-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679315 555405304 /nfs/dbraw/zinc/40/53/04/555405304.db2.gz FTMUXUKUHSLWHN-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679288 555405310 /nfs/dbraw/zinc/40/53/10/555405310.db2.gz UETVNOVVXCVGFO-AREMUKBSSA-N -1 3 483.524 5.026 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679288 555405312 /nfs/dbraw/zinc/40/53/12/555405312.db2.gz UETVNOVVXCVGFO-AREMUKBSSA-N -1 3 483.524 5.026 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679286 555405331 /nfs/dbraw/zinc/40/53/31/555405331.db2.gz ZBNDBVRXCUNUBP-MHZLTWQESA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679286 555405335 /nfs/dbraw/zinc/40/53/35/555405335.db2.gz ZBNDBVRXCUNUBP-MHZLTWQESA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679261 555405468 /nfs/dbraw/zinc/40/54/68/555405468.db2.gz LHRDBNZMYSOSJA-VWLOTQADSA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679261 555405471 /nfs/dbraw/zinc/40/54/71/555405471.db2.gz LHRDBNZMYSOSJA-VWLOTQADSA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000009679326 555405719 /nfs/dbraw/zinc/40/57/19/555405719.db2.gz GQBWHNDDPMPUSY-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000009679326 555405720 /nfs/dbraw/zinc/40/57/20/555405720.db2.gz GQBWHNDDPMPUSY-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679334 555405753 /nfs/dbraw/zinc/40/57/53/555405753.db2.gz OAGULMQPSOPTKK-RUZDIDTESA-N -1 3 471.488 5.151 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679334 555405755 /nfs/dbraw/zinc/40/57/55/555405755.db2.gz OAGULMQPSOPTKK-RUZDIDTESA-N -1 3 471.488 5.151 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679331 555405797 /nfs/dbraw/zinc/40/57/97/555405797.db2.gz PHZLFXGVWPUQEO-RUZDIDTESA-N -1 3 487.943 5.665 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679331 555405799 /nfs/dbraw/zinc/40/57/99/555405799.db2.gz PHZLFXGVWPUQEO-RUZDIDTESA-N -1 3 487.943 5.665 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000009679379 555405805 /nfs/dbraw/zinc/40/58/05/555405805.db2.gz RKZDYXNZKGCEFS-SANMLTNESA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000009679379 555405806 /nfs/dbraw/zinc/40/58/06/555405806.db2.gz RKZDYXNZKGCEFS-SANMLTNESA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000009679420 555406321 /nfs/dbraw/zinc/40/63/21/555406321.db2.gz RVOYICRSUSJEDQ-MUUNZHRXSA-N -1 3 495.579 5.964 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000009679420 555406323 /nfs/dbraw/zinc/40/63/23/555406323.db2.gz RVOYICRSUSJEDQ-MUUNZHRXSA-N -1 3 495.579 5.964 50 0 JKAAHM COc1ccc([C@@H]2CCCN2Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c(OC)c1 ZINC000009683698 555412130 /nfs/dbraw/zinc/41/21/30/555412130.db2.gz WXEYXZXWDLUMNU-FQEVSTJZSA-N -1 3 465.550 5.145 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 ZINC000009597854 555415015 /nfs/dbraw/zinc/41/50/15/555415015.db2.gz NTAPDEOOEPSPJB-UHFFFAOYSA-N -1 3 478.526 5.516 50 0 JKAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000009597893 555415071 /nfs/dbraw/zinc/41/50/71/555415071.db2.gz BGVJBBQMBUGVDM-UHFFFAOYSA-N -1 3 467.330 5.650 50 0 JKAAHM CCCCSc1nnc2c(n1)OC(=C([O-])c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000009601906 555427554 /nfs/dbraw/zinc/42/75/54/555427554.db2.gz JCCJIPROYMOUPF-FQEVSTJZSA-N -1 3 471.380 5.207 50 0 JKAAHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000009615067 555452077 /nfs/dbraw/zinc/45/20/77/555452077.db2.gz BYEZGBKATXPYQL-UHFFFAOYSA-N -1 3 457.770 5.362 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000013513036 555484062 /nfs/dbraw/zinc/48/40/62/555484062.db2.gz QWXNRGCHBHSMDQ-QHAWAJNXSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000013513762 555484571 /nfs/dbraw/zinc/48/45/71/555484571.db2.gz MQPPHYGHLMXTPS-XPWALMASSA-N -1 3 490.346 5.593 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(-c4ccc(O)cc4)c3)ccc2C)cc1 ZINC000013526431 555487535 /nfs/dbraw/zinc/48/75/35/555487535.db2.gz XVHLNZGWBPQJLY-UHFFFAOYSA-N -1 3 488.565 5.429 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000013582358 555520118 /nfs/dbraw/zinc/52/01/18/555520118.db2.gz CIVBBXOPQCRVEW-QHAWAJNXSA-N -1 3 483.749 5.154 50 0 JKAAHM O=c1c2cc(Br)ccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1ccccc1 ZINC000013583825 555521078 /nfs/dbraw/zinc/52/10/78/555521078.db2.gz NJJNOQGJIUPPRW-IZZDOVSWSA-N -1 3 498.174 5.787 50 0 JKAAHM Cc1cc(C(=O)[N-]c2sc3c(c2-c2nc4ccccc4s2)CCN(Cc2ccccc2)C3)on1 ZINC000013595644 555528838 /nfs/dbraw/zinc/52/88/38/555528838.db2.gz IDLOGOWGBQTGOK-UHFFFAOYSA-N -1 3 486.622 6.132 50 0 JKAAHM Cc1ccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@]([O-])(C(F)(F)F)C2)cc1 ZINC000013643029 555548510 /nfs/dbraw/zinc/54/85/10/555548510.db2.gz SWQMOURZLDBMPT-GOSISDBHSA-N -1 3 472.414 5.398 50 0 JKAAHM COc1ccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@@]([O-])(C(F)(F)F)C2)cc1 ZINC000013643081 555548713 /nfs/dbraw/zinc/54/87/13/555548713.db2.gz COCMYVNUOJBDGT-SFHVURJKSA-N -1 3 488.413 5.098 50 0 JKAAHM COc1cccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccc(C)cc4)C[C@@]3([O-])C(F)(F)F)n2)c1 ZINC000013643087 555548790 /nfs/dbraw/zinc/54/87/90/555548790.db2.gz UCIZKSFSFVJEIL-OAQYLSRUSA-N -1 3 496.411 5.345 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3nc4ccccc4s3)ccc2C)c(C)c1 ZINC000009957244 555565239 /nfs/dbraw/zinc/56/52/39/555565239.db2.gz WFVBELSQGQWONV-UHFFFAOYSA-N -1 3 479.627 5.594 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4ccco4)n3C3CCCCC3)nc(=O)c2c1C ZINC000010015169 555595585 /nfs/dbraw/zinc/59/55/85/555595585.db2.gz QPZWVZPOHJKPLX-UHFFFAOYSA-N -1 3 469.592 5.145 50 0 JKAAHM Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000010026214 555599297 /nfs/dbraw/zinc/59/92/97/555599297.db2.gz SHNDJYYTOAZJHM-UHFFFAOYSA-N -1 3 473.576 5.372 50 0 JKAAHM COc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000010027209 555599863 /nfs/dbraw/zinc/59/98/63/555599863.db2.gz JNHLLBFBHYJYBZ-UHFFFAOYSA-N -1 3 485.005 5.209 50 0 JKAAHM Cc1sc2[n-]c(CSc3nnc(C4CCCCC4)o3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000010028529 555600536 /nfs/dbraw/zinc/60/05/36/555600536.db2.gz HNQPNHHEGAHVAI-UHFFFAOYSA-N -1 3 452.605 5.991 50 0 JKAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1csc(-c2cccs2)n1 ZINC000010029391 555600834 /nfs/dbraw/zinc/60/08/34/555600834.db2.gz GPHIRFVMUSSICR-UHFFFAOYSA-N -1 3 459.549 5.064 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013751734 555610023 /nfs/dbraw/zinc/61/00/23/555610023.db2.gz WAPOCQCSDFBCDR-SVFBPWRDSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000013758127 555611637 /nfs/dbraw/zinc/61/16/37/555611637.db2.gz XIFURGHXVMAHFD-NJDAHSKKSA-N -1 3 473.743 5.698 50 0 JKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000010060018 555611792 /nfs/dbraw/zinc/61/17/92/555611792.db2.gz NUUGLEVIQWIASR-UHFFFAOYSA-N -1 3 458.967 5.354 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000013758551 555611869 /nfs/dbraw/zinc/61/18/69/555611869.db2.gz BKYIARLKJGAZHF-UBFVSLLYSA-N -1 3 489.358 6.198 50 0 JKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013770510 555614579 /nfs/dbraw/zinc/61/45/79/555614579.db2.gz UWYACZATRJHYMB-CYXNTTPDSA-N -1 3 490.531 5.064 50 0 JKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013770822 555614919 /nfs/dbraw/zinc/61/49/19/555614919.db2.gz PCHRNFDRVIKOHO-BDTNDASRSA-N -1 3 453.325 5.353 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000013776703 555616750 /nfs/dbraw/zinc/61/67/50/555616750.db2.gz BMXLBVHMRKTPIY-UBFVSLLYSA-N -1 3 454.457 5.137 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000013803840 555622196 /nfs/dbraw/zinc/62/21/96/555622196.db2.gz ZYRXTCLITDHOAN-NJDAHSKKSA-N -1 3 488.849 5.290 50 0 JKAAHM CCc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000013936301 555648928 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CCc1cc2c(ncnc2SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[n-]2)s1 ZINC000012934158 556149953 /nfs/dbraw/zinc/14/99/53/556149953.db2.gz KPUOBXPGWMGJDX-UHFFFAOYSA-N -1 3 456.643 5.881 50 0 JKAAHM C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CSCc2nc(=O)c3c(-c4cccs4)csc3[n-]2)o1 ZINC000024761381 556151921 /nfs/dbraw/zinc/15/19/21/556151921.db2.gz OCNHLAZEELMYAZ-DZGCQCFKSA-N -1 3 485.656 5.321 50 0 JKAAHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000012971342 556163133 /nfs/dbraw/zinc/16/31/33/556163133.db2.gz DIXNPKOBIHIEOF-UHFFFAOYSA-N -1 3 491.375 5.168 50 0 JKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccc(O)cc2)cs1 ZINC000016949288 556183528 /nfs/dbraw/zinc/18/35/28/556183528.db2.gz APHNHOZAMQPONC-QFIPXVFZSA-N -1 3 455.461 5.534 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000025145177 556183796 /nfs/dbraw/zinc/18/37/96/556183796.db2.gz AENUROKAXCAPJM-GFCCVEGCSA-N -1 3 495.469 6.145 50 0 JKAAHM COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccc(C)cc3)cs2)[C@]1([O-])C(F)(F)F ZINC000016957597 556188511 /nfs/dbraw/zinc/18/85/11/556188511.db2.gz UQVISVWRDXXJCH-XMSQKQJNSA-N -1 3 459.493 5.165 50 0 JKAAHM COc1ccc2c(c1)CC[C@H]1C2=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@@]1([O-])C(F)(F)F ZINC000016957614 556188890 /nfs/dbraw/zinc/18/88/90/556188890.db2.gz WZFKUWONJMCCRH-UWJYYQICSA-N -1 3 479.911 5.510 50 0 JKAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1C ZINC000017010367 556200104 /nfs/dbraw/zinc/20/01/04/556200104.db2.gz MUQPQHFNBKDGAL-UHFFFAOYSA-N -1 3 489.601 5.698 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1C ZINC000017011352 556201041 /nfs/dbraw/zinc/20/10/41/556201041.db2.gz AMVIKVJMSAUBJH-UHFFFAOYSA-N -1 3 475.574 5.390 50 0 JKAAHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Nc4nc(C)cc(N5CCCCC5)n4)cc3)cc2s1 ZINC000017013836 556203813 /nfs/dbraw/zinc/20/38/13/556203813.db2.gz DGZJRDHNWDNCJA-UHFFFAOYSA-N -1 3 494.646 5.238 50 0 JKAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c1 ZINC000017026561 556206577 /nfs/dbraw/zinc/20/65/77/556206577.db2.gz XZIDCXSBOPCEJB-UHFFFAOYSA-N -1 3 459.575 5.690 50 0 JKAAHM CC(C)c1nnc([N-]C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)s1 ZINC000025323548 556208405 /nfs/dbraw/zinc/20/84/05/556208405.db2.gz IZJJDRCERGFKLU-UHFFFAOYSA-N -1 3 461.330 5.021 50 0 JKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)cc3)n2)cc1 ZINC000017042831 556209537 /nfs/dbraw/zinc/20/95/37/556209537.db2.gz OUCPMUXMYZDARM-UHFFFAOYSA-N -1 3 487.629 6.307 50 0 JKAAHM CCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000025406949 556214055 /nfs/dbraw/zinc/21/40/55/556214055.db2.gz QXJYATAWBQGJRS-UHFFFAOYSA-N -1 3 463.588 5.175 50 0 JKAAHM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C(C)C)ccc3C)cc2)n1 ZINC000017121392 556219562 /nfs/dbraw/zinc/21/95/62/556219562.db2.gz UMIOGSADUJZBMR-UHFFFAOYSA-N -1 3 487.629 6.505 50 0 JKAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C(C)C)ccc3C)cc2)n1 ZINC000017121377 556219596 /nfs/dbraw/zinc/21/95/96/556219596.db2.gz IDSHCOXPJAFMPY-UHFFFAOYSA-N -1 3 465.623 5.361 50 0 JKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3)n2)cc1 ZINC000017135504 556221594 /nfs/dbraw/zinc/22/15/94/556221594.db2.gz CWANFSYOYVUQSM-UHFFFAOYSA-N -1 3 475.574 5.390 50 0 JKAAHM O=c1nc(CN2CCN(c3cccc(Cl)c3)CC2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000013040041 556242322 /nfs/dbraw/zinc/24/23/22/556242322.db2.gz PBFGVSKBWKPNFD-UHFFFAOYSA-N -1 3 471.413 5.281 50 0 JKAAHM CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1 ZINC000013041323 556246567 /nfs/dbraw/zinc/24/65/67/556246567.db2.gz XXYNZBXGJZRELT-HSZRJFAPSA-N -1 3 469.006 5.511 50 0 JKAAHM CCN1CCc2c(sc([N-]C(=O)c3nc4ccccc4s3)c2-c2nc3ccccc3s2)C1 ZINC000017288802 556251729 /nfs/dbraw/zinc/25/17/29/556251729.db2.gz WKXCMGVJWXBWCS-UHFFFAOYSA-N -1 3 476.652 6.265 50 0 JKAAHM Cc1sc2[n-]c(CN(C)[C@@H](C)c3ccc(-n4cncn4)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000017306179 556253774 /nfs/dbraw/zinc/25/37/74/556253774.db2.gz NXTPPTRQKHZAJU-KRWDZBQOSA-N -1 3 470.602 5.042 50 0 JKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1 ZINC000017308124 556255939 /nfs/dbraw/zinc/25/59/39/556255939.db2.gz UPLCJEJDUYZLQM-UHFFFAOYSA-N -1 3 475.574 5.472 50 0 JKAAHM COc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3Cl)[n-]c2=S)c(OC)c1OC ZINC000013073726 556273989 /nfs/dbraw/zinc/27/39/89/556273989.db2.gz FARVMGQGLTVZGV-UHFFFAOYSA-N -1 3 469.394 5.030 50 0 JKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018010688 556276072 /nfs/dbraw/zinc/27/60/72/556276072.db2.gz LSOWSSNQULASJV-ZLNRFVROSA-N -1 3 499.350 5.062 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000018056195 556280624 /nfs/dbraw/zinc/28/06/24/556280624.db2.gz VMZODESNPGWALM-NJDAHSKKSA-N -1 3 472.850 5.410 50 0 JKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018068964 556283377 /nfs/dbraw/zinc/28/33/77/556283377.db2.gz HRXCMALIDFAQLU-NXCFDTQHSA-N -1 3 490.531 5.064 50 0 JKAAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000018068431 556283459 /nfs/dbraw/zinc/28/34/59/556283459.db2.gz HYGAUVLNAWWTMG-SJBKTWHCSA-N -1 3 469.324 5.053 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000018084725 556285571 /nfs/dbraw/zinc/28/55/71/556285571.db2.gz JHWYEMZUASUQBO-QHAWAJNXSA-N -1 3 457.288 5.184 50 0 JKAAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018099649 556287413 /nfs/dbraw/zinc/28/74/13/556287413.db2.gz COLRNCLXYGUNNM-VSKRKVRLSA-N -1 3 469.324 5.053 50 0 JKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H]3c3cccs3)c2)cc1 ZINC000013096233 556289955 /nfs/dbraw/zinc/28/99/55/556289955.db2.gz ITMCFSICHFRJOU-XMMPIXPASA-N -1 3 482.671 6.177 50 0 JKAAHM Cc1c2ccc(Br)cc2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000027662212 556301687 /nfs/dbraw/zinc/30/16/87/556301687.db2.gz WDFNPHLUVFSNBH-UHFFFAOYSA-N -1 3 456.296 5.593 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 ZINC000027792918 556307223 /nfs/dbraw/zinc/30/72/23/556307223.db2.gz IAUFLUXCGDJLPY-HNNXBMFYSA-N -1 3 474.538 5.823 50 0 JKAAHM COc1ccc(-c2nsc([N-]C(=O)c3oc4ccc(Br)cc4c3C)n2)cc1OC ZINC000027794532 556307917 /nfs/dbraw/zinc/30/79/17/556307917.db2.gz PWIHXNAMPYEBAQ-UHFFFAOYSA-N -1 3 474.336 5.292 50 0 JKAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N(c2ccccc2)[C@]1(O)C(F)(F)F ZINC000013109394 556308170 /nfs/dbraw/zinc/30/81/70/556308170.db2.gz HGLCUJPNKOOZOT-MIZPHKNDSA-N -1 3 490.934 5.526 50 0 JKAAHM CCCC[C@@H](CC)c1nnc([N-]C(=O)c2ccc(Cn3cc(Br)cn3)o2)s1 ZINC000028227254 556326041 /nfs/dbraw/zinc/32/60/41/556326041.db2.gz MDMUSVLDQRPPKH-GFCCVEGCSA-N -1 3 452.378 5.075 50 0 JKAAHM COC(=O)c1sc2[n-]c(CSc3ncnc4cc(-c5ccc(F)cc5)sc43)nc(=O)c2c1C ZINC000013120424 556332893 /nfs/dbraw/zinc/33/28/93/556332893.db2.gz RPHKSNAFWFZNLF-UHFFFAOYSA-N -1 3 498.586 5.183 50 0 JKAAHM Cc1c2cc(Br)ccc2oc1C(=O)[N-]c1nc(-c2ccc(Br)o2)ns1 ZINC000028405110 556332999 /nfs/dbraw/zinc/33/29/99/556332999.db2.gz VJISUOBVPMZORB-UHFFFAOYSA-N -1 3 483.141 5.630 50 0 JKAAHM CCOc1cc(C(=O)CCC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)ccc1[O-] ZINC000013121024 556335588 /nfs/dbraw/zinc/33/55/88/556335588.db2.gz HYTGWBGPIDSWMP-UHFFFAOYSA-N -1 3 452.503 5.035 50 0 JKAAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 ZINC000013127344 556343153 /nfs/dbraw/zinc/34/31/53/556343153.db2.gz IYQCXUQBJZSNKQ-MSOLQXFVSA-N -1 3 454.317 5.577 50 0 JKAAHM CC1(C)C[C@]2(CCCN(Cc3nc4c(c(=O)[n-]3)C3(CCCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000019782240 556369502 /nfs/dbraw/zinc/36/95/02/556369502.db2.gz DJNATJHMUNFNFS-NDEPHWFRSA-N -1 3 461.650 5.366 50 0 biogenic JKAAHM COc1ccc(Cl)c2c(=O)c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)[n-]c12 ZINC000019793517 556373051 /nfs/dbraw/zinc/37/30/51/556373051.db2.gz WPKSLSMUDLRGQG-UHFFFAOYSA-N -1 3 488.031 5.406 50 0 JKAAHM COc1ccc(-c2noc(-c3sc([N-]C(=O)c4cc(-c5ccc(F)c(F)c5)on4)nc3C)n2)cc1 ZINC000031812876 556406781 /nfs/dbraw/zinc/40/67/81/556406781.db2.gz VRSSUJGUWJHVPD-UHFFFAOYSA-N -1 3 495.467 5.363 50 0 JKAAHM CCOc1ccccc1NC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000032854119 556511571 /nfs/dbraw/zinc/51/15/71/556511571.db2.gz GYWJCTDETZQFHH-ZDUSSCGKSA-N -1 3 455.561 5.076 50 0 JKAAHM Cc1ccc(C)c(NC(=O)[C@@H](C)S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1 ZINC000032854122 556511583 /nfs/dbraw/zinc/51/15/83/556511583.db2.gz ZSWMFEYDJMGWQA-LSDHHAIUSA-N -1 3 453.589 5.683 50 0 JKAAHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2n1C(F)F ZINC000032863482 556515238 /nfs/dbraw/zinc/51/52/38/556515238.db2.gz PITMALCSUGLRJR-JTQLQIEISA-N -1 3 467.847 5.186 50 0 JKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000008586535 562941002 /nfs/dbraw/zinc/94/10/02/562941002.db2.gz HQOBFSDJDKBHLE-UHFFFAOYSA-N -1 3 462.527 5.816 50 0 JKAAHM COc1ccc(CNCc2c3ccc(C)cc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1OC ZINC000008588935 562941769 /nfs/dbraw/zinc/94/17/69/562941769.db2.gz VSVRXHWAPZIIRZ-UHFFFAOYSA-N -1 3 462.521 5.142 50 0 JKAAHM CCOc1ccc(CNCc2c3ccc(OC)cc3n(Cc3ccccc3C)c2C(=O)[O-])cc1OC ZINC000008589016 562941824 /nfs/dbraw/zinc/94/18/24/562941824.db2.gz HUFOSMMCTICAAQ-UHFFFAOYSA-N -1 3 488.584 5.402 50 0 JKAAHM COc1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000008692747 562954416 /nfs/dbraw/zinc/95/44/16/562954416.db2.gz BWHIYSHELXNBAM-UHFFFAOYSA-N -1 3 481.961 5.258 50 0 JKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2cccc(O)c2)cs1 ZINC000008711420 569596038 /nfs/dbraw/zinc/59/60/38/569596038.db2.gz ULVYNMRUFPEWOM-QFIPXVFZSA-N -1 3 455.461 5.534 50 0 JKAAHM Cc1ccc(-c2csc(N3N=C(c4ccc5ccccc5c4)C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711405 569596046 /nfs/dbraw/zinc/59/60/46/569596046.db2.gz OSUXGWDEFOSLMN-HSZRJFAPSA-N -1 3 453.489 6.137 50 0 JKAAHM COc1ccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)[C@]([O-])(C(F)(F)F)C2)cc1 ZINC000008711496 569596094 /nfs/dbraw/zinc/59/60/94/569596094.db2.gz PZHIGHKEROITJO-LJQANCHMSA-N -1 3 498.324 5.447 50 0 JKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2cccc(O)c2)cs1 ZINC000008711414 569596098 /nfs/dbraw/zinc/59/60/98/569596098.db2.gz ULVYNMRUFPEWOM-JOCHJYFZSA-N -1 3 455.461 5.534 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008715774 569596380 /nfs/dbraw/zinc/59/63/80/569596380.db2.gz RBYPVJKMSKXKPK-AREMUKBSSA-N -1 3 451.526 5.620 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008715774 569596381 /nfs/dbraw/zinc/59/63/81/569596381.db2.gz RBYPVJKMSKXKPK-AREMUKBSSA-N -1 3 451.526 5.620 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008715777 569596423 /nfs/dbraw/zinc/59/64/23/569596423.db2.gz YOIGMEQPAQBRNQ-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008715777 569596425 /nfs/dbraw/zinc/59/64/25/569596425.db2.gz YOIGMEQPAQBRNQ-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000008715783 569596536 /nfs/dbraw/zinc/59/65/36/569596536.db2.gz IJTPSVDXEFKUKB-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000008715783 569596537 /nfs/dbraw/zinc/59/65/37/569596537.db2.gz IJTPSVDXEFKUKB-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5cc(C)ccc5C)cc4)cn3)n2)c1 ZINC000032974780 569605822 /nfs/dbraw/zinc/60/58/22/569605822.db2.gz VCBDSWPQVRRGNW-UHFFFAOYSA-N -1 3 499.596 5.374 50 0 JKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(C)cc5)no4)c3)cc2)cc1 ZINC000032974760 569605825 /nfs/dbraw/zinc/60/58/25/569605825.db2.gz LPWNJKWPPRXOQB-UHFFFAOYSA-N -1 3 499.596 5.320 50 0 JKAAHM COc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)c1 ZINC000064471540 569617806 /nfs/dbraw/zinc/61/78/06/569617806.db2.gz YXAHHSDVEFWSPD-UHFFFAOYSA-N -1 3 475.574 5.390 50 0 JKAAHM COc1cc(/C=C2\c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000033039500 569621603 /nfs/dbraw/zinc/62/16/03/569621603.db2.gz ZVYRCHHCMYGOJC-YBFXNURJSA-N -1 3 464.315 5.199 50 0 JKAAHM CCCSc1nnc([N-]C(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)s1 ZINC000033670351 569630484 /nfs/dbraw/zinc/63/04/84/569630484.db2.gz GOJKJLFYDBLZSW-UHFFFAOYSA-N -1 3 457.606 5.160 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)cc1C ZINC000064801994 569631496 /nfs/dbraw/zinc/63/14/96/569631496.db2.gz JKRQPLBXUYHUJO-UHFFFAOYSA-N -1 3 489.601 5.698 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCC2)n1 ZINC000064801821 569631542 /nfs/dbraw/zinc/63/15/42/569631542.db2.gz POZQCCPGRJUKKA-UHFFFAOYSA-N -1 3 459.575 5.083 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)cc1 ZINC000064802022 569631767 /nfs/dbraw/zinc/63/17/67/569631767.db2.gz XUUCVAZYYDLIMR-UHFFFAOYSA-N -1 3 467.595 5.083 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc(N2CCCCC2)n1 ZINC000064802128 569631784 /nfs/dbraw/zinc/63/17/84/569631784.db2.gz YKXVECUTLIDUQI-UHFFFAOYSA-N -1 3 465.623 5.245 50 0 JKAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)cc1C ZINC000064802191 569631870 /nfs/dbraw/zinc/63/18/70/569631870.db2.gz FDPMUWMNPUBJML-UHFFFAOYSA-N -1 3 495.649 5.699 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)cc1 ZINC000064802015 569631919 /nfs/dbraw/zinc/63/19/19/569631919.db2.gz NQSHBYNTJQSOLA-UHFFFAOYSA-N -1 3 451.596 5.382 50 0 JKAAHM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4cc(F)ccc4C)cc3)n2)cc1 ZINC000064814511 569632122 /nfs/dbraw/zinc/63/21/22/569632122.db2.gz YJVGVUCIJMXKAH-UHFFFAOYSA-N -1 3 477.565 5.829 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000033779081 569634536 /nfs/dbraw/zinc/63/45/36/569634536.db2.gz MHLNKFGUIRISRN-UBFVSLLYSA-N -1 3 472.903 5.683 50 0 JKAAHM O=C(NC1CCCC1)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)nc1 ZINC000065063482 569656706 /nfs/dbraw/zinc/65/67/06/569656706.db2.gz HYZRJNUSAUAWNH-UHFFFAOYSA-N -1 3 491.613 5.226 50 0 JKAAHM CCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000065074615 569657137 /nfs/dbraw/zinc/65/71/37/569657137.db2.gz BOLVDLQCYQGPIV-UHFFFAOYSA-N -1 3 479.602 5.083 50 0 JKAAHM Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000034772188 569659146 /nfs/dbraw/zinc/65/91/46/569659146.db2.gz RQOTWMPLMGULHX-UHFFFAOYSA-N -1 3 466.893 5.303 50 0 JKAAHM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000034921843 569672657 /nfs/dbraw/zinc/67/26/57/569672657.db2.gz DNMUNJHFIFHULT-UHFFFAOYSA-N -1 3 495.626 5.051 50 0 JKAAHM Cc1cccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N2CCCCC2)c1 ZINC000035088512 569674737 /nfs/dbraw/zinc/67/47/37/569674737.db2.gz JFDFZOKODOZHGZ-UHFFFAOYSA-N -1 3 484.021 5.692 50 0 JKAAHM O=C([O-])c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1NC(=O)C1CCC1 ZINC000035422781 569692788 /nfs/dbraw/zinc/69/27/88/569692788.db2.gz VZSQSPUBEOBMNH-UHFFFAOYSA-N -1 3 469.585 5.035 50 0 JKAAHM CC(C)(C)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000035422760 569692829 /nfs/dbraw/zinc/69/28/29/569692829.db2.gz VRLNLTKYLMLMOH-UHFFFAOYSA-N -1 3 471.601 5.281 50 0 JKAAHM O=c1[n-]c(SCc2nc(-c3ccccc3Br)no2)nc2c(-c3ccccc3)c[nH]c21 ZINC000072332561 569702998 /nfs/dbraw/zinc/70/29/98/569702998.db2.gz CVJOFRWIVLUSQR-UHFFFAOYSA-N -1 3 480.347 5.023 50 0 JKAAHM COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000035615903 569705595 /nfs/dbraw/zinc/70/55/95/569705595.db2.gz UNFQZJIHOCMJNL-UHFFFAOYSA-N -1 3 454.324 5.539 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc2ncccc2c1)CC(=O)O3 ZINC000079190067 569707136 /nfs/dbraw/zinc/70/71/36/569707136.db2.gz ANCJBVFGWXAAGZ-CJRAMENUSA-N -1 3 499.563 5.863 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccsc1)CC(=O)O3 ZINC000079191640 569707184 /nfs/dbraw/zinc/70/71/84/569707184.db2.gz XRHQUVWGGSCSKX-QQZAIKGPSA-N -1 3 454.544 5.377 50 0 JKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1O ZINC000079192364 569707317 /nfs/dbraw/zinc/70/73/17/569707317.db2.gz VCMBEXOPWDHANP-HEOSOXGZSA-N -1 3 494.540 5.029 50 0 JKAAHM CC(C)COc1nc(-c2ccccc2F)n(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000035794516 569711165 /nfs/dbraw/zinc/71/11/65/569711165.db2.gz BNFMJLLHYXHPRA-UHFFFAOYSA-N -1 3 484.528 5.048 50 0 JKAAHM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccc5ccccc53)CC(=O)O4)c2=O)cc1 ZINC000085877988 569716053 /nfs/dbraw/zinc/71/60/53/569716053.db2.gz LMBALRLGSQCFTD-OAQYLSRUSA-N -1 3 464.473 5.768 50 0 biogenic JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)c(C)c1 ZINC000035910260 569725548 /nfs/dbraw/zinc/72/55/48/569725548.db2.gz JSHWTJRYTAEARO-DEOSSOPVSA-N -1 3 470.591 5.330 50 0 JKAAHM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)c(C)c1 ZINC000035912488 569727487 /nfs/dbraw/zinc/72/74/87/569727487.db2.gz DNXJSDLMDWLGDN-AREMUKBSSA-N -1 3 480.655 5.808 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1 ZINC000035927665 569730699 /nfs/dbraw/zinc/73/06/99/569730699.db2.gz ZOVUPWKCCQZGJR-RUZDIDTESA-N -1 3 466.628 5.698 50 0 JKAAHM CCCSc1ccccc1N1CCN(CCCCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000096027690 569732171 /nfs/dbraw/zinc/73/21/71/569732171.db2.gz ZGQOQEZWZCOLBI-UHFFFAOYSA-N -1 3 468.692 5.164 50 0 JKAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3n(CC(C)C)c2=O)S1 ZINC000096117120 569735612 /nfs/dbraw/zinc/73/56/12/569735612.db2.gz WOULCWZTVNBZRU-PGRDOPGGSA-N -1 3 480.634 5.164 50 0 JKAAHM COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096118169 569735959 /nfs/dbraw/zinc/73/59/59/569735959.db2.gz SEXWTSNMPINUOU-QGZVFWFLSA-N -1 3 482.435 5.168 50 0 JKAAHM CC(C)COc1nc(-c2cccc(F)c2)n(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000096203390 569737264 /nfs/dbraw/zinc/73/72/64/569737264.db2.gz HBWACLTZCVOERO-UHFFFAOYSA-N -1 3 484.528 5.048 50 0 JKAAHM O=c1c2ccccc2nc(/C=C\c2cc(Br)ccc2[O-])n1-c1ccccc1Cl ZINC000096556975 569740944 /nfs/dbraw/zinc/74/09/44/569740944.db2.gz HPDQBFFNXFONIS-XFXZXTDPSA-N -1 3 453.723 5.678 50 0 JKAAHM O=C([O-])c1cc(NCCCCN2CCN(c3ccc(F)cc3)CC2)c2c(Cl)ccc(Cl)c2n1 ZINC000096602432 569742609 /nfs/dbraw/zinc/74/26/09/569742609.db2.gz KQTMHDZCCGOIGR-UHFFFAOYSA-N -1 3 491.394 5.393 50 0 JKAAHM CCOc1cc(/C=C2/C(=O)Nc3c2cc(Br)cc3Br)cc(Cl)c1[O-] ZINC000096836011 569743353 /nfs/dbraw/zinc/74/33/53/569743353.db2.gz ASPNRMSBYORGRJ-QDEBKDIKSA-N -1 3 473.548 5.462 50 0 JKAAHM CC(=O)Nc1ccccc1Sc1ccc2c3c1cccc3C(=O)N(c1ccc([O-])cc1)C2=O ZINC000098087112 569750664 /nfs/dbraw/zinc/75/06/64/569750664.db2.gz BVNDGYRBJSPAEJ-UHFFFAOYSA-N -1 3 454.507 5.456 50 0 JKAAHM O=C(N[C@H](C(C(=O)c1ccccc1)=C([O-])c1ccccc1)c1ccccc1)OCCc1ccccc1 ZINC000100079778 569752589 /nfs/dbraw/zinc/75/25/89/569752589.db2.gz CRBVARJCQHMYHF-NDEPHWFRSA-N -1 3 477.560 6.079 50 0 JKAAHM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101037957 569780305 /nfs/dbraw/zinc/78/03/05/569780305.db2.gz XQOMMHZCPXMMNP-ZRBLBEILSA-N -1 3 499.350 5.062 50 0 JKAAHM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101041240 569780401 /nfs/dbraw/zinc/78/04/01/569780401.db2.gz VQZSFLRIFPUOGK-XJUOHMSHSA-N -1 3 467.352 5.607 50 0 JKAAHM CCc1cc2c(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)cc(=O)oc2cc1[O-] ZINC000036819042 569780855 /nfs/dbraw/zinc/78/08/55/569780855.db2.gz FXCLUWVBMHDEQE-UHFFFAOYSA-N -1 3 470.554 5.055 50 0 JKAAHM CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101130007 569784029 /nfs/dbraw/zinc/78/40/29/569784029.db2.gz HAJUGEUHVOQGPR-VSKRKVRLSA-N -1 3 484.499 5.478 50 0 JKAAHM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101155097 569784942 /nfs/dbraw/zinc/78/49/42/569784942.db2.gz KSVSTAIYMSQLPT-VXNXHJTFSA-N -1 3 495.406 6.342 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(OCC(C)C)nc3-c3cccc(F)c3)cc2)cc1 ZINC000037384934 569785931 /nfs/dbraw/zinc/78/59/31/569785931.db2.gz WLNGWBXRYXHQPD-UHFFFAOYSA-N -1 3 480.565 5.217 50 0 JKAAHM O=C([N-]c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2)c1ccco1 ZINC000101836868 569806010 /nfs/dbraw/zinc/80/60/10/569806010.db2.gz RVSGOBNTJJFLSP-SFHVURJKSA-N -1 3 452.301 5.486 50 0 JKAAHM COc1ccc(NC(=O)[C@H](C)S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000040007519 569813680 /nfs/dbraw/zinc/81/36/80/569813680.db2.gz JJOXBAZFVDUBHK-CABCVRRESA-N -1 3 465.600 5.482 50 0 JKAAHM COc1ccc(NC(=O)[C@@H](C)S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000040007524 569813713 /nfs/dbraw/zinc/81/37/13/569813713.db2.gz JJOXBAZFVDUBHK-HUUCEWRRSA-N -1 3 465.600 5.482 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1C ZINC000102700126 569816192 /nfs/dbraw/zinc/81/61/92/569816192.db2.gz VKVKBVQYPQPHFH-XPWALMASSA-N -1 3 477.358 5.117 50 0 JKAAHM Cc1ccc(Cl)cc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000102715406 569817068 /nfs/dbraw/zinc/81/70/68/569817068.db2.gz YFEBEVINXQOVED-YPAWHYETSA-N -1 3 497.776 5.462 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000102724717 569817560 /nfs/dbraw/zinc/81/75/60/569817560.db2.gz CYFFLCICLQOQOT-CCDWMCETSA-N -1 3 454.913 5.544 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102725761 569817700 /nfs/dbraw/zinc/81/77/00/569817700.db2.gz DRCQQQVMZQACSR-BHIFYINESA-N -1 3 453.325 5.353 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)cc1 ZINC000102727349 569817728 /nfs/dbraw/zinc/81/77/28/569817728.db2.gz ODJHQDUYRVGTKL-KMDXXIMOSA-N -1 3 462.933 5.180 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000102727530 569817924 /nfs/dbraw/zinc/81/79/24/569817924.db2.gz IEDYHFDKIHVILF-UODIDJSMSA-N -1 3 456.542 5.307 50 0 JKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102728029 569817931 /nfs/dbraw/zinc/81/79/31/569817931.db2.gz UQKHXXIFTXJVDW-BHDDXSALSA-N -1 3 453.325 5.353 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102735141 569818681 /nfs/dbraw/zinc/81/86/81/569818681.db2.gz UWLGEGGSZYIQSL-PCCBWWKXSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000102737120 569818950 /nfs/dbraw/zinc/81/89/50/569818950.db2.gz TYYYZVFMEZMZRG-PWRODBHTSA-N -1 3 457.288 5.184 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000102737124 569818967 /nfs/dbraw/zinc/81/89/67/569818967.db2.gz TYYYZVFMEZMZRG-PCCBWWKXSA-N -1 3 457.288 5.184 50 0 JKAAHM CCOc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000040155083 569820577 /nfs/dbraw/zinc/82/05/77/569820577.db2.gz JHLAHKPMJYBGGB-UHFFFAOYSA-N -1 3 452.576 5.074 50 0 JKAAHM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102750250 569820945 /nfs/dbraw/zinc/82/09/45/569820945.db2.gz TUOGVVHZFULDKU-JJCGOBCMSA-N -1 3 471.395 5.344 50 0 JKAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102752488 569821028 /nfs/dbraw/zinc/82/10/28/569821028.db2.gz ILMPGOMHZRFJFW-RJGXRXQPSA-N -1 3 483.351 5.443 50 0 JKAAHM CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102759396 569821581 /nfs/dbraw/zinc/82/15/81/569821581.db2.gz BTIOOIGGHNJAGI-YPAWHYETSA-N -1 3 450.947 5.113 50 0 JKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000102761271 569822118 /nfs/dbraw/zinc/82/21/18/569822118.db2.gz CPVCJMVMLUVMEX-XPWALMASSA-N -1 3 498.457 5.035 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000102763372 569822469 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FHFJVLRVCLDPKH-DEOSSOPVSA-N -1 3 492.348 6.127 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2F)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404624 194115602 /nfs/dbraw/zinc/11/56/02/194115602.db2.gz FHFJVLRVCLDPKH-DEOSSOPVSA-N -1 3 492.348 6.127 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000001422286 194118158 /nfs/dbraw/zinc/11/81/58/194118158.db2.gz ZCBHPHLIXLWPRG-RUZDIDTESA-N -1 3 471.488 5.151 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000001422286 194118161 /nfs/dbraw/zinc/11/81/61/194118161.db2.gz ZCBHPHLIXLWPRG-RUZDIDTESA-N -1 3 471.488 5.151 50 0 JKAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)NCCc1ccccc1Cl ZINC000002949194 194177156 /nfs/dbraw/zinc/17/71/56/194177156.db2.gz BCTZHEUJSVPBCT-UHFFFAOYSA-N -1 3 455.996 5.047 50 0 JKAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)NCCc1ccc(Cl)cc1 ZINC000002949196 194177163 /nfs/dbraw/zinc/17/71/63/194177163.db2.gz XRBZTQNZUHTZQC-UHFFFAOYSA-N -1 3 455.996 5.047 50 0 JKAAHM 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5.806 50 0 JKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000009679147 555404167 /nfs/dbraw/zinc/40/41/67/555404167.db2.gz GRPDJQUVWBFAJN-VWLOTQADSA-N -1 3 459.933 5.806 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679173 555404236 /nfs/dbraw/zinc/40/42/36/555404236.db2.gz PNHJOPAQOKHXNV-HSZRJFAPSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679173 555404237 /nfs/dbraw/zinc/40/42/37/555404237.db2.gz PNHJOPAQOKHXNV-HSZRJFAPSA-N -1 3 462.322 6.037 50 0 JKAAHM COc1cccc([C@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000009679170 555404362 /nfs/dbraw/zinc/40/43/62/555404362.db2.gz PSVOCUQRIGPZJP-DEOSSOPVSA-N -1 3 474.358 5.906 50 0 JKAAHM COc1cccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000009679170 555404366 /nfs/dbraw/zinc/40/43/66/555404366.db2.gz PSVOCUQRIGPZJP-DEOSSOPVSA-N -1 3 474.358 5.906 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2OC)cc1 ZINC000009679212 555404787 /nfs/dbraw/zinc/40/47/87/555404787.db2.gz GTXKXZCVODMRCV-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2OC)cc1 ZINC000009679212 555404790 /nfs/dbraw/zinc/40/47/90/555404790.db2.gz GTXKXZCVODMRCV-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679220 555404825 /nfs/dbraw/zinc/40/48/25/555404825.db2.gz YGPSFQCSZQIZCJ-XMMPIXPASA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679220 555404826 /nfs/dbraw/zinc/40/48/26/555404826.db2.gz YGPSFQCSZQIZCJ-XMMPIXPASA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009679211 555404855 /nfs/dbraw/zinc/40/48/55/555404855.db2.gz SXTOMCHCJYHJRO-VWLOTQADSA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009679211 555404857 /nfs/dbraw/zinc/40/48/57/555404857.db2.gz SXTOMCHCJYHJRO-VWLOTQADSA-N -1 3 453.498 5.012 50 0 JKAAHM CCOc1ccc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679194 555404934 /nfs/dbraw/zinc/40/49/34/555404934.db2.gz FYTKGPLKTOHMKQ-VWLOTQADSA-N -1 3 488.385 6.296 50 0 JKAAHM CCOc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679194 555404937 /nfs/dbraw/zinc/40/49/37/555404937.db2.gz FYTKGPLKTOHMKQ-VWLOTQADSA-N -1 3 488.385 6.296 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679284 555405268 /nfs/dbraw/zinc/40/52/68/555405268.db2.gz ZBNDBVRXCUNUBP-HHHXNRCGSA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679284 555405269 /nfs/dbraw/zinc/40/52/69/555405269.db2.gz ZBNDBVRXCUNUBP-HHHXNRCGSA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679246 555405293 /nfs/dbraw/zinc/40/52/93/555405293.db2.gz UUQSWEDEJNSJLX-AREMUKBSSA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679246 555405295 /nfs/dbraw/zinc/40/52/95/555405295.db2.gz UUQSWEDEJNSJLX-AREMUKBSSA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679247 555405368 /nfs/dbraw/zinc/40/53/68/555405368.db2.gz UUQSWEDEJNSJLX-SANMLTNESA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679247 555405371 /nfs/dbraw/zinc/40/53/71/555405371.db2.gz UUQSWEDEJNSJLX-SANMLTNESA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000009679266 555405449 /nfs/dbraw/zinc/40/54/49/555405449.db2.gz INUUPUJMQAYOSQ-HHHXNRCGSA-N -1 3 465.553 5.874 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000009679266 555405451 /nfs/dbraw/zinc/40/54/51/555405451.db2.gz INUUPUJMQAYOSQ-HHHXNRCGSA-N -1 3 465.553 5.874 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009679319 555405790 /nfs/dbraw/zinc/40/57/90/555405790.db2.gz DCXYXJUIXWZRGF-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009679319 555405791 /nfs/dbraw/zinc/40/57/91/555405791.db2.gz DCXYXJUIXWZRGF-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000009679339 555405872 /nfs/dbraw/zinc/40/58/72/555405872.db2.gz AFCCUDULSMXHLV-HHHXNRCGSA-N -1 3 481.552 5.574 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000009679339 555405874 /nfs/dbraw/zinc/40/58/74/555405874.db2.gz AFCCUDULSMXHLV-HHHXNRCGSA-N -1 3 481.552 5.574 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009679402 555406226 /nfs/dbraw/zinc/40/62/26/555406226.db2.gz IJIYQTBNUYBRDX-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009679402 555406229 /nfs/dbraw/zinc/40/62/29/555406229.db2.gz IJIYQTBNUYBRDX-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009679422 555406305 /nfs/dbraw/zinc/40/63/05/555406305.db2.gz RVOYICRSUSJEDQ-NDEPHWFRSA-N -1 3 495.579 5.964 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009679422 555406309 /nfs/dbraw/zinc/40/63/09/555406309.db2.gz RVOYICRSUSJEDQ-NDEPHWFRSA-N -1 3 495.579 5.964 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000009679396 555406491 /nfs/dbraw/zinc/40/64/91/555406491.db2.gz ICYFZEVGWSNZGY-HHHXNRCGSA-N -1 3 481.552 5.710 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000009679396 555406494 /nfs/dbraw/zinc/40/64/94/555406494.db2.gz ICYFZEVGWSNZGY-HHHXNRCGSA-N -1 3 481.552 5.710 50 0 JKAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013496859 555412570 /nfs/dbraw/zinc/41/25/70/555412570.db2.gz XDYBPMMBQCHQNA-UHFFFAOYSA-N -1 3 497.049 5.037 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3nc(C)nc4sc5c(c43)CCC5)cc2)cc1 ZINC000009597208 555413643 /nfs/dbraw/zinc/41/36/43/555413643.db2.gz VHSAPARAQUFNJA-UHFFFAOYSA-N -1 3 467.572 5.090 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000009597940 555415371 /nfs/dbraw/zinc/41/53/71/555415371.db2.gz VRCOVGMAPJYIRA-INIZCTEOSA-N -1 3 452.576 5.983 50 0 JKAAHM CCCCSc1nnc2c(n1)OC(=C([O-])c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000009601849 555427060 /nfs/dbraw/zinc/42/70/60/555427060.db2.gz PHEABIRXFRAIAF-HXUWFJFHSA-N -1 3 471.380 5.207 50 0 JKAAHM Cc1c(CNCc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000009747277 555479292 /nfs/dbraw/zinc/47/92/92/555479292.db2.gz LWQVTDYAOUPNHJ-UHFFFAOYSA-N -1 3 461.787 5.557 50 0 JKAAHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009816400 555521972 /nfs/dbraw/zinc/52/19/72/555521972.db2.gz XEPMUXFQEJANMA-SFHVURJKSA-N -1 3 495.601 5.256 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013596732 555529062 /nfs/dbraw/zinc/52/90/62/555529062.db2.gz DFOOCTZQRWWJOD-DSNGMDLFSA-N -1 3 454.913 5.544 50 0 JKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013642934 555548138 /nfs/dbraw/zinc/54/81/38/555548138.db2.gz UGWSTWHZTITAFV-KRWDZBQOSA-N -1 3 458.387 5.089 50 0 JKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000013643023 555548423 /nfs/dbraw/zinc/54/84/23/555548423.db2.gz FAVJBVLRXWOBBF-NRFANRHFSA-N -1 3 492.379 5.774 50 0 JKAAHM Cc1ccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@]([O-])(C(F)(F)F)C2)cc1C ZINC000013643017 555548515 /nfs/dbraw/zinc/54/85/15/555548515.db2.gz LGQOFBJYRKQKIT-LJQANCHMSA-N -1 3 486.441 5.706 50 0 JKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013643076 555548525 /nfs/dbraw/zinc/54/85/25/555548525.db2.gz YYYCAKXDRYEVSG-QGZVFWFLSA-N -1 3 492.832 5.743 50 0 JKAAHM COc1ccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@]([O-])(C(F)(F)F)C2)cc1 ZINC000013643084 555548720 /nfs/dbraw/zinc/54/87/20/555548720.db2.gz COCMYVNUOJBDGT-GOSISDBHSA-N -1 3 488.413 5.098 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000013647943 555552413 /nfs/dbraw/zinc/55/24/13/555552413.db2.gz IWVMXDZNASXNLL-DSNGMDLFSA-N -1 3 489.358 6.198 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000013658910 555555596 /nfs/dbraw/zinc/55/55/96/555555596.db2.gz MHLNKFGUIRISRN-DSNGMDLFSA-N -1 3 472.903 5.683 50 0 JKAAHM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009996129 555589570 /nfs/dbraw/zinc/58/95/70/555589570.db2.gz PJDNUSQTGDDMOE-UHFFFAOYSA-N -1 3 493.564 5.082 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000013749128 555608158 /nfs/dbraw/zinc/60/81/58/555608158.db2.gz VFFXYHZJXFSTJB-SFHLNBCPSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013751383 555609522 /nfs/dbraw/zinc/60/95/22/555609522.db2.gz CYFFLCICLQOQOT-DSNGMDLFSA-N -1 3 454.913 5.544 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000013757387 555611267 /nfs/dbraw/zinc/61/12/67/555611267.db2.gz ALJAPPMJNKOOQK-DSNGMDLFSA-N -1 3 454.913 5.544 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013758128 555611574 /nfs/dbraw/zinc/61/15/74/555611574.db2.gz XIFURGHXVMAHFD-QHAWAJNXSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013759576 555612566 /nfs/dbraw/zinc/61/25/66/555612566.db2.gz VPUQDMIIANHJIA-QHAWAJNXSA-N -1 3 483.749 5.154 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000013786705 555619477 /nfs/dbraw/zinc/61/94/77/555619477.db2.gz LQZRBGXDTNKSHL-XPWALMASSA-N -1 3 490.346 5.593 50 0 JKAAHM Cc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000013828377 555629935 /nfs/dbraw/zinc/62/99/35/555629935.db2.gz PHRHXXKHMHBXAO-UHFFFAOYSA-N -1 3 490.313 6.179 50 0 JKAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c([O-])c12 ZINC000010166783 555639497 /nfs/dbraw/zinc/63/94/97/555639497.db2.gz JPECBQATAFVQSC-UHFFFAOYSA-N -1 3 480.368 5.312 50 0 JKAAHM [O-]c1ccccc1-c1nc2ccccc2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020110122 555645969 /nfs/dbraw/zinc/64/59/69/555645969.db2.gz CEJPLORHALXXMN-UHFFFAOYSA-N -1 3 472.592 5.914 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 ZINC000013936321 555648876 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COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033326891 569624051 /nfs/dbraw/zinc/62/40/51/569624051.db2.gz APMSNDRYEUSKJX-UHFFFAOYSA-N -1 3 467.595 5.083 50 0 JKAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1 ZINC000033326886 569624086 /nfs/dbraw/zinc/62/40/86/569624086.db2.gz VRLROUQGGWJWPZ-UHFFFAOYSA-N -1 3 451.596 5.382 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1C ZINC000033326889 569624132 /nfs/dbraw/zinc/62/41/32/569624132.db2.gz XWLQNHAPGQLIBO-UHFFFAOYSA-N -1 3 465.623 5.691 50 0 JKAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1 ZINC000033326875 569624139 /nfs/dbraw/zinc/62/41/39/569624139.db2.gz RABVLQNJVPOYRO-UHFFFAOYSA-N -1 3 479.528 5.194 50 0 JKAAHM CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Br)c1[O-] ZINC000033349533 569625038 /nfs/dbraw/zinc/62/50/38/569625038.db2.gz NOMVNYHMKRHWQT-PXNMLYILSA-N -1 3 486.746 5.582 50 0 JKAAHM Cn1c(CSc2nc3sc4c(c3c(=O)[n-]2)CCCC4)nnc1SC/C=C\c1ccccc1 ZINC000033430022 569626260 /nfs/dbraw/zinc/62/62/60/569626260.db2.gz JDUUSZLOCZEBTG-YFHOEESVSA-N -1 3 481.672 5.090 50 0 JKAAHM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3)n2)cc1 ZINC000064801988 569631663 /nfs/dbraw/zinc/63/16/63/569631663.db2.gz UAVVVYAUCAMJGX-UHFFFAOYSA-N -1 3 459.575 5.690 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCCC2)n1 ZINC000064801854 569631666 /nfs/dbraw/zinc/63/16/66/569631666.db2.gz MPHRHHYJWSQMNT-UHFFFAOYSA-N -1 3 465.623 5.227 50 0 JKAAHM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1 ZINC000064801990 569631679 /nfs/dbraw/zinc/63/16/79/569631679.db2.gz FCGYJTKLECIXAL-UHFFFAOYSA-N -1 3 459.575 5.690 50 0 JKAAHM CCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)nc1 ZINC000065063489 569656650 /nfs/dbraw/zinc/65/66/50/569656650.db2.gz QNHFEXOMIRYAFI-UHFFFAOYSA-N -1 3 479.602 5.083 50 0 JKAAHM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)nc1 ZINC000065063534 569656837 /nfs/dbraw/zinc/65/68/37/569656837.db2.gz GGZVQKCVOLBGBY-UHFFFAOYSA-N -1 3 495.645 5.793 50 0 JKAAHM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)nc1 ZINC000065063496 569656852 /nfs/dbraw/zinc/65/68/52/569656852.db2.gz VWUZTBUKIGGGRI-UHFFFAOYSA-N -1 3 467.591 5.212 50 0 JKAAHM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1 ZINC000065063575 569657011 /nfs/dbraw/zinc/65/70/11/569657011.db2.gz WSURAHBBICFZFD-UHFFFAOYSA-N -1 3 495.645 5.892 50 0 JKAAHM O=C(NC1CC1)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000065074565 569657151 /nfs/dbraw/zinc/65/71/51/569657151.db2.gz WSZQYMMNZOUBCG-UHFFFAOYSA-N -1 3 491.613 5.615 50 0 JKAAHM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4C)cc3)nc3ccccc3n12 ZINC000065096444 569660878 /nfs/dbraw/zinc/66/08/78/569660878.db2.gz GSKSXACKMCQQPS-UHFFFAOYSA-N -1 3 479.949 5.141 50 0 JKAAHM C[C@H](c1ccccc1)N(Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000034921850 569672572 /nfs/dbraw/zinc/67/25/72/569672572.db2.gz GDGNTOLNWMGPOQ-OAQYLSRUSA-N -1 3 493.673 5.689 50 0 JKAAHM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)[N-][C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000035047579 569673991 /nfs/dbraw/zinc/67/39/91/569673991.db2.gz VXKWFFYOIFTXMQ-IUPBHXKESA-N -1 3 498.587 6.521 50 0 JKAAHM CC1(C)[C@H](C(=O)[N-][C@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000035047583 569674053 /nfs/dbraw/zinc/67/40/53/569674053.db2.gz VXKWFFYOIFTXMQ-LQJRIPTKSA-N -1 3 498.587 6.521 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000035174716 569677388 /nfs/dbraw/zinc/67/73/88/569677388.db2.gz COTZMDSNSBKJSY-UBFVSLLYSA-N -1 3 489.358 6.198 50 0 JKAAHM CC(C)CC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000035422741 569692805 /nfs/dbraw/zinc/69/28/05/569692805.db2.gz BOODVRAIDDJGFL-UHFFFAOYSA-N -1 3 471.601 5.281 50 0 JKAAHM COc1ccc(-c2cc(-c3cc(Br)ccc3[O-])n([C@H]3C(=O)Nc4ccccc43)n2)cc1 ZINC000072332572 569702926 /nfs/dbraw/zinc/70/29/26/569702926.db2.gz MOFYLRSMPBMVEZ-HSZRJFAPSA-N -1 3 476.330 5.235 50 0 JKAAHM COc1ccc(/C=C(\C)c2nc(-c3ccccc3[O-])n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000072370097 569703643 /nfs/dbraw/zinc/70/36/43/569703643.db2.gz ORHJGYRZZSNTMG-FBMGVBCBSA-N -1 3 466.566 6.333 50 0 JKAAHM Cc1sc([N-]C(=O)c2cc(-c3ccccc3)on2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671564 569706245 /nfs/dbraw/zinc/70/62/45/569706245.db2.gz ZIFBOOJTQZMQQI-UHFFFAOYSA-N -1 3 456.527 6.298 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2c(C)oc3ncn(C4CCCCC4)c(=O)c32)sc2c1CCCC2 ZINC000035672388 569706389 /nfs/dbraw/zinc/70/63/89/569706389.db2.gz LDHVESLGLPVGTL-UHFFFAOYSA-N -1 3 483.590 5.172 50 0 JKAAHM COc1ccccc1[C@@H]1CC(=O)Oc2cc3c(c([O-])c21)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/3 ZINC000079188405 569706985 /nfs/dbraw/zinc/70/69/85/569706985.db2.gz MYNUBSUOSNTHMV-GJLJLYNDSA-N -1 3 478.541 5.324 50 0 JKAAHM CSc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079191876 569707172 /nfs/dbraw/zinc/70/71/72/569707172.db2.gz QCSIKCTWVCXWFQ-ISKYRRHISA-N -1 3 494.609 6.037 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cccc2ccccc21)CC(=O)O3 ZINC000079194158 569707301 /nfs/dbraw/zinc/70/73/01/569707301.db2.gz BAIGPTHTFBKKCQ-KAMAGFTJSA-N -1 3 498.575 6.468 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc(O)cc1)CC(=O)O3 ZINC000079194027 569707307 /nfs/dbraw/zinc/70/73/07/569707307.db2.gz JXQFZIFQZZUTOS-QFSUHYCJSA-N -1 3 464.514 5.021 50 0 JKAAHM COc1cccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079196155 569707329 /nfs/dbraw/zinc/70/73/29/569707329.db2.gz HOKYOKFKIBBOLE-OKPFTAHKSA-N -1 3 478.541 5.324 50 0 JKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1O ZINC000079192361 569707348 /nfs/dbraw/zinc/70/73/48/569707348.db2.gz VCMBEXOPWDHANP-AFVPNGALSA-N -1 3 494.540 5.029 50 0 JKAAHM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccc5ccccc53)CC(=O)O4)c2=O)cc1 ZINC000085877984 569715997 /nfs/dbraw/zinc/71/59/97/569715997.db2.gz LMBALRLGSQCFTD-NRFANRHFSA-N -1 3 464.473 5.768 50 0 biogenic JKAAHM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)C1=O ZINC000035910042 569725216 /nfs/dbraw/zinc/72/52/16/569725216.db2.gz SVAYLSUGSOMTQT-GAJHUEQPSA-N -1 3 485.005 5.402 50 0 JKAAHM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H](C)C1=O ZINC000035910040 569725269 /nfs/dbraw/zinc/72/52/69/569725269.db2.gz SVAYLSUGSOMTQT-UZUQRXQVSA-N -1 3 485.005 5.402 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccccc3F)c2)c(C)c1 ZINC000035910259 569725554 /nfs/dbraw/zinc/72/55/54/569725554.db2.gz JSHWTJRYTAEARO-XMMPIXPASA-N -1 3 470.591 5.330 50 0 JKAAHM Cc1cccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)c1 ZINC000035910511 569725811 /nfs/dbraw/zinc/72/58/11/569725811.db2.gz GNCDLUSFLFOGNT-VWLOTQADSA-N -1 3 466.628 5.500 50 0 JKAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccccc2OCCc2ccccc2)CCO1 ZINC000096117723 569735804 /nfs/dbraw/zinc/73/58/04/569735804.db2.gz QGARGWRPVRKNOW-NTKDMRAZSA-N -1 3 493.629 5.115 50 0 JKAAHM COc1cc(/C=C2/C(=O)Nc3c2cc(Br)cc3Br)cc(Cl)c1[O-] ZINC000096836010 569743337 /nfs/dbraw/zinc/74/33/37/569743337.db2.gz BYCHTQFLWLLYDA-WTDSWWLTSA-N -1 3 459.521 5.072 50 0 JKAAHM O=S(=O)([N-]c1ccccc1Br)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072835 569750253 /nfs/dbraw/zinc/75/02/53/569750253.db2.gz HQLBEIKSLHUMRM-UHFFFAOYSA-N -1 3 459.081 5.031 50 0 JKAAHM COc1ccc([C@H]2CC(c3ccccc3[O-])=Nc3nncn32)c(COc2ccc(Cl)cc2Cl)c1 ZINC000100969303 569778010 /nfs/dbraw/zinc/77/80/10/569778010.db2.gz HDJOWWHMRVYUHJ-JOCHJYFZSA-N -1 3 495.366 5.934 50 0 JKAAHM COc1ccc([C@@H]2CC(c3ccccc3[O-])=Nc3nncn32)c(COc2ccc(Cl)cc2Cl)c1 ZINC000100969297 569778035 /nfs/dbraw/zinc/77/80/35/569778035.db2.gz HDJOWWHMRVYUHJ-QFIPXVFZSA-N -1 3 495.366 5.934 50 0 JKAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101028395 569780013 /nfs/dbraw/zinc/78/00/13/569780013.db2.gz COLRNCLXYGUNNM-BDTNDASRSA-N -1 3 469.324 5.053 50 0 JKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101167434 569785631 /nfs/dbraw/zinc/78/56/31/569785631.db2.gz LWODHHPUMNDSQK-VSKRKVRLSA-N -1 3 453.325 5.353 50 0 JKAAHM CCN(CC)c1ccc2cc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@H](C(C)(C)C)C5)c(=O)oc2c1 ZINC000101727663 569803449 /nfs/dbraw/zinc/80/34/49/569803449.db2.gz UXKMBKIDLJFZGK-INIZCTEOSA-N -1 3 477.630 5.755 50 0 JKAAHM Cc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3cc(Cl)ccc3[O-])cs2)cc1 ZINC000039959728 569812563 /nfs/dbraw/zinc/81/25/63/569812563.db2.gz KONVGIYEPXIAJF-HXUWFJFHSA-N -1 3 452.004 6.895 50 0 JKAAHM COc1ccc(NC(=O)[C@H](C)S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000040007517 569813735 /nfs/dbraw/zinc/81/37/35/569813735.db2.gz JJOXBAZFVDUBHK-GJZGRUSLSA-N -1 3 465.600 5.482 50 0 JKAAHM COc1cc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000102673155 569815469 /nfs/dbraw/zinc/81/54/69/569815469.db2.gz RWHPNQPTIHXIRZ-JOCHJYFZSA-N -1 3 473.529 5.362 50 0 JKAAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000102678403 569815694 /nfs/dbraw/zinc/81/56/94/569815694.db2.gz WPWVBWOGSHDDGV-LJQANCHMSA-N -1 3 453.464 6.447 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1Cl ZINC000102693819 569816039 /nfs/dbraw/zinc/81/60/39/569816039.db2.gz UEOMMGWREDPZEA-BHIFYINESA-N -1 3 497.776 5.462 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1Cl ZINC000102702894 569816171 /nfs/dbraw/zinc/81/61/71/569816171.db2.gz ONSLCKWIYPZTSG-FDFHNCONSA-N -1 3 453.325 5.353 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000102704084 569816402 /nfs/dbraw/zinc/81/64/02/569816402.db2.gz MPCYRNRFSSRROT-PCCBWWKXSA-N -1 3 483.749 5.154 50 0 JKAAHM Cc1cc(C)cc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000102715291 569817074 /nfs/dbraw/zinc/81/70/74/569817074.db2.gz UEVQERKSIRJSAR-DNVJHFABSA-N -1 3 477.358 5.117 50 0 JKAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102723711 569817538 /nfs/dbraw/zinc/81/75/38/569817538.db2.gz COLRNCLXYGUNNM-BHDDXSALSA-N -1 3 469.324 5.053 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3Cc2ccccc2)cc1 ZINC000102724428 569817583 /nfs/dbraw/zinc/81/75/83/569817583.db2.gz IPFLJDRUQGGQBC-KWXIBIRDSA-N -1 3 470.569 5.177 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)cc1 ZINC000102727353 569817763 /nfs/dbraw/zinc/81/77/63/569817763.db2.gz ODJHQDUYRVGTKL-TZRRMPRUSA-N -1 3 462.933 5.180 50 0 JKAAHM COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102726398 569817814 /nfs/dbraw/zinc/81/78/14/569817814.db2.gz HEBPGXFSRJKKIQ-YPAWHYETSA-N -1 3 469.324 5.053 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000102734237 569818404 /nfs/dbraw/zinc/81/84/04/569818404.db2.gz CRYCDDDPTISSKT-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000102734236 569818428 /nfs/dbraw/zinc/81/84/28/569818428.db2.gz CRYCDDDPTISSKT-BHIFYINESA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000102732863 569818469 /nfs/dbraw/zinc/81/84/69/569818469.db2.gz JZQHUOCERVLIIQ-BHDDXSALSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000102735044 569818736 /nfs/dbraw/zinc/81/87/36/569818736.db2.gz DARZNMVGTHKPQI-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(=O)C32)c(OC)c1OC ZINC000102739863 569818965 /nfs/dbraw/zinc/81/89/65/569818965.db2.gz OZJUJEIBZTYYJG-ZUOKHONESA-N -1 3 482.924 5.378 50 0 JKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102753228 569821123 /nfs/dbraw/zinc/82/11/23/569821123.db2.gz LBUYNAOGDHTSOT-MQSCRBSSSA-N -1 3 499.350 5.149 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1C ZINC000102755740 569821306 /nfs/dbraw/zinc/82/13/06/569821306.db2.gz WQTMRVXPDUQCJJ-RJGXRXQPSA-N -1 3 467.352 5.661 50 0 JKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102757133 569821442 /nfs/dbraw/zinc/82/14/42/569821442.db2.gz LWODHHPUMNDSQK-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102760026 569821900 /nfs/dbraw/zinc/82/19/00/569821900.db2.gz CICFCRFDQMHNBT-DNVJHFABSA-N -1 3 498.457 5.035 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2C)cc1 ZINC000102762681 569822504 /nfs/dbraw/zinc/82/25/04/569822504.db2.gz YLBGUIGLMBCHGJ-KKUQBAQOSA-N -1 3 456.542 5.143 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000102765151 569822906 /nfs/dbraw/zinc/82/29/06/569822906.db2.gz 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O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2Cl)c1 ZINC000003031000 194212599 /nfs/dbraw/zinc/21/25/99/194212599.db2.gz VHKNYNTZAPWXOB-UHFFFAOYSA-N -1 3 487.767 5.517 50 0 aggregator JKAAHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000003022366 194209245 /nfs/dbraw/zinc/20/92/45/194209245.db2.gz IBMQGHFABZDACI-UHFFFAOYSA-N -1 3 467.349 5.172 50 0 JKAAHM O=C([N-]N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000003105373 194226467 /nfs/dbraw/zinc/22/64/67/194226467.db2.gz ZEMKVCROWAETMV-UHFFFAOYSA-N -1 3 472.926 5.548 50 0 JKAAHM COc1ccc(-c2c(C(=O)OC(C)(C)C)cc([O-])c3c2cc(OC)c(OC)c3OC)cc1OC ZINC000003131442 194229796 /nfs/dbraw/zinc/22/97/96/194229796.db2.gz PKXFTGAYOBXESM-UHFFFAOYSA-N -1 3 470.518 5.211 50 0 JKAAHM CCN(C(=O)c1ccccc1[O-])[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1Cl ZINC000003146507 194232043 /nfs/dbraw/zinc/23/20/43/194232043.db2.gz MNMZNLZMEKKUKS-HSZRJFAPSA-N -1 3 471.384 6.158 50 0 JKAAHM CCN(CC)c1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000003188297 194236323 /nfs/dbraw/zinc/23/63/23/194236323.db2.gz VQJATUFPNCQOSU-UHFFFAOYSA-N -1 3 476.627 5.642 50 0 JKAAHM CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[N-]c2c(F)cccc2F)c(Cl)cc1Cl ZINC000003229522 194245518 /nfs/dbraw/zinc/24/55/18/194245518.db2.gz SGIGVXRNVZIVLX-UHFFFAOYSA-N -1 3 485.339 5.739 50 0 JKAAHM CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[N-]c2nnc(C3CC3)s2)c(Cl)cc1Cl ZINC000003229527 194245548 /nfs/dbraw/zinc/24/55/48/194245548.db2.gz AWEFQFFCLJJWKE-UHFFFAOYSA-N -1 3 497.429 5.190 50 0 JKAAHM CC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)nc1-c1ccccc1 ZINC000003230597 194245752 /nfs/dbraw/zinc/24/57/52/194245752.db2.gz GNQLWCFUQJLFEU-UHFFFAOYSA-N -1 3 495.557 5.205 50 0 JKAAHM O=C(CSc1nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2o1)c1ccccc1F ZINC000003245555 194249968 /nfs/dbraw/zinc/24/99/68/194249968.db2.gz WQNXEDNLBHPIKD-UHFFFAOYSA-N -1 3 476.938 5.396 50 0 JKAAHM O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003266985 194256999 /nfs/dbraw/zinc/25/69/99/194256999.db2.gz STNZXYKQRXWOFK-UHFFFAOYSA-N -1 3 489.302 6.065 50 0 JKAAHM Cc1sc2[n-]c(COC(=O)c3cc(-c4cccc5ccccc54)nc4ccccc43)nc(=O)c2c1C ZINC000003271568 194258305 /nfs/dbraw/zinc/25/83/05/194258305.db2.gz WGDCWQNACOKDLH-UHFFFAOYSA-N -1 3 491.572 6.327 50 0 JKAAHM Cc1sc2[n-]c(COC(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)nc(=O)c2c1C ZINC000003301631 194272772 /nfs/dbraw/zinc/27/27/72/194272772.db2.gz HWVMGVLTKPPBCA-UHFFFAOYSA-N -1 3 475.957 5.827 50 0 JKAAHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000003411157 194315800 /nfs/dbraw/zinc/31/58/00/194315800.db2.gz KYIXAICQOCAXBH-UHFFFAOYSA-N -1 3 479.480 6.501 50 0 JKAAHM Cc1ccc(OCc2nc(SCC(=O)Nc3cc(-c4ccccc4)nn3-c3ccccc3)n[n-]2)cc1 ZINC000003418197 194317705 /nfs/dbraw/zinc/31/77/05/194317705.db2.gz DYIUHQNPOFCUQU-UHFFFAOYSA-N -1 3 496.596 5.276 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccccc1Cc1ccccc1 ZINC000003450188 194328628 /nfs/dbraw/zinc/32/86/28/194328628.db2.gz XTLBHEWRNYIUON-UHFFFAOYSA-N -1 3 450.564 5.742 50 0 JKAAHM C[C@@H](Nc1cc(Cl)ccc1Sc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000003476707 194331490 /nfs/dbraw/zinc/33/14/90/194331490.db2.gz LYTFVSLPTLZLFU-LSDHHAIUSA-N -1 3 482.074 7.087 50 0 JKAAHM COc1ccc(CCNC(=O)C[C@@H](c2ccccc2)c2cc(Br)ccc2[O-])cc1OC ZINC000003633574 194344828 /nfs/dbraw/zinc/34/48/28/194344828.db2.gz ZICXPYRKXVVYRC-FQEVSTJZSA-N -1 3 484.390 5.053 50 0 biogenic JKAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(Cc2ccccc2)c1CN1CCCC[C@H]1C ZINC000003646860 194348837 /nfs/dbraw/zinc/34/88/37/194348837.db2.gz LOICKTFRXDFLIA-QGZVFWFLSA-N -1 3 485.422 5.709 50 0 JKAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(Cc2ccccc2)c1CN1CCCC[C@@H]1C ZINC000003646863 194348927 /nfs/dbraw/zinc/34/89/27/194348927.db2.gz LOICKTFRXDFLIA-KRWDZBQOSA-N -1 3 485.422 5.709 50 0 JKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000003655342 194352083 /nfs/dbraw/zinc/35/20/83/194352083.db2.gz BIXJRXXZSYSNAP-UHFFFAOYSA-N -1 3 474.310 6.733 50 0 JKAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(Br)cc1 ZINC000003770707 194361013 /nfs/dbraw/zinc/36/10/13/194361013.db2.gz YBYIMAPWAPQUSR-UHFFFAOYSA-N -1 3 484.400 5.558 50 0 JKAAHM CC(=O)c1c(C)nc(-c2sc3nc(-c4ccccc4)nc([N-]c4nc(C)cc(C)n4)c3c2C)nc1N ZINC000003771819 194361403 /nfs/dbraw/zinc/36/14/03/194361403.db2.gz QQUOACRMJVLSAZ-UHFFFAOYSA-N -1 3 496.600 5.367 50 0 JKAAHM CN1c2ccccc2C(C)(C)[C@]12Cc1cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc1O2 ZINC000006182348 194418542 /nfs/dbraw/zinc/41/85/42/194418542.db2.gz WQGYSSSSZRJMTM-XMMPIXPASA-N -1 3 454.979 5.200 50 0 JKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])cc1OC ZINC000009129721 194559304 /nfs/dbraw/zinc/55/93/04/194559304.db2.gz LFDVNMVWNUYFHL-UHFFFAOYSA-N -1 3 471.340 6.352 50 0 JKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1noc2c1CCc1cc(OC)ccc1-2 ZINC000009597957 194797040 /nfs/dbraw/zinc/79/70/40/194797040.db2.gz BQNWIHDPPWWIDP-UHFFFAOYSA-N -1 3 474.538 5.606 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nc(-c4cccs4)cn3-c3ccccc3)nc(=O)c2c1C ZINC000009613456 194820211 /nfs/dbraw/zinc/82/02/11/194820211.db2.gz GYWAJWPHKOYUBV-UHFFFAOYSA-N -1 3 478.624 5.702 50 0 JKAAHM COc1cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc(Br)c1[O-] ZINC000009763550 194949075 /nfs/dbraw/zinc/94/90/75/194949075.db2.gz LIGURYVQDCMVBO-UHFFFAOYSA-N -1 3 475.386 6.923 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)nc(=O)c2c1C ZINC000009910288 195021150 /nfs/dbraw/zinc/02/11/50/195021150.db2.gz LRFLGKQSWORXRC-VIFPVBQESA-N -1 3 472.617 5.024 50 0 JKAAHM O=C(CCCSc1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000009910365 195021346 /nfs/dbraw/zinc/02/13/46/195021346.db2.gz GOCOXZBJMKAANT-UHFFFAOYSA-N -1 3 455.004 6.833 50 0 JKAAHM O=C(CCCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009883468 195011844 /nfs/dbraw/zinc/01/18/44/195011844.db2.gz XORKNRQHGHLFJC-UHFFFAOYSA-N -1 3 469.563 5.198 50 0 JKAAHM CC(C)CN(CC(C)C)C(=O)CS[C@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000012617779 195055703 /nfs/dbraw/zinc/05/57/03/195055703.db2.gz FPOCYXVBTFJLTR-OAHLLOKOSA-N -1 3 463.694 5.648 50 0 JKAAHM C[C@@H]1CCc2c(sc3[n-]c(COC(=O)c4c5ccccc5nc5c4C[C@H](C)CC5)nc(=O)c23)C1 ZINC000012624390 195058861 /nfs/dbraw/zinc/05/88/61/195058861.db2.gz LPKYUWHVYPRSQK-HUUCEWRRSA-N -1 3 473.598 5.139 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(Nc3ncnc4sc5c(c43)CCC5)ccc2C)c(C)c1 ZINC000012644226 195073202 /nfs/dbraw/zinc/07/32/02/195073202.db2.gz WJSIAKUWFAYKFA-UHFFFAOYSA-N -1 3 464.616 5.650 50 0 JKAAHM Cc1sc2[n-]c(C(=Cc3cccc(OCc4ccccc4)c3)C(=O)N3CCCC3)nc(=O)c2c1C ZINC000012634476 195066161 /nfs/dbraw/zinc/06/61/61/195066161.db2.gz LTKMAYUWYJIISN-XQNSMLJCSA-N -1 3 485.609 5.343 50 0 JKAAHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000012732516 195099097 /nfs/dbraw/zinc/09/90/97/195099097.db2.gz AKBDLLPZYHTMDA-UHFFFAOYSA-N -1 3 462.229 5.054 50 0 JKAAHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000012732516 195099099 /nfs/dbraw/zinc/09/90/99/195099099.db2.gz AKBDLLPZYHTMDA-UHFFFAOYSA-N -1 3 462.229 5.054 50 0 JKAAHM Cc1sc2[n-]c(CN[C@@H](C)c3ccccc3Br)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012739570 195100484 /nfs/dbraw/zinc/10/04/84/195100484.db2.gz HNEBGLLRZLBYEA-AWEZNQCLSA-N -1 3 468.420 5.882 50 0 JKAAHM CCCn1c(Cc2ccccc2)nnc1SCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000012748720 195103952 /nfs/dbraw/zinc/10/39/52/195103952.db2.gz NZKNSAAQKDFJOJ-UHFFFAOYSA-N -1 3 493.683 5.906 50 0 JKAAHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012770737 195117429 /nfs/dbraw/zinc/11/74/29/195117429.db2.gz QNUGFKNQLIAQLP-UHFFFAOYSA-N -1 3 453.322 5.115 50 0 JKAAHM O=c1nc(CSc2nnc(NCCc3cccs3)s2)[n-]c2scc(-c3ccccc3)c21 ZINC000012794631 195134754 /nfs/dbraw/zinc/13/47/54/195134754.db2.gz ZENPJBXRTDZXNB-UHFFFAOYSA-N -1 3 483.669 5.512 50 0 JKAAHM Cc1occc1-c1nnc(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)n1C ZINC000012801558 195139574 /nfs/dbraw/zinc/13/95/74/195139574.db2.gz SWRWWGCVOKLBTN-NSHDSACASA-N -1 3 455.590 5.263 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(NCc5ccccc5)s4)nc(=O)c23)s1 ZINC000012818921 195148424 /nfs/dbraw/zinc/14/84/24/195148424.db2.gz CSHRBBCILIUDQE-UHFFFAOYSA-N -1 3 483.669 5.777 50 0 JKAAHM COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3ccccc3Br)[n-]c2=S)c1 ZINC000012897147 195175899 /nfs/dbraw/zinc/17/58/99/195175899.db2.gz OCMNMDFEQATXEQ-GOSISDBHSA-N -1 3 475.412 5.182 50 0 JKAAHM Cc1sc2[n-]c(CSc3ncc(-c4ccc(F)cc4)o3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012901544 195177639 /nfs/dbraw/zinc/17/76/39/195177639.db2.gz KOEIKCPUWXJLKJ-UHFFFAOYSA-N -1 3 463.559 6.355 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020677841 195202674 /nfs/dbraw/zinc/20/26/74/195202674.db2.gz DWFLHTPHKKIACG-SANMLTNESA-N -1 3 495.957 5.632 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020714193 195206022 /nfs/dbraw/zinc/20/60/22/195206022.db2.gz 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50 0 JKAAHM CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000033170580 519702178 /nfs/dbraw/zinc/70/21/78/519702178.db2.gz BMOQHLOTLORDRN-KTKRTIGZSA-N -1 3 453.564 5.146 50 0 JKAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)cc1 ZINC000033115393 519838708 /nfs/dbraw/zinc/83/87/08/519838708.db2.gz YGLFLUQODAXBSG-UHFFFAOYSA-N -1 3 454.636 5.481 50 0 JKAAHM CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000014967211 520465983 /nfs/dbraw/zinc/46/59/83/520465983.db2.gz FVJXVTXBYDCYJF-UHFFFAOYSA-N -1 3 455.904 5.452 50 0 JKAAHM CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc32)cc(Cl)c1[O-] ZINC000033039529 520620540 /nfs/dbraw/zinc/62/05/40/520620540.db2.gz MOXZMVIHFQYWHT-CIAFOILYSA-N -1 3 463.917 5.176 50 0 JKAAHM CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c([N-]C(=O)c2cc(C)no2)c1 ZINC000036783930 520808367 /nfs/dbraw/zinc/80/83/67/520808367.db2.gz IZNATTGTVNFPPP-UHFFFAOYSA-N -1 3 498.388 5.365 50 0 JKAAHM 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C=Cc1ccc(Cn2c3cc(OC)ccc3c(CNCc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009532216 555327079 /nfs/dbraw/zinc/32/70/79/555327079.db2.gz GCOFOCSKBYIGHV-UHFFFAOYSA-N -1 3 460.961 5.983 50 0 JKAAHM CCOc1ccccc1CNCc1c2ccc(OC)cc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000009532040 555327087 /nfs/dbraw/zinc/32/70/87/555327087.db2.gz LHCFLSWGAKFYED-UHFFFAOYSA-N -1 3 462.521 5.224 50 0 JKAAHM COc1ccc(Cn2c3cc(OC)ccc3c(CNCc3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000009532251 555327227 /nfs/dbraw/zinc/32/72/27/555327227.db2.gz PDLXFPVQAKZOLF-UHFFFAOYSA-N -1 3 464.949 5.348 50 0 JKAAHM COc1ccc2c(CNCc3ccc(SC)cc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532553 555327470 /nfs/dbraw/zinc/32/74/70/555327470.db2.gz SNLZQEXFVQWKJM-UHFFFAOYSA-N -1 3 464.562 5.547 50 0 JKAAHM Cc1ccc(SCCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)cc1 ZINC000009540104 555332667 /nfs/dbraw/zinc/33/26/67/555332667.db2.gz LFKQZRWVZSJNIO-UHFFFAOYSA-N -1 3 478.998 5.709 50 0 JKAAHM FC(F)(F)c1ccccc1-n1c(Cn2c3ccccc3nc2-c2ccccn2)n[n-]c1=S ZINC000009541982 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50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679030 555403421 /nfs/dbraw/zinc/40/34/21/555403421.db2.gz ZUZNHALOYHLJOV-HSZRJFAPSA-N -1 3 460.331 5.598 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679030 555403425 /nfs/dbraw/zinc/40/34/25/555403425.db2.gz ZUZNHALOYHLJOV-HSZRJFAPSA-N -1 3 460.331 5.598 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679032 555403437 /nfs/dbraw/zinc/40/34/37/555403437.db2.gz RXGURGWJKXOUKU-XMMPIXPASA-N -1 3 490.357 5.606 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679032 555403441 /nfs/dbraw/zinc/40/34/41/555403441.db2.gz RXGURGWJKXOUKU-XMMPIXPASA-N -1 3 490.357 5.606 50 0 JKAAHM CCOc1cc([C@H]2c3c(-c4ccc(C)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000009679028 555403534 /nfs/dbraw/zinc/40/35/34/555403534.db2.gz VMPSBQSSPVIIRF-VWLOTQADSA-N -1 3 459.933 5.893 50 0 JKAAHM CCOc1cc([C@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000009679028 555403536 /nfs/dbraw/zinc/40/35/36/555403536.db2.gz VMPSBQSSPVIIRF-VWLOTQADSA-N -1 3 459.933 5.893 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(F)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679047 555403675 /nfs/dbraw/zinc/40/36/75/555403675.db2.gz KWIOGFVMHFUYCN-HSZRJFAPSA-N -1 3 478.321 5.737 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(F)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679047 555403678 /nfs/dbraw/zinc/40/36/78/555403678.db2.gz KWIOGFVMHFUYCN-HSZRJFAPSA-N -1 3 478.321 5.737 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679037 555403691 /nfs/dbraw/zinc/40/36/91/555403691.db2.gz QUMSICBTVUXGOS-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679037 555403696 /nfs/dbraw/zinc/40/36/96/555403696.db2.gz QUMSICBTVUXGOS-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM 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Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679145 555404158 /nfs/dbraw/zinc/40/41/58/555404158.db2.gz DWLFFWUJQCLBCD-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679171 555404348 /nfs/dbraw/zinc/40/43/48/555404348.db2.gz UFIDJTWHKISWDR-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679171 555404351 /nfs/dbraw/zinc/40/43/51/555404351.db2.gz UFIDJTWHKISWDR-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679162 555404379 /nfs/dbraw/zinc/40/43/79/555404379.db2.gz SEQBXTLVTDIBQJ-DEOSSOPVSA-N -1 3 474.358 5.906 50 0 JKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679162 555404383 /nfs/dbraw/zinc/40/43/83/555404383.db2.gz SEQBXTLVTDIBQJ-DEOSSOPVSA-N -1 3 474.358 5.906 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679232 555404697 /nfs/dbraw/zinc/40/46/97/555404697.db2.gz QPGBHCKDCGZELJ-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679232 555404698 /nfs/dbraw/zinc/40/46/98/555404698.db2.gz QPGBHCKDCGZELJ-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679216 555404796 /nfs/dbraw/zinc/40/47/96/555404796.db2.gz QGCLAOKCMORLQX-DEOSSOPVSA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679216 555404797 /nfs/dbraw/zinc/40/47/97/555404797.db2.gz QGCLAOKCMORLQX-DEOSSOPVSA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679215 555404819 /nfs/dbraw/zinc/40/48/19/555404819.db2.gz QGCLAOKCMORLQX-XMMPIXPASA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679215 555404821 /nfs/dbraw/zinc/40/48/21/555404821.db2.gz QGCLAOKCMORLQX-XMMPIXPASA-N -1 3 457.917 5.657 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679238 555404833 /nfs/dbraw/zinc/40/48/33/555404833.db2.gz MOPBKMVERRHLPD-XMMPIXPASA-N -1 3 492.362 6.310 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679238 555404836 /nfs/dbraw/zinc/40/48/36/555404836.db2.gz MOPBKMVERRHLPD-XMMPIXPASA-N -1 3 492.362 6.310 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679197 555404868 /nfs/dbraw/zinc/40/48/68/555404868.db2.gz IPDPKWDUNHWCSI-HSZRJFAPSA-N -1 3 460.331 5.603 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679197 555404870 /nfs/dbraw/zinc/40/48/70/555404870.db2.gz IPDPKWDUNHWCSI-HSZRJFAPSA-N -1 3 460.331 5.603 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679244 555405254 /nfs/dbraw/zinc/40/52/54/555405254.db2.gz WODULHUPVYTOTF-AREMUKBSSA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679244 555405256 /nfs/dbraw/zinc/40/52/56/555405256.db2.gz WODULHUPVYTOTF-AREMUKBSSA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679265 555405409 /nfs/dbraw/zinc/40/54/09/555405409.db2.gz HQUGCOZWUNWSOT-VWLOTQADSA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679265 555405412 /nfs/dbraw/zinc/40/54/12/555405412.db2.gz HQUGCOZWUNWSOT-VWLOTQADSA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000009679328 555405812 /nfs/dbraw/zinc/40/58/12/555405812.db2.gz SKGHPHDHJULXPF-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000009679328 555405814 /nfs/dbraw/zinc/40/58/14/555405814.db2.gz SKGHPHDHJULXPF-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2cccs2)cc1 ZINC000009679367 555405861 /nfs/dbraw/zinc/40/58/61/555405861.db2.gz NPCSICINJUQWDE-HSZRJFAPSA-N -1 3 459.527 5.073 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2cccs2)cc1 ZINC000009679367 555405863 /nfs/dbraw/zinc/40/58/63/555405863.db2.gz NPCSICINJUQWDE-HSZRJFAPSA-N -1 3 459.527 5.073 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2OC)cc1 ZINC000009679323 555405915 /nfs/dbraw/zinc/40/59/15/555405915.db2.gz GQBWHNDDPMPUSY-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2OC)cc1 ZINC000009679323 555405920 /nfs/dbraw/zinc/40/59/20/555405920.db2.gz GQBWHNDDPMPUSY-AREMUKBSSA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679414 555406471 /nfs/dbraw/zinc/40/64/71/555406471.db2.gz VUAQWXNEXOXEKM-AREMUKBSSA-N -1 3 485.515 5.541 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679414 555406473 /nfs/dbraw/zinc/40/64/73/555406473.db2.gz VUAQWXNEXOXEKM-AREMUKBSSA-N -1 3 485.515 5.541 50 0 JKAAHM Cc1c(C(=O)Nc2ccc(F)cc2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000009684856 555413625 /nfs/dbraw/zinc/41/36/25/555413625.db2.gz FJGNLJBEDTWOAK-UHFFFAOYSA-N -1 3 453.564 5.594 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000013513033 555484136 /nfs/dbraw/zinc/48/41/36/555484136.db2.gz QWXNRGCHBHSMDQ-NJDAHSKKSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000009805493 555517465 /nfs/dbraw/zinc/51/74/65/555517465.db2.gz SEZVNAWHTKLZLZ-UUASQNMZSA-N -1 3 489.693 5.026 50 0 JKAAHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009816395 555521924 /nfs/dbraw/zinc/52/19/24/555521924.db2.gz XEPMUXFQEJANMA-GOSISDBHSA-N -1 3 495.601 5.256 50 0 JKAAHM C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013617550 555536961 /nfs/dbraw/zinc/53/69/61/555536961.db2.gz POFJLUIMNQZBLM-ZFGGDYGUSA-N -1 3 453.325 5.435 50 0 JKAAHM Cc1cc(NC(=O)c2cc(Br)ccc2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000013624581 555538514 /nfs/dbraw/zinc/53/85/14/555538514.db2.gz XWJTVPRVJIPPBU-UHFFFAOYSA-N -1 3 457.711 6.177 50 0 JKAAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4ccccc4SC)c(Cl)c3n2)cc1 ZINC000013642473 555548165 /nfs/dbraw/zinc/54/81/65/555548165.db2.gz YFPRYGVPCGVHJS-UHFFFAOYSA-N -1 3 492.910 6.051 50 0 JKAAHM Cc1ccc(C2=NN(c3nc(-c4ccco4)cc(C(F)(F)F)n3)[C@]([O-])(C(F)(F)F)C2)cc1C ZINC000013642974 555548415 /nfs/dbraw/zinc/54/84/15/555548415.db2.gz ZHIAUVHSCFVAEM-LJQANCHMSA-N -1 3 470.373 5.238 50 0 JKAAHM CCc1ccc(C2=NN(c3nc(-c4ccco4)cc(C(F)(F)F)n3)[C@]([O-])(C(F)(F)F)C2)cc1 ZINC000013643042 555548434 /nfs/dbraw/zinc/54/84/34/555548434.db2.gz SSEZHSYWOCUPCC-LJQANCHMSA-N -1 3 470.373 5.183 50 0 JKAAHM COc1cccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@]([O-])(C(F)(F)F)C2)c1 ZINC000013642986 555548480 /nfs/dbraw/zinc/54/84/80/555548480.db2.gz BOHGHZXAKPODDK-GOSISDBHSA-N -1 3 488.413 5.098 50 0 JKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000013643020 555548521 /nfs/dbraw/zinc/54/85/21/555548521.db2.gz FAVJBVLRXWOBBF-OAQYLSRUSA-N -1 3 492.379 5.774 50 0 JKAAHM COc1cccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccc(C)cc4)C[C@]3([O-])C(F)(F)F)n2)c1 ZINC000013643090 555548743 /nfs/dbraw/zinc/54/87/43/555548743.db2.gz UCIZKSFSFVJEIL-NRFANRHFSA-N -1 3 496.411 5.345 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000013648320 555552665 /nfs/dbraw/zinc/55/26/65/555552665.db2.gz COTZMDSNSBKJSY-DSNGMDLFSA-N -1 3 489.358 6.198 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(C)c2)cc1 ZINC000009972047 555571082 /nfs/dbraw/zinc/57/10/82/555571082.db2.gz DQJPUULPXHHAGN-UHFFFAOYSA-N -1 3 478.492 5.141 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000013748400 555607699 /nfs/dbraw/zinc/60/76/99/555607699.db2.gz LODGTGWMDUNYSX-NJDAHSKKSA-N -1 3 483.749 5.154 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000013748836 555607770 /nfs/dbraw/zinc/60/77/70/555607770.db2.gz MBCNFBVUAFGFST-XPWALMASSA-N -1 3 473.891 5.078 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000013749619 555608604 /nfs/dbraw/zinc/60/86/04/555608604.db2.gz BPYRSUOIWUFAKD-SVFBPWRDSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000013751732 555609980 /nfs/dbraw/zinc/60/99/80/555609980.db2.gz WAPOCQCSDFBCDR-SFHLNBCPSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000013757983 555611529 /nfs/dbraw/zinc/61/15/29/555611529.db2.gz TYYYZVFMEZMZRG-NJDAHSKKSA-N -1 3 457.288 5.184 50 0 JKAAHM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013776144 555616453 /nfs/dbraw/zinc/61/64/53/555616453.db2.gz TUOGVVHZFULDKU-ZJQURUERSA-N -1 3 471.395 5.344 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000013776702 555616678 /nfs/dbraw/zinc/61/66/78/555616678.db2.gz BMXLBVHMRKTPIY-DSNGMDLFSA-N -1 3 454.457 5.137 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000013777199 555617169 /nfs/dbraw/zinc/61/71/69/555617169.db2.gz KRQCFZNUKDVABU-NJDAHSKKSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000013786537 555619163 /nfs/dbraw/zinc/61/91/63/555619163.db2.gz XAWGCHOHQDTCLG-SFHLNBCPSA-N -1 3 457.288 5.184 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cccc(C)c3C)cc2)c(C)c1 ZINC000013936315 555648971 /nfs/dbraw/zinc/64/89/71/555648971.db2.gz NJTJNLFRDRVBQN-UHFFFAOYSA-N -1 3 453.633 5.838 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000013936317 555649021 /nfs/dbraw/zinc/64/90/21/555649021.db2.gz ZLHOJNKQJGQDKX-UHFFFAOYSA-N -1 3 453.633 5.838 50 0 JKAAHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000010253525 555661708 /nfs/dbraw/zinc/66/17/08/555661708.db2.gz REMLKVHAOMIRQW-UHFFFAOYSA-N -1 3 452.557 5.103 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CN[C@@H](c4ccc5c(c4)OCCO5)C(C)C)nc(=O)c23)s1 ZINC000014123985 555695652 /nfs/dbraw/zinc/69/56/52/555695652.db2.gz GBFLHRYFSYTYHO-JOCHJYFZSA-N -1 3 467.616 5.280 50 0 JKAAHM C[C@H](Sc1nnc(-c2cccs2)n1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000010710055 555735639 /nfs/dbraw/zinc/73/56/39/555735639.db2.gz RKLHCZFRPHNNEW-JTQLQIEISA-N -1 3 457.631 5.423 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(NCCc5ccccc5)s4)nc(=O)c23)s1 ZINC000010778474 555739396 /nfs/dbraw/zinc/73/93/96/555739396.db2.gz NEQIHESKNRSKJJ-UHFFFAOYSA-N -1 3 497.696 5.820 50 0 JKAAHM C[C@@H](Sc1nnc(NCc2ccco2)s1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000014303316 555794119 /nfs/dbraw/zinc/79/41/19/555794119.db2.gz SQHJTSFTKLSLCO-SNVBAGLBSA-N -1 3 473.630 5.623 50 0 JKAAHM COc1ccc(-c2c(C(F)(F)F)noc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000011866324 555841474 /nfs/dbraw/zinc/84/14/74/555841474.db2.gz VYUMZMXBWPDWHN-UHFFFAOYSA-N -1 3 459.395 6.460 50 0 JKAAHM [O-]c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1Br ZINC000015016258 555857442 /nfs/dbraw/zinc/85/74/42/555857442.db2.gz ZEUJHWUUSZVNFY-OAQYLSRUSA-N -1 3 493.386 5.802 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000015021525 555863377 /nfs/dbraw/zinc/86/33/77/555863377.db2.gz BLTJNFJXLBTNNP-QHAWAJNXSA-N -1 3 491.733 5.837 50 0 JKAAHM Cc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3ccccc3)n[nH]2)c(O)c1C ZINC000011913910 555864064 /nfs/dbraw/zinc/86/40/64/555864064.db2.gz QBEVPLLRZVJYJG-UHFFFAOYSA-N -1 3 466.497 5.650 50 0 JKAAHM C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000022248980 555899178 /nfs/dbraw/zinc/89/91/78/555899178.db2.gz BVYWAGUMKOVGNU-JTQLQIEISA-N -1 3 490.557 6.528 50 0 JKAAHM C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000022248976 555899251 /nfs/dbraw/zinc/89/92/51/555899251.db2.gz BVYWAGUMKOVGNU-SNVBAGLBSA-N -1 3 490.557 6.528 50 0 JKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2O)[nH]n1 ZINC000012062606 555900197 /nfs/dbraw/zinc/90/01/97/555900197.db2.gz PWBCWKZCUNGAER-UHFFFAOYSA-N -1 3 472.888 5.687 50 0 JKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(Br)ccc3c2C)cc1 ZINC000012111533 555908315 /nfs/dbraw/zinc/90/83/15/555908315.db2.gz AEUXGXIHXQKDBK-UHFFFAOYSA-N -1 3 456.296 5.595 50 0 JKAAHM 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COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccc(C)cc3)cs2)[C@@]1([O-])C(F)(F)F ZINC000016957595 556188534 /nfs/dbraw/zinc/18/85/34/556188534.db2.gz UQVISVWRDXXJCH-GCJKJVERSA-N -1 3 459.493 5.165 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c(C)c1 ZINC000016994319 556198616 /nfs/dbraw/zinc/19/86/16/556198616.db2.gz HBRXIYQMVGEYKS-UHFFFAOYSA-N -1 3 473.602 5.998 50 0 JKAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000017013805 556203802 /nfs/dbraw/zinc/20/38/02/556203802.db2.gz WPVRRGBJXAQDNL-UHFFFAOYSA-N -1 3 485.613 5.597 50 0 JKAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000017013870 556203921 /nfs/dbraw/zinc/20/39/21/556203921.db2.gz TXAHZHDXLMGGRJ-UHFFFAOYSA-N -1 3 473.602 5.473 50 0 JKAAHM CCCOc1c(Br)cc(/C=C/C(=O)c2ccc([O-])c(CCCl)c2)cc1OC ZINC000013013634 556204928 /nfs/dbraw/zinc/20/49/28/556204928.db2.gz MELIHQZUIOFNDJ-GQCTYLIASA-N -1 3 453.760 5.630 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c(C)c1 ZINC000017026002 556205431 /nfs/dbraw/zinc/20/54/31/556205431.db2.gz PPUWFBPRJKKDFZ-UHFFFAOYSA-N -1 3 459.575 5.690 50 0 JKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)n2)cc1 ZINC000017026557 556206543 /nfs/dbraw/zinc/20/65/43/556206543.db2.gz JQLQXZZOTFTHND-UHFFFAOYSA-N -1 3 489.601 5.698 50 0 JKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4C)cc3)n2)cc1 ZINC000017042880 556209764 /nfs/dbraw/zinc/20/97/64/556209764.db2.gz SMKHVXZIYWMTDZ-UHFFFAOYSA-N -1 3 473.602 5.998 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(OCc2ccccc2)cc1 ZINC000025390110 556211849 /nfs/dbraw/zinc/21/18/49/556211849.db2.gz MRNOWGFVAVONGI-UHFFFAOYSA-N -1 3 466.563 5.731 50 0 JKAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(NC(=O)/C=C/c3cccs3)c2)c1 ZINC000025422953 556214425 /nfs/dbraw/zinc/21/44/25/556214425.db2.gz UQMKOSYHGKHYPD-CSKARUKUSA-N -1 3 477.405 5.272 50 0 JKAAHM CCCCCCc1ccc(C(=O)[C@@H](C)Sc2nc3c(cnn3-c3nc(C)cc(C)n3)c(=O)[n-]2)cc1 ZINC000013028000 556221394 /nfs/dbraw/zinc/22/13/94/556221394.db2.gz SJDMNZASEJZTKZ-GOSISDBHSA-N -1 3 490.633 5.414 50 0 JKAAHM O=C(NCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c1 ZINC000013042349 556248965 /nfs/dbraw/zinc/24/89/65/556248965.db2.gz VVGAZXAESCIPBD-QFIPXVFZSA-N -1 3 489.424 5.279 50 0 JKAAHM CCc1ccc([C@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000027021721 556270954 /nfs/dbraw/zinc/27/09/54/556270954.db2.gz BJXOFMKGUZUORG-IBGZPJMESA-N -1 3 491.594 5.467 50 0 JKAAHM CCc1ccc([C@@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000027021727 556270964 /nfs/dbraw/zinc/27/09/64/556270964.db2.gz BJXOFMKGUZUORG-LJQANCHMSA-N -1 3 491.594 5.467 50 0 JKAAHM COc1ccc(NC(=O)c2csc3c2CCCC3)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000027071514 556273606 /nfs/dbraw/zinc/27/36/06/556273606.db2.gz PILMHNBELLWMKV-UHFFFAOYSA-N -1 3 477.007 5.342 50 0 JKAAHM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C([O-])=C2ON1c1ccccc1 ZINC000018008384 556275677 /nfs/dbraw/zinc/27/56/77/556275677.db2.gz JKWILGWXNXPJPA-VSKRKVRLSA-N -1 3 452.432 5.065 50 0 JKAAHM COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000018044420 556279462 /nfs/dbraw/zinc/27/94/62/556279462.db2.gz XGKXKPRQITVARF-SJBKTWHCSA-N -1 3 469.324 5.053 50 0 JKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018084614 556285462 /nfs/dbraw/zinc/28/54/62/556285462.db2.gz LBUYNAOGDHTSOT-XJUOHMSHSA-N -1 3 499.350 5.149 50 0 JKAAHM COc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1Br ZINC000027522672 556286754 /nfs/dbraw/zinc/28/67/54/556286754.db2.gz XKYYEUSHKXWGEB-UHFFFAOYSA-N -1 3 455.333 5.692 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000018096039 556286858 /nfs/dbraw/zinc/28/68/58/556286858.db2.gz MSBVFUXMYIKKSU-GIFXNVAJSA-N -1 3 489.358 6.198 50 0 JKAAHM Cc1[nH]nc(-c2ccc(OCc3cnn(-c4ccccc4)c3)cc2[O-])c1Oc1ccc(F)cc1 ZINC000018098701 556287494 /nfs/dbraw/zinc/28/74/94/556287494.db2.gz GSSHBBZBRUAXOF-UHFFFAOYSA-N -1 3 456.477 5.787 50 0 aggregator JKAAHM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)ccc1OC(C)C ZINC000013098940 556298955 /nfs/dbraw/zinc/29/89/55/556298955.db2.gz YCSTWPYLASDFGS-UHFFFAOYSA-N -1 3 468.575 5.152 50 0 JKAAHM Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3Cl)c2)c1 ZINC000013101534 556301796 /nfs/dbraw/zinc/30/17/96/556301796.db2.gz RJNBXRKBQIVBDH-UHFFFAOYSA-N -1 3 483.804 5.686 50 0 JKAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(-c2ccccc2F)o1 ZINC000013114458 556319559 /nfs/dbraw/zinc/31/95/59/556319559.db2.gz VTOGDEDPVWCAIT-UHFFFAOYSA-N -1 3 454.454 5.278 50 0 JKAAHM C[C@@H](Sc1nnc2sc3ccccc3n12)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018331912 556319830 /nfs/dbraw/zinc/31/98/30/556319830.db2.gz QLILJTKPDYGPBZ-SNVBAGLBSA-N -1 3 451.558 5.355 50 0 JKAAHM Cc1nnc(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)n1C1CCCCC1 ZINC000013114707 556320484 /nfs/dbraw/zinc/32/04/84/556320484.db2.gz SUIUNSDTFSJRMD-GFCCVEGCSA-N -1 3 457.650 5.972 50 0 JKAAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 ZINC000013127347 556343512 /nfs/dbraw/zinc/34/35/12/556343512.db2.gz IYQCXUQBJZSNKQ-QZTJIDSGSA-N -1 3 454.317 5.577 50 0 JKAAHM O=S(=O)([N-]C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1)c1ccc(Cl)s1 ZINC000013129817 556354040 /nfs/dbraw/zinc/35/40/40/556354040.db2.gz WPZYXDNKEHFRDO-QGZVFWFLSA-N -1 3 475.850 5.518 50 0 JKAAHM O=S(=O)([N-]C[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1)c1ccc(Cl)s1 ZINC000013129816 556354052 /nfs/dbraw/zinc/35/40/52/556354052.db2.gz WPZYXDNKEHFRDO-KRWDZBQOSA-N -1 3 475.850 5.518 50 0 JKAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc4ccccc4s3)ccc2C)cc1 ZINC000013134187 556362081 /nfs/dbraw/zinc/36/20/81/556362081.db2.gz UADCWZQCEVTYPD-UHFFFAOYSA-N -1 3 467.572 5.057 50 0 JKAAHM COc1ccc(-c2noc(-c3sc([N-]C(=O)c4cc(-c5ccccc5)on4)nc3C)n2)cc1 ZINC000031812525 556406833 /nfs/dbraw/zinc/40/68/33/556406833.db2.gz KVNBAAGCRALRQB-UHFFFAOYSA-N -1 3 459.487 5.084 50 0 JKAAHM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4cc(Cl)ccc42)CC3)cc1OC ZINC000031815397 556407024 /nfs/dbraw/zinc/40/70/24/556407024.db2.gz AQAXVEFDBPQQTI-QFIPXVFZSA-N -1 3 483.977 5.146 50 0 JKAAHM COc1ccc(-c2cc(C(=O)[N-]c3nc(C)c(-c4nc(-c5ccccc5)no4)s3)no2)cc1 ZINC000031814935 556407094 /nfs/dbraw/zinc/40/70/94/556407094.db2.gz DLOKLGSTWBJFIU-UHFFFAOYSA-N -1 3 459.487 5.084 50 0 JKAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c1 ZINC000032071076 556413398 /nfs/dbraw/zinc/41/33/98/556413398.db2.gz LTLIQOYEINBNDP-KAYWLYCHSA-N -1 3 490.003 5.363 50 0 JKAAHM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032073072 556413403 /nfs/dbraw/zinc/41/34/03/556413403.db2.gz KFULQCCVFALNFW-DZIAZQJWSA-N -1 3 451.570 5.292 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032102144 556417232 /nfs/dbraw/zinc/41/72/32/556417232.db2.gz FZFBDTWUBIBSGA-HLBRERCFSA-N -1 3 481.596 5.204 50 0 JKAAHM O=C(CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2o1)Nc1ccc(F)cc1 ZINC000032741655 556481573 /nfs/dbraw/zinc/48/15/73/556481573.db2.gz YUGAPLVBWOKYGS-UHFFFAOYSA-N -1 3 491.953 5.152 50 0 JKAAHM Cc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccc(OC(C)C)cc3)c2C(=O)[O-])cc1 ZINC000008588916 562941765 /nfs/dbraw/zinc/94/17/65/562941765.db2.gz IJDOWPNTIPNGJS-UHFFFAOYSA-N -1 3 456.586 6.082 50 0 aggregator JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008595546 562943903 /nfs/dbraw/zinc/94/39/03/562943903.db2.gz ACBPSPLHLGJIET-HSZRJFAPSA-N -1 3 476.330 5.303 50 0 aggregator JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008595546 562943904 /nfs/dbraw/zinc/94/39/04/562943904.db2.gz ACBPSPLHLGJIET-HSZRJFAPSA-N -1 3 476.330 5.303 50 0 aggregator JKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008595548 562943936 /nfs/dbraw/zinc/94/39/36/562943936.db2.gz ACBPSPLHLGJIET-QHCPKHFHSA-N -1 3 476.330 5.303 50 0 aggregator JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008595548 562943937 /nfs/dbraw/zinc/94/39/37/562943937.db2.gz ACBPSPLHLGJIET-QHCPKHFHSA-N -1 3 476.330 5.303 50 0 aggregator JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008595647 562944007 /nfs/dbraw/zinc/94/40/07/562944007.db2.gz NCYZGJXGIQSDEZ-VWLOTQADSA-N -1 3 455.489 5.451 50 0 aggregator JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008595647 562944009 /nfs/dbraw/zinc/94/40/09/562944009.db2.gz NCYZGJXGIQSDEZ-VWLOTQADSA-N -1 3 455.489 5.451 50 0 aggregator JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008595614 562944015 /nfs/dbraw/zinc/94/40/15/562944015.db2.gz JMRPUDYJFCIUCJ-MHZLTWQESA-N -1 3 465.553 6.127 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008595614 562944016 /nfs/dbraw/zinc/94/40/16/562944016.db2.gz JMRPUDYJFCIUCJ-MHZLTWQESA-N -1 3 465.553 6.127 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008595656 562944037 /nfs/dbraw/zinc/94/40/37/562944037.db2.gz XLTSXRYHJRRBHI-VWLOTQADSA-N -1 3 453.498 5.017 50 0 aggregator JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008595656 562944038 /nfs/dbraw/zinc/94/40/38/562944038.db2.gz XLTSXRYHJRRBHI-VWLOTQADSA-N -1 3 453.498 5.017 50 0 aggregator JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008606340 562946744 /nfs/dbraw/zinc/94/67/44/562946744.db2.gz JMRPUDYJFCIUCJ-HHHXNRCGSA-N -1 3 465.553 6.127 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008606340 562946745 /nfs/dbraw/zinc/94/67/45/562946745.db2.gz JMRPUDYJFCIUCJ-HHHXNRCGSA-N -1 3 465.553 6.127 50 0 JKAAHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000008686647 562952877 /nfs/dbraw/zinc/95/28/77/562952877.db2.gz WKOXYIKIELUZSJ-FQEVSTJZSA-N -1 3 452.576 5.127 50 0 aggregator JKAAHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000008686649 562952879 /nfs/dbraw/zinc/95/28/79/562952879.db2.gz WKOXYIKIELUZSJ-HXUWFJFHSA-N -1 3 452.576 5.127 50 0 aggregator JKAAHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F ZINC000052509366 563204760 /nfs/dbraw/zinc/20/47/60/563204760.db2.gz GPXBXXGIAQBQNI-UHFFFAOYSA-N -1 3 489.931 5.544 50 0 aggregator,fda JKAAHM COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@]([O-])(C(F)(F)F)C2)cc1 ZINC000008711485 569596081 /nfs/dbraw/zinc/59/60/81/569596081.db2.gz MCMGVMMRTKEEJY-LJQANCHMSA-N -1 3 453.873 5.337 50 0 JKAAHM [O-]c1ccc(Cl)cc1-c1csc(N2N=C(c3ccc4c(c3)CCCC4)C[C@H]2c2ccccc2)n1 ZINC000008720940 569598270 /nfs/dbraw/zinc/59/82/70/569598270.db2.gz KPVNLKZUTWMMOM-SANMLTNESA-N -1 3 486.040 7.404 50 0 JKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1 ZINC000032974769 569605880 /nfs/dbraw/zinc/60/58/80/569605880.db2.gz AGGDYGQPLCFPSE-UHFFFAOYSA-N -1 3 499.596 5.320 50 0 JKAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)nc(C)n1 ZINC000033324516 569623631 /nfs/dbraw/zinc/62/36/31/569623631.db2.gz LNUPEYGJRUDQHN-UHFFFAOYSA-N -1 3 453.612 5.101 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033326888 569624110 /nfs/dbraw/zinc/62/41/10/569624110.db2.gz PMPWAOVDSAFHDD-UHFFFAOYSA-N -1 3 451.596 5.382 50 0 JKAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)n1 ZINC000064801747 569631548 /nfs/dbraw/zinc/63/15/48/569631548.db2.gz KPQIIHVMZURDBM-UHFFFAOYSA-N -1 3 459.575 5.013 50 0 JKAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c1 ZINC000064802010 569631661 /nfs/dbraw/zinc/63/16/61/569631661.db2.gz DOQWYNHAIUZWJF-UHFFFAOYSA-N -1 3 451.596 5.382 50 0 JKAAHM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Br)c1C ZINC000064845801 569638515 /nfs/dbraw/zinc/63/85/15/569638515.db2.gz VVEFIAYVGLTXMQ-UHFFFAOYSA-N -1 3 455.399 5.509 50 0 JKAAHM Cc1ccc(-c2nc(-c3ccc(-c4noc(C[N-]S(=O)(=O)c5ccccc5)n4)cc3)cs2)s1 ZINC000065032418 569652327 /nfs/dbraw/zinc/65/23/27/569652327.db2.gz KIASTKGLQAOWMA-UHFFFAOYSA-N -1 3 494.623 5.376 50 0 JKAAHM Cc1cc(C)cc(CN2CCCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2=O)c1 ZINC000034737586 569654528 /nfs/dbraw/zinc/65/45/28/569654528.db2.gz SVCCFUVTRCXILS-UHFFFAOYSA-N -1 3 467.566 5.076 50 0 JKAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c(OC)c1 ZINC000065060176 569655214 /nfs/dbraw/zinc/65/52/14/569655214.db2.gz HKYYAHQWDRPCMN-UHFFFAOYSA-N -1 3 467.012 5.713 50 0 JKAAHM O=C(NC1CC1)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)nc1 ZINC000065063447 569656630 /nfs/dbraw/zinc/65/66/30/569656630.db2.gz GPDPIYDIBPSDHZ-UHFFFAOYSA-N -1 3 491.613 5.615 50 0 JKAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CCCC4)cn3)cc2)cc1 ZINC000065063520 569656844 /nfs/dbraw/zinc/65/68/44/569656844.db2.gz WCTDMVCJKYRPEH-UHFFFAOYSA-N -1 3 479.602 5.471 50 0 JKAAHM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc1 ZINC000065063588 569656921 /nfs/dbraw/zinc/65/69/21/569656921.db2.gz BQLFVXSSVZOSDY-UHFFFAOYSA-N -1 3 481.618 5.520 50 0 JKAAHM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1 ZINC000065063572 569656999 /nfs/dbraw/zinc/65/69/99/569656999.db2.gz ABHUQBAVNANZHP-GOSISDBHSA-N -1 3 481.618 5.501 50 0 JKAAHM O=C(NC1CCCC1)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000065074607 569657155 /nfs/dbraw/zinc/65/71/55/569657155.db2.gz IQRKXWHAIITZID-UHFFFAOYSA-N -1 3 491.613 5.226 50 0 JKAAHM CC[C@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000065074606 569657224 /nfs/dbraw/zinc/65/72/24/569657224.db2.gz RGNUFSSYODPZDD-SFHVURJKSA-N -1 3 479.602 5.082 50 0 JKAAHM CCOC(=O)c1sc2nc(-c3cc(OC)c([O-])c(OC)c3)c(NC3CCCCC3)n2c1C ZINC000065318758 569673091 /nfs/dbraw/zinc/67/30/91/569673091.db2.gz HZHIFWRBGSBXBE-UHFFFAOYSA-N -1 3 459.568 5.015 50 0 JKAAHM CCC(C)(C)[C@@H]1CCc2c(c(-c3cc(OC)c([O-])c(OC)c3)nc3c(-c4ccccc4)c(C)nn32)C1 ZINC000035324693 569680640 /nfs/dbraw/zinc/68/06/40/569680640.db2.gz HYQXEYHDRFLJAQ-OAQYLSRUSA-N -1 3 485.628 6.636 50 0 JKAAHM CCc1cc2c(CSc3nnc(-c4ccoc4C)n3Cc3ccccc3)cc(=O)oc2cc1[O-] ZINC000068889226 569692613 /nfs/dbraw/zinc/69/26/13/569692613.db2.gz JNEADNBYZONOSZ-UHFFFAOYSA-N -1 3 473.554 5.562 50 0 JKAAHM O=C([O-])c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1NC(=O)c1ccccc1 ZINC000035422770 569692822 /nfs/dbraw/zinc/69/28/22/569692822.db2.gz IFBXUDNHKPEERI-UHFFFAOYSA-N -1 3 491.591 5.549 50 0 JKAAHM Cc1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3cnccn32)c(Br)c1 ZINC000035616439 569705529 /nfs/dbraw/zinc/70/55/29/569705529.db2.gz LWTGVNVGQBZSPO-UHFFFAOYSA-N -1 3 474.156 5.679 50 0 JKAAHM COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000035616030 569705556 /nfs/dbraw/zinc/70/55/56/569705556.db2.gz NURBSVGGTLONSP-UHFFFAOYSA-N -1 3 454.324 5.539 50 0 JKAAHM Cc1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3cnccn32)cc1Br ZINC000035622721 569705589 /nfs/dbraw/zinc/70/55/89/569705589.db2.gz CQFQVRGGAYDRJZ-UHFFFAOYSA-N -1 3 474.156 5.679 50 0 JKAAHM O=C([N-]c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cc(-c2cccs2)on1 ZINC000035671716 569706188 /nfs/dbraw/zinc/70/61/88/569706188.db2.gz SIHYHCUAYPIYIK-UHFFFAOYSA-N -1 3 472.551 6.031 50 0 JKAAHM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2C)cc1Br ZINC000035671703 569706241 /nfs/dbraw/zinc/70/62/41/569706241.db2.gz ORFCFFFMLRPMNX-UHFFFAOYSA-N -1 3 469.291 5.292 50 0 JKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)ccc1O ZINC000079190638 569707192 /nfs/dbraw/zinc/70/71/92/569707192.db2.gz YYYNXPWXUTUFAG-AFVPNGALSA-N -1 3 494.540 5.029 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccsc1)CC(=O)O3 ZINC000079191649 569707199 /nfs/dbraw/zinc/70/71/99/569707199.db2.gz XRHQUVWGGSCSKX-DDRFLTIWSA-N -1 3 454.544 5.377 50 0 JKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)ccc1O ZINC000079190633 569707212 /nfs/dbraw/zinc/70/72/12/569707212.db2.gz YYYNXPWXUTUFAG-ATAQSZIMSA-N -1 3 494.540 5.029 50 0 JKAAHM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035886874 569720648 /nfs/dbraw/zinc/72/06/48/569720648.db2.gz AWJWTMGVRJZUJX-RPBOFIJWSA-N -1 3 476.598 5.065 50 0 JKAAHM Cc1cccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)c1 ZINC000035910497 569725803 /nfs/dbraw/zinc/72/58/03/569725803.db2.gz ADMFIGQSUISEIG-VWLOTQADSA-N -1 3 466.628 5.500 50 0 JKAAHM Cc1cccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)c1 ZINC000035910498 569725835 /nfs/dbraw/zinc/72/58/35/569725835.db2.gz ADMFIGQSUISEIG-RUZDIDTESA-N -1 3 466.628 5.500 50 0 JKAAHM COc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000035910985 569726212 /nfs/dbraw/zinc/72/62/12/569726212.db2.gz YLQPCUMLSSRGFW-RUZDIDTESA-N -1 3 482.627 5.200 50 0 JKAAHM COc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000035912506 569727703 /nfs/dbraw/zinc/72/77/03/569727703.db2.gz WQWWILHGVXQXFW-VWLOTQADSA-N -1 3 482.627 5.200 50 0 JKAAHM CCc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000035912524 569727713 /nfs/dbraw/zinc/72/77/13/569727713.db2.gz SIHLACAQLWPEPE-AREMUKBSSA-N -1 3 480.655 5.754 50 0 JKAAHM O=c1nc(CN2CCN(c3cccc(Cl)c3)CC2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000095949723 569731368 /nfs/dbraw/zinc/73/13/68/569731368.db2.gz KHKOPEMNQLIHCR-UHFFFAOYSA-N -1 3 471.413 5.281 50 0 JKAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccccc2OCc2ccccc2)CCO1 ZINC000096118015 569735963 /nfs/dbraw/zinc/73/59/63/569735963.db2.gz ARLISIPPBWDTOG-MBSDFSHPSA-N -1 3 479.602 5.073 50 0 JKAAHM COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096118168 569736059 /nfs/dbraw/zinc/73/60/59/569736059.db2.gz SEXWTSNMPINUOU-KRWDZBQOSA-N -1 3 482.435 5.168 50 0 JKAAHM COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCC(C)C ZINC000096220904 569738603 /nfs/dbraw/zinc/73/86/03/569738603.db2.gz XGASXTSNAWSUFH-NRFANRHFSA-N -1 3 486.520 5.650 50 0 biogenic JKAAHM COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OC(C)C ZINC000096222336 569739450 /nfs/dbraw/zinc/73/94/50/569739450.db2.gz ALGPHAIKNIWTIU-FQEVSTJZSA-N -1 3 472.493 5.402 50 0 biogenic JKAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(NC(=O)/C=C\c3cccs3)c2)c1 ZINC000097990389 569748690 /nfs/dbraw/zinc/74/86/90/569748690.db2.gz UQMKOSYHGKHYPD-NTMALXAHSA-N -1 3 477.405 5.272 50 0 JKAAHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072990 569750279 /nfs/dbraw/zinc/75/02/79/569750279.db2.gz BPHDGBSHHSHANS-UHFFFAOYSA-N -1 3 493.526 5.685 50 0 JKAAHM CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000100577961 569765166 /nfs/dbraw/zinc/76/51/66/569765166.db2.gz FPAWZWCFCCVLGZ-VSKRKVRLSA-N -1 3 450.947 5.113 50 0 JKAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000100722311 569767925 /nfs/dbraw/zinc/76/79/25/569767925.db2.gz GXUHEPJLCPFTAK-YPAWHYETSA-N -1 3 469.324 5.053 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000100722295 569767975 /nfs/dbraw/zinc/76/79/75/569767975.db2.gz LFKSTPLPVXVNTB-QHAWAJNXSA-N -1 3 473.743 5.698 50 0 JKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101099371 569782606 /nfs/dbraw/zinc/78/26/06/569782606.db2.gz HRXCMALIDFAQLU-CYXNTTPDSA-N -1 3 490.531 5.064 50 0 JKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000101127258 569783819 /nfs/dbraw/zinc/78/38/19/569783819.db2.gz OTRMFXSWOBENJI-BDTNDASRSA-N -1 3 486.877 5.718 50 0 JKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101132383 569784063 /nfs/dbraw/zinc/78/40/63/569784063.db2.gz PCHRNFDRVIKOHO-VSKRKVRLSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000101157232 569784937 /nfs/dbraw/zinc/78/49/37/569784937.db2.gz ZJLRIAFKGZDUFS-SMIHKQSGSA-N -1 3 492.362 5.834 50 0 JKAAHM CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000101190052 569786577 /nfs/dbraw/zinc/78/65/77/569786577.db2.gz FPAWZWCFCCVLGZ-YPAWHYETSA-N -1 3 450.947 5.113 50 0 JKAAHM COc1ccc(-c2cc(-c3cc(Br)ccc3[O-])n([C@@H]3C(=O)Nc4ccccc43)n2)cc1 ZINC000101353545 569794107 /nfs/dbraw/zinc/79/41/07/569794107.db2.gz MOFYLRSMPBMVEZ-QHCPKHFHSA-N -1 3 476.330 5.235 50 0 JKAAHM CCN(CC)c1ccc2cc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@@H](C(C)(C)C)C5)c(=O)oc2c1 ZINC000101727661 569803472 /nfs/dbraw/zinc/80/34/72/569803472.db2.gz UXKMBKIDLJFZGK-MRXNPFEDSA-N -1 3 477.630 5.755 50 0 JKAAHM O=C([N-]c1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccc(Cl)cc1)=N2)c1ccco1 ZINC000101837349 569806215 /nfs/dbraw/zinc/80/62/15/569806215.db2.gz XDQPMHPHRRXKAI-QGZVFWFLSA-N -1 3 470.291 5.625 50 0 JKAAHM Cc1[nH]nc(-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000039354381 569809359 /nfs/dbraw/zinc/80/93/59/569809359.db2.gz FTJHJYUYRXGQAF-UHFFFAOYSA-N -1 3 489.019 5.612 50 0 JKAAHM COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)c([O-])c1 ZINC000039959719 569812524 /nfs/dbraw/zinc/81/25/24/569812524.db2.gz VOMBZDZOZNCTBI-FQEVSTJZSA-N -1 3 451.548 6.081 50 0 JKAAHM COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2)c([O-])c1 ZINC000039959720 569812591 /nfs/dbraw/zinc/81/25/91/569812591.db2.gz VOMBZDZOZNCTBI-HXUWFJFHSA-N -1 3 451.548 6.081 50 0 JKAAHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000039978264 569812732 /nfs/dbraw/zinc/81/27/32/569812732.db2.gz BMFHKNIACGNIGP-UHFFFAOYSA-N -1 3 496.470 6.004 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000102695048 569816054 /nfs/dbraw/zinc/81/60/54/569816054.db2.gz CIVBBXOPQCRVEW-PCCBWWKXSA-N -1 3 483.749 5.154 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000102705463 569816386 /nfs/dbraw/zinc/81/63/86/569816386.db2.gz JHWYEMZUASUQBO-PCCBWWKXSA-N -1 3 457.288 5.184 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706269 569816390 /nfs/dbraw/zinc/81/63/90/569816390.db2.gz IWVMXDZNASXNLL-CCDWMCETSA-N -1 3 489.358 6.198 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706950 569816690 /nfs/dbraw/zinc/81/66/90/569816690.db2.gz MSBVFUXMYIKKSU-SONWIMMPSA-N -1 3 489.358 6.198 50 0 JKAAHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c(C)c1 ZINC000102707708 569816843 /nfs/dbraw/zinc/81/68/43/569816843.db2.gz WHEUFGRVKOTSBF-RZDMPUFOSA-N -1 3 462.549 5.816 50 0 JKAAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102728236 569817918 /nfs/dbraw/zinc/81/79/18/569817918.db2.gz VQZSFLRIFPUOGK-MQSCRBSSSA-N -1 3 467.352 5.607 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102732027 569818281 /nfs/dbraw/zinc/81/82/81/569818281.db2.gz DXAKBAZQJKEEPE-PCCBWWKXSA-N -1 3 483.749 5.154 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102734043 569818439 /nfs/dbraw/zinc/81/84/39/569818439.db2.gz QUZFCEYKBMIPLK-BHIFYINESA-N -1 3 487.770 6.006 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000102732740 569818483 /nfs/dbraw/zinc/81/84/83/569818483.db2.gz GSCIUQJEBZPKDM-PWRODBHTSA-N -1 3 473.743 5.698 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000102734425 569818743 /nfs/dbraw/zinc/81/87/43/569818743.db2.gz AHVAHEGIIFNXEB-CCDWMCETSA-N -1 3 476.960 5.570 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102740521 569819141 /nfs/dbraw/zinc/81/91/41/569819141.db2.gz QUENEMRYTACVHE-ISJGIBHGSA-N -1 3 489.358 6.198 50 0 JKAAHM 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/nfs/dbraw/zinc/12/10/45/555121045.db2.gz GZCMALCBRHLRCX-UHFFFAOYSA-N -1 3 490.931 5.184 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000009379933 555141915 /nfs/dbraw/zinc/14/19/15/555141915.db2.gz DFOOCTZQRWWJOD-UBFVSLLYSA-N -1 3 454.913 5.544 50 0 JKAAHM C[C@H]1CCc2c(sc([N-]c3nc4c(cccc4F)s3)c2-c2nc3ccccc3s2)C1 ZINC000009381962 555145657 /nfs/dbraw/zinc/14/56/57/555145657.db2.gz ZHDGQFKRKFQDGR-LBPRGKRZSA-N -1 3 451.617 7.642 50 0 JKAAHM C[C@H]1CCc2c(sc([N-]c3nc4ccc(F)cc4s3)c2-c2nc3ccccc3s2)C1 ZINC000009381969 555145673 /nfs/dbraw/zinc/14/56/73/555145673.db2.gz YOXFXRWKPXLUAX-LBPRGKRZSA-N -1 3 451.617 7.642 50 0 JKAAHM COC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])cc1 ZINC000009409799 555175096 /nfs/dbraw/zinc/17/50/96/555175096.db2.gz KAEZAQAVBZXBJZ-UHFFFAOYSA-N -1 3 482.895 6.041 50 0 JKAAHM COc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3[O-])n[nH]c2C(F)(F)F)cc1OC ZINC000009409930 555175403 /nfs/dbraw/zinc/17/54/03/555175403.db2.gz DYOVIPFWWWRAQZ-UHFFFAOYSA-N -1 3 470.447 6.064 50 0 JKAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])c1 ZINC000009410098 555175844 /nfs/dbraw/zinc/17/58/44/555175844.db2.gz ZULXJBRSDPJFHY-UHFFFAOYSA-N -1 3 454.885 6.263 50 0 JKAAHM COc1ccc(-c2c(-c3ccc(OCc4ccc(C)cc4)cc3[O-])n[nH]c2C(F)(F)F)cc1OC ZINC000009410825 555177807 /nfs/dbraw/zinc/17/78/07/555177807.db2.gz JVUUYUAROSBTIR-UHFFFAOYSA-N -1 3 484.474 6.373 50 0 JKAAHM O=c1c2c[n-]nc2nc(SCc2ccc(C(F)(F)F)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000009434214 555205105 /nfs/dbraw/zinc/20/51/05/555205105.db2.gz LIIJGZZRNGHISU-UHFFFAOYSA-N -1 3 470.398 5.439 50 0 JKAAHM O=c1c2cn[n-]c2nc(SCc2ccc(C(F)(F)F)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000009434214 555205106 /nfs/dbraw/zinc/20/51/06/555205106.db2.gz LIIJGZZRNGHISU-UHFFFAOYSA-N -1 3 470.398 5.439 50 0 JKAAHM Cc1nc(-c2cccc(NC(=O)c3cc(S(=O)(=O)[N-]C4CC4)c(Cl)cc3Cl)c2)cs1 ZINC000009447108 555220108 /nfs/dbraw/zinc/22/01/08/555220108.db2.gz BBMABQUVTSZPON-UHFFFAOYSA-N -1 3 482.414 5.118 50 0 JKAAHM CC(=O)N(c1nc(CSc2nnc([N-]c3ccccc3F)s2)cs1)c1ccc(C)c(C)c1 ZINC000009462106 555230672 /nfs/dbraw/zinc/23/06/72/555230672.db2.gz FXXSJTLLSFGFHJ-UHFFFAOYSA-N -1 3 485.635 6.471 50 0 JKAAHM COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009493674 555276192 /nfs/dbraw/zinc/27/61/92/555276192.db2.gz HXOKQUAZHYPTSC-UHFFFAOYSA-N -1 3 499.898 5.812 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009494192 555277981 /nfs/dbraw/zinc/27/79/81/555277981.db2.gz KYXAUXUHBJOPDD-UHFFFAOYSA-N -1 3 462.881 5.824 50 0 JKAAHM COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c1 ZINC000009494382 555278493 /nfs/dbraw/zinc/27/84/93/555278493.db2.gz RIDDLOIJUNXZKV-FQEVSTJZSA-N -1 3 465.550 5.145 50 0 JKAAHM O=c1c2c[n-]nc2nc(SCc2ccccc2Cl)n1-c1ccc(Oc2ccccc2)cc1 ZINC000009495612 555280249 /nfs/dbraw/zinc/28/02/49/555280249.db2.gz OPKGHAVSBFZJNQ-UHFFFAOYSA-N -1 3 460.946 5.847 50 0 JKAAHM O=c1c2cn[n-]c2nc(SCc2ccccc2Cl)n1-c1ccc(Oc2ccccc2)cc1 ZINC000009495612 555280250 /nfs/dbraw/zinc/28/02/50/555280250.db2.gz OPKGHAVSBFZJNQ-UHFFFAOYSA-N -1 3 460.946 5.847 50 0 JKAAHM CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000009504052 555289285 /nfs/dbraw/zinc/28/92/85/555289285.db2.gz NCKFTWWKBHBQIJ-UHFFFAOYSA-N -1 3 477.373 5.012 50 0 JKAAHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1Cl ZINC000009507171 555291042 /nfs/dbraw/zinc/29/10/42/555291042.db2.gz KZORDUFVSKIHQG-UHFFFAOYSA-N -1 3 451.331 5.055 50 0 JKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000009518373 555313174 /nfs/dbraw/zinc/31/31/74/555313174.db2.gz SGGNFBZHCRBYGD-UHFFFAOYSA-N -1 3 480.398 6.582 50 0 JKAAHM COc1ccc(OC)c(CNCc2c3ccccc3n(Cc3ccc(Cl)cc3)c2C(=O)[O-])c1 ZINC000009531386 555326373 /nfs/dbraw/zinc/32/63/73/555326373.db2.gz YSRNPMJZKUIRNI-UHFFFAOYSA-N -1 3 464.949 5.348 50 0 JKAAHM CSc1ccc(CNCc2c3ccccc3n(Cc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009531382 555326419 /nfs/dbraw/zinc/32/64/19/555326419.db2.gz HNABXEPFLMUOJG-UHFFFAOYSA-N -1 3 450.991 6.053 50 0 JKAAHM COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2CNCc1cc(OC)ccc1OC ZINC000009531832 555326791 /nfs/dbraw/zinc/32/67/91/555326791.db2.gz BBXWMQKKSTVZDU-UHFFFAOYSA-N -1 3 474.557 5.012 50 0 JKAAHM COc1ccc2c(CNCc3ccc(F)cc3)c(C(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c1 ZINC000009532180 555326963 /nfs/dbraw/zinc/32/69/63/555326963.db2.gz LJTLWYBNRJNJEC-UHFFFAOYSA-N -1 3 470.903 5.618 50 0 JKAAHM COc1ccc(CNCc2c3ccc(OC)cc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])cc1 ZINC000009532124 555327022 /nfs/dbraw/zinc/32/70/22/555327022.db2.gz PCCKRGZGNICQAJ-UHFFFAOYSA-N -1 3 482.939 5.487 50 0 JKAAHM COc1ccc(Cn2c3cc(OC)ccc3c(CNCc3ccc(OC(C)C)cc3)c2C(=O)[O-])cc1 ZINC000009532342 555327222 /nfs/dbraw/zinc/32/72/22/555327222.db2.gz XOSHSMMEIGJSFF-UHFFFAOYSA-N -1 3 488.584 5.482 50 0 JKAAHM CCOc1ccccc1CNCc1c2ccc(OC)cc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000009532548 555327456 /nfs/dbraw/zinc/32/74/56/555327456.db2.gz NUKLRDMONZCNCI-UHFFFAOYSA-N -1 3 462.521 5.224 50 0 JKAAHM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000009540454 555333248 /nfs/dbraw/zinc/33/32/48/555333248.db2.gz WDXGZJOKBVGAJA-UHFFFAOYSA-N -1 3 452.429 5.206 50 0 JKAAHM O=c1nc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)[n-]c2scc(-c3ccccc3)c21 ZINC000009633974 555338281 /nfs/dbraw/zinc/33/82/81/555338281.db2.gz GLBOMFXUKKOGKU-UHFFFAOYSA-N -1 3 494.601 5.643 50 0 JKAAHM COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009545764 555339042 /nfs/dbraw/zinc/33/90/42/555339042.db2.gz BVIDOMYUFZIVJD-UHFFFAOYSA-N -1 3 484.883 5.421 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013145424 555342266 /nfs/dbraw/zinc/34/22/66/555342266.db2.gz CBJIGNHRZKYKCT-UHFFFAOYSA-N -1 3 498.992 6.036 50 0 JKAAHM C[C@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000009635331 555342558 /nfs/dbraw/zinc/34/25/58/555342558.db2.gz VOXCFGGZLCASKA-KRWDZBQOSA-N -1 3 463.534 5.219 50 0 JKAAHM CC(C)c1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000009559554 555355000 /nfs/dbraw/zinc/35/50/00/555355000.db2.gz YZDGFZRMNKTSIZ-UHFFFAOYSA-N -1 3 499.496 5.357 50 0 JKAAHM Cc1sc2nc(-c3cccc(NC(=O)CN4CCC[C@H]4c4cccs4)c3)[n-]c(=O)c2c1C ZINC000009645041 555357722 /nfs/dbraw/zinc/35/77/22/555357722.db2.gz MKXNCQIDMWFGLA-SFHVURJKSA-N -1 3 464.616 5.106 50 0 JKAAHM Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009662530 555368758 /nfs/dbraw/zinc/36/87/58/555368758.db2.gz BOEHZYDPIZPUSW-UHFFFAOYSA-N -1 3 462.980 5.112 50 0 JKAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)n1 ZINC000009572528 555369388 /nfs/dbraw/zinc/36/93/88/555369388.db2.gz AXXDOPAPHYMEFR-UHFFFAOYSA-N -1 3 487.629 5.427 50 0 JKAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)n1 ZINC000009572553 555369623 /nfs/dbraw/zinc/36/96/23/555369623.db2.gz KQZZCWHFDOHIEW-UHFFFAOYSA-N -1 3 453.612 5.101 50 0 JKAAHM COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000009579507 555383390 /nfs/dbraw/zinc/38/33/90/555383390.db2.gz OXAKDNOJXJXOCQ-UHFFFAOYSA-N -1 3 481.357 5.064 50 0 JKAAHM O=c1[n-]c(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)nc2c3ccccc3oc21 ZINC000009588791 555401574 /nfs/dbraw/zinc/40/15/74/555401574.db2.gz GNJWQXCQLRYVNT-UHFFFAOYSA-N -1 3 485.956 5.863 50 0 JKAAHM COc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678967 555403026 /nfs/dbraw/zinc/40/30/26/555403026.db2.gz SBOKQUFRTHFFNW-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678967 555403029 /nfs/dbraw/zinc/40/30/29/555403029.db2.gz SBOKQUFRTHFFNW-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000009679019 555403405 /nfs/dbraw/zinc/40/34/05/555403405.db2.gz IVRHBFBOQZIJDE-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000009679019 555403409 /nfs/dbraw/zinc/40/34/09/555403409.db2.gz IVRHBFBOQZIJDE-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM COc1ccc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678968 555403485 /nfs/dbraw/zinc/40/34/85/555403485.db2.gz SBOKQUFRTHFFNW-QHCPKHFHSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678968 555403486 /nfs/dbraw/zinc/40/34/86/555403486.db2.gz SBOKQUFRTHFFNW-QHCPKHFHSA-N -1 3 494.776 6.251 50 0 JKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679016 555403500 /nfs/dbraw/zinc/40/35/00/555403500.db2.gz BIXVAABWEYADOU-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679016 555403502 /nfs/dbraw/zinc/40/35/02/555403502.db2.gz BIXVAABWEYADOU-QHCPKHFHSA-N -1 3 478.777 6.551 50 0 JKAAHM COC(=O)c1ccc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009679017 555403508 /nfs/dbraw/zinc/40/35/08/555403508.db2.gz SDYJDNQXYPOMMZ-XMMPIXPASA-N -1 3 457.917 5.575 50 0 JKAAHM COC(=O)c1ccc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009679017 555403511 /nfs/dbraw/zinc/40/35/11/555403511.db2.gz SDYJDNQXYPOMMZ-XMMPIXPASA-N -1 3 457.917 5.575 50 0 JKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679015 555403545 /nfs/dbraw/zinc/40/35/45/555403545.db2.gz BIXVAABWEYADOU-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679015 555403547 /nfs/dbraw/zinc/40/35/47/555403547.db2.gz BIXVAABWEYADOU-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM CCc1ccc([C@@H]2c3c(-c4ccc(OC)cc4)n[n-]c3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679049 555403730 /nfs/dbraw/zinc/40/37/30/555403730.db2.gz OZDYWEQDLOAVFY-RUZDIDTESA-N -1 3 488.385 6.160 50 0 JKAAHM CCc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(OC)cc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679049 555403735 /nfs/dbraw/zinc/40/37/35/555403735.db2.gz OZDYWEQDLOAVFY-RUZDIDTESA-N -1 3 488.385 6.160 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2cccc(O)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679075 555403957 /nfs/dbraw/zinc/40/39/57/555403957.db2.gz NUQCQGVVCONSSV-QHCPKHFHSA-N -1 3 476.330 5.303 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2cccc(O)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679075 555403959 /nfs/dbraw/zinc/40/39/59/555403959.db2.gz NUQCQGVVCONSSV-QHCPKHFHSA-N -1 3 476.330 5.303 50 0 JKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679044 555403987 /nfs/dbraw/zinc/40/39/87/555403987.db2.gz XACYRCVEHNAHAW-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679044 555403990 /nfs/dbraw/zinc/40/39/90/555403990.db2.gz XACYRCVEHNAHAW-HSZRJFAPSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679154 555404147 /nfs/dbraw/zinc/40/41/47/555404147.db2.gz SCXAFGCIUSJFSA-VWLOTQADSA-N -1 3 459.933 5.806 50 0 JKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679154 555404148 /nfs/dbraw/zinc/40/41/48/555404148.db2.gz SCXAFGCIUSJFSA-VWLOTQADSA-N -1 3 459.933 5.806 50 0 JKAAHM COC(=O)c1ccc([C@@H]2c3c([n-]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679148 555404244 /nfs/dbraw/zinc/40/42/44/555404244.db2.gz XTXWKXXJXLVBNG-XMMPIXPASA-N -1 3 457.917 5.575 50 0 JKAAHM COC(=O)c1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679148 555404247 /nfs/dbraw/zinc/40/42/47/555404247.db2.gz XTXWKXXJXLVBNG-XMMPIXPASA-N -1 3 457.917 5.575 50 0 JKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000009679146 555404305 /nfs/dbraw/zinc/40/43/05/555404305.db2.gz GRPDJQUVWBFAJN-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000009679146 555404307 /nfs/dbraw/zinc/40/43/07/555404307.db2.gz GRPDJQUVWBFAJN-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000009679213 555404710 /nfs/dbraw/zinc/40/47/10/555404710.db2.gz GTXKXZCVODMRCV-VWLOTQADSA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000009679213 555404713 /nfs/dbraw/zinc/40/47/13/555404713.db2.gz GTXKXZCVODMRCV-VWLOTQADSA-N -1 3 453.498 5.012 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679178 555404922 /nfs/dbraw/zinc/40/49/22/555404922.db2.gz XWHNCELRFXRXOW-QHCPKHFHSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679178 555404924 /nfs/dbraw/zinc/40/49/24/555404924.db2.gz XWHNCELRFXRXOW-QHCPKHFHSA-N -1 3 462.322 6.037 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009679306 555405232 /nfs/dbraw/zinc/40/52/32/555405232.db2.gz KIOFNWXXMVGFFB-RUZDIDTESA-N -1 3 453.498 5.017 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009679306 555405234 /nfs/dbraw/zinc/40/52/34/555405234.db2.gz KIOFNWXXMVGFFB-RUZDIDTESA-N -1 3 453.498 5.017 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679289 555405275 /nfs/dbraw/zinc/40/52/75/555405275.db2.gz UETVNOVVXCVGFO-SANMLTNESA-N -1 3 483.524 5.026 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679289 555405276 /nfs/dbraw/zinc/40/52/76/555405276.db2.gz UETVNOVVXCVGFO-SANMLTNESA-N -1 3 483.524 5.026 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000009679317 555405746 /nfs/dbraw/zinc/40/57/46/555405746.db2.gz FTMUXUKUHSLWHN-VWLOTQADSA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000009679317 555405748 /nfs/dbraw/zinc/40/57/48/555405748.db2.gz FTMUXUKUHSLWHN-VWLOTQADSA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679332 555405833 /nfs/dbraw/zinc/40/58/33/555405833.db2.gz PHZLFXGVWPUQEO-VWLOTQADSA-N -1 3 487.943 5.665 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679332 555405835 /nfs/dbraw/zinc/40/58/35/555405835.db2.gz PHZLFXGVWPUQEO-VWLOTQADSA-N -1 3 487.943 5.665 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000009679369 555405842 /nfs/dbraw/zinc/40/58/42/555405842.db2.gz NPCSICINJUQWDE-QHCPKHFHSA-N -1 3 459.527 5.073 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000009679369 555405843 /nfs/dbraw/zinc/40/58/43/555405843.db2.gz NPCSICINJUQWDE-QHCPKHFHSA-N -1 3 459.527 5.073 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009679342 555405885 /nfs/dbraw/zinc/40/58/85/555405885.db2.gz AFCCUDULSMXHLV-MHZLTWQESA-N -1 3 481.552 5.574 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009679342 555405888 /nfs/dbraw/zinc/40/58/88/555405888.db2.gz AFCCUDULSMXHLV-MHZLTWQESA-N -1 3 481.552 5.574 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009679321 555405931 /nfs/dbraw/zinc/40/59/31/555405931.db2.gz DCXYXJUIXWZRGF-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009679321 555405934 /nfs/dbraw/zinc/40/59/34/555405934.db2.gz DCXYXJUIXWZRGF-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679366 555405952 /nfs/dbraw/zinc/40/59/52/555405952.db2.gz MQGVMARAYKSWHR-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679366 555405956 /nfs/dbraw/zinc/40/59/56/555405956.db2.gz MQGVMARAYKSWHR-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009679381 555405992 /nfs/dbraw/zinc/40/59/92/555405992.db2.gz RTCPRYNBARIJJY-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009679381 555405995 /nfs/dbraw/zinc/40/59/95/555405995.db2.gz RTCPRYNBARIJJY-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009679398 555406412 /nfs/dbraw/zinc/40/64/12/555406412.db2.gz ICYFZEVGWSNZGY-MHZLTWQESA-N -1 3 481.552 5.710 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009679398 555406414 /nfs/dbraw/zinc/40/64/14/555406414.db2.gz ICYFZEVGWSNZGY-MHZLTWQESA-N -1 3 481.552 5.710 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679417 555406461 /nfs/dbraw/zinc/40/64/61/555406461.db2.gz VUAQWXNEXOXEKM-SANMLTNESA-N -1 3 485.515 5.541 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679417 555406464 /nfs/dbraw/zinc/40/64/64/555406464.db2.gz VUAQWXNEXOXEKM-SANMLTNESA-N -1 3 485.515 5.541 50 0 JKAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(N3CCC(C)CC3)cc1)[nH]c1c2C(=O)CCC1 ZINC000009685738 555414585 /nfs/dbraw/zinc/41/45/85/555414585.db2.gz NZFVAQAHJWAYLY-UHFFFAOYSA-N -1 3 451.592 5.032 50 0 JKAAHM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(-c2ccccc2[O-])on1 ZINC000009597903 555415443 /nfs/dbraw/zinc/41/54/43/555415443.db2.gz WWQFWAOKXVNDTQ-UHFFFAOYSA-N -1 3 457.317 5.468 50 0 JKAAHM CCCCSc1nnc2c(n1)O[C@@H](c1cc(Br)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000009600926 555424677 /nfs/dbraw/zinc/42/46/77/555424677.db2.gz NWTADKNGVJAMHQ-IBGZPJMESA-N -1 3 489.395 5.411 50 0 JKAAHM CCCCSc1nnc2c(n1)OC(=C([O-])c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000009601907 555427528 /nfs/dbraw/zinc/42/75/28/555427528.db2.gz JCCJIPROYMOUPF-HXUWFJFHSA-N -1 3 471.380 5.207 50 0 JKAAHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009714435 555443509 /nfs/dbraw/zinc/44/35/09/555443509.db2.gz ZZDOTTZVFSIBFL-UHFFFAOYSA-N -1 3 480.561 5.107 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c(C)onc3-c3ccccc3)ccc2C)cc1 ZINC000009715713 555448189 /nfs/dbraw/zinc/44/81/89/555448189.db2.gz BCOMUKMGEHHGNP-UHFFFAOYSA-N -1 3 477.542 5.020 50 0 JKAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000013526696 555487468 /nfs/dbraw/zinc/48/74/68/555487468.db2.gz CRDTWPKHJDTXSV-UHFFFAOYSA-N -1 3 462.958 6.060 50 0 JKAAHM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(-c3ccc(OC)cc3[O-])cs2)cc1 ZINC000019851161 555511208 /nfs/dbraw/zinc/51/12/08/555511208.db2.gz KWLXIPNNPXYEEA-XMMPIXPASA-N -1 3 457.555 5.889 50 0 JKAAHM CCOC(=O)c1sc(N2C(=O)C([O-])=C(c3nc4ccccc4s3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000019902197 555535784 /nfs/dbraw/zinc/53/57/84/555535784.db2.gz YLRLMXYSXKSMEA-SFHVURJKSA-N -1 3 493.566 5.001 50 0 JKAAHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]C(=O)c1sc2sccc2c1Cl ZINC000009836361 555541688 /nfs/dbraw/zinc/54/16/88/555541688.db2.gz SDOJZDPPPKEDRX-UHFFFAOYSA-N -1 3 485.052 5.442 50 0 JKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013642931 555548144 /nfs/dbraw/zinc/54/81/44/555548144.db2.gz UGWSTWHZTITAFV-QGZVFWFLSA-N -1 3 458.387 5.089 50 0 JKAAHM COc1cccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@@]([O-])(C(F)(F)F)C2)c1 ZINC000013642983 555548385 /nfs/dbraw/zinc/54/83/85/555548385.db2.gz BOHGHZXAKPODDK-SFHVURJKSA-N -1 3 488.413 5.098 50 0 JKAAHM Cc1ccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@@]([O-])(C(F)(F)F)C2)cc1C ZINC000013643013 555548408 /nfs/dbraw/zinc/54/84/08/555548408.db2.gz LGQOFBJYRKQKIT-IBGZPJMESA-N -1 3 486.441 5.706 50 0 JKAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000009962145 555565457 /nfs/dbraw/zinc/56/54/57/555565457.db2.gz MHVYLIMBUFWDOX-UHFFFAOYSA-N -1 3 495.988 5.771 50 0 JKAAHM Cc1ccc(OC(=O)CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1 ZINC000010007605 555591532 /nfs/dbraw/zinc/59/15/32/555591532.db2.gz WJASKWMJMODOBL-UHFFFAOYSA-N -1 3 480.586 5.045 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000013748275 555607909 /nfs/dbraw/zinc/60/79/09/555607909.db2.gz DXAKBAZQJKEEPE-QHAWAJNXSA-N -1 3 483.749 5.154 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000013749617 555608464 /nfs/dbraw/zinc/60/84/64/555608464.db2.gz BPYRSUOIWUFAKD-SFHLNBCPSA-N -1 3 473.743 5.698 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013759169 555612244 /nfs/dbraw/zinc/61/22/44/555612244.db2.gz QUENEMRYTACVHE-DSNGMDLFSA-N -1 3 489.358 6.198 50 0 JKAAHM COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c32)cc1 ZINC000013786856 555619387 /nfs/dbraw/zinc/61/93/87/555619387.db2.gz AJJKZYIALGDQOH-DEOSSOPVSA-N -1 3 488.503 5.650 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000013810981 555626498 /nfs/dbraw/zinc/62/64/98/555626498.db2.gz IDXWPVHIESARKE-NJDAHSKKSA-N -1 3 472.850 5.410 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(C(F)(F)F)c1 ZINC000013810982 555626518 /nfs/dbraw/zinc/62/65/18/555626518.db2.gz IDXWPVHIESARKE-QHAWAJNXSA-N -1 3 472.850 5.410 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1c(F)cccc1Cl ZINC000013811371 555627751 /nfs/dbraw/zinc/62/77/51/555627751.db2.gz KZPNSPAEJZSXQI-QHAWAJNXSA-N -1 3 490.840 5.549 50 0 JKAAHM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000013847450 555634047 /nfs/dbraw/zinc/63/40/47/555634047.db2.gz GAQMOACDRCLKGN-UHFFFAOYSA-N -1 3 481.426 6.159 50 0 JKAAHM COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)c1 ZINC000013936297 555648902 /nfs/dbraw/zinc/64/89/02/555648902.db2.gz GNULTWKGNSUNNQ-UHFFFAOYSA-N -1 3 455.605 5.230 50 0 JKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000013936316 555648992 /nfs/dbraw/zinc/64/89/92/555648992.db2.gz UIBWQBHRKPAPCD-UHFFFAOYSA-N -1 3 453.633 5.838 50 0 JKAAHM CC[C@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000013936228 555649002 /nfs/dbraw/zinc/64/90/02/555649002.db2.gz DXTVEUXXVCTQKR-KRWDZBQOSA-N -1 3 453.633 6.118 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000013936392 555649218 /nfs/dbraw/zinc/64/92/18/555649218.db2.gz ZDIWFWHYXZFFLO-UHFFFAOYSA-N -1 3 461.996 5.267 50 0 JKAAHM O=C(Nc1cccc2cccnc21)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000014076275 555680180 /nfs/dbraw/zinc/68/01/80/555680180.db2.gz AYXOBZWBUSJNJU-UHFFFAOYSA-N -1 3 455.898 5.080 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000010316252 555682617 /nfs/dbraw/zinc/68/26/17/555682617.db2.gz VSUXLSCCRFNNMS-MRXNPFEDSA-N -1 3 485.591 5.545 50 0 JKAAHM Cc1ccc(C)c(NC(=O)[C@@H](Sc2n[n-]c(COc3ccccc3C)n2)c2ccccc2)c1 ZINC000014115649 555692084 /nfs/dbraw/zinc/69/20/84/555692084.db2.gz GNIOUSTYCLWHOJ-DEOSSOPVSA-N -1 3 458.587 5.781 50 0 JKAAHM O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[n-]c2scc(-c3ccccc3)c21 ZINC000014129089 555698477 /nfs/dbraw/zinc/69/84/77/555698477.db2.gz BUBSQVOIBIHCNK-HXUWFJFHSA-N -1 3 459.571 5.150 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]CCSCc2ccc(Cl)c(Cl)c2)c(Cl)c1Cl ZINC000014186295 555727629 /nfs/dbraw/zinc/72/76/29/555727629.db2.gz ULVIANYLSJKBDV-UHFFFAOYSA-N -1 3 475.246 5.521 50 0 JKAAHM C[C@@H](CNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccccc1 ZINC000014244492 555746121 /nfs/dbraw/zinc/74/61/21/555746121.db2.gz CFCKLCBZDBZMBV-DLBZAZTESA-N -1 3 463.628 5.193 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000011666663 555797162 /nfs/dbraw/zinc/79/71/62/555797162.db2.gz YZAWMMKIZCUHBP-NJDAHSKKSA-N -1 3 490.840 5.549 50 0 JKAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc32)N1 ZINC000020569219 555822905 /nfs/dbraw/zinc/82/29/05/555822905.db2.gz QOCUMXLNBUPCPF-HSZRJFAPSA-N -1 3 457.452 5.162 50 0 JKAAHM Cc1ccc(Nc2cc(Nc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)nc(C)n2)cc1 ZINC000021794943 555856464 /nfs/dbraw/zinc/85/64/64/555856464.db2.gz AJKXQZODDGCWRS-UHFFFAOYSA-N -1 3 463.538 5.521 50 0 JKAAHM COc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc(I)c1[O-] ZINC000015016635 555857835 /nfs/dbraw/zinc/85/78/35/555857835.db2.gz WHRZEYGKKCFLKV-UHFFFAOYSA-N -1 3 494.332 6.148 50 0 JKAAHM CCOc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Br)c1[O-] ZINC000015016740 555858008 /nfs/dbraw/zinc/85/80/08/555858008.db2.gz RUIRUFQHFFBDGE-VGOFRKELSA-N -1 3 471.376 5.857 50 0 JKAAHM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12 ZINC000022031287 555864848 /nfs/dbraw/zinc/86/48/48/555864848.db2.gz WBLWTUCPLYXVAV-RUZDIDTESA-N -1 3 499.615 5.132 50 0 JKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 ZINC000011914765 555865581 /nfs/dbraw/zinc/86/55/81/555865581.db2.gz YLXIODPBHVUIRV-INIZCTEOSA-N -1 3 488.565 6.131 50 0 JKAAHM O=C(/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)NCCCOC1CCCCC1 ZINC000015177261 555882151 /nfs/dbraw/zinc/88/21/51/555882151.db2.gz PKHPXFCYKWBACE-DTQAZKPQSA-N -1 3 477.026 5.010 50 0 JKAAHM [O-]c1c(C(c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc(Cl)c2cccnc12 ZINC000012040361 555892933 /nfs/dbraw/zinc/89/29/33/555892933.db2.gz OFMDXLRRSCLPJE-UHFFFAOYSA-N -1 3 481.766 7.335 50 0 JKAAHM COC(=O)c1c([N-]C(=O)c2nc(SCc3ccccc3C)ncc2Cl)sc2c1CCC2 ZINC000012062653 555900207 /nfs/dbraw/zinc/90/02/07/555900207.db2.gz AXWOBEVJCTYCST-UHFFFAOYSA-N -1 3 474.007 5.320 50 0 JKAAHM C[C@H](SCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1)C(=O)NCc1ccccc1Cl ZINC000015494386 555911058 /nfs/dbraw/zinc/91/10/58/555911058.db2.gz MIJBMESKQIBZAZ-ZDUSSCGKSA-N -1 3 488.009 5.382 50 0 JKAAHM O=c1nc(CN2CCc3sccc3[C@H]2c2cccs2)[n-]c2sc(-c3ccccc3)cc21 ZINC000015548802 555915182 /nfs/dbraw/zinc/91/51/82/555915182.db2.gz QSXDQOYGHCYHBH-QFIPXVFZSA-N -1 3 461.637 5.922 50 0 JKAAHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)c(Cl)cc1Cl ZINC000015595014 555917782 /nfs/dbraw/zinc/91/77/82/555917782.db2.gz KHACCHBWEIWDPZ-NSHDSACASA-N -1 3 470.378 5.162 50 0 JKAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015600505 555918089 /nfs/dbraw/zinc/91/80/89/555918089.db2.gz PDXJOQOVSYQJMH-OAQYLSRUSA-N -1 3 481.574 5.214 50 0 JKAAHM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000022744107 555950469 /nfs/dbraw/zinc/95/04/69/555950469.db2.gz UFSUUVPBWKEHNP-UHFFFAOYSA-N -1 3 482.562 5.014 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012322292 555952526 /nfs/dbraw/zinc/95/25/26/555952526.db2.gz INUNAVLYGJGSLG-AREMUKBSSA-N -1 3 475.976 5.348 50 0 JKAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2ccc(C(C)(C)C)cc2)S1 ZINC000015832968 556018363 /nfs/dbraw/zinc/01/83/63/556018363.db2.gz JGNGWEDZAPHFKL-QFIPXVFZSA-N -1 3 490.025 5.096 50 0 JKAAHM CCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1OCC ZINC000012546639 556022876 /nfs/dbraw/zinc/02/28/76/556022876.db2.gz UGTIYQPSDVSNTK-UHFFFAOYSA-N -1 3 496.629 5.852 50 0 JKAAHM O=C([N-]c1c2ccccc2oc1[C@@H](c1ccc(Br)cc1)N1CCOCC1)c1ccco1 ZINC000015859343 556029396 /nfs/dbraw/zinc/02/93/96/556029396.db2.gz MSNQJUACRCTXCD-JOCHJYFZSA-N -1 3 481.346 5.462 50 0 JKAAHM Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nc(-c2ccc(I)o2)ns1 ZINC000015859967 556031348 /nfs/dbraw/zinc/03/13/48/556031348.db2.gz OLGZDMBHJNHCBB-UHFFFAOYSA-N -1 3 465.272 5.018 50 0 JKAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc4ncccc43)c2)c1 ZINC000012553414 556037198 /nfs/dbraw/zinc/03/71/98/556037198.db2.gz GGMVACKHXMBJQS-UHFFFAOYSA-N -1 3 496.386 5.359 50 0 JKAAHM Cc1ccc2[nH]c(CCc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)nc2c1 ZINC000015870687 556050507 /nfs/dbraw/zinc/05/05/07/556050507.db2.gz KZFVGTYGFKWBAM-UHFFFAOYSA-N -1 3 470.392 5.220 50 0 JKAAHM Cc1ccc2nc(CCc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)[nH]c2c1 ZINC000015870687 556050509 /nfs/dbraw/zinc/05/05/09/556050509.db2.gz KZFVGTYGFKWBAM-UHFFFAOYSA-N -1 3 470.392 5.220 50 0 JKAAHM CCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000015870606 556050580 /nfs/dbraw/zinc/05/05/80/556050580.db2.gz KOYKACINNZHLCM-UHFFFAOYSA-N -1 3 461.631 5.841 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c(C)c1 ZINC000015870795 556050920 /nfs/dbraw/zinc/05/09/20/556050920.db2.gz STUPMNWDJMIJCX-UHFFFAOYSA-N -1 3 495.648 6.537 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1C ZINC000015870827 556051388 /nfs/dbraw/zinc/05/13/88/556051388.db2.gz XAHPQHCXODQXPZ-UHFFFAOYSA-N -1 3 495.648 6.537 50 0 JKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)c1ccc(F)cc1 ZINC000012565363 556062067 /nfs/dbraw/zinc/06/20/67/556062067.db2.gz PSOJQBPNZOAXIT-UHFFFAOYSA-N -1 3 473.957 5.132 50 0 JKAAHM Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000015913204 556066070 /nfs/dbraw/zinc/06/60/70/556066070.db2.gz VGPCBFFTXGPUBU-UHFFFAOYSA-N -1 3 458.967 5.084 50 0 JKAAHM CC(C)c1ccc(NC(=O)CS[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000012568583 556069283 /nfs/dbraw/zinc/06/92/83/556069283.db2.gz KCIAUDGCAZNXOT-MRXNPFEDSA-N -1 3 463.628 6.208 50 0 JKAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc(Br)c1[O-] ZINC000015945205 556081237 /nfs/dbraw/zinc/08/12/37/556081237.db2.gz BMWJIDAHKGSXQH-HXPMCKFVSA-N -1 3 479.440 5.620 50 0 JKAAHM CCOC(=O)c1sc2nc(C)cc(C)c2c1[N-]C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000012584341 556081908 /nfs/dbraw/zinc/08/19/08/556081908.db2.gz OUWDMUJQWIRZSJ-UHFFFAOYSA-N -1 3 490.610 6.051 50 0 JKAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc(Br)c1[O-] ZINC000015946193 556082620 /nfs/dbraw/zinc/08/26/20/556082620.db2.gz GFPKVSVRLATBOH-ZUOKHONESA-N -1 3 493.467 6.585 50 0 JKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(I)c1[O-] ZINC000015947485 556085542 /nfs/dbraw/zinc/08/55/42/556085542.db2.gz LHZPLGBKGLLTJM-XYZCENFISA-N -1 3 484.359 5.011 50 0 JKAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2)c1 ZINC000012631233 556093670 /nfs/dbraw/zinc/09/36/70/556093670.db2.gz WTQLKSCMTAVJPW-RUZDIDTESA-N -1 3 498.048 5.016 50 0 JKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCOc3ccccc3C)ccc2C)c(C)c1 ZINC000015979084 556098469 /nfs/dbraw/zinc/09/84/69/556098469.db2.gz DUCPJJATRIAYRL-UHFFFAOYSA-N -1 3 452.576 5.129 50 0 JKAAHM CN(C)Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c(Cl)cc2Cl)cc1 ZINC000023899203 556099306 /nfs/dbraw/zinc/09/93/06/556099306.db2.gz OXBJHAWJDQLZOC-UHFFFAOYSA-N -1 3 496.391 5.247 50 0 JKAAHM C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)c1ccccc1Br ZINC000012739641 556107588 /nfs/dbraw/zinc/10/75/88/556107588.db2.gz JKPNYXTURCRJJP-GFCCVEGCSA-N -1 3 474.811 5.918 50 0 JKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000016007271 556107997 /nfs/dbraw/zinc/10/79/97/556107997.db2.gz UOCPEYAAYOJILM-XVOBZGQLSA-N -1 3 486.930 5.041 50 0 JKAAHM Cc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000012843212 556116851 /nfs/dbraw/zinc/11/68/51/556116851.db2.gz NYRDAWFSSZRSGL-UHFFFAOYSA-N -1 3 498.427 5.867 50 0 JKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000016038976 556120867 /nfs/dbraw/zinc/12/08/67/556120867.db2.gz MJIMMXRDPQQIMF-HNFJUSDZSA-N -1 3 482.605 5.337 50 0 JKAAHM COc1ccc(OC)c([C@@H](C)NCc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)c1 ZINC000012907762 556126913 /nfs/dbraw/zinc/12/69/13/556126913.db2.gz DEXQIASHXPGMTB-CYBMUJFWSA-N -1 3 455.967 5.173 50 0 JKAAHM CCCN(Cc1ccccc1)C(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000024325246 556129270 /nfs/dbraw/zinc/12/92/70/556129270.db2.gz FREFNCYQCHXJGN-SFHVURJKSA-N -1 3 477.655 5.712 50 0 JKAAHM C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012930634 556147536 /nfs/dbraw/zinc/14/75/36/556147536.db2.gz PDUIJHSTNGZZNB-OAHLLOKOSA-N -1 3 464.616 5.125 50 0 JKAAHM C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012930640 556147641 /nfs/dbraw/zinc/14/76/41/556147641.db2.gz PDUIJHSTNGZZNB-HNNXBMFYSA-N -1 3 464.616 5.125 50 0 JKAAHM Cc1sc2[n-]c(CN[C@H](C)c3ccc(Cl)cc3Cl)nc(=O)c2c1-c1ccc(C)cc1 ZINC000016634315 556148590 /nfs/dbraw/zinc/14/85/90/556148590.db2.gz BYYIFCRPFBJZJS-CYBMUJFWSA-N -1 3 458.414 6.426 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2sc3ccccc3c2Cl)sc2c1CCC[S@]2=O ZINC000024991526 556170932 /nfs/dbraw/zinc/17/09/32/556170932.db2.gz ZXQMKLWDYCGNAS-NDEPHWFRSA-N -1 3 453.994 5.099 50 0 JKAAHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012985417 556178959 /nfs/dbraw/zinc/17/89/59/556178959.db2.gz MMKSKQAIEMBRJX-UHFFFAOYSA-N -1 3 473.385 5.029 50 0 JKAAHM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000025092724 556179136 /nfs/dbraw/zinc/17/91/36/556179136.db2.gz HCAPRDIEJFNFOJ-GFCCVEGCSA-N -1 3 469.975 6.547 50 0 JKAAHM CC(C)(C)c1cc(Sc2[n-]c(F)c(N3CCNCC3)c(=O)c2F)cc(C(C)(C)C)c1F ZINC000025175977 556202645 /nfs/dbraw/zinc/20/26/45/556202645.db2.gz NGLYMQGSQQEQOK-UHFFFAOYSA-N -1 3 453.574 5.360 50 0 JKAAHM O=C(Cc1c(F)cccc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000013010958 556203281 /nfs/dbraw/zinc/20/32/81/556203281.db2.gz UTGFPDCIQBMCLH-UHFFFAOYSA-N -1 3 453.322 5.115 50 0 JKAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000017013866 556203898 /nfs/dbraw/zinc/20/38/98/556203898.db2.gz PPSWMRFYGVAPAJ-UHFFFAOYSA-N -1 3 459.575 5.083 50 0 JKAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)n1 ZINC000017013850 556203931 /nfs/dbraw/zinc/20/39/31/556203931.db2.gz BUYXRVLOHCNVST-UHFFFAOYSA-N -1 3 499.640 5.572 50 0 JKAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000017013802 556203954 /nfs/dbraw/zinc/20/39/54/556203954.db2.gz ZMFXUKBVOUSACF-UHFFFAOYSA-N -1 3 459.575 5.062 50 0 JKAAHM Cc1cc(-n2c(C)cc(C(=O)CSc3n[n-]c(COc4ccc(Cl)cc4C)n3)c2C)no1 ZINC000013015059 556206134 /nfs/dbraw/zinc/20/61/34/556206134.db2.gz UFHJIBHQQFNOHM-UHFFFAOYSA-N -1 3 471.970 5.024 50 0 JKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)n2)cc1 ZINC000017042850 556209501 /nfs/dbraw/zinc/20/95/01/556209501.db2.gz QHKYNOGWOFRTGD-UHFFFAOYSA-N -1 3 473.602 5.998 50 0 JKAAHM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1 ZINC000025521457 556219094 /nfs/dbraw/zinc/21/90/94/556219094.db2.gz URBJOCFYQLNEKX-UHFFFAOYSA-N -1 3 485.657 5.351 50 0 JKAAHM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000017169953 556231049 /nfs/dbraw/zinc/23/10/49/556231049.db2.gz FDYQNZGAKBEGDM-UHFFFAOYSA-N -1 3 452.601 5.021 50 0 JKAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1cccc2ccccc21 ZINC000017201171 556240471 /nfs/dbraw/zinc/24/04/71/556240471.db2.gz MXGAVIYWPFYBJD-UHFFFAOYSA-N -1 3 461.934 5.059 50 0 JKAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cc1C ZINC000017306994 556254464 /nfs/dbraw/zinc/25/44/64/556254464.db2.gz VQPRAQBVXJERIY-UHFFFAOYSA-N -1 3 495.649 5.335 50 0 JKAAHM O=c1nc(CN(Cc2cccs2)C[C@H]2CCCO2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000017308088 556255927 /nfs/dbraw/zinc/25/59/27/556255927.db2.gz ZKPGWRJPOXDSHB-QGZVFWFLSA-N -1 3 455.580 5.033 50 0 JKAAHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000017356576 556259468 /nfs/dbraw/zinc/25/94/68/556259468.db2.gz NITLSQWMQWHCEC-UHFFFAOYSA-N -1 3 497.668 5.240 50 0 JKAAHM CCOc1cccc2c(C)nc(Nc3nc(CSc4ccc(Cl)cc4)cc(=O)[n-]3)nc12 ZINC000017879159 556269634 /nfs/dbraw/zinc/26/96/34/556269634.db2.gz LOSNZIGZMKZXIN-UHFFFAOYSA-N -1 3 453.955 5.110 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000018057510 556281137 /nfs/dbraw/zinc/28/11/37/556281137.db2.gz XHYRUJWPXZAJNZ-QHAWAJNXSA-N -1 3 457.288 5.184 50 0 JKAAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018099755 556287822 /nfs/dbraw/zinc/28/78/22/556287822.db2.gz VQZSFLRIFPUOGK-XPNTWCBSSA-N -1 3 467.352 5.607 50 0 JKAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)Nc1ccc(F)c(F)c1 ZINC000018113826 556289186 /nfs/dbraw/zinc/28/91/86/556289186.db2.gz AUUPYCHYWBKMAE-UHFFFAOYSA-N -1 3 498.458 5.074 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000018157664 556296214 /nfs/dbraw/zinc/29/62/14/556296214.db2.gz ALJAPPMJNKOOQK-UBFVSLLYSA-N -1 3 454.913 5.544 50 0 JKAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000018948347 556325216 /nfs/dbraw/zinc/32/52/16/556325216.db2.gz LEHNUAQHEDJDTL-UHFFFAOYSA-N -1 3 484.430 5.436 50 0 JKAAHM CCCC[C@H](CC)c1nnc([N-]C(=O)c2ccc(Cn3cc(Br)cn3)o2)s1 ZINC000028227258 556326025 /nfs/dbraw/zinc/32/60/25/556326025.db2.gz MDMUSVLDQRPPKH-LBPRGKRZSA-N -1 3 452.378 5.075 50 0 JKAAHM CCc1ccc2oc(C(=O)[N-]c3nc(-c4ccc(I)o4)ns3)c(C)c2c1 ZINC000028405071 556332982 /nfs/dbraw/zinc/33/29/82/556332982.db2.gz FBGXJDMIKVKKMF-UHFFFAOYSA-N -1 3 479.299 5.272 50 0 JKAAHM CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000019530972 556352719 /nfs/dbraw/zinc/35/27/19/556352719.db2.gz DFTWYXVXYZGXMJ-UHFFFAOYSA-N -1 3 466.994 5.074 50 0 JKAAHM Cc1nc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n(C[C@H]2CCCO2)c1C ZINC000029589882 556353413 /nfs/dbraw/zinc/35/34/13/556353413.db2.gz LTMYTXGHZSIBNS-HUUCEWRRSA-N -1 3 456.593 5.090 50 0 JKAAHM Cc1nc(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n(C[C@H]2CCCO2)c1C ZINC000029589884 556353477 /nfs/dbraw/zinc/35/34/77/556353477.db2.gz LTMYTXGHZSIBNS-LSDHHAIUSA-N -1 3 456.593 5.090 50 0 JKAAHM CC(C)c1ccc(-c2nc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCOCC3)cs2)cc1 ZINC000029632604 556354742 /nfs/dbraw/zinc/35/47/42/556354742.db2.gz QTIVMHXIAURBIT-UHFFFAOYSA-N -1 3 475.570 5.404 50 0 JKAAHM CC1(C)C2CCC1(CS(=O)(=O)[N-]c1cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)CC2 ZINC000013131695 556357793 /nfs/dbraw/zinc/35/77/93/556357793.db2.gz HVQDDBAITSCGCT-UHFFFAOYSA-N -1 3 480.552 5.916 50 0 JKAAHM CCc1cc2c(CSc3nnc(-c4cccs4)n3Cc3ccccc3)cc(=O)oc2cc1[O-] ZINC000013133988 556360931 /nfs/dbraw/zinc/36/09/31/556360931.db2.gz HSOYEPGFWPUALO-UHFFFAOYSA-N -1 3 475.595 5.722 50 0 JKAAHM CCOc1ccc(-c2c(-c3csc(C)n3)c(C(F)(F)F)nn2-c2ccccc2C)c([O-])c1 ZINC000013137992 556369422 /nfs/dbraw/zinc/36/94/22/556369422.db2.gz KYXSTUASEKTKAG-UHFFFAOYSA-N -1 3 459.493 6.403 50 0 JKAAHM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4cc(Br)ccc42)CC3)cc1 ZINC000031813439 556406800 /nfs/dbraw/zinc/40/68/00/556406800.db2.gz KHYBTHOYKGDTCE-OAQYLSRUSA-N -1 3 498.402 5.247 50 0 JKAAHM COc1ccc(-c2cc(C(=O)[N-]c3nc(C)c(-c4nc(-c5ccc(F)cc5)no4)s3)no2)cc1 ZINC000031814478 556407072 /nfs/dbraw/zinc/40/70/72/556407072.db2.gz RUNFCLQDQDMGBO-UHFFFAOYSA-N -1 3 477.477 5.224 50 0 JKAAHM O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000032017262 556412512 /nfs/dbraw/zinc/41/25/12/556412512.db2.gz VEONCSHBYLADQO-UHFFFAOYSA-N -1 3 454.523 5.200 50 0 JKAAHM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032073069 556413400 /nfs/dbraw/zinc/41/34/00/556413400.db2.gz KFULQCCVFALNFW-FJVHPZGUSA-N -1 3 451.570 5.292 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000032073426 556413661 /nfs/dbraw/zinc/41/36/61/556413661.db2.gz XFDSDLVOTWGJTD-CLJLJLNGSA-N -1 3 459.977 5.354 50 0 JKAAHM CCOc1cccc2cc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@H](C(C)(C)C)C5)c(=O)oc21 ZINC000008588371 562941368 /nfs/dbraw/zinc/94/13/68/562941368.db2.gz BCEWKKMNKOCRFW-AWEZNQCLSA-N -1 3 450.560 5.308 50 0 JKAAHM CCOc1cccc2cc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@@H](C(C)(C)C)C5)c(=O)oc21 ZINC000008588370 562941403 /nfs/dbraw/zinc/94/14/03/562941403.db2.gz BCEWKKMNKOCRFW-CQSZACIVSA-N -1 3 450.560 5.308 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008595663 562944058 /nfs/dbraw/zinc/94/40/58/562944058.db2.gz SGFCEYJTEWNQES-AREMUKBSSA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008595663 562944059 /nfs/dbraw/zinc/94/40/59/562944059.db2.gz SGFCEYJTEWNQES-AREMUKBSSA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000008595721 562944096 /nfs/dbraw/zinc/94/40/96/562944096.db2.gz WINVIAOADJXVCF-DEOSSOPVSA-N -1 3 473.554 5.463 50 0 aggregator JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000008595721 562944098 /nfs/dbraw/zinc/94/40/98/562944098.db2.gz WINVIAOADJXVCF-DEOSSOPVSA-N -1 3 473.554 5.463 50 0 aggregator JKAAHM CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nnc1-c1ccc(Cl)cc1 ZINC000008693928 562954542 /nfs/dbraw/zinc/95/45/42/562954542.db2.gz QYGLXCAMZBOXSD-UHFFFAOYSA-N -1 3 480.018 5.876 50 0 aggregator JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000008452899 569591174 /nfs/dbraw/zinc/59/11/74/569591174.db2.gz GOKQVEOIHKKPNE-NJDAHSKKSA-N -1 3 483.749 5.154 50 0 JKAAHM CCCCOc1ccc(-c2cc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)c3ccccc3n2)cc1 ZINC000008454847 569591502 /nfs/dbraw/zinc/59/15/02/569591502.db2.gz WQBFFMFDVPQASI-XMMPIXPASA-N -1 3 471.479 5.553 50 0 JKAAHM Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000057289902 569595700 /nfs/dbraw/zinc/59/57/00/569595700.db2.gz KOLZMRUESHLFSQ-AREMUKBSSA-N -1 3 457.574 5.040 50 0 JKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008711381 569595997 /nfs/dbraw/zinc/59/59/97/569595997.db2.gz AHVXHUIHOLCTEQ-JOCHJYFZSA-N -1 3 473.907 6.482 50 0 JKAAHM CCOc1ccc(C2=NN(c3nc(-c4ccc(OC)cc4)cs3)[C@@]([O-])(C(F)(F)F)C2)cc1 ZINC000008711517 569596051 /nfs/dbraw/zinc/59/60/51/569596051.db2.gz KHADCPAJKIPPNL-NRFANRHFSA-N -1 3 463.481 5.083 50 0 JKAAHM COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@]([O-])(C(F)(F)F)C2)cc1 ZINC000008711488 569596055 /nfs/dbraw/zinc/59/60/55/569596055.db2.gz MCMGVMMRTKEEJY-IBGZPJMESA-N -1 3 453.873 5.337 50 0 JKAAHM CCOc1ccc(-c2csc(N3N=C(c4cccc5ccccc54)C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711440 569596091 /nfs/dbraw/zinc/59/60/91/569596091.db2.gz HGOGPYIWWSKXEO-DEOSSOPVSA-N -1 3 483.515 6.227 50 0 JKAAHM CCOc1ccc(C2=NN(c3nc(-c4ccc(OC)cc4)cs3)[C@]([O-])(C(F)(F)F)C2)cc1 ZINC000008711514 569596136 /nfs/dbraw/zinc/59/61/36/569596136.db2.gz KHADCPAJKIPPNL-OAQYLSRUSA-N -1 3 463.481 5.083 50 0 JKAAHM COc1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711525 569596149 /nfs/dbraw/zinc/59/61/49/569596149.db2.gz VEGSVOJSDNGZFF-LJQANCHMSA-N -1 3 498.324 5.447 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008715775 569596391 /nfs/dbraw/zinc/59/63/91/569596391.db2.gz RBYPVJKMSKXKPK-SANMLTNESA-N -1 3 451.526 5.620 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008715775 569596392 /nfs/dbraw/zinc/59/63/92/569596392.db2.gz RBYPVJKMSKXKPK-SANMLTNESA-N -1 3 451.526 5.620 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008715781 569596501 /nfs/dbraw/zinc/59/65/01/569596501.db2.gz XFCLOCCUKLBZOJ-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008715781 569596502 /nfs/dbraw/zinc/59/65/02/569596502.db2.gz XFCLOCCUKLBZOJ-SANMLTNESA-N -1 3 467.525 5.320 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000008715784 569596508 /nfs/dbraw/zinc/59/65/08/569596508.db2.gz JOYXSZVFZSTVDN-RUZDIDTESA-N -1 3 471.944 5.965 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000008715784 569596509 /nfs/dbraw/zinc/59/65/09/569596509.db2.gz JOYXSZVFZSTVDN-RUZDIDTESA-N -1 3 471.944 5.965 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)cc1 ZINC000064471536 569617724 /nfs/dbraw/zinc/61/77/24/569617724.db2.gz NMBHGANLFASRSZ-UHFFFAOYSA-N -1 3 475.574 5.390 50 0 JKAAHM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4cc(C)ccc4C)cc3Cl)sc2c1 ZINC000033169085 569621740 /nfs/dbraw/zinc/62/17/40/569621740.db2.gz HUAAXPORIUCBSQ-UHFFFAOYSA-N -1 3 473.019 6.184 50 0 JKAAHM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4cccc(F)c4)cc3Cl)sc2c1 ZINC000033169086 569621778 /nfs/dbraw/zinc/62/17/78/569621778.db2.gz HTQCVWVZAUKYCP-UHFFFAOYSA-N -1 3 462.955 5.706 50 0 JKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033326894 569624039 /nfs/dbraw/zinc/62/40/39/569624039.db2.gz BAGLMYBVHCPVKE-UHFFFAOYSA-N -1 3 481.622 5.473 50 0 JKAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(C)n1 ZINC000033326878 569624116 /nfs/dbraw/zinc/62/41/16/569624116.db2.gz BWESHKCQMNQZHT-UHFFFAOYSA-N -1 3 479.528 5.194 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)nc(N2CCCC2)n1 ZINC000064801818 569631507 /nfs/dbraw/zinc/63/15/07/569631507.db2.gz ZYEXZEVXVQNFGV-UHFFFAOYSA-N -1 3 478.405 5.236 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)cc1C ZINC000064802029 569631875 /nfs/dbraw/zinc/63/18/75/569631875.db2.gz XOIWTFORFCPVER-UHFFFAOYSA-N -1 3 481.622 5.391 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c(C)c1C ZINC000064802202 569631914 /nfs/dbraw/zinc/63/19/14/569631914.db2.gz GLFRVCPZWZFPOA-UHFFFAOYSA-N -1 3 495.649 5.699 50 0 JKAAHM COc1cc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c(C)cc1C ZINC000064802184 569631957 /nfs/dbraw/zinc/63/19/57/569631957.db2.gz HSIAISCNFGDIHX-UHFFFAOYSA-N -1 3 495.649 5.699 50 0 JKAAHM COc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c1 ZINC000064814517 569632221 /nfs/dbraw/zinc/63/22/21/569632221.db2.gz QQFDTDRULDVYGD-UHFFFAOYSA-N -1 3 467.595 5.083 50 0 JKAAHM COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1[O-] ZINC000034706854 569649655 /nfs/dbraw/zinc/64/96/55/569649655.db2.gz JUQNINXAJNACGD-NVNXTCNLSA-N -1 3 499.180 5.162 50 0 JKAAHM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000065060263 569655400 /nfs/dbraw/zinc/65/54/00/569655400.db2.gz CUWAMDCBQYXYDW-UHFFFAOYSA-N -1 3 467.410 5.389 50 0 JKAAHM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1 ZINC000065063510 569656741 /nfs/dbraw/zinc/65/67/41/569656741.db2.gz SLUYSEOLRUYMIV-UHFFFAOYSA-N -1 3 467.591 5.212 50 0 JKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CCCC4)cn3)cc2)cc1 ZINC000065063574 569656997 /nfs/dbraw/zinc/65/69/97/569656997.db2.gz CYTZEPSYQJXHET-UHFFFAOYSA-N -1 3 493.629 5.645 50 0 JKAAHM CCCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000065074608 569657212 /nfs/dbraw/zinc/65/72/12/569657212.db2.gz MAFHVKJVLTZYQR-UHFFFAOYSA-N -1 3 493.629 5.474 50 0 JKAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]C3CCCCCCC3)c2)sc1C(=O)N1CCCCC1 ZINC000065117080 569667017 /nfs/dbraw/zinc/66/70/17/569667017.db2.gz JLOUQOVTLVNVPA-UHFFFAOYSA-N -1 3 481.709 5.197 50 0 JKAAHM CCOC(=O)c1sc2nc(-c3cc(OC)c([O-])c(OC)c3)c(NCc3ccc(C)cc3)n2c1C ZINC000065315869 569672974 /nfs/dbraw/zinc/67/29/74/569672974.db2.gz RBNPNSQALGCRIX-UHFFFAOYSA-N -1 3 481.574 5.191 50 0 JKAAHM CCOC(=O)c1sc2nc(-c3cc(OC)c([O-])c(OC)c3)c(NCc3cccc(C)c3)n2c1C ZINC000065315833 569672987 /nfs/dbraw/zinc/67/29/87/569672987.db2.gz REKLGQYFFXXGME-UHFFFAOYSA-N -1 3 481.574 5.191 50 0 JKAAHM CCOC(=O)c1sc2nc(-c3cc(OC)c([O-])c(OC)c3)c(NCc3cccc(F)c3)n2c1C ZINC000065315886 569673154 /nfs/dbraw/zinc/67/31/54/569673154.db2.gz GFTBVAAJTVAUOY-UHFFFAOYSA-N -1 3 485.537 5.022 50 0 JKAAHM CCOC(=O)c1sc2nc(-c3cc(OC)c([O-])c(OC)c3)c(NC3CCCCCC3)n2c1C ZINC000065318737 569673161 /nfs/dbraw/zinc/67/31/61/569673161.db2.gz XESPBAZAZWRTBN-UHFFFAOYSA-N -1 3 473.595 5.405 50 0 JKAAHM CCOc1cc(Br)c(Br)c(/C=C/c2ccccc2OC(F)F)c1[O-] ZINC000067321440 569687318 /nfs/dbraw/zinc/68/73/18/569687318.db2.gz OYIGGLYTYYDSIU-BQYQJAHWSA-N -1 3 464.100 6.088 50 0 JKAAHM Cc1ccc(-c2noc(-c3c([N-]C(=O)c4cc(-c5cccs5)on4)sc4c3CCCC4)n2)cc1 ZINC000035671297 569706045 /nfs/dbraw/zinc/70/60/45/569706045.db2.gz FPYPAXDTDBWQHR-UHFFFAOYSA-N -1 3 488.594 6.621 50 0 JKAAHM Cc1ccc(-c2noc(-c3c([N-]C(=O)c4cc(-c5ccccc5)on4)sc4c3CCCC4)n2)cc1 ZINC000035671295 569706139 /nfs/dbraw/zinc/70/61/39/569706139.db2.gz IPBHUVZRWTWVDD-UHFFFAOYSA-N -1 3 482.565 6.560 50 0 JKAAHM COc1ccc(-c2cc(C(=O)[N-]c3sc(C)c(C)c3-c3nc(-c4ccc(C)cc4)no3)no2)cc1 ZINC000035671581 569706196 /nfs/dbraw/zinc/70/61/96/569706196.db2.gz IEIIYDOCQCJMNL-UHFFFAOYSA-N -1 3 486.553 6.306 50 0 JKAAHM Cc1sc([N-]C(=O)c2cc(-c3ccc(C)cc3)on2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671582 569706238 /nfs/dbraw/zinc/70/62/38/569706238.db2.gz WUGWRTKULFKIRH-UHFFFAOYSA-N -1 3 470.554 6.606 50 0 JKAAHM Cc1sc([N-]C(=O)c2cc(-c3cccs3)on2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671562 569706267 /nfs/dbraw/zinc/70/62/67/569706267.db2.gz CHRABADMTLRPEK-UHFFFAOYSA-N -1 3 462.556 6.359 50 0 JKAAHM COc1ccccc1[C@@H]1CC(=O)Oc2cc3c(c([O-])c21)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3 ZINC000079188408 569707044 /nfs/dbraw/zinc/70/70/44/569707044.db2.gz MYNUBSUOSNTHMV-CIVCUZECSA-N -1 3 478.541 5.324 50 0 JKAAHM CC(C)c1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079188530 569707081 /nfs/dbraw/zinc/70/70/81/569707081.db2.gz SBDJBSCAMUHVMW-XCESRKLTSA-N -1 3 490.596 6.438 50 0 JKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1O ZINC000079190635 569707147 /nfs/dbraw/zinc/70/71/47/569707147.db2.gz YYYNXPWXUTUFAG-ZRVHFQGWSA-N -1 3 494.540 5.029 50 0 JKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1cccc(Oc2ccccc2)c1 ZINC000089845841 569720067 /nfs/dbraw/zinc/72/00/67/569720067.db2.gz HPMQRKDGGKUAKG-UHFFFAOYSA-N -1 3 452.536 5.944 50 0 JKAAHM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035886878 569720686 /nfs/dbraw/zinc/72/06/86/569720686.db2.gz AWJWTMGVRJZUJX-DQEYMECFSA-N -1 3 476.598 5.065 50 0 JKAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2OCc2cccc(F)c2)S1 ZINC000095478071 569724478 /nfs/dbraw/zinc/72/44/78/569724478.db2.gz FGZUJVZLUORXEK-CVDCTZTESA-N -1 3 481.593 6.323 50 0 JKAAHM CC[C@@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)C1=O ZINC000035910041 569725239 /nfs/dbraw/zinc/72/52/39/569725239.db2.gz SVAYLSUGSOMTQT-SBUREZEXSA-N -1 3 485.005 5.402 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)c(C)c1 ZINC000035910523 569725814 /nfs/dbraw/zinc/72/58/14/569725814.db2.gz QREGROJZIJTWGG-HHHXNRCGSA-N -1 3 494.682 6.315 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)cc1 ZINC000035910525 569725818 /nfs/dbraw/zinc/72/58/18/569725818.db2.gz PUHLRKJZXKPKBG-VWLOTQADSA-N -1 3 482.627 5.398 50 0 JKAAHM CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000035912476 569727483 /nfs/dbraw/zinc/72/74/83/569727483.db2.gz JUMYVWRUEPKOSB-AREMUKBSSA-N -1 3 496.654 5.590 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000035912499 569727489 /nfs/dbraw/zinc/72/74/89/569727489.db2.gz ZJIGRWRYMAXIOL-SANMLTNESA-N -1 3 480.655 5.808 50 0 JKAAHM CC[C@@H](C)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035945331 569732658 /nfs/dbraw/zinc/73/26/58/569732658.db2.gz YAKZISFEDWCLJW-LJQANCHMSA-N -1 3 489.682 5.125 50 0 JKAAHM CC(C)(C)c1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc(C(C)(C)C)c1O ZINC000096116664 569735442 /nfs/dbraw/zinc/73/54/42/569735442.db2.gz MDDVJEKMXOFJDH-NRFANRHFSA-N -1 3 489.707 5.732 50 0 JKAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3n(CC(C)C)c2=O)S1 ZINC000096117119 569735623 /nfs/dbraw/zinc/73/56/23/569735623.db2.gz WOULCWZTVNBZRU-XMSQKQJNSA-N -1 3 480.634 5.164 50 0 JKAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccccc2OCc2ccccc2)CCO1 ZINC000096118017 569736047 /nfs/dbraw/zinc/73/60/47/569736047.db2.gz ARLISIPPBWDTOG-FDDCHVKYSA-N -1 3 479.602 5.073 50 0 JKAAHM O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000096222253 569739439 /nfs/dbraw/zinc/73/94/39/569739439.db2.gz MNUDQQPDKQRLFR-KRWDZBQOSA-N -1 3 453.277 5.913 50 0 biogenic JKAAHM C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000036006933 569747611 /nfs/dbraw/zinc/74/76/11/569747611.db2.gz POFJLUIMNQZBLM-YZUZCNPQSA-N -1 3 453.325 5.435 50 0 JKAAHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073030 569750146 /nfs/dbraw/zinc/75/01/46/569750146.db2.gz ONEDEXLRGJXAKM-UHFFFAOYSA-N -1 3 482.627 5.941 50 0 JKAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073059 569750243 /nfs/dbraw/zinc/75/02/43/569750243.db2.gz WXDLJBGLESQHFY-UHFFFAOYSA-N -1 3 477.071 5.170 50 0 JKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100123877 569753268 /nfs/dbraw/zinc/75/32/68/569753268.db2.gz VAWKIFVVJANQRK-VSKRKVRLSA-N -1 3 469.324 5.053 50 0 JKAAHM COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(I)c1[O-] ZINC000100716869 569767625 /nfs/dbraw/zinc/76/76/25/569767625.db2.gz MIXDCSSDPOIXTC-FQEVSTJZSA-N -1 3 490.341 5.877 50 0 JKAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100949245 569777559 /nfs/dbraw/zinc/77/75/59/569777559.db2.gz JAKSDEKBLIRJKK-BDTNDASRSA-N -1 3 469.324 5.053 50 0 JKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000101087815 569781987 /nfs/dbraw/zinc/78/19/87/569781987.db2.gz LSOWSSNQULASJV-ZRBLBEILSA-N -1 3 499.350 5.062 50 0 JKAAHM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000101108270 569783092 /nfs/dbraw/zinc/78/30/92/569783092.db2.gz IBYZXIMWJRVOOK-XJUOHMSHSA-N -1 3 499.350 5.062 50 0 JKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101149652 569784564 /nfs/dbraw/zinc/78/45/64/569784564.db2.gz LBUYNAOGDHTSOT-XPNTWCBSSA-N -1 3 499.350 5.149 50 0 JKAAHM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(-c4ccccc4)c3)C([O-])=C2ON1c1ccccc1 ZINC000101250780 569788093 /nfs/dbraw/zinc/78/80/93/569788093.db2.gz XTKLUZXLKMVELW-IARZGTGTSA-N -1 3 460.533 5.713 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000102663039 569815365 /nfs/dbraw/zinc/81/53/65/569815365.db2.gz ILZANGSWKGGKFD-PWRODBHTSA-N -1 3 473.743 5.698 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1Cl ZINC000102693814 569816015 /nfs/dbraw/zinc/81/60/15/569816015.db2.gz UEOMMGWREDPZEA-FDFHNCONSA-N -1 3 497.776 5.462 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1Cl ZINC000102702891 569816156 /nfs/dbraw/zinc/81/61/56/569816156.db2.gz ONSLCKWIYPZTSG-BHDDXSALSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1C ZINC000102700120 569816207 /nfs/dbraw/zinc/81/62/07/569816207.db2.gz VKVKBVQYPQPHFH-RJGXRXQPSA-N -1 3 477.358 5.117 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000102704081 569816398 /nfs/dbraw/zinc/81/63/98/569816398.db2.gz MPCYRNRFSSRROT-PWRODBHTSA-N -1 3 483.749 5.154 50 0 JKAAHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c(C)c1 ZINC000102707710 569816751 /nfs/dbraw/zinc/81/67/51/569816751.db2.gz WHEUFGRVKOTSBF-FPNNDXFKSA-N -1 3 462.549 5.816 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000102727527 569817871 /nfs/dbraw/zinc/81/78/71/569817871.db2.gz IEDYHFDKIHVILF-KKUQBAQOSA-N -1 3 456.542 5.307 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000102731604 569818082 /nfs/dbraw/zinc/81/80/82/569818082.db2.gz TUEBVZMUJOZKPU-BHIFYINESA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102734045 569818397 /nfs/dbraw/zinc/81/83/97/569818397.db2.gz QUZFCEYKBMIPLK-YPAWHYETSA-N -1 3 487.770 6.006 50 0 JKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000102732865 569818436 /nfs/dbraw/zinc/81/84/36/569818436.db2.gz JZQHUOCERVLIIQ-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102734560 569818732 /nfs/dbraw/zinc/81/87/32/569818732.db2.gz GZLGLBXVRQSDAT-KCZVDYSFSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c(C)c1 ZINC000102738007 569818896 /nfs/dbraw/zinc/81/88/96/569818896.db2.gz JFEJDPZSSDQMOB-GMKZXUHWSA-N -1 3 491.385 5.425 50 0 JKAAHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c(C)c1 ZINC000102738006 569818971 /nfs/dbraw/zinc/81/89/71/569818971.db2.gz JFEJDPZSSDQMOB-YFNKSVMNSA-N -1 3 491.385 5.425 50 0 JKAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102738950 569818988 /nfs/dbraw/zinc/81/89/88/569818988.db2.gz PXSBOFFPANTTHJ-DNVJHFABSA-N -1 3 467.352 5.607 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c(C)c1 ZINC000102752175 569820825 /nfs/dbraw/zinc/82/08/25/569820825.db2.gz HBQJJBSTVTVRNC-XPWALMASSA-N -1 3 477.358 5.117 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000102754071 569821112 /nfs/dbraw/zinc/82/11/12/569821112.db2.gz CFBQIAMWYCHNHS-OZNIXHKMSA-N -1 3 498.623 6.214 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102756401 569821261 /nfs/dbraw/zinc/82/12/61/569821261.db2.gz PQWOEEQMSCRUAP-ZGIBFIJWSA-N -1 3 490.559 5.625 50 0 JKAAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000102760228 569821728 /nfs/dbraw/zinc/82/17/28/569821728.db2.gz FPSDNMWJSNNGOE-DNVJHFABSA-N -1 3 483.351 5.443 50 0 JKAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102760023 569821736 /nfs/dbraw/zinc/82/17/36/569821736.db2.gz CICFCRFDQMHNBT-YTFSRNRJSA-N -1 3 498.457 5.035 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000102759989 569821777 /nfs/dbraw/zinc/82/17/77/569821777.db2.gz MBIOULGFXPJTOP-DSNGMDLFSA-N -1 3 474.582 5.248 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000102759950 569821875 /nfs/dbraw/zinc/82/18/75/569821875.db2.gz NUSLVQVAMIDFEU-BHIFYINESA-N -1 3 452.432 5.065 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000102765153 569822866 /nfs/dbraw/zinc/82/28/66/569822866.db2.gz PZQIEIGSQXECJF-XPWALMASSA-N -1 3 466.459 5.373 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(C(F)(F)F)c1 ZINC000102765906 569822927 /nfs/dbraw/zinc/82/29/27/569822927.db2.gz IDXWPVHIESARKE-PCCBWWKXSA-N -1 3 472.850 5.410 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000102767545 569823195 /nfs/dbraw/zinc/82/31/95/569823195.db2.gz HVEBVCCBSCCNLB-TZRRMPRUSA-N -1 3 496.485 5.545 50 0 JKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000102768213 569823347 /nfs/dbraw/zinc/82/33/47/569823347.db2.gz DLMAWDOBBYYXGS-XPWALMASSA-N -1 3 482.458 5.155 50 0 JKAAHM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1nc(C)cs1 ZINC000102890120 569826536 /nfs/dbraw/zinc/82/65/36/569826536.db2.gz XQCVEYCFEWAQPI-MRCUWXFGSA-N -1 3 492.626 5.632 50 0 JKAAHM CCCCCCc1cc(-c2nc(-c3ccccc3)nnc2-c2ccc(Cl)cc2)c([O-])cc1O ZINC000103030457 569832109 /nfs/dbraw/zinc/83/21/09/569832109.db2.gz HNEKFSRDHRKXES-UHFFFAOYSA-N -1 3 459.977 7.060 50 0 JKAAHM CCN(CC)C1=Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000103042006 569832228 /nfs/dbraw/zinc/83/22/28/569832228.db2.gz JHYUYKHHAWIKAV-UHFFFAOYSA-N -1 3 451.548 5.022 50 0 JKAAHM CCN(CC)C1=Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000103188772 569833778 /nfs/dbraw/zinc/83/37/78/569833778.db2.gz MEBKAGQBIXIDQW-UHFFFAOYSA-N -1 3 477.630 6.311 50 0 JKAAHM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1c1ccccc1 ZINC000103307803 569834644 /nfs/dbraw/zinc/83/46/44/569834644.db2.gz QHEUTGSTBAFPIA-JTAQYXEDSA-N -1 3 474.866 5.361 50 0 JKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccncc1)[C@]21C(=O)Nc2ccccc21 ZINC000043727025 569838311 /nfs/dbraw/zinc/83/83/11/569838311.db2.gz CDKPVMWAAKYWAN-WJQRCLFPSA-N -1 3 491.591 5.060 50 0 JKAAHM [O-]c1csc(N2N=C3C(=Cc4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)n1 ZINC000051329680 569851756 /nfs/dbraw/zinc/85/17/56/569851756.db2.gz NMRUTKPFVSXXCK-BCAKAMLXSA-N -1 3 456.398 6.219 50 0 JKAAHM [O-]c1csc(N2N=C3C(=Cc4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)n1 ZINC000051329684 569851773 /nfs/dbraw/zinc/85/17/73/569851773.db2.gz NMRUTKPFVSXXCK-KYCHXARBSA-N -1 3 456.398 6.219 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000105906499 569853596 /nfs/dbraw/zinc/85/35/96/569853596.db2.gz YZAWMMKIZCUHBP-PWRODBHTSA-N -1 3 490.840 5.549 50 0 JKAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000136457926 569864583 /nfs/dbraw/zinc/86/45/83/569864583.db2.gz GXUHEPJLCPFTAK-FDFHNCONSA-N -1 3 469.324 5.053 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000136601086 569864677 /nfs/dbraw/zinc/86/46/77/569864677.db2.gz BMXLBVHMRKTPIY-ISJGIBHGSA-N -1 3 454.457 5.137 50 0 JKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000137680593 569865181 /nfs/dbraw/zinc/86/51/81/569865181.db2.gz LSOWSSNQULASJV-YTFSRNRJSA-N -1 3 499.350 5.062 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000137957440 569865568 /nfs/dbraw/zinc/86/55/68/569865568.db2.gz XFWGDLZHPZWKHE-CCDWMCETSA-N -1 3 456.448 5.169 50 0 JKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000143595235 569867610 /nfs/dbraw/zinc/86/76/10/569867610.db2.gz LBUYNAOGDHTSOT-QZNHQXDQSA-N -1 3 499.350 5.149 50 0 JKAAHM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000143598215 569867661 /nfs/dbraw/zinc/86/76/61/569867661.db2.gz VQZSFLRIFPUOGK-QZNHQXDQSA-N -1 3 467.352 5.607 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000226832371 570038706 /nfs/dbraw/zinc/03/87/06/570038706.db2.gz GFCQWPOTDVZCGL-PCCBWWKXSA-N -1 3 457.288 5.184 50 0 JKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000226838736 570038796 /nfs/dbraw/zinc/03/87/96/570038796.db2.gz UOCPEYAAYOJILM-FQJHJXCSSA-N -1 3 486.930 5.041 50 0 JKAAHM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226842628 570038979 /nfs/dbraw/zinc/03/89/79/570038979.db2.gz KSVSTAIYMSQLPT-RBZQAINGSA-N -1 3 495.406 6.342 50 0 JKAAHM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226863597 570039164 /nfs/dbraw/zinc/03/91/64/570039164.db2.gz TUOGVVHZFULDKU-FBEWHJACSA-N -1 3 471.395 5.344 50 0 JKAAHM COc1ccc(-c2noc([C@H]([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)C(C)C)n2)cc1 ZINC000227156414 570040147 /nfs/dbraw/zinc/04/01/47/570040147.db2.gz DTCSERXKNMZERR-HSZRJFAPSA-N -1 3 463.559 5.088 50 0 JKAAHM Cc1cc(C)cc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000229969469 570042863 /nfs/dbraw/zinc/04/28/63/570042863.db2.gz UEVQERKSIRJSAR-YTFSRNRJSA-N -1 3 477.358 5.117 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000229972961 570042931 /nfs/dbraw/zinc/04/29/31/570042931.db2.gz GOKQVEOIHKKPNE-PWRODBHTSA-N -1 3 483.749 5.154 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000229985038 570043044 /nfs/dbraw/zinc/04/30/44/570043044.db2.gz ATXDEDKBOFKTTG-ISJGIBHGSA-N -1 3 460.505 5.056 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000229984468 570043061 /nfs/dbraw/zinc/04/30/61/570043061.db2.gz ODJHQDUYRVGTKL-RBZQAINGSA-N -1 3 462.933 5.180 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000230034583 570043722 /nfs/dbraw/zinc/04/37/22/570043722.db2.gz MBIOULGFXPJTOP-ISJGIBHGSA-N -1 3 474.582 5.248 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000230034462 570043757 /nfs/dbraw/zinc/04/37/57/570043757.db2.gz NUSLVQVAMIDFEU-BHDDXSALSA-N -1 3 452.432 5.065 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000230076522 570044329 /nfs/dbraw/zinc/04/43/29/570044329.db2.gz MSBVFUXMYIKKSU-JBRSBNLGSA-N -1 3 489.358 6.198 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000245309341 570062807 /nfs/dbraw/zinc/06/28/07/570062807.db2.gz CFBQIAMWYCHNHS-JCYYIGJDSA-N -1 3 498.623 6.214 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000245311658 570063564 /nfs/dbraw/zinc/06/35/64/570063564.db2.gz PQWOEEQMSCRUAP-SSBOKUKZSA-N -1 3 490.559 5.625 50 0 JKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1cccnc1)[C@]21C(=O)Nc2ccccc21 ZINC000245312267 570063762 /nfs/dbraw/zinc/06/37/62/570063762.db2.gz SIIKHIDEESCFAH-GURVGDRESA-N -1 3 491.591 5.060 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000245325269 570064346 /nfs/dbraw/zinc/06/43/46/570064346.db2.gz DRCQQQVMZQACSR-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000245326440 570064753 /nfs/dbraw/zinc/06/47/53/570064753.db2.gz JZQHUOCERVLIIQ-BHIFYINESA-N -1 3 453.325 5.353 50 0 JKAAHM O=S(=O)([N-]c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(Cl)cc1 ZINC000001032421 194006289 /nfs/dbraw/zinc/00/62/89/194006289.db2.gz ZKQQVMMCONPKSY-UHFFFAOYSA-N -1 3 483.924 6.074 50 0 JKAAHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000001044973 194008712 /nfs/dbraw/zinc/00/87/12/194008712.db2.gz OMBLCLGLNWTUKU-UHFFFAOYSA-N -1 3 487.475 5.593 50 0 JKAAHM S=c1[n-]nc(Cn2c3ccccc3nc2-c2ccccn2)n1-c1cc(Cl)cc(Cl)c1 ZINC000001068139 194015140 /nfs/dbraw/zinc/01/51/40/194015140.db2.gz DCCOCLQIMNXOLJ-UHFFFAOYSA-N -1 3 453.358 5.323 50 0 JKAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001111678 194028036 /nfs/dbraw/zinc/02/80/36/194028036.db2.gz KQCDVQNPNOZRNW-UHFFFAOYSA-N -1 3 462.958 6.060 50 0 JKAAHM O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000001135973 194042169 /nfs/dbraw/zinc/04/21/69/194042169.db2.gz FINXWSQNUZEBBZ-UHFFFAOYSA-N -1 3 465.756 5.156 50 0 JKAAHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000001149762 194049968 /nfs/dbraw/zinc/04/99/68/194049968.db2.gz IZTMSWJJCYXISQ-UHFFFAOYSA-N -1 3 450.944 5.011 50 0 JKAAHM O=C([N-]c1ccc(F)cc1F)c1sccc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000001393238 194114562 /nfs/dbraw/zinc/11/45/62/194114562.db2.gz TZBYUDMIHJFKPN-UHFFFAOYSA-N -1 3 462.326 5.559 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2cccc(O)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404701 194115478 /nfs/dbraw/zinc/11/54/78/194115478.db2.gz QWYIDTYOGDAQQA-XMMPIXPASA-N -1 3 490.357 5.693 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2cccc(O)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404701 194115480 /nfs/dbraw/zinc/11/54/80/194115480.db2.gz QWYIDTYOGDAQQA-XMMPIXPASA-N -1 3 490.357 5.693 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccccn2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404732 194115570 /nfs/dbraw/zinc/11/55/70/194115570.db2.gz PVOULAVFKNCNCQ-HSZRJFAPSA-N -1 3 475.346 5.383 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccccn2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404732 194115571 /nfs/dbraw/zinc/11/55/71/194115571.db2.gz PVOULAVFKNCNCQ-HSZRJFAPSA-N -1 3 475.346 5.383 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccccn2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404728 194115610 /nfs/dbraw/zinc/11/56/10/194115610.db2.gz PVOULAVFKNCNCQ-QHCPKHFHSA-N -1 3 475.346 5.383 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccccn2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404728 194115613 /nfs/dbraw/zinc/11/56/13/194115613.db2.gz PVOULAVFKNCNCQ-QHCPKHFHSA-N -1 3 475.346 5.383 50 0 JKAAHM COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Br)c1[O-] ZINC000001416486 194117113 /nfs/dbraw/zinc/11/71/13/194117113.db2.gz ZSDPFTTYGAURJH-VIZOYTHASA-N -1 3 472.719 5.192 50 0 JKAAHM COc1cccc2cc(-c3nnc([N-]c4cc(C(F)(F)F)ccc4Cl)s3)c(=O)oc21 ZINC000002956035 194179616 /nfs/dbraw/zinc/17/96/16/194179616.db2.gz YBTSQRIRAJIERQ-UHFFFAOYSA-N -1 3 453.829 5.736 50 0 JKAAHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3[O-])oc2cc1C ZINC000002982418 194194516 /nfs/dbraw/zinc/19/45/16/194194516.db2.gz YAKUSECPYWQOLE-UHFFFAOYSA-N -1 3 451.935 5.597 50 0 JKAAHM O=C1Nc2ccc(F)cc2[C@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3Cl)nc1O2 ZINC000002978045 194191861 /nfs/dbraw/zinc/19/18/61/194191861.db2.gz FWARKQAKPIPKQZ-XMMPIXPASA-N -1 3 491.935 5.233 50 0 biogenic JKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000003011404 194204790 /nfs/dbraw/zinc/20/47/90/194204790.db2.gz WQFCVTGAOFUDLL-DYVFJYSZSA-N -1 3 471.266 5.808 50 0 JKAAHM CCOc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc(Br)c1[O-] ZINC000002992602 194196755 /nfs/dbraw/zinc/19/67/55/194196755.db2.gz NVPNUIDROCDJNR-UHFFFAOYSA-N -1 3 467.407 6.196 50 0 JKAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000003017836 194207872 /nfs/dbraw/zinc/20/78/72/194207872.db2.gz NFIHIMABMORZEP-DEOSSOPVSA-N -1 3 463.603 5.838 50 0 JKAAHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000003021926 194208933 /nfs/dbraw/zinc/20/89/33/194208933.db2.gz FHHPZHVLWKRJDY-UHFFFAOYSA-N -1 3 471.312 5.002 50 0 JKAAHM O=C([N-]c1ccc(CSc2ccc(Cl)cc2)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003169970 194233582 /nfs/dbraw/zinc/23/35/82/194233582.db2.gz KPMNUKFEDFOPIB-UHFFFAOYSA-N -1 3 494.844 7.907 50 0 JKAAHM [O-]c1cc(O)ccc1-c1c(-c2ccc3ccccc3n2)cnn1-c1c(F)c(F)c(F)c(F)c1F ZINC000003184210 194235772 /nfs/dbraw/zinc/23/57/72/194235772.db2.gz JZPFFMKYWWFXMY-UHFFFAOYSA-N -1 3 469.369 5.861 50 0 JKAAHM C[C@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003107790 194226731 /nfs/dbraw/zinc/22/67/31/194226731.db2.gz DNOBWMPSBWDKSV-VIFPVBQESA-N -1 3 461.387 5.080 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)cc2)cc1 ZINC000003236150 194247283 /nfs/dbraw/zinc/24/72/83/194247283.db2.gz CVOUSVQWELWFCT-UHFFFAOYSA-N -1 3 497.960 5.365 50 0 JKAAHM CCN(Cn1c2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2oc1=S)C1CCCCC1 ZINC000003268755 194257519 /nfs/dbraw/zinc/25/75/19/194257519.db2.gz LIOGVGRWVIHKAD-UHFFFAOYSA-N -1 3 475.636 5.385 50 0 JKAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(=Cc1cccs1)c1cccs1 ZINC000003300157 194272135 /nfs/dbraw/zinc/27/21/35/194272135.db2.gz SBAMJNIUDQNTNC-RVDMUPIBSA-N -1 3 454.598 5.270 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@H]3C)nc(=O)c2c1C ZINC000003332836 194286347 /nfs/dbraw/zinc/28/63/47/194286347.db2.gz JKHVORWAEVWPHG-DYVFJYSZSA-N -1 3 494.646 5.193 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4cccnc4)n3[C@@H]3CCCC[C@@H]3C)nc(=O)c2c1C ZINC000003332843 194286404 /nfs/dbraw/zinc/28/64/04/194286404.db2.gz JKHVORWAEVWPHG-SUMWQHHRSA-N -1 3 494.646 5.193 50 0 JKAAHM O=C(c1c[nH]c2ccccc21)[C@H](Sc1nnc([N-]c2ccccc2F)s1)c1ccccc1 ZINC000003363736 194302058 /nfs/dbraw/zinc/30/20/58/194302058.db2.gz FCOMOQQJPCVANQ-JOCHJYFZSA-N -1 3 460.559 6.618 50 0 JKAAHM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)ccc2oc1-c1ccccc1 ZINC000003368600 194304587 /nfs/dbraw/zinc/30/45/87/194304587.db2.gz OLACZYXAPQDDNB-UHFFFAOYSA-N -1 3 463.555 6.003 50 0 JKAAHM CCC(CC)c1nnc([N-]C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)s1 ZINC000003390813 194311223 /nfs/dbraw/zinc/31/12/23/194311223.db2.gz SGCQFIGTUZRAHS-UHFFFAOYSA-N -1 3 488.642 6.465 50 0 JKAAHM Cc1c2cc(C)c(C)cc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655634 194352473 /nfs/dbraw/zinc/35/24/73/194352473.db2.gz RWFILTQLELNVOQ-UHFFFAOYSA-N -1 3 457.913 7.241 50 0 JKAAHM CCOc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccco2)ccc1O ZINC000004643559 194393216 /nfs/dbraw/zinc/39/32/16/194393216.db2.gz IPXJVMJEWAABRQ-DEOSSOPVSA-N -1 3 479.920 5.187 50 0 JKAAHM O=C([O-])c1c(CNCc2ccccc2Cl)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009152383 194568856 /nfs/dbraw/zinc/56/88/56/194568856.db2.gz LZRZPQFVTNZDTL-UHFFFAOYSA-N -1 3 457.332 6.124 50 0 JKAAHM COc1ccccc1-c1c(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])n[nH]c1C(F)(F)F ZINC000009280999 194654377 /nfs/dbraw/zinc/65/43/77/194654377.db2.gz LFBGIZXOYVBGTF-UHFFFAOYSA-N -1 3 492.856 6.848 50 0 JKAAHM C[C@H](CC=CCc1nc2c(c(=O)[n-]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2)c1ccccc1 ZINC000009860922 195001542 /nfs/dbraw/zinc/00/15/42/195001542.db2.gz FTMSZTLTOOJIPP-TZDJWJSNSA-N -1 3 452.642 7.124 50 0 JKAAHM C[C@H](CC=CCc1nc2c(c(=O)[n-]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2)c1ccccc1 ZINC000009860920 195001581 /nfs/dbraw/zinc/00/15/81/195001581.db2.gz FTMSZTLTOOJIPP-GAEZXXIUSA-N -1 3 452.642 7.124 50 0 JKAAHM C[C@@H](CC=CCc1nc2c(c(=O)[n-]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2)c1ccccc1 ZINC000009860921 195001639 /nfs/dbraw/zinc/00/16/39/195001639.db2.gz FTMSZTLTOOJIPP-LLUYEMIMSA-N -1 3 452.642 7.124 50 0 JKAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000012756527 195108610 /nfs/dbraw/zinc/10/86/10/195108610.db2.gz SHEFKNCRGXRVEV-NQIIRXRSSA-N -1 3 489.666 5.507 50 0 JKAAHM CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c([N-]C(=O)c2ccc(Br)o2)c1 ZINC000012775313 195120314 /nfs/dbraw/zinc/12/03/14/195120314.db2.gz QTAVFFPRVQLKIO-UHFFFAOYSA-N -1 3 493.379 5.117 50 0 JKAAHM Cc1occc1-c1nnc(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)n1C ZINC000012801547 195139466 /nfs/dbraw/zinc/13/94/66/195139466.db2.gz SWRWWGCVOKLBTN-LLVKDONJSA-N -1 3 455.590 5.263 50 0 JKAAHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012866584 195161705 /nfs/dbraw/zinc/16/17/05/195161705.db2.gz KRCIQKJLGDMMCC-HNNXBMFYSA-N -1 3 469.563 5.069 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020714188 195206046 /nfs/dbraw/zinc/20/60/46/195206046.db2.gz DHSKRSJTLLONSS-MHZLTWQESA-N -1 3 490.003 5.344 50 0 JKAAHM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020717133 195206450 /nfs/dbraw/zinc/20/64/50/195206450.db2.gz HJLXVLFJHSRDMB-MHZLTWQESA-N -1 3 475.539 5.287 50 0 JKAAHM Cc1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(OCc5ccccc5)cc43)CC2)c(C)c1 ZINC000020728594 195208933 /nfs/dbraw/zinc/20/89/33/195208933.db2.gz CRWVOJOMRYAMGI-NDEPHWFRSA-N -1 3 469.585 5.312 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020729640 195209620 /nfs/dbraw/zinc/20/96/20/195209620.db2.gz FBMTVBKUBIJDPY-XMMPIXPASA-N -1 3 478.390 5.027 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020855077 195232075 /nfs/dbraw/zinc/23/20/75/195232075.db2.gz XBZMTYQWZQGTHI-NDEPHWFRSA-N -1 3 495.579 6.135 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020855077 195232077 /nfs/dbraw/zinc/23/20/77/195232077.db2.gz XBZMTYQWZQGTHI-NDEPHWFRSA-N -1 3 495.579 6.135 50 0 JKAAHM Cc1sc2[n-]c(CSc3nc4ccccc4c(=O)n3C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000021373629 195300511 /nfs/dbraw/zinc/30/05/11/195300511.db2.gz JJHJGUYDINPCRL-UHFFFAOYSA-N -1 3 488.638 5.852 50 0 JKAAHM Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000058160624 195368759 /nfs/dbraw/zinc/36/87/59/195368759.db2.gz BHFLTFCNXXCCAH-UHFFFAOYSA-N -1 3 455.587 5.086 50 0 JKAAHM COC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000096335894 130072179 /nfs/dbraw/zinc/07/21/79/130072179.db2.gz HKXAAEOGCJCZFP-MRXNPFEDSA-N -1 3 483.344 5.779 50 0 JKAAHM CC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1 ZINC000013936333 518381117 /nfs/dbraw/zinc/38/11/17/518381117.db2.gz YBKQCPBERUIRFL-UHFFFAOYSA-N -1 3 467.616 5.424 50 0 JKAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1 ZINC000033115470 519441926 /nfs/dbraw/zinc/44/19/26/519441926.db2.gz JDCYXZFSKHYTFX-UHFFFAOYSA-N -1 3 468.663 5.412 50 0 JKAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1 ZINC000033115452 519443338 /nfs/dbraw/zinc/44/33/38/519443338.db2.gz DCZLMDCEPJYJDL-UHFFFAOYSA-N -1 3 476.642 5.076 50 0 JKAAHM CC(C)CN(Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)C[C@@H](O)COc1ccccc1 ZINC000036207588 519718789 /nfs/dbraw/zinc/71/87/89/519718789.db2.gz GTVRNIVDGYZTED-GOSISDBHSA-N -1 3 498.048 5.203 50 0 JKAAHM CC(C)Oc1ccc(-c2noc(CSc3nc4c(-c5ccccc5)c[nH]c4c(=O)[n-]3)n2)cc1 ZINC000021731030 519778236 /nfs/dbraw/zinc/77/82/36/519778236.db2.gz JWBRSKOJCFOLSP-UHFFFAOYSA-N -1 3 459.531 5.460 50 0 JKAAHM CCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc1 ZINC000033138542 519900115 /nfs/dbraw/zinc/90/01/15/519900115.db2.gz CBGDKMIEFPEGFB-UHFFFAOYSA-N -1 3 469.632 5.099 50 0 JKAAHM CCCCCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Br)cc1 ZINC000002605585 520119728 /nfs/dbraw/zinc/11/97/28/520119728.db2.gz OSVMSWUEFJVHMO-FZKQIMNGSA-N -1 3 452.418 5.657 50 0 JKAAHM CCCCCn1c(=O)[n-]nc1SCc1csc(COc2ccc(C3SCCS3)cc2)n1 ZINC000012369678 520332516 /nfs/dbraw/zinc/33/25/16/520332516.db2.gz LKZGXUGRLWXYMA-UHFFFAOYSA-N -1 3 494.733 5.980 50 0 JKAAHM CCCSc1ncc(Cl)c(C(=O)[N-]c2scc(-c3ccc(C)cc3)c2C(=O)OCC)n1 ZINC000008612094 520570435 /nfs/dbraw/zinc/57/04/35/520570435.db2.gz YEECRRUPUXXVMR-UHFFFAOYSA-N -1 3 476.023 6.098 50 0 JKAAHM CCOc1ccc(-c2cc([N-]C(=O)c3ccc(Br)o3)c(C(=O)OC)s2)cc1 ZINC000020418886 520807172 /nfs/dbraw/zinc/80/71/72/520807172.db2.gz ASVZNIDKLYKHPP-UHFFFAOYSA-N -1 3 450.310 5.208 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2cccc(OC)c2)N(c2ccc(OCC)cc2)C3=O)cc1 ZINC000012411958 520813634 /nfs/dbraw/zinc/81/36/34/520813634.db2.gz MYNLPLHXYOVARK-HHHXNRCGSA-N -1 3 469.541 5.633 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2cccc(OC)c2)N(c2ccc(OCC)cc2)C3=O)cc1 ZINC000012411958 520813640 /nfs/dbraw/zinc/81/36/40/520813640.db2.gz MYNLPLHXYOVARK-HHHXNRCGSA-N -1 3 469.541 5.633 50 0 JKAAHM CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000002594775 520899090 /nfs/dbraw/zinc/89/90/90/520899090.db2.gz LZILNCBALGWOMC-UHFFFAOYSA-N -1 3 491.638 6.283 50 0 JKAAHM CCC(C)(C)[C@H]1CCc2c(c(-c3cc(OC)c([O-])c(OC)c3)nc3c(-c4ccccc4)c(C)nn32)C1 ZINC000035324696 521366922 /nfs/dbraw/zinc/36/69/22/521366922.db2.gz HYQXEYHDRFLJAQ-NRFANRHFSA-N -1 3 485.628 6.636 50 0 JKAAHM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)ccc2oc1-c1ccccc1 ZINC000008606305 521419066 /nfs/dbraw/zinc/41/90/66/521419066.db2.gz YPIGSFTXBUNAOE-UHFFFAOYSA-N -1 3 463.555 6.003 50 0 JKAAHM CCSc1nnc([N-]C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccc(C)cc2)s1 ZINC000002663471 521795742 /nfs/dbraw/zinc/79/57/42/521795742.db2.gz BZUJKEUFQMOLON-UHFFFAOYSA-N -1 3 486.626 5.920 50 0 JKAAHM COc1cc(Br)c(Br)c(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1[O-] ZINC000016194667 522021828 /nfs/dbraw/zinc/02/18/28/522021828.db2.gz AHTKWNSDOPKYJS-NTUHNPAUSA-N -1 3 485.153 5.167 50 0 JKAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000048303523 522223997 /nfs/dbraw/zinc/22/39/97/522223997.db2.gz SQJZMTBHDBAQLR-UHFFFAOYSA-N -1 3 458.967 5.043 50 0 JKAAHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195535 522465087 /nfs/dbraw/zinc/46/50/87/522465087.db2.gz VUIUMQFPOCTISN-UHFFFAOYSA-N -1 3 474.326 5.164 50 0 JKAAHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000012418761 522525583 /nfs/dbraw/zinc/52/55/83/522525583.db2.gz XCXPPUMRGHYOCI-QOHNVZPGSA-N -1 3 485.477 5.159 50 0 JKAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)c(OC)c1 ZINC000033299301 522531556 /nfs/dbraw/zinc/53/15/56/522531556.db2.gz BJUPJCMAQDRGQZ-UHFFFAOYSA-N -1 3 482.889 5.202 50 0 JKAAHM COc1ccc(-c2csc3[n-]c(CN(C[C@H](O)c4ccccc4)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206302 523174069 /nfs/dbraw/zinc/17/40/69/523174069.db2.gz KJYJXVJSKPMXML-DEOSSOPVSA-N -1 3 489.641 5.529 50 0 JKAAHM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000033116510 523183053 /nfs/dbraw/zinc/18/30/53/523183053.db2.gz VHRSMIKFRLMRHE-UHFFFAOYSA-N -1 3 461.631 5.876 50 0 JKAAHM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000033116522 523185203 /nfs/dbraw/zinc/18/52/03/523185203.db2.gz VCEIDVCGCIAFRU-UHFFFAOYSA-N -1 3 469.994 5.304 50 0 JKAAHM CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)[N-]c4c(F)cc(F)cc4Br)oc3ccc2O1 ZINC000020418273 523704274 /nfs/dbraw/zinc/70/42/74/523704274.db2.gz QTUVWSUGXMNZEU-QFIPXVFZSA-N -1 3 478.289 6.168 50 0 JKAAHM CCc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)cc1 ZINC000064930826 523980532 /nfs/dbraw/zinc/98/05/32/523980532.db2.gz ILDMEDZWMKRKSF-GOSISDBHSA-N -1 3 457.506 5.000 50 0 JKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1 ZINC000022698447 524017420 /nfs/dbraw/zinc/01/74/20/524017420.db2.gz YPHIESNFOJGESY-UHFFFAOYSA-N -1 3 473.602 5.944 50 0 JKAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000012293956 524304490 /nfs/dbraw/zinc/30/44/90/524304490.db2.gz YEPCPUNGVPEPQF-UHFFFAOYSA-N -1 3 452.576 5.245 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)c(C)c1 ZINC000033115405 524325675 /nfs/dbraw/zinc/32/56/75/524325675.db2.gz LSCHSFWDNBWAGL-UHFFFAOYSA-N -1 3 454.636 5.283 50 0 JKAAHM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc3ccccc3o2)c(OC)c1 ZINC000008603986 524661692 /nfs/dbraw/zinc/66/16/92/524661692.db2.gz CROZOFFMCURDTJ-UHFFFAOYSA-N -1 3 456.454 5.701 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3)cc2)cc1 ZINC000012370946 525081082 /nfs/dbraw/zinc/08/10/82/525081082.db2.gz ADXJBCPKYQPNMG-UHFFFAOYSA-N -1 3 473.476 5.368 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1C ZINC000017042867 525082944 /nfs/dbraw/zinc/08/29/44/525082944.db2.gz ZZENXNPNPQTWLE-UHFFFAOYSA-N -1 3 489.601 5.698 50 0 JKAAHM Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)c(C)c1 ZINC000064930807 525131389 /nfs/dbraw/zinc/13/13/89/525131389.db2.gz IDGMCNCANXSAPE-SFHVURJKSA-N -1 3 457.506 5.054 50 0 JKAAHM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2n[n-]c(-c3cccs3)n2)cc1 ZINC000016045093 525238386 /nfs/dbraw/zinc/23/83/86/525238386.db2.gz NTQLLJCZCAJULP-FQEVSTJZSA-N -1 3 475.599 5.012 50 0 JKAAHM Cc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000022744083 525245429 /nfs/dbraw/zinc/24/54/29/525245429.db2.gz PCXNGNRRDOEIKC-UHFFFAOYSA-N -1 3 499.564 5.534 50 0 JKAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000012402529 525266015 /nfs/dbraw/zinc/26/60/15/525266015.db2.gz CLMOVBXGSYWPNR-SGIRGMQISA-N -1 3 483.351 5.443 50 0 JKAAHM Cc1ccc(OCc2nnc(C(=O)[N-]c3cccc(C(=O)Nc4cc(C)ccc4C)c3)s2)cc1 ZINC000033027784 525449642 /nfs/dbraw/zinc/44/96/42/525449642.db2.gz KVOODTKNWJZRQY-UHFFFAOYSA-N -1 3 472.570 5.547 50 0 JKAAHM Cc1ccc(OCc2nnc(C(=O)[N-]c3cccc(C(=O)Nc4ccc(F)cc4C)c3)s2)cc1 ZINC000033027843 525449954 /nfs/dbraw/zinc/44/99/54/525449954.db2.gz ZTCPUXUXSFCHBM-UHFFFAOYSA-N -1 3 476.533 5.378 50 0 JKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NCCC(C)C)cn3)cc2)cc1C ZINC000065063509 525608128 /nfs/dbraw/zinc/60/81/28/525608128.db2.gz USIAOVYBLVOWIH-UHFFFAOYSA-N -1 3 467.591 5.067 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CN(C[C@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1C ZINC000036205305 525785004 /nfs/dbraw/zinc/78/50/04/525785004.db2.gz QOTFZJYDPWLAJI-JOCHJYFZSA-N -1 3 461.631 5.082 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CN(Cc4ccco4)C[C@H](O)COC(C)(C)C)nc(=O)c23)cc1C ZINC000036205265 525785537 /nfs/dbraw/zinc/78/55/37/525785537.db2.gz AEOBZUBPZXRDEG-FQEVSTJZSA-N -1 3 495.645 5.040 50 0 JKAAHM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)c(C)c5)cc4)cn3)n2)cc1 ZINC000033254924 525871994 /nfs/dbraw/zinc/87/19/94/525871994.db2.gz DIZPZHVVNXPQQL-UHFFFAOYSA-N -1 3 499.596 5.374 50 0 JKAAHM Cc1c2cc(Br)ccc2oc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000016393227 525940008 /nfs/dbraw/zinc/94/00/08/525940008.db2.gz FZAZGIKBBJUXLX-UHFFFAOYSA-N -1 3 478.368 6.039 50 0 JKAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccccc2OCCc2ccccc2)CCO1 ZINC000096117721 534900146 /nfs/dbraw/zinc/90/01/46/534900146.db2.gz QGARGWRPVRKNOW-DVECYGJZSA-N -1 3 493.629 5.115 50 0 JKAAHM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4cccc(Cl)c4)cc3Cl)sc2c1 ZINC000033289267 526242245 /nfs/dbraw/zinc/24/22/45/526242245.db2.gz OTBKCSVQONWMTG-UHFFFAOYSA-N -1 3 463.411 6.520 50 0 JKAAHM Cc1ccc(C)c(-c2csc3[n-]c(CN(C[C@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206525 526256665 /nfs/dbraw/zinc/25/66/65/526256665.db2.gz MEVVNMZLQIEJJU-QFIPXVFZSA-N -1 3 497.705 5.437 50 0 JKAAHM [O-]c1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2Cl)[nH]1 ZINC000002898867 526341144 /nfs/dbraw/zinc/34/11/44/526341144.db2.gz ARVKLYYUEQOBFE-UHFFFAOYSA-N -1 3 460.158 7.186 50 0 JKAAHM [O-]c1ccc(Br)cc1-c1nc(-c2cccc(Cl)c2Cl)c(-c2ccccc2)[nH]1 ZINC000002898867 526341150 /nfs/dbraw/zinc/34/11/50/526341150.db2.gz ARVKLYYUEQOBFE-UHFFFAOYSA-N -1 3 460.158 7.186 50 0 JKAAHM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2)c1NC(=O)C1CC1 ZINC000033171151 526461479 /nfs/dbraw/zinc/46/14/79/526461479.db2.gz DLDROMNHOAJZMJ-WCIBSUBMSA-N -1 3 475.929 5.095 50 0 JKAAHM Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2 ZINC000033287187 526734225 /nfs/dbraw/zinc/73/42/25/526734225.db2.gz POHIUJNEHCAXCU-UHFFFAOYSA-N -1 3 479.005 5.650 50 0 JKAAHM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000033299256 526861921 /nfs/dbraw/zinc/86/19/21/526861921.db2.gz HKINFKPNSGXYLL-UHFFFAOYSA-N -1 3 485.278 5.433 50 0 JKAAHM O=C1C(=O)N(c2nnc(SCc3ccccc3)[n-]2)[C@@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045928490 526959276 /nfs/dbraw/zinc/95/92/76/526959276.db2.gz NODQUBRAOVPPRD-NRFANRHFSA-N -1 3 474.973 5.808 50 0 JKAAHM O=C1C(=O)N(c2nc(SCc3ccccc3)n[n-]2)[C@@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045928490 526959282 /nfs/dbraw/zinc/95/92/82/526959282.db2.gz NODQUBRAOVPPRD-NRFANRHFSA-N -1 3 474.973 5.808 50 0 JKAAHM O=C1C(=O)N(c2n[n-]c(SCc3ccccc3)n2)[C@@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045928490 526959285 /nfs/dbraw/zinc/95/92/85/526959285.db2.gz NODQUBRAOVPPRD-NRFANRHFSA-N -1 3 474.973 5.808 50 0 JKAAHM Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cc2ccccc2cc1[O-] ZINC000016382115 527084138 /nfs/dbraw/zinc/08/41/38/527084138.db2.gz IXFCASHDKXZQSA-UHFFFAOYSA-N -1 3 458.465 5.091 50 0 JKAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000008597118 527094536 /nfs/dbraw/zinc/09/45/36/527094536.db2.gz AISARELTPFSUIR-UHFFFAOYSA-N -1 3 479.458 5.065 50 0 JKAAHM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022626411 527205450 /nfs/dbraw/zinc/20/54/50/527205450.db2.gz MEUUEFWQOCVYET-OAQYLSRUSA-N -1 3 453.011 5.502 50 0 JKAAHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004802 527209031 /nfs/dbraw/zinc/20/90/31/527209031.db2.gz WIFWTIXTBLQVIR-UHFFFAOYSA-N -1 3 471.648 5.004 50 0 JKAAHM O=S(=O)([N-]Cc1cccc(Br)c1)c1ccc(-c2cnc(C3CCCC3)o2)s1 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COc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679036 555403977 /nfs/dbraw/zinc/40/39/77/555403977.db2.gz QRAPWSFOADVPIY-DEOSSOPVSA-N -1 3 490.357 5.606 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679036 555403980 /nfs/dbraw/zinc/40/39/80/555403980.db2.gz QRAPWSFOADVPIY-DEOSSOPVSA-N -1 3 490.357 5.606 50 0 JKAAHM COc1cccc([C@@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000009679169 555404131 /nfs/dbraw/zinc/40/41/31/555404131.db2.gz PSVOCUQRIGPZJP-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM COc1cccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000009679169 555404132 /nfs/dbraw/zinc/40/41/32/555404132.db2.gz PSVOCUQRIGPZJP-XMMPIXPASA-N -1 3 474.358 5.906 50 0 JKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679152 555404264 /nfs/dbraw/zinc/40/42/64/555404264.db2.gz SCXAFGCIUSJFSA-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679152 555404267 /nfs/dbraw/zinc/40/42/67/555404267.db2.gz SCXAFGCIUSJFSA-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679278 555405320 /nfs/dbraw/zinc/40/53/20/555405320.db2.gz NTLZNEMZWAPWJQ-MHZLTWQESA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679278 555405322 /nfs/dbraw/zinc/40/53/22/555405322.db2.gz NTLZNEMZWAPWJQ-MHZLTWQESA-N -1 3 497.551 5.329 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009679308 555405430 /nfs/dbraw/zinc/40/54/30/555405430.db2.gz KIOFNWXXMVGFFB-VWLOTQADSA-N -1 3 453.498 5.017 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009679308 555405432 /nfs/dbraw/zinc/40/54/32/555405432.db2.gz KIOFNWXXMVGFFB-VWLOTQADSA-N -1 3 453.498 5.017 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009679329 555405730 /nfs/dbraw/zinc/40/57/30/555405730.db2.gz SKGHPHDHJULXPF-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009679329 555405733 /nfs/dbraw/zinc/40/57/33/555405733.db2.gz SKGHPHDHJULXPF-SANMLTNESA-N -1 3 483.524 5.020 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2OC)cc1 ZINC000009679388 555405738 /nfs/dbraw/zinc/40/57/38/555405738.db2.gz OYRCCUNCFFSLNM-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2OC)cc1 ZINC000009679388 555405740 /nfs/dbraw/zinc/40/57/40/555405740.db2.gz OYRCCUNCFFSLNM-HHHXNRCGSA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679377 555405761 /nfs/dbraw/zinc/40/57/61/555405761.db2.gz RKZDYXNZKGCEFS-AREMUKBSSA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679377 555405763 /nfs/dbraw/zinc/40/57/63/555405763.db2.gz RKZDYXNZKGCEFS-AREMUKBSSA-N -1 3 467.525 5.402 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679337 555405851 /nfs/dbraw/zinc/40/58/51/555405851.db2.gz OAGULMQPSOPTKK-VWLOTQADSA-N -1 3 471.488 5.151 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679337 555405852 /nfs/dbraw/zinc/40/58/52/555405852.db2.gz OAGULMQPSOPTKK-VWLOTQADSA-N -1 3 471.488 5.151 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000009679462 555406213 /nfs/dbraw/zinc/40/62/13/555406213.db2.gz TXZYVONKPDFBJC-SANMLTNESA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000009679462 555406216 /nfs/dbraw/zinc/40/62/16/555406216.db2.gz TXZYVONKPDFBJC-SANMLTNESA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009679472 555406442 /nfs/dbraw/zinc/40/64/42/555406442.db2.gz PTHPHFJNFMMMRR-SANMLTNESA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009679472 555406444 /nfs/dbraw/zinc/40/64/44/555406444.db2.gz PTHPHFJNFMMMRR-SANMLTNESA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679458 555406502 /nfs/dbraw/zinc/40/65/02/555406502.db2.gz TXZYVONKPDFBJC-AREMUKBSSA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679458 555406505 /nfs/dbraw/zinc/40/65/05/555406505.db2.gz TXZYVONKPDFBJC-AREMUKBSSA-N -1 3 483.524 5.108 50 0 JKAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c(OC)c1 ZINC000009685603 555414199 /nfs/dbraw/zinc/41/41/99/555414199.db2.gz PIEYVTGPBCXQBN-UHFFFAOYSA-N -1 3 476.982 5.103 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)sc2c1CCCC2 ZINC000009597891 555415032 /nfs/dbraw/zinc/41/50/32/555415032.db2.gz LVZFKKFQAJPKIF-UHFFFAOYSA-N -1 3 465.358 6.018 50 0 JKAAHM Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccccc2[O-])on1 ZINC000009597901 555415338 /nfs/dbraw/zinc/41/53/38/555415338.db2.gz ZHSJQCMCYYEWFU-UHFFFAOYSA-N -1 3 457.317 5.468 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2)cc1 ZINC000009689865 555417030 /nfs/dbraw/zinc/41/70/30/555417030.db2.gz OIBVDTRVTGHFLA-NRFANRHFSA-N -1 3 498.626 5.019 50 0 JKAAHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009712229 555435976 /nfs/dbraw/zinc/43/59/76/555435976.db2.gz MKJGWSBCWRAYAT-UHFFFAOYSA-N -1 3 495.601 5.256 50 0 JKAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000009715239 555446834 /nfs/dbraw/zinc/44/68/34/555446834.db2.gz LDWSMIMORFQNJP-UHFFFAOYSA-N -1 3 463.584 5.090 50 0 JKAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1 ZINC000009716319 555449442 /nfs/dbraw/zinc/44/94/42/555449442.db2.gz CURVRNABHFIFNU-UHFFFAOYSA-N -1 3 485.359 5.557 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3cc4ccccc4o3)c2)cc1 ZINC000009631307 555460151 /nfs/dbraw/zinc/46/01/51/555460151.db2.gz RXOSJIWPBWCIRF-UHFFFAOYSA-N -1 3 491.569 5.095 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013511413 555482961 /nfs/dbraw/zinc/48/29/61/555482961.db2.gz ILZANGSWKGGKFD-QHAWAJNXSA-N -1 3 473.743 5.698 50 0 JKAAHM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013513365 555484237 /nfs/dbraw/zinc/48/42/37/555484237.db2.gz VEZFHJVGNZZXTO-KTEAYJLESA-N -1 3 450.579 5.370 50 0 JKAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(C)c1C ZINC000009827880 555526192 /nfs/dbraw/zinc/52/61/92/555526192.db2.gz AZLUYDNIHBWIOC-UHFFFAOYSA-N -1 3 450.560 5.412 50 0 JKAAHM Cc1ccc(C2=NN(c3nc(-c4cccs4)cc(C(F)(F)F)n3)[C@@]([O-])(C(F)(F)F)C2)cc1 ZINC000013643026 555548448 /nfs/dbraw/zinc/54/84/48/555548448.db2.gz SWQMOURZLDBMPT-SFHVURJKSA-N -1 3 472.414 5.398 50 0 JKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013643078 555548723 /nfs/dbraw/zinc/54/87/23/555548723.db2.gz YYYCAKXDRYEVSG-KRWDZBQOSA-N -1 3 492.832 5.743 50 0 JKAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])NCC1(c2ccccc2)CCOCC1 ZINC000013714097 555591638 /nfs/dbraw/zinc/59/16/38/555591638.db2.gz FWRIJBHAMIRECQ-QHCPKHFHSA-N -1 3 494.429 5.541 50 0 JKAAHM O=c1nc(CSc2nnc(NC[C@H]3CCCO3)s2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000010028720 555600532 /nfs/dbraw/zinc/60/05/32/555600532.db2.gz RQHLBHKKFAGRLU-CYBMUJFWSA-N -1 3 492.051 5.040 50 0 JKAAHM Cc1cc(Cl)ccc1OCC(=O)[N-]C(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000010035130 555602824 /nfs/dbraw/zinc/60/28/24/555602824.db2.gz DHFQCESFZVABFO-UHFFFAOYSA-N -1 3 468.003 5.817 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000013748628 555607662 /nfs/dbraw/zinc/60/76/62/555607662.db2.gz GSCIUQJEBZPKDM-QHAWAJNXSA-N -1 3 473.743 5.698 50 0 JKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013749675 555608572 /nfs/dbraw/zinc/60/85/72/555608572.db2.gz GZLGLBXVRQSDAT-VWPQPMDRSA-N -1 3 453.325 5.353 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000013759168 555612213 /nfs/dbraw/zinc/61/22/13/555612213.db2.gz QUENEMRYTACVHE-UBFVSLLYSA-N -1 3 489.358 6.198 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Br)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000013769549 555614010 /nfs/dbraw/zinc/61/40/10/555614010.db2.gz ZSNSUJOGBHDYGJ-NJDAHSKKSA-N -1 3 483.749 5.154 50 0 JKAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000010077865 555615830 /nfs/dbraw/zinc/61/58/30/555615830.db2.gz GMAGEUQXJYGEIX-UHFFFAOYSA-N -1 3 498.910 5.486 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000013778786 555617758 /nfs/dbraw/zinc/61/77/58/555617758.db2.gz ARTLOQKLSBNWJP-QHAWAJNXSA-N -1 3 457.288 5.184 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000013803842 555622184 /nfs/dbraw/zinc/62/21/84/555622184.db2.gz ZYRXTCLITDHOAN-QHAWAJNXSA-N -1 3 488.849 5.290 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1c(F)cccc1Cl ZINC000013811370 555627870 /nfs/dbraw/zinc/62/78/70/555627870.db2.gz KZPNSPAEJZSXQI-NJDAHSKKSA-N -1 3 490.840 5.549 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1c(F)cccc1Cl ZINC000013811462 555628148 /nfs/dbraw/zinc/62/81/48/555628148.db2.gz DNMZZPBAOQSDOY-QHAWAJNXSA-N -1 3 490.840 5.549 50 0 JKAAHM Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000013858085 555636151 /nfs/dbraw/zinc/63/61/51/555636151.db2.gz CMNZUUITNJMTNT-UHFFFAOYSA-N -1 3 485.031 5.234 50 0 JKAAHM C[C@H]1CCc2c(sc3nc(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)[n-]c(=O)c23)C1 ZINC000013894717 555642193 /nfs/dbraw/zinc/64/21/93/555642193.db2.gz VNPSCOLCQVMGFI-ZDUSSCGKSA-N -1 3 471.409 6.662 50 0 JKAAHM CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1 ZINC000013936304 555649006 /nfs/dbraw/zinc/64/90/06/555649006.db2.gz CBQVHLCNYYGXPQ-GOSISDBHSA-N -1 3 481.687 6.735 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000013936381 555649188 /nfs/dbraw/zinc/64/91/88/555649188.db2.gz GXYOQFVJXJQSAG-UHFFFAOYSA-N -1 3 482.414 5.612 50 0 JKAAHM [O-]c1c(-c2nc3c4c5c(sc4ncn3n2)CN(Cc2ccccc2)CC5)ccc2ccccc21 ZINC000020131326 555656483 /nfs/dbraw/zinc/65/64/83/555656483.db2.gz YLMIRMDPUDZWEE-UHFFFAOYSA-N -1 3 463.566 5.423 50 0 JKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc(-c2ccc(Br)cc2)on1 ZINC000020137428 555660975 /nfs/dbraw/zinc/66/09/75/555660975.db2.gz PNICKALTUWSEMA-UHFFFAOYSA-N -1 3 458.056 5.397 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(Br)cc3)on2)sc2c1CCCC2 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/nfs/dbraw/zinc/74/61/04/555746104.db2.gz CFCKLCBZDBZMBV-SJORKVTESA-N -1 3 463.628 5.193 50 0 JKAAHM COC(=O)c1cc([C@@H](C)c2ccccc2)sc1[N-]C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000020551440 555807511 /nfs/dbraw/zinc/80/75/11/555807511.db2.gz VJNDQLCCTWQJAN-HNNXBMFYSA-N -1 3 462.527 5.602 50 0 JKAAHM COC(=O)c1sc2nc(CN3CCC[C@H](C)C3)ccc2c1[N-]C(=O)c1c(F)cccc1Cl ZINC000011787099 555820890 /nfs/dbraw/zinc/82/08/90/555820890.db2.gz RBXLNBQDOMWAMJ-ZDUSSCGKSA-N -1 3 475.973 5.360 50 0 JKAAHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000011859573 555838953 /nfs/dbraw/zinc/83/89/53/555838953.db2.gz POLMJDIEAXQIPX-FSSWDIPSSA-N -1 3 484.499 5.478 50 0 JKAAHM Cc1noc(-c2ccc(OCc3ccc(C)cc3)cc2[O-])c1-c1ccc(Br)cc1 ZINC000011866361 555841872 /nfs/dbraw/zinc/84/18/72/555841872.db2.gz XNFUTZNUQZVCJY-UHFFFAOYSA-N -1 3 450.332 6.673 50 0 JKAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[O-])nnc2-c2cc3ccccc3o2)cc1 ZINC000015018947 555859608 /nfs/dbraw/zinc/85/96/08/555859608.db2.gz XYERNYOTEZKTHF-UHFFFAOYSA-N -1 3 456.527 5.425 50 0 JKAAHM Cc1c2cc(Br)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000011913975 555864138 /nfs/dbraw/zinc/86/41/38/555864138.db2.gz BWDGPXWEGLPFFV-UHFFFAOYSA-N -1 3 456.296 5.593 50 0 JKAAHM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022027256 555864211 /nfs/dbraw/zinc/86/42/11/555864211.db2.gz GWCKRJRTGQZBJK-AREMUKBSSA-N -1 3 495.652 5.301 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000012040122 555892912 /nfs/dbraw/zinc/89/29/12/555892912.db2.gz XUZZZNUJNTXMGT-UHFFFAOYSA-N -1 3 472.566 5.267 50 0 JKAAHM COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccc([O-])c(Cl)c3)C2)cc1 ZINC000012058206 555899141 /nfs/dbraw/zinc/89/91/41/555899141.db2.gz RFLFASDGHWWOFX-HXUWFJFHSA-N -1 3 450.966 5.572 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)sc2c1CCC2 ZINC000012062587 555900234 /nfs/dbraw/zinc/90/02/34/555900234.db2.gz CHMGTXRVGPDLBL-UHFFFAOYSA-N -1 3 488.034 5.710 50 0 JKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(Br)cc3c2C)cc1 ZINC000012111518 555908365 /nfs/dbraw/zinc/90/83/65/555908365.db2.gz UQPGIWWQIOVXDJ-UHFFFAOYSA-N -1 3 456.296 5.595 50 0 JKAAHM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012323184 555953132 /nfs/dbraw/zinc/95/31/32/555953132.db2.gz QXBONRVKVSCKDP-SANMLTNESA-N -1 3 475.976 5.348 50 0 JKAAHM O=S(=O)([N-]c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1)Oc1ccc(F)cc1 ZINC000012377090 555965415 /nfs/dbraw/zinc/96/54/15/555965415.db2.gz WTNCMWCGCZNCOP-UHFFFAOYSA-N -1 3 477.439 5.433 50 0 JKAAHM CCc1ccc(-c2nc(S[C@H](C)c3nc(=O)c4c(-c5cccs5)csc4[n-]3)n[nH]2)cc1 ZINC000023040005 556001044 /nfs/dbraw/zinc/00/10/44/556001044.db2.gz SUHZRZABHPURSU-GFCCVEGCSA-N -1 3 465.629 5.914 50 0 JKAAHM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157736 556026139 /nfs/dbraw/zinc/02/61/39/556026139.db2.gz WRNSLZRRGPDKQR-OAQYLSRUSA-N -1 3 453.011 5.502 50 0 JKAAHM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157733 556026249 /nfs/dbraw/zinc/02/62/49/556026249.db2.gz WRNSLZRRGPDKQR-NRFANRHFSA-N -1 3 453.011 5.502 50 0 JKAAHM COc1ccc2c(C)cc(SCc3nc(=O)c4c(-c5cccs5)csc4[n-]3)nc2c1 ZINC000012549136 556028672 /nfs/dbraw/zinc/02/86/72/556028672.db2.gz KKWNGNUBBKGWJG-UHFFFAOYSA-N -1 3 451.598 5.871 50 0 JKAAHM COc1cccc([C@H](c2oc3ccccc3c2[N-]C(=O)c2ccco2)N2CCCCC2)c1OC ZINC000015859355 556029455 /nfs/dbraw/zinc/02/94/55/556029455.db2.gz VTVDHGVWCRHBTF-XMMPIXPASA-N -1 3 460.530 5.871 50 0 JKAAHM Cn1cc(Cc2nnc([N-]C(=O)c3ccc(CSCc4ccccc4F)o3)s2)c2ccccc21 ZINC000015863416 556037798 /nfs/dbraw/zinc/03/77/98/556037798.db2.gz YVQKOYBMGOXLRW-UHFFFAOYSA-N -1 3 492.601 6.038 50 0 JKAAHM O=C(C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000023336431 556046535 /nfs/dbraw/zinc/04/65/35/556046535.db2.gz LRKUTWUNTKKZKA-MHZLTWQESA-N -1 3 484.983 5.197 50 0 JKAAHM O=C(C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000023336429 556046561 /nfs/dbraw/zinc/04/65/61/556046561.db2.gz LRKUTWUNTKKZKA-HHHXNRCGSA-N -1 3 484.983 5.197 50 0 JKAAHM O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000012558812 556048848 /nfs/dbraw/zinc/04/88/48/556048848.db2.gz UECXKFZWXVKCGO-UHFFFAOYSA-N -1 3 459.011 5.686 50 0 JKAAHM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000015870483 556050073 /nfs/dbraw/zinc/05/00/73/556050073.db2.gz AAECFGZGNZKOMO-UHFFFAOYSA-N -1 3 461.631 5.841 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1Cl ZINC000015870703 556050534 /nfs/dbraw/zinc/05/05/34/556050534.db2.gz ALODQHNDZDMSLO-UHFFFAOYSA-N -1 3 455.967 5.119 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1Cl ZINC000015870703 556050538 /nfs/dbraw/zinc/05/05/38/556050538.db2.gz ALODQHNDZDMSLO-UHFFFAOYSA-N -1 3 455.967 5.119 50 0 JKAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1 ZINC000015870809 556050955 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Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCCC2)n1 ZINC000064801888 569631618 /nfs/dbraw/zinc/63/16/18/569631618.db2.gz ZUFLSXZBCYOZMJ-UHFFFAOYSA-N -1 3 473.602 5.473 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c(C)c1 ZINC000064802127 569631887 /nfs/dbraw/zinc/63/18/87/569631887.db2.gz AQZBRWMOLQFEAS-UHFFFAOYSA-N -1 3 465.623 5.245 50 0 JKAAHM Cc1ccc(-c2nc3ccccc3n2CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000064888046 569641806 /nfs/dbraw/zinc/64/18/06/569641806.db2.gz PAWQRZKLLKYCCM-UHFFFAOYSA-N -1 3 460.386 5.297 50 0 JKAAHM CC(C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)nc1 ZINC000065063443 569656576 /nfs/dbraw/zinc/65/65/76/569656576.db2.gz OYDPIQIQERLYNJ-UHFFFAOYSA-N -1 3 493.629 5.861 50 0 JKAAHM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)nc1 ZINC000065063483 569656596 /nfs/dbraw/zinc/65/65/96/569656596.db2.gz NIYDAINVWUADGC-UHFFFAOYSA-N -1 3 493.629 5.474 50 0 JKAAHM 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CCOC(=O)c1sc2nc(-c3cc(OC)c([O-])c(OC)c3)c(NCc3ccc(F)cc3)n2c1C ZINC000065315852 569672967 /nfs/dbraw/zinc/67/29/67/569672967.db2.gz UZRPIVUPTRUQKE-UHFFFAOYSA-N -1 3 485.537 5.022 50 0 JKAAHM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1c1ccccc1 ZINC000035351277 569681644 /nfs/dbraw/zinc/68/16/44/569681644.db2.gz QHEUTGSTBAFPIA-SXWKCWPCSA-N -1 3 474.866 5.361 50 0 JKAAHM COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000035615951 569705535 /nfs/dbraw/zinc/70/55/35/569705535.db2.gz YKONLKQERXHDQV-UHFFFAOYSA-N -1 3 454.324 5.539 50 0 JKAAHM [O-]c1ccc(Br)cc1-c1nc2cnccn2c1Nc1ccc(Br)cc1 ZINC000035622712 569705552 /nfs/dbraw/zinc/70/55/52/569705552.db2.gz MBYLPRZJVACXNX-UHFFFAOYSA-N -1 3 460.129 5.371 50 0 JKAAHM COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000035615964 569705638 /nfs/dbraw/zinc/70/56/38/569705638.db2.gz ZQXTUUHRJSPBGH-UHFFFAOYSA-N -1 3 474.742 5.884 50 0 JKAAHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccccc4)c(NC(=O)c4ccccc4)s3)no2)cc1 ZINC000035671711 569706178 /nfs/dbraw/zinc/70/61/78/569706178.db2.gz LIIOALCBPGSDTK-UHFFFAOYSA-N -1 3 480.549 6.278 50 0 JKAAHM CC(C)c1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079188537 569707009 /nfs/dbraw/zinc/70/70/09/569707009.db2.gz SBDJBSCAMUHVMW-MEZORWJESA-N -1 3 490.596 6.438 50 0 JKAAHM CC(C)c1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079188527 569707040 /nfs/dbraw/zinc/70/70/40/569707040.db2.gz SBDJBSCAMUHVMW-HJVSESQNSA-N -1 3 490.596 6.438 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc2c(c1)OCO2)CC(=O)O3 ZINC000079188706 569707090 /nfs/dbraw/zinc/70/70/90/569707090.db2.gz CINYCWKQJMPHMI-ZLGIQDIYSA-N -1 3 492.524 5.044 50 0 JKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1O ZINC000079192359 569707127 /nfs/dbraw/zinc/70/71/27/569707127.db2.gz VCMBEXOPWDHANP-ZRVHFQGWSA-N -1 3 494.540 5.029 50 0 JKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1O ZINC000079190642 569707188 /nfs/dbraw/zinc/70/71/88/569707188.db2.gz YYYNXPWXUTUFAG-HEOSOXGZSA-N -1 3 494.540 5.029 50 0 JKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079193664 569707322 /nfs/dbraw/zinc/70/73/22/569707322.db2.gz LGQYJBOHKNIAPF-HGALLEHASA-N -1 3 478.541 5.324 50 0 JKAAHM COc1cccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079196146 569707327 /nfs/dbraw/zinc/70/73/27/569707327.db2.gz HOKYOKFKIBBOLE-QZQHEABXSA-N -1 3 478.541 5.324 50 0 JKAAHM Cc1c(-c2ccccc2)c(=O)nc(/C=C\c2cc(Br)ccc2[O-])n1-c1ccccc1 ZINC000083295036 569708392 /nfs/dbraw/zinc/70/83/92/569708392.db2.gz GAKFNBVKYZIZLN-QINSGFPZSA-N -1 3 459.343 5.846 50 0 JKAAHM Cc1occc1-c1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)n1Cc1ccccc1 ZINC000089544235 569718756 /nfs/dbraw/zinc/71/87/56/569718756.db2.gz HYQDNZTZRAPOKQ-UHFFFAOYSA-N -1 3 469.526 5.170 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)c(C)c1 ZINC000035910272 569725558 /nfs/dbraw/zinc/72/55/58/569725558.db2.gz CAIZWQVSAUQSAM-DEOSSOPVSA-N -1 3 470.591 5.330 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)c(C)c1 ZINC000035910524 569725829 /nfs/dbraw/zinc/72/58/29/569725829.db2.gz QREGROJZIJTWGG-MHZLTWQESA-N -1 3 494.682 6.315 50 0 JKAAHM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000035910974 569726227 /nfs/dbraw/zinc/72/62/27/569726227.db2.gz UGUZDDDHDFABIH-RUZDIDTESA-N -1 3 466.628 5.500 50 0 JKAAHM CCc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000035912523 569727652 /nfs/dbraw/zinc/72/76/52/569727652.db2.gz SIHLACAQLWPEPE-SANMLTNESA-N -1 3 480.655 5.754 50 0 JKAAHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072934 569750215 /nfs/dbraw/zinc/75/02/15/569750215.db2.gz ZRPBPXODYXWBSD-UHFFFAOYSA-N -1 3 482.627 5.941 50 0 JKAAHM CCC(CC)C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)[C@@H](C)CC ZINC000035945533 569732811 /nfs/dbraw/zinc/73/28/11/569732811.db2.gz KBRFZZWCOJVLOG-IBGZPJMESA-N -1 3 489.682 5.125 50 0 JKAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)SCC(=O)N2 ZINC000096118224 569735951 /nfs/dbraw/zinc/73/59/51/569735951.db2.gz DKNBIFZSWJYVFE-QFIPXVFZSA-N -1 3 467.616 5.011 50 0 JKAAHM COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c2ccccc12 ZINC000096221329 569738884 /nfs/dbraw/zinc/73/88/84/569738884.db2.gz HRVLJPJEXIDJET-QFIPXVFZSA-N -1 3 464.473 5.768 50 0 biogenic JKAAHM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072962 569750188 /nfs/dbraw/zinc/75/01/88/569750188.db2.gz HJYBXQQPOFOEEA-UHFFFAOYSA-N -1 3 477.071 5.170 50 0 JKAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072735 569750263 /nfs/dbraw/zinc/75/02/63/569750263.db2.gz GPKYSDCVKQHGEF-UHFFFAOYSA-N -1 3 477.071 5.170 50 0 JKAAHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072862 569750283 /nfs/dbraw/zinc/75/02/83/569750283.db2.gz RBKCKNUNZNQCGC-UHFFFAOYSA-N -1 3 493.526 5.685 50 0 JKAAHM CSc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100885090 569774240 /nfs/dbraw/zinc/77/42/40/569774240.db2.gz POLMJDIEAXQIPX-VSKRKVRLSA-N -1 3 484.499 5.478 50 0 JKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101040563 569780417 /nfs/dbraw/zinc/78/04/17/569780417.db2.gz UQKHXXIFTXJVDW-BDTNDASRSA-N -1 3 453.325 5.353 50 0 JKAAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000101071530 569781250 /nfs/dbraw/zinc/78/12/50/569781250.db2.gz HKAVCYDERWECLQ-LJQANCHMSA-N -1 3 464.363 6.191 50 0 JKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101078976 569781824 /nfs/dbraw/zinc/78/18/24/569781824.db2.gz GZLGLBXVRQSDAT-SJBKTWHCSA-N -1 3 453.325 5.353 50 0 JKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101130153 569784054 /nfs/dbraw/zinc/78/40/54/569784054.db2.gz DIDRDADLVCXBRP-NXCFDTQHSA-N -1 3 490.531 5.064 50 0 JKAAHM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101153901 569784727 /nfs/dbraw/zinc/78/47/27/569784727.db2.gz FWTOXAOGUDVTRJ-IARZGTGTSA-N -1 3 476.576 6.188 50 0 JKAAHM CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101181267 569786323 /nfs/dbraw/zinc/78/63/23/569786323.db2.gz BTIOOIGGHNJAGI-BDTNDASRSA-N -1 3 450.947 5.113 50 0 JKAAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2)c1ccco1 ZINC000101836872 569805983 /nfs/dbraw/zinc/80/59/83/569805983.db2.gz RVSGOBNTJJFLSP-GOSISDBHSA-N -1 3 452.301 5.486 50 0 JKAAHM Cc1[nH]nc(-c2ccc(OCCN3CCN(c4ccc(F)cc4)CC3)cc2[O-])c1-c1ccccc1 ZINC000039354656 569809440 /nfs/dbraw/zinc/80/94/40/569809440.db2.gz LWTGENALVTVGIR-UHFFFAOYSA-N -1 3 472.564 5.098 50 0 JKAAHM COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc4c(c3)OCO4)n2)c([O-])c1 ZINC000039959737 569812575 /nfs/dbraw/zinc/81/25/75/569812575.db2.gz KCOBFZVWMFVSSY-IBGZPJMESA-N -1 3 477.567 5.670 50 0 JKAAHM COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc4c(c3)OCO4)n2)c([O-])c1 ZINC000039959738 569812585 /nfs/dbraw/zinc/81/25/85/569812585.db2.gz KCOBFZVWMFVSSY-LJQANCHMSA-N -1 3 477.567 5.670 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000102663122 569815307 /nfs/dbraw/zinc/81/53/07/569815307.db2.gz ARTLOQKLSBNWJP-PWRODBHTSA-N -1 3 457.288 5.184 50 0 JKAAHM COc1cc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000102673154 569815403 /nfs/dbraw/zinc/81/54/03/569815403.db2.gz RWHPNQPTIHXIRZ-QFIPXVFZSA-N -1 3 473.529 5.362 50 0 JKAAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000102678401 569815638 /nfs/dbraw/zinc/81/56/38/569815638.db2.gz WPWVBWOGSHDDGV-IBGZPJMESA-N -1 3 453.464 6.447 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1Cl ZINC000102693816 569816019 /nfs/dbraw/zinc/81/60/19/569816019.db2.gz UEOMMGWREDPZEA-YPAWHYETSA-N -1 3 497.776 5.462 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1Cl ZINC000102702896 569816211 /nfs/dbraw/zinc/81/62/11/569816211.db2.gz ONSLCKWIYPZTSG-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706253 569816344 /nfs/dbraw/zinc/81/63/44/569816344.db2.gz HYGAUVLNAWWTMG-KCZVDYSFSA-N -1 3 469.324 5.053 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706544 569816708 /nfs/dbraw/zinc/81/67/08/569816708.db2.gz COTZMDSNSBKJSY-CCDWMCETSA-N -1 3 489.358 6.198 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3Cc2ccccc2)cc1 ZINC000102724430 569817466 /nfs/dbraw/zinc/81/74/66/569817466.db2.gz IPFLJDRUQGGQBC-ZONZVBGPSA-N -1 3 470.569 5.177 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102725756 569817749 /nfs/dbraw/zinc/81/77/49/569817749.db2.gz DRCQQQVMZQACSR-FDFHNCONSA-N -1 3 453.325 5.353 50 0 JKAAHM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102727110 569817808 /nfs/dbraw/zinc/81/78/08/569817808.db2.gz XQOMMHZCPXMMNP-DNVJHFABSA-N -1 3 499.350 5.062 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000102727449 569817836 /nfs/dbraw/zinc/81/78/36/569817836.db2.gz ZJEZDPAHFJVQDT-KMDXXIMOSA-N -1 3 462.571 5.368 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000102727681 569817941 /nfs/dbraw/zinc/81/79/41/569817941.db2.gz ATXDEDKBOFKTTG-CCDWMCETSA-N -1 3 460.505 5.056 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000102731607 569818047 /nfs/dbraw/zinc/81/80/47/569818047.db2.gz TUEBVZMUJOZKPU-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102731218 569818117 /nfs/dbraw/zinc/81/81/17/569818117.db2.gz NVTAQODLHBKFID-KMDXXIMOSA-N -1 3 497.378 5.833 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102731220 569818130 /nfs/dbraw/zinc/81/81/30/569818130.db2.gz NVTAQODLHBKFID-TZRRMPRUSA-N -1 3 497.378 5.833 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1 ZINC000102734248 569818389 /nfs/dbraw/zinc/81/83/89/569818389.db2.gz BLEWUOTVXDZSIJ-KMDXXIMOSA-N -1 3 462.933 5.180 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102733080 569818463 /nfs/dbraw/zinc/81/84/63/569818463.db2.gz MBCNFBVUAFGFST-RJGXRXQPSA-N -1 3 473.891 5.078 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102736738 569818720 /nfs/dbraw/zinc/81/87/20/569818720.db2.gz XHYRUJWPXZAJNZ-PCCBWWKXSA-N -1 3 457.288 5.184 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102738726 569818995 /nfs/dbraw/zinc/81/89/95/569818995.db2.gz BKYIARLKJGAZHF-CCDWMCETSA-N -1 3 489.358 6.198 50 0 JKAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102741770 569819169 /nfs/dbraw/zinc/81/91/69/569819169.db2.gz IGYJUWUTOCSWLQ-BHIFYINESA-N -1 3 453.325 5.353 50 0 JKAAHM COc1cc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccc(Cl)cc4)CC(=O)C32)cc(OC)c1OC ZINC000102749296 569820608 /nfs/dbraw/zinc/82/06/08/569820608.db2.gz BWPQHDCQTMSJAO-ZSEKCTLFSA-N -1 3 482.924 5.378 50 0 JKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102749394 569820690 /nfs/dbraw/zinc/82/06/90/569820690.db2.gz DIDRDADLVCXBRP-TWJOJJKGSA-N -1 3 490.531 5.064 50 0 JKAAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102758064 569821463 /nfs/dbraw/zinc/82/14/63/569821463.db2.gz IXBALEIDQQGARE-BHDDXSALSA-N -1 3 469.324 5.053 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2C)cc1 ZINC000102762684 569822497 /nfs/dbraw/zinc/82/24/97/569822497.db2.gz YLBGUIGLMBCHGJ-UODIDJSMSA-N -1 3 456.542 5.143 50 0 JKAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000102764521 569822719 /nfs/dbraw/zinc/82/27/19/569822719.db2.gz XXABJDWWKJLUQA-BHIFYINESA-N -1 3 469.324 5.053 50 0 JKAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000102764518 569822725 /nfs/dbraw/zinc/82/27/25/569822725.db2.gz XXABJDWWKJLUQA-FDFHNCONSA-N -1 3 469.324 5.053 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000102765965 569822893 /nfs/dbraw/zinc/82/28/93/569822893.db2.gz PINIHTSUYLLQKH-RJGXRXQPSA-N -1 3 450.897 5.147 50 0 JKAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(=O)oc2ccccc2c1NCC1CCCCC1 ZINC000045961076 569840983 /nfs/dbraw/zinc/84/09/83/569840983.db2.gz SJBGTQCXNGXFSC-UHFFFAOYSA-N -1 3 476.982 5.248 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000104824281 569846479 /nfs/dbraw/zinc/84/64/79/569846479.db2.gz QATBSUGUSYASKQ-RNODOKPDSA-N -1 3 470.392 5.545 50 0 JKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000135779579 569864466 /nfs/dbraw/zinc/86/44/66/569864466.db2.gz VAWKIFVVJANQRK-BHDDXSALSA-N -1 3 469.324 5.053 50 0 JKAAHM Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000137605785 569865093 /nfs/dbraw/zinc/86/50/93/569865093.db2.gz YFEBEVINXQOVED-FDFHNCONSA-N -1 3 497.776 5.462 50 0 JKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000137838185 569865317 /nfs/dbraw/zinc/86/53/17/569865317.db2.gz SCDMWIVARPGQQM-BHDDXSALSA-N -1 3 497.776 5.462 50 0 JKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137838240 569865346 /nfs/dbraw/zinc/86/53/46/569865346.db2.gz DIDRDADLVCXBRP-JIMJEQGWSA-N -1 3 490.531 5.064 50 0 JKAAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000137882512 569865485 /nfs/dbraw/zinc/86/54/85/569865485.db2.gz IXBALEIDQQGARE-FDFHNCONSA-N -1 3 469.324 5.053 50 0 JKAAHM CCOC(=O)Nc1sc([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)nc1-c1ccc(C)cc1 ZINC000170623701 569873291 /nfs/dbraw/zinc/87/32/91/569873291.db2.gz RCKKJNWOIJYRHU-UHFFFAOYSA-N -1 3 478.530 5.603 50 0 JKAAHM CCOC(=O)Nc1sc([N-]C(=O)c2cc(-c3ccc(C)cc3)on2)nc1-c1ccc(C)cc1 ZINC000170623700 569873297 /nfs/dbraw/zinc/87/32/97/569873297.db2.gz CBWHOPLEBMGNKN-UHFFFAOYSA-N -1 3 462.531 5.903 50 0 JKAAHM CCOC(=O)Nc1sc([N-]C(=O)c2cc(-c3cccs3)on2)nc1-c1ccc(C)cc1 ZINC000170623706 569873303 /nfs/dbraw/zinc/87/33/03/569873303.db2.gz RNPPAOJKMHESNE-UHFFFAOYSA-N -1 3 454.533 5.656 50 0 JKAAHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000170626721 569873388 /nfs/dbraw/zinc/87/33/88/569873388.db2.gz XHLFDSIVLIXIJJ-CQSZACIVSA-N -1 3 481.426 5.914 50 0 JKAAHM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1n[n-]c(-c2ccccc2)c1Br ZINC000195693696 569873641 /nfs/dbraw/zinc/87/36/41/569873641.db2.gz 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O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003270092 194257866 /nfs/dbraw/zinc/25/78/66/194257866.db2.gz AZFVISSZSZWXLU-UHFFFAOYSA-N -1 3 463.869 5.219 50 0 JKAAHM CCc1cc2c(CSc3nc4scc(-c5ccc(F)cc5)c4c(=O)n3C)cc(=O)oc2cc1[O-] ZINC000003433177 194323169 /nfs/dbraw/zinc/32/31/69/194323169.db2.gz XNUQGDPYFQROJC-UHFFFAOYSA-N -1 3 494.569 5.468 50 0 JKAAHM O=c1nc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)[n-]c2scc(-c3ccccc3)c21 ZINC000003422065 194319066 /nfs/dbraw/zinc/31/90/66/194319066.db2.gz VPYWJQPEHAPKMA-UHFFFAOYSA-N -1 3 497.605 5.844 50 0 JKAAHM C[C@H](Nc1cc(Cl)ccc1Sc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000003476712 194331336 /nfs/dbraw/zinc/33/13/36/194331336.db2.gz LYTFVSLPTLZLFU-GJZGRUSLSA-N -1 3 482.074 7.087 50 0 JKAAHM C[C@@H](Nc1cc(Cl)ccc1Sc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000003476709 194331417 /nfs/dbraw/zinc/33/14/17/194331417.db2.gz LYTFVSLPTLZLFU-HUUCEWRRSA-N -1 3 482.074 7.087 50 0 JKAAHM COc1ccc(CCNC(=O)C[C@H](c2ccccc2)c2cc(Br)ccc2[O-])cc1OC ZINC000003633577 194344971 /nfs/dbraw/zinc/34/49/71/194344971.db2.gz ZICXPYRKXVVYRC-HXUWFJFHSA-N -1 3 484.390 5.053 50 0 biogenic JKAAHM CC(C)(C(=O)[O-])c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000004215193 194385153 /nfs/dbraw/zinc/38/51/53/194385153.db2.gz XGHOVGYJHWQGCC-UHFFFAOYSA-N -1 3 499.651 6.282 50 0 investigational JKAAHM CCOc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccccc2)ccc1O ZINC000004643558 194393274 /nfs/dbraw/zinc/39/32/74/194393274.db2.gz DEIGZNBCTYENKE-SANMLTNESA-N -1 3 489.959 5.594 50 0 JKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(Oc4ccccc4)c2)N(CCO)C3=O)cc1Cl ZINC000009243012 194627893 /nfs/dbraw/zinc/62/78/93/194627893.db2.gz WCZVPZXHZVGQAN-VWLOTQADSA-N -1 3 475.932 5.074 50 0 JKAAHM CCOC(=O)c1ccc([N-]c2nnc(-c3cc4ccc(N(CC)CC)cc4oc3=O)s2)cc1 ZINC000009600612 194802649 /nfs/dbraw/zinc/80/26/49/194802649.db2.gz VJADHMJXMJJIFS-UHFFFAOYSA-N -1 3 464.547 5.078 50 0 biogenic JKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000009679022 194884006 /nfs/dbraw/zinc/88/40/06/194884006.db2.gz LPUFMTDEMFWHJA-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000009679022 194884008 /nfs/dbraw/zinc/88/40/08/194884008.db2.gz LPUFMTDEMFWHJA-RUZDIDTESA-N -1 3 459.933 5.806 50 0 JKAAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000009678980 194884090 /nfs/dbraw/zinc/88/40/90/194884090.db2.gz VAPVVKZMILRUSW-QFIPXVFZSA-N -1 3 480.749 5.948 50 0 JKAAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000009678980 194884092 /nfs/dbraw/zinc/88/40/92/194884092.db2.gz VAPVVKZMILRUSW-QFIPXVFZSA-N -1 3 480.749 5.948 50 0 JKAAHM Cc1c(CNCc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000009746915 194940285 /nfs/dbraw/zinc/94/02/85/194940285.db2.gz IGTUDBHANNTGLH-UHFFFAOYSA-N -1 3 461.787 5.557 50 0 JKAAHM CN1c2ccccc2C(C)(C)[C@@]12Cc1cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc1O2 ZINC000009861231 195001795 /nfs/dbraw/zinc/00/17/95/195001795.db2.gz LTFGQJPVHMDLGI-DEOSSOPVSA-N -1 3 499.430 5.309 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)nc(=O)c2c1C ZINC000009910289 195021271 /nfs/dbraw/zinc/02/12/71/195021271.db2.gz LRFLGKQSWORXRC-SECBINFHSA-N -1 3 472.617 5.024 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(Nc5ccccc5)s4)nc(=O)c23)s1 ZINC000012610249 195054049 /nfs/dbraw/zinc/05/40/49/195054049.db2.gz NBWVFARRUPLYCB-UHFFFAOYSA-N -1 3 469.642 5.909 50 0 JKAAHM Cc1cccc(Nc2nnc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)s2)c1 ZINC000012610247 195054062 /nfs/dbraw/zinc/05/40/62/195054062.db2.gz NXWVXZIGMZBOKE-UHFFFAOYSA-N -1 3 463.613 5.847 50 0 JKAAHM O=C([O-])c1c(CNCc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009969056 195042136 /nfs/dbraw/zinc/04/21/36/195042136.db2.gz YJFHNKAPLPUGAJ-UHFFFAOYSA-N -1 3 466.896 5.199 50 0 JKAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)ccc2C)cc1 ZINC000012631081 195063106 /nfs/dbraw/zinc/06/31/06/195063106.db2.gz FEYPKKBWOPDZOA-KRWDZBQOSA-N -1 3 495.626 5.247 50 0 JKAAHM Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3Cl)c2)c1 ZINC000012682342 195084617 /nfs/dbraw/zinc/08/46/17/195084617.db2.gz SHGMFBLTTIVVMG-UHFFFAOYSA-N -1 3 497.831 5.994 50 0 JKAAHM Cc1c([O-])ccc2c(CSc3nnc(Cc4cccs4)n3CCc3ccccc3)cc(=O)oc12 ZINC000012743841 195101954 /nfs/dbraw/zinc/10/19/54/195101954.db2.gz GZCSJGCHUKQBTJ-UHFFFAOYSA-N -1 3 489.622 5.586 50 0 JKAAHM CCOc1cc2c(cc1CN[C@@H](C)c1nc(=O)c3c(-c4cccs4)csc3[n-]1)O[C@H](C)C2 ZINC000012769827 195116661 /nfs/dbraw/zinc/11/66/61/195116661.db2.gz CZXNSCWUBBGTJO-KGLIPLIRSA-N -1 3 467.616 5.286 50 0 JKAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(-c5cc(C)cc(C)c5)o4)nc(=O)c23)s1 ZINC000012795105 195135293 /nfs/dbraw/zinc/13/52/93/195135293.db2.gz KDLAXBGBJZWPFE-UHFFFAOYSA-N -1 3 466.613 5.981 50 0 JKAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)ccc1F ZINC000012796044 195136016 /nfs/dbraw/zinc/13/60/16/195136016.db2.gz DSDBZXNFPBDNBX-UHFFFAOYSA-N -1 3 469.925 5.318 50 0 JKAAHM O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012822252 195149850 /nfs/dbraw/zinc/14/98/50/195149850.db2.gz JVAPSURVYAZOMM-LJQANCHMSA-N -1 3 491.352 5.035 50 0 JKAAHM COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)[N-]c3ccccc3SC)c2n1 ZINC000012845395 195151910 /nfs/dbraw/zinc/15/19/10/195151910.db2.gz BLNJZSIZHRMKIS-UHFFFAOYSA-N -1 3 458.465 5.398 50 0 JKAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000012845104 195152005 /nfs/dbraw/zinc/15/20/05/195152005.db2.gz SMXJIABBRQTHRS-UTKZUKDTSA-N -1 3 475.639 5.637 50 0 JKAAHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012866576 195161658 /nfs/dbraw/zinc/16/16/58/195161658.db2.gz KRCIQKJLGDMMCC-OAHLLOKOSA-N -1 3 469.563 5.069 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020676315 195200710 /nfs/dbraw/zinc/20/07/10/195200710.db2.gz GOEBORXMKSJKPH-AREMUKBSSA-N -1 3 459.977 5.354 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020677845 195202602 /nfs/dbraw/zinc/20/26/02/195202602.db2.gz DWFLHTPHKKIACG-AREMUKBSSA-N -1 3 495.957 5.632 50 0 JKAAHM Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(OCc5ccccc5)cc43)CC2)c(C)c1 ZINC000020728590 195208970 /nfs/dbraw/zinc/20/89/70/195208970.db2.gz CRWVOJOMRYAMGI-MUUNZHRXSA-N -1 3 469.585 5.312 50 0 JKAAHM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020730213 195209561 /nfs/dbraw/zinc/20/95/61/195209561.db2.gz QGEJSCIFNKCLFP-XMMPIXPASA-N -1 3 478.390 5.027 50 0 JKAAHM Cc1sc2[n-]c(CSc3nnc4sc5ccccc5n34)nc(=O)c2c1-c1ccc(C)cc1 ZINC000021243926 195292166 /nfs/dbraw/zinc/29/21/66/195292166.db2.gz JEAUREVSWGXUGN-UHFFFAOYSA-N -1 3 475.624 5.818 50 0 JKAAHM O=C([N-]c1cccc(-c2ccc3ccccc3c2)n1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000058355577 195378252 /nfs/dbraw/zinc/37/82/52/195378252.db2.gz YNTJIGLNGSNIDL-UHFFFAOYSA-N -1 3 463.584 5.000 50 0 JKAAHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000058163401 195369740 /nfs/dbraw/zinc/36/97/40/195369740.db2.gz FRXKDBZYQLQAGX-UHFFFAOYSA-N -1 3 464.522 5.023 50 0 JKAAHM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000058163401 195369743 /nfs/dbraw/zinc/36/97/43/195369743.db2.gz FRXKDBZYQLQAGX-UHFFFAOYSA-N -1 3 464.522 5.023 50 0 JKAAHM CCc1ccc(-c2noc(CS[C@@H](C)c3nc(=O)c4c(-c5ccco5)csc4[n-]3)n2)cc1 ZINC000058670068 195380215 /nfs/dbraw/zinc/38/02/15/195380215.db2.gz NRJJDDTXGVDYAK-ZDUSSCGKSA-N -1 3 464.572 5.851 50 0 JKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102912256 130387595 /nfs/dbraw/zinc/38/75/95/130387595.db2.gz YCKZIYVRIPZFNG-DNVJHFABSA-N -1 3 499.350 5.062 50 0 JKAAHM CC(=O)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)c1 ZINC000016361203 518438967 /nfs/dbraw/zinc/43/89/67/518438967.db2.gz VDBWEOUANCGRNQ-UHFFFAOYSA-N -1 3 451.548 5.259 50 0 JKAAHM CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000033170588 519702445 /nfs/dbraw/zinc/70/24/45/519702445.db2.gz XDNJRICNCLFPCS-JYRVWZFOSA-N -1 3 453.564 5.344 50 0 JKAAHM CC(C)OC(=O)c1c([N-]C(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCCC2 ZINC000002105759 519751991 /nfs/dbraw/zinc/75/19/91/519751991.db2.gz JZFAEMDTPOKIOK-UHFFFAOYSA-N -1 3 482.454 7.356 50 0 JKAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1 ZINC000033274599 519838697 /nfs/dbraw/zinc/83/86/97/519838697.db2.gz HOMOGKUKRSCWJX-UHFFFAOYSA-N -1 3 462.615 5.001 50 0 JKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(Cl)cc3c2C)cc1OCCC ZINC000008612515 520317596 /nfs/dbraw/zinc/31/75/96/520317596.db2.gz ZAXNFOMQNMHXFS-UHFFFAOYSA-N -1 3 469.925 6.275 50 0 JKAAHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689154 520722900 /nfs/dbraw/zinc/72/29/00/520722900.db2.gz CUTPVJDBCSXZRD-UHFFFAOYSA-N -1 3 460.357 5.959 50 0 JKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2cccc(OC)c2)N(c2ccc(OCC)cc2)C3=O)cc1 ZINC000012411960 520813167 /nfs/dbraw/zinc/81/31/67/520813167.db2.gz MYNLPLHXYOVARK-MHZLTWQESA-N -1 3 469.541 5.633 50 0 JKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2cccc(OC)c2)N(c2ccc(OCC)cc2)C3=O)cc1 ZINC000012411960 520813173 /nfs/dbraw/zinc/81/31/73/520813173.db2.gz MYNLPLHXYOVARK-MHZLTWQESA-N -1 3 469.541 5.633 50 0 JKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1OCC ZINC000016752568 520829386 /nfs/dbraw/zinc/82/93/86/520829386.db2.gz VSLKQPWKIKFNBD-UHFFFAOYSA-N -1 3 455.898 5.803 50 0 JKAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)nc(C)n1 ZINC000033324507 520878775 /nfs/dbraw/zinc/87/87/75/520878775.db2.gz BZIAHEPOHTZADH-UHFFFAOYSA-N -1 3 480.421 5.482 50 0 JKAAHM CCOc1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000012411858 521038404 /nfs/dbraw/zinc/03/84/04/521038404.db2.gz YVKPKYZPXJNSMC-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM CCOc1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000012411858 521038416 /nfs/dbraw/zinc/03/84/16/521038416.db2.gz YVKPKYZPXJNSMC-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM CCCC[C@H](CC)c1nnc([N-]C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)s1 ZINC000002781901 521183161 /nfs/dbraw/zinc/18/31/61/521183161.db2.gz MKVVGQIAROEZQA-LBPRGKRZSA-N -1 3 494.568 6.264 50 0 JKAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1 ZINC000033115531 521412000 /nfs/dbraw/zinc/41/20/00/521412000.db2.gz GTPQJTAKYQWVJC-UHFFFAOYSA-N -1 3 454.636 5.168 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)sc2c1CCCC2 ZINC000021786096 521419275 /nfs/dbraw/zinc/41/92/75/521419275.db2.gz ZOJRLCXGDIULEG-CYBMUJFWSA-N -1 3 452.532 5.034 50 0 JKAAHM CCOc1ccccc1-c1nc(CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c(C)o1 ZINC000033287188 521439709 /nfs/dbraw/zinc/43/97/09/521439709.db2.gz FUFZIDWNNSSVPV-UHFFFAOYSA-N -1 3 488.613 5.395 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000012411004 521484698 /nfs/dbraw/zinc/48/46/98/521484698.db2.gz YGAIOCARCXHEPC-RUZDIDTESA-N -1 3 471.488 5.151 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000012411004 521484707 /nfs/dbraw/zinc/48/47/07/521484707.db2.gz YGAIOCARCXHEPC-RUZDIDTESA-N -1 3 471.488 5.151 50 0 JKAAHM COC(=O)c1c([N-]C(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)sc2c1CCCC2 ZINC000008613745 521785966 /nfs/dbraw/zinc/78/59/66/521785966.db2.gz NGRFJEWNNWZRGA-UHFFFAOYSA-N -1 3 488.034 5.710 50 0 JKAAHM CCc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930863 521889659 /nfs/dbraw/zinc/88/96/59/521889659.db2.gz WKFUIVPIFBHSOQ-SFHVURJKSA-N -1 3 457.506 5.000 50 0 JKAAHM CC[C@@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)nc1 ZINC000033138371 522218575 /nfs/dbraw/zinc/21/85/75/522218575.db2.gz FKQMSDSXVFCGNU-GOSISDBHSA-N -1 3 469.632 5.179 50 0 JKAAHM COc1ccc(-c2cc(C(=O)[N-]c3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)cc1OC ZINC000002085369 523099982 /nfs/dbraw/zinc/09/99/82/523099982.db2.gz KWUOZNYTNPKVBW-UHFFFAOYSA-N -1 3 474.385 5.867 50 0 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COc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccc(OC)cc3OC)c2C(=O)[O-])cc1 ZINC000008593594 524258132 /nfs/dbraw/zinc/25/81/32/524258132.db2.gz BGQVBQAJZBBCJO-UHFFFAOYSA-N -1 3 474.557 5.012 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c(C)c1 ZINC000033326906 524324781 /nfs/dbraw/zinc/32/47/81/524324781.db2.gz SNMDOGYNLHDBHG-UHFFFAOYSA-N -1 3 479.650 5.999 50 0 JKAAHM COc1ccccc1CN1CCc2nc(SCc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000033141658 524455549 /nfs/dbraw/zinc/45/55/49/524455549.db2.gz SPXJFPLREDNAMI-UHFFFAOYSA-N -1 3 461.509 5.060 50 0 JKAAHM COc1ccc(Nc2nnc(SCc3nc(=O)c4c(-c5cccs5)csc4[n-]3)s2)cc1 ZINC000002620983 524722858 /nfs/dbraw/zinc/72/28/58/524722858.db2.gz QCMXTTNOGPZQEV-UHFFFAOYSA-N -1 3 485.641 5.609 50 0 JKAAHM Cc1ccc(Cl)cc1NC(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033273163 524747352 /nfs/dbraw/zinc/74/73/52/524747352.db2.gz RHTRGUAWXKVODJ-UHFFFAOYSA-N -1 3 473.961 5.303 50 0 JKAAHM Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c([O-])c(Cc2cc(C)cc(C(C)(C)C)c2O)c1 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488.013 5.030 50 0 JKAAHM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000013145700 555343121 /nfs/dbraw/zinc/34/31/21/555343121.db2.gz IZPSGKGVCGIUGH-KXBFYZLASA-N -1 3 488.013 5.030 50 0 JKAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000013150042 555354697 /nfs/dbraw/zinc/35/46/97/555354697.db2.gz NHANBGGPACKEML-INIZCTEOSA-N -1 3 469.979 5.250 50 0 JKAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(CC)CC)n3)cc2)cc1 ZINC000009572510 555369256 /nfs/dbraw/zinc/36/92/56/555369256.db2.gz CESZRFHWAOYSDR-UHFFFAOYSA-N -1 3 483.638 5.355 50 0 JKAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000009572445 555369311 /nfs/dbraw/zinc/36/93/11/555369311.db2.gz ROBXJIKKMNMBOW-UHFFFAOYSA-N -1 3 459.575 5.428 50 0 JKAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C(C)C)ccc3C)cc2)n1 ZINC000009572521 555369353 /nfs/dbraw/zinc/36/93/53/555369353.db2.gz XIEQSTHXOVZLQR-UHFFFAOYSA-N -1 3 467.639 5.607 50 0 JKAAHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000009579548 555383280 /nfs/dbraw/zinc/38/32/80/555383280.db2.gz HEDOWJQGPUKBJF-UHFFFAOYSA-N -1 3 487.767 5.768 50 0 JKAAHM CC(=O)c1sc2[n-]c(CSc3ncnc4sc(-c5ccccc5)cc43)nc(=O)c2c1C ZINC000009670578 555387515 /nfs/dbraw/zinc/38/75/15/555387515.db2.gz OBVMAWLPQFEJKZ-UHFFFAOYSA-N -1 3 464.597 5.460 50 0 JKAAHM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)cc1 ZINC000009585067 555394498 /nfs/dbraw/zinc/39/44/98/555394498.db2.gz JBLMBKAWRHXFTH-UHFFFAOYSA-N -1 3 498.910 5.098 50 0 JKAAHM O=C(COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2)Nc1ccc(F)cc1F ZINC000009589077 555402112 /nfs/dbraw/zinc/40/21/12/555402112.db2.gz DNLSNABETXDTSM-GHRIWEEISA-N -1 3 486.474 5.501 50 0 JKAAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@H](c2cccnc2)N1c1ccc(Cl)cc1 ZINC000009678987 555403476 /nfs/dbraw/zinc/40/34/76/555403476.db2.gz SXSTVNHMVXEHSI-NRFANRHFSA-N -1 3 465.738 5.637 50 0 JKAAHM 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COc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679038 555403938 /nfs/dbraw/zinc/40/39/38/555403938.db2.gz QUMSICBTVUXGOS-QHCPKHFHSA-N -1 3 494.776 6.251 50 0 JKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679038 555403940 /nfs/dbraw/zinc/40/39/40/555403940.db2.gz QUMSICBTVUXGOS-QHCPKHFHSA-N -1 3 494.776 6.251 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679166 555404138 /nfs/dbraw/zinc/40/41/38/555404138.db2.gz PMIDRWNGQCDSLC-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679166 555404140 /nfs/dbraw/zinc/40/41/40/555404140.db2.gz PMIDRWNGQCDSLC-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM COC(=O)c1ccc([C@H]2c3c([n-]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679150 555404187 /nfs/dbraw/zinc/40/41/87/555404187.db2.gz XTXWKXXJXLVBNG-DEOSSOPVSA-N -1 3 457.917 5.575 50 0 JKAAHM COC(=O)c1ccc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679150 555404189 /nfs/dbraw/zinc/40/41/89/555404189.db2.gz XTXWKXXJXLVBNG-DEOSSOPVSA-N -1 3 457.917 5.575 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679175 555404206 /nfs/dbraw/zinc/40/42/06/555404206.db2.gz PNHJOPAQOKHXNV-QHCPKHFHSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679175 555404209 /nfs/dbraw/zinc/40/42/09/555404209.db2.gz PNHJOPAQOKHXNV-QHCPKHFHSA-N -1 3 462.322 6.037 50 0 JKAAHM COc1ccccc1[C@H]1c2c([n-]nc2-c2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 ZINC000009679165 555404218 /nfs/dbraw/zinc/40/42/18/555404218.db2.gz VOYINJPYDBKWEH-DEOSSOPVSA-N -1 3 474.358 5.906 50 0 JKAAHM COc1ccccc1[C@H]1c2c(n[n-]c2-c2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 ZINC000009679165 555404220 /nfs/dbraw/zinc/40/42/20/555404220.db2.gz VOYINJPYDBKWEH-DEOSSOPVSA-N -1 3 474.358 5.906 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679143 555404254 /nfs/dbraw/zinc/40/42/54/555404254.db2.gz DWLFFWUJQCLBCD-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679143 555404256 /nfs/dbraw/zinc/40/42/56/555404256.db2.gz DWLFFWUJQCLBCD-HSZRJFAPSA-N -1 3 478.777 6.551 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009679210 555404670 /nfs/dbraw/zinc/40/46/70/555404670.db2.gz SXTOMCHCJYHJRO-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009679210 555404672 /nfs/dbraw/zinc/40/46/72/555404672.db2.gz SXTOMCHCJYHJRO-RUZDIDTESA-N -1 3 453.498 5.012 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679177 555404734 /nfs/dbraw/zinc/40/47/34/555404734.db2.gz XWHNCELRFXRXOW-HSZRJFAPSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679177 555404735 /nfs/dbraw/zinc/40/47/35/555404735.db2.gz XWHNCELRFXRXOW-HSZRJFAPSA-N -1 3 462.322 6.037 50 0 JKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Br)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009679205 555404812 /nfs/dbraw/zinc/40/48/12/555404812.db2.gz BPXHHYFCSGWWRS-QHCPKHFHSA-N -1 3 460.331 5.603 50 0 JKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Br)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009679205 555404814 /nfs/dbraw/zinc/40/48/14/555404814.db2.gz BPXHHYFCSGWWRS-QHCPKHFHSA-N -1 3 460.331 5.603 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679260 555405350 /nfs/dbraw/zinc/40/53/50/555405350.db2.gz LHRDBNZMYSOSJA-RUZDIDTESA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679260 555405353 /nfs/dbraw/zinc/40/53/53/555405353.db2.gz LHRDBNZMYSOSJA-RUZDIDTESA-N -1 3 455.489 5.451 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679291 555405361 /nfs/dbraw/zinc/40/53/61/555405361.db2.gz LTKWNVRMUCOUNL-HHHXNRCGSA-N -1 3 481.552 5.710 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679291 555405362 /nfs/dbraw/zinc/40/53/62/555405362.db2.gz LTKWNVRMUCOUNL-HHHXNRCGSA-N -1 3 481.552 5.710 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679281 555405439 /nfs/dbraw/zinc/40/54/39/555405439.db2.gz OYWMOGYSSRXXFT-SANMLTNESA-N -1 3 495.535 5.098 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679281 555405441 /nfs/dbraw/zinc/40/54/41/555405441.db2.gz OYWMOGYSSRXXFT-SANMLTNESA-N -1 3 495.535 5.098 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009679384 555405820 /nfs/dbraw/zinc/40/58/20/555405820.db2.gz RTCPRYNBARIJJY-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009679384 555405821 /nfs/dbraw/zinc/40/58/21/555405821.db2.gz RTCPRYNBARIJJY-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000009679391 555405897 /nfs/dbraw/zinc/40/58/97/555405897.db2.gz OYRCCUNCFFSLNM-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000009679391 555405901 /nfs/dbraw/zinc/40/59/01/555405901.db2.gz OYRCCUNCFFSLNM-MHZLTWQESA-N -1 3 497.551 5.411 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009679469 555406288 /nfs/dbraw/zinc/40/62/88/555406288.db2.gz PTHPHFJNFMMMRR-AREMUKBSSA-N -1 3 483.524 5.108 50 0 JKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009679469 555406292 /nfs/dbraw/zinc/40/62/92/555406292.db2.gz PTHPHFJNFMMMRR-AREMUKBSSA-N -1 3 483.524 5.108 50 0 JKAAHM 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493.467 6.585 50 0 JKAAHM O=c1[n-]c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000012586597 556083985 /nfs/dbraw/zinc/08/39/85/556083985.db2.gz PFOMSRYKLXSFIR-UHFFFAOYSA-N -1 3 476.565 5.254 50 0 JKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(I)c1[O-] ZINC000015947489 556085501 /nfs/dbraw/zinc/08/55/01/556085501.db2.gz LHZPLGBKGLLTJM-XLFHBGCDSA-N -1 3 484.359 5.011 50 0 JKAAHM COc1cc([C@@H]2Nc3scc(-c4ccccc4)c3C(=O)N2)cc(I)c1[O-] ZINC000015947874 556086518 /nfs/dbraw/zinc/08/65/18/556086518.db2.gz JRLQZBDNLZWSFP-KRWDZBQOSA-N -1 3 478.311 5.163 50 0 JKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000016001437 556106491 /nfs/dbraw/zinc/10/64/91/556106491.db2.gz BHILAFPBTYDLPB-LSMVNSQTSA-N -1 3 496.994 5.601 50 0 JKAAHM Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)cc(-c2nc3ccccc3s2)c1[O-] ZINC000012843214 556116806 /nfs/dbraw/zinc/11/68/06/556116806.db2.gz HNNILJSDRDZBHR-UHFFFAOYSA-N -1 3 488.421 6.411 50 0 JKAAHM Cc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000012843199 556116810 /nfs/dbraw/zinc/11/68/10/556116810.db2.gz INCMNSXRQKNHAR-UHFFFAOYSA-N -1 3 477.611 5.891 50 0 JKAAHM O=C(CO[N-]C(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000016044872 556125460 /nfs/dbraw/zinc/12/54/60/556125460.db2.gz YDOXQRWTGALEDW-UHFFFAOYSA-N -1 3 471.022 5.694 50 0 JKAAHM C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012899142 556125600 /nfs/dbraw/zinc/12/56/00/556125600.db2.gz VHVNMDZDTTVJEC-ZDUSSCGKSA-N -1 3 471.567 6.036 50 0 JKAAHM COc1ccc(NC(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)cc1OC ZINC000012907749 556126831 /nfs/dbraw/zinc/12/68/31/556126831.db2.gz UVDVUTXMNPXWLE-CYBMUJFWSA-N -1 3 499.589 5.068 50 0 JKAAHM C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012975764 556168237 /nfs/dbraw/zinc/16/82/37/556168237.db2.gz RLBGRMXCQXOPBR-CYBMUJFWSA-N -1 3 491.564 5.010 50 0 JKAAHM COC(=O)c1cc([N-]C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c(F)cc1F ZINC000025055913 556176085 /nfs/dbraw/zinc/17/60/85/556176085.db2.gz OWNYOPONTRRWEN-UHFFFAOYSA-N -1 3 475.904 5.425 50 0 JKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCN(Cc1ccccc1)C2 ZINC000025140371 556180772 /nfs/dbraw/zinc/18/07/72/556180772.db2.gz VJQVTRALACTKSY-UHFFFAOYSA-N -1 3 492.494 5.292 50 0 JKAAHM COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@@]1([O-])C(F)(F)F ZINC000016957610 556188862 /nfs/dbraw/zinc/18/88/62/556188862.db2.gz WZFKUWONJMCCRH-UTKZUKDTSA-N -1 3 479.911 5.510 50 0 JKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)c(C)c1 ZINC000016994308 556198633 /nfs/dbraw/zinc/19/86/33/556198633.db2.gz WNYFZJKDMFSDBK-UHFFFAOYSA-N -1 3 465.623 5.245 50 0 JKAAHM COc1cc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c(C)cc1C ZINC000017010329 556200172 /nfs/dbraw/zinc/20/01/72/556200172.db2.gz RZVXMWCTHUIPLH-UHFFFAOYSA-N -1 3 489.601 5.698 50 0 JKAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 ZINC000017013797 556203821 /nfs/dbraw/zinc/20/38/21/556203821.db2.gz VAUOCIRJZDYMPZ-UHFFFAOYSA-N -1 3 475.574 5.188 50 0 JKAAHM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000017013736 556203832 /nfs/dbraw/zinc/20/38/32/556203832.db2.gz VXYWPXHCBHZMOF-UHFFFAOYSA-N -1 3 465.966 5.726 50 0 JKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)cc1 ZINC000017013944 556203838 /nfs/dbraw/zinc/20/38/38/556203838.db2.gz TUKSVNLOEXEAFO-UHFFFAOYSA-N -1 3 461.547 5.082 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1OC ZINC000017013696 556203881 /nfs/dbraw/zinc/20/38/81/556203881.db2.gz GOXGYKWRRFFMOV-UHFFFAOYSA-N -1 3 491.573 5.090 50 0 JKAAHM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000017013898 556203940 /nfs/dbraw/zinc/20/39/40/556203940.db2.gz QWDAJHYFPYDYQA-UHFFFAOYSA-N -1 3 465.966 5.726 50 0 JKAAHM O=C([N-]c1nc(SCc2ccccc2)ns1)c1cn(-c2ccccc2)nc1-c1cccnc1 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/nfs/dbraw/zinc/21/36/14/556213614.db2.gz ZQGBZXQFKKQPDH-UHFFFAOYSA-N -1 3 489.601 5.698 50 0 JKAAHM Cc1sc2[n-]c(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc(=O)c2c1-c1ccc(C)cc1 ZINC000013031625 556228664 /nfs/dbraw/zinc/22/86/64/556228664.db2.gz SMECTHQUQAYBRH-HXUWFJFHSA-N -1 3 473.598 5.377 50 0 JKAAHM O=c1nc(CN(Cc2ccccc2)Cc2ccccc2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000025747787 556232157 /nfs/dbraw/zinc/23/21/57/556232157.db2.gz TVPKGKSAVOZSOJ-UHFFFAOYSA-N -1 3 472.013 6.507 50 0 JKAAHM O=C(NCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1 ZINC000013042348 556248908 /nfs/dbraw/zinc/24/89/08/556248908.db2.gz VVGAZXAESCIPBD-JOCHJYFZSA-N -1 3 489.424 5.279 50 0 JKAAHM Cc1sc2[n-]c(CN(C)[C@H](C)c3ccc(-n4cncn4)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000017306178 556253718 /nfs/dbraw/zinc/25/37/18/556253718.db2.gz NXTPPTRQKHZAJU-QGZVFWFLSA-N -1 3 470.602 5.042 50 0 JKAAHM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000017838263 556268470 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/nfs/dbraw/zinc/28/69/21/556286921.db2.gz ZYYDBZKLNRMWDG-OQKWZONESA-N -1 3 483.637 6.112 50 0 JKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000018113323 556288840 /nfs/dbraw/zinc/28/88/40/556288840.db2.gz SCDMWIVARPGQQM-VSKRKVRLSA-N -1 3 497.776 5.462 50 0 JKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc2c(Br)cccc12 ZINC000027527746 556289312 /nfs/dbraw/zinc/28/93/12/556289312.db2.gz OSQDPUNJCRHFJM-UHFFFAOYSA-N -1 3 475.367 6.837 50 0 JKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3c3cccs3)c2)cc1 ZINC000013096234 556289855 /nfs/dbraw/zinc/28/98/55/556289855.db2.gz ITMCFSICHFRJOU-DEOSSOPVSA-N -1 3 482.671 6.177 50 0 JKAAHM CCCOc1ccc(-c2cc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)c3ccccc3n2)cc1 ZINC000018195295 556302299 /nfs/dbraw/zinc/30/22/99/556302299.db2.gz PKIRCKBKGZQFDA-HSZRJFAPSA-N -1 3 457.452 5.163 50 0 JKAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N(c2ccccc2)[C@@]1(O)C(F)(F)F ZINC000013109395 556308188 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DOHAUWBHLLGCLF-UHFFFAOYSA-N -1 3 492.432 5.627 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(NC2CCCCC2)n1 ZINC000064802037 569631773 /nfs/dbraw/zinc/63/17/73/569631773.db2.gz YQBTUBGMBJWNHH-UHFFFAOYSA-N -1 3 455.559 5.213 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc(NC2CCCCC2)n1 ZINC000064802026 569631859 /nfs/dbraw/zinc/63/18/59/569631859.db2.gz HEGQZYQMUNXZTH-UHFFFAOYSA-N -1 3 472.014 5.727 50 0 JKAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c1 ZINC000064802183 569631963 /nfs/dbraw/zinc/63/19/63/569631963.db2.gz ZPAUQCOEXNGAMD-UHFFFAOYSA-N -1 3 465.623 5.691 50 0 JKAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2)nc(NC2CCCCC2)n1 ZINC000064814519 569632136 /nfs/dbraw/zinc/63/21/36/569632136.db2.gz VBXHCGTZMLQDEK-UHFFFAOYSA-N -1 3 469.586 5.522 50 0 JKAAHM CC(C)c1ccc(CN2CCCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2=O)cc1 ZINC000034737581 569654602 /nfs/dbraw/zinc/65/46/02/569654602.db2.gz QCWUKWDEDJCEBH-UHFFFAOYSA-N -1 3 481.593 5.582 50 0 JKAAHM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1 ZINC000065063521 569656750 /nfs/dbraw/zinc/65/67/50/569656750.db2.gz FUPWFDJDFFZWDE-UHFFFAOYSA-N -1 3 481.618 5.718 50 0 JKAAHM CC[C@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)nc1 ZINC000065063532 569656782 /nfs/dbraw/zinc/65/67/82/569656782.db2.gz VVGIVMWRQPRGIJ-IBGZPJMESA-N -1 3 481.618 5.402 50 0 JKAAHM CC(C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1 ZINC000065063571 569657019 /nfs/dbraw/zinc/65/70/19/569657019.db2.gz QMOSTNYIRZNKLG-UHFFFAOYSA-N -1 3 467.591 5.110 50 0 JKAAHM CC[C@@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000065074605 569657133 /nfs/dbraw/zinc/65/71/33/569657133.db2.gz RGNUFSSYODPZDD-GOSISDBHSA-N -1 3 479.602 5.082 50 0 JKAAHM CCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000065074563 569657208 /nfs/dbraw/zinc/65/72/08/569657208.db2.gz HLCXLOKMRJAIMN-UHFFFAOYSA-N -1 3 479.602 5.472 50 0 JKAAHM CCCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000065074621 569657326 /nfs/dbraw/zinc/65/73/26/569657326.db2.gz SEOFWXLGPVLEAC-UHFFFAOYSA-N -1 3 467.591 5.212 50 0 JKAAHM CCOC(=O)c1sc2nc(-c3cc(OC)c([O-])c(OC)c3)c(NCc3ccccc3C)n2c1C ZINC000065318780 569673118 /nfs/dbraw/zinc/67/31/18/569673118.db2.gz FITOQQQBIHKSDT-UHFFFAOYSA-N -1 3 481.574 5.191 50 0 JKAAHM COc1cc(-c2nc3sc4cc(C)ccc4n3c2NCCCOC(C)C)cc(OC)c1[O-] ZINC000065319310 569673929 /nfs/dbraw/zinc/67/39/29/569673929.db2.gz KHXWAWSDBLIKBZ-UHFFFAOYSA-N -1 3 455.580 5.474 50 0 JKAAHM CCCC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000035422731 569692942 /nfs/dbraw/zinc/69/29/42/569692942.db2.gz ABHXFICATKZUGK-UHFFFAOYSA-N -1 3 457.574 5.035 50 0 JKAAHM Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(=O)[n-]c(SCc4ccccc4C)nc3n2)cc1 ZINC000072333651 569703340 /nfs/dbraw/zinc/70/33/40/569703340.db2.gz WSVUIIRIWLZULK-UHFFFAOYSA-N -1 3 463.606 6.870 50 0 JKAAHM COc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccccc4)c(NC(=O)c4ccccc4)s3)no2)cc1 ZINC000035671725 569706191 /nfs/dbraw/zinc/70/61/91/569706191.db2.gz FDPZBYZVSOYCNV-UHFFFAOYSA-N -1 3 496.548 5.978 50 0 JKAAHM O=C([N-]c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cc(-c2ccccc2)on1 ZINC000035671708 569706278 /nfs/dbraw/zinc/70/62/78/569706278.db2.gz GXJWZHYFRSSTQX-UHFFFAOYSA-N -1 3 466.522 5.970 50 0 JKAAHM COc1ccccc1[C@H]1CC(=O)Oc2cc3c(c([O-])c21)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3 ZINC000079188413 569707067 /nfs/dbraw/zinc/70/70/67/569707067.db2.gz MYNUBSUOSNTHMV-BKXRIAFESA-N -1 3 478.541 5.324 50 0 JKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cccc2ccccc21)CC(=O)O3 ZINC000079194166 569707345 /nfs/dbraw/zinc/70/73/45/569707345.db2.gz BAIGPTHTFBKKCQ-UFVCBQFPSA-N -1 3 498.575 6.468 50 0 JKAAHM CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000035794527 569711186 /nfs/dbraw/zinc/71/11/86/569711186.db2.gz JKJUBUUBZDXDNC-UHFFFAOYSA-N -1 3 486.956 5.315 50 0 JKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843197 569714431 /nfs/dbraw/zinc/71/44/31/569714431.db2.gz FYVWOXLHBWEHRJ-ZGQJUUMOSA-N -1 3 494.566 5.414 50 0 JKAAHM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035886872 569720720 /nfs/dbraw/zinc/72/07/20/569720720.db2.gz AWJWTMGVRJZUJX-JWQCQUIFSA-N -1 3 476.598 5.065 50 0 JKAAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000095483644 569725144 /nfs/dbraw/zinc/72/51/44/569725144.db2.gz RSYSVVPXMQQROL-ZLNRFVROSA-N -1 3 467.352 5.607 50 0 JKAAHM Cc1cccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)c1 ZINC000035910512 569725798 /nfs/dbraw/zinc/72/57/98/569725798.db2.gz GNCDLUSFLFOGNT-RUZDIDTESA-N -1 3 466.628 5.500 50 0 JKAAHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)cc1 ZINC000035910526 569725831 /nfs/dbraw/zinc/72/58/31/569725831.db2.gz PUHLRKJZXKPKBG-RUZDIDTESA-N -1 3 482.627 5.398 50 0 JKAAHM COc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000035910986 569726250 /nfs/dbraw/zinc/72/62/50/569726250.db2.gz YLQPCUMLSSRGFW-VWLOTQADSA-N -1 3 482.627 5.200 50 0 JKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000095909135 569729471 /nfs/dbraw/zinc/72/94/71/569729471.db2.gz YCKZIYVRIPZFNG-ZRBLBEILSA-N -1 3 499.350 5.062 50 0 JKAAHM CC(C)(C)c1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc(C(C)(C)C)c1O ZINC000096116663 569735411 /nfs/dbraw/zinc/73/54/11/569735411.db2.gz MDDVJEKMXOFJDH-OAQYLSRUSA-N -1 3 489.707 5.732 50 0 JKAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccccc2OCCc2ccccc2)CCO1 ZINC000096117724 569735844 /nfs/dbraw/zinc/73/58/44/569735844.db2.gz QGARGWRPVRKNOW-YADARESESA-N -1 3 493.629 5.115 50 0 JKAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)SCC(=O)N2 ZINC000096118223 569735938 /nfs/dbraw/zinc/73/59/38/569735938.db2.gz DKNBIFZSWJYVFE-JOCHJYFZSA-N -1 3 467.616 5.011 50 0 JKAAHM COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OC(C)C ZINC000096222337 569739504 /nfs/dbraw/zinc/73/95/04/569739504.db2.gz ALGPHAIKNIWTIU-HXUWFJFHSA-N -1 3 472.493 5.402 50 0 biogenic JKAAHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072965 569750269 /nfs/dbraw/zinc/75/02/69/569750269.db2.gz MLYMMHLNJAWIIH-UHFFFAOYSA-N -1 3 477.071 5.170 50 0 JKAAHM O=C(N[C@@H](C(C(=O)c1ccccc1)=C([O-])c1ccccc1)c1ccccc1)OCCc1ccccc1 ZINC000100079780 569752554 /nfs/dbraw/zinc/75/25/54/569752554.db2.gz CRBVARJCQHMYHF-MUUNZHRXSA-N -1 3 477.560 6.079 50 0 JKAAHM COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(I)c1[O-] ZINC000100716873 569767649 /nfs/dbraw/zinc/76/76/49/569767649.db2.gz MIXDCSSDPOIXTC-HXUWFJFHSA-N -1 3 490.341 5.877 50 0 JKAAHM COc1ccccc1CN(Cc1cccs1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000036384750 569773831 /nfs/dbraw/zinc/77/38/31/569773831.db2.gz QDSQKDFOGWESMB-UHFFFAOYSA-N -1 3 491.613 6.063 50 0 JKAAHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100885098 569774213 /nfs/dbraw/zinc/77/42/13/569774213.db2.gz POLMJDIEAXQIPX-FKBYEOEOSA-N -1 3 484.499 5.478 50 0 JKAAHM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000101035559 569780339 /nfs/dbraw/zinc/78/03/39/569780339.db2.gz HEBPGXFSRJKKIQ-BDTNDASRSA-N -1 3 469.324 5.053 50 0 JKAAHM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000101063106 569780917 /nfs/dbraw/zinc/78/09/17/569780917.db2.gz XGKXKPRQITVARF-VWPQPMDRSA-N -1 3 469.324 5.053 50 0 JKAAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000101071528 569781240 /nfs/dbraw/zinc/78/12/40/569781240.db2.gz HKAVCYDERWECLQ-IBGZPJMESA-N -1 3 464.363 6.191 50 0 JKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101216929 569787346 /nfs/dbraw/zinc/78/73/46/569787346.db2.gz QELXDQHSKNAKKE-NXCFDTQHSA-N -1 3 490.531 5.064 50 0 JKAAHM CC(=O)C(Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C(C)C)=C(C)[O-] ZINC000102184179 569810848 /nfs/dbraw/zinc/81/08/48/569810848.db2.gz IIBGALOLMSGHHV-UHFFFAOYSA-N -1 3 462.402 6.003 50 0 JKAAHM COc1ccc(NC(=O)[C@@H](C)S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000040007521 569813702 /nfs/dbraw/zinc/81/37/02/569813702.db2.gz JJOXBAZFVDUBHK-LSDHHAIUSA-N -1 3 465.600 5.482 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000102663126 569815252 /nfs/dbraw/zinc/81/52/52/569815252.db2.gz ARTLOQKLSBNWJP-PCCBWWKXSA-N -1 3 457.288 5.184 50 0 JKAAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102707698 569816875 /nfs/dbraw/zinc/81/68/75/569816875.db2.gz JAKSDEKBLIRJKK-YPAWHYETSA-N -1 3 469.324 5.053 50 0 JKAAHM Cc1ccc(Cl)cc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000102715403 569817019 /nfs/dbraw/zinc/81/70/19/569817019.db2.gz YFEBEVINXQOVED-BHIFYINESA-N -1 3 497.776 5.462 50 0 JKAAHM COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000102711472 569817027 /nfs/dbraw/zinc/81/70/27/569817027.db2.gz ZSJCBQVUEYXRDB-CPJSRVTESA-N -1 3 463.537 6.194 50 0 JKAAHM COc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000102711475 569817063 /nfs/dbraw/zinc/81/70/63/569817063.db2.gz ZSJCBQVUEYXRDB-NBGIEHNGSA-N -1 3 463.537 6.194 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000102727454 569818005 /nfs/dbraw/zinc/81/80/05/569818005.db2.gz ZJEZDPAHFJVQDT-TZRRMPRUSA-N -1 3 462.571 5.368 50 0 JKAAHM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102729715 569818109 /nfs/dbraw/zinc/81/81/09/569818109.db2.gz VEZFHJVGNZZXTO-ZPOKTZCFSA-N -1 3 450.579 5.370 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1 ZINC000102734250 569818476 /nfs/dbraw/zinc/81/84/76/569818476.db2.gz BLEWUOTVXDZSIJ-TZRRMPRUSA-N -1 3 462.933 5.180 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102735042 569818583 /nfs/dbraw/zinc/81/85/83/569818583.db2.gz DARZNMVGTHKPQI-BHIFYINESA-N -1 3 453.325 5.353 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000102734898 569818659 /nfs/dbraw/zinc/81/86/59/569818659.db2.gz XTWMYHIEGIATNO-GMQQYTKMSA-N -1 3 484.596 5.824 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(CC)cc2)cc1 ZINC000102736461 569818758 /nfs/dbraw/zinc/81/87/58/569818758.db2.gz ZFEIGZFMWSEKRO-KKUQBAQOSA-N -1 3 456.542 5.089 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000102734900 569818765 /nfs/dbraw/zinc/81/87/65/569818765.db2.gz XTWMYHIEGIATNO-KWXIBIRDSA-N -1 3 484.596 5.824 50 0 JKAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102738948 569818941 /nfs/dbraw/zinc/81/89/41/569818941.db2.gz PXSBOFFPANTTHJ-YTFSRNRJSA-N -1 3 467.352 5.607 50 0 JKAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccc(Cl)cc4)CC(=O)C32)c(OC)c1OC ZINC000102739874 569819095 /nfs/dbraw/zinc/81/90/95/569819095.db2.gz OZJUJEIBZTYYJG-RBZFPXEDSA-N -1 3 482.924 5.378 50 0 JKAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102741773 569819207 /nfs/dbraw/zinc/81/92/07/569819207.db2.gz IGYJUWUTOCSWLQ-YPAWHYETSA-N -1 3 453.325 5.353 50 0 JKAAHM COc1cc(C([O-])=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc(Cl)c1OC ZINC000040150555 569819679 /nfs/dbraw/zinc/81/96/79/569819679.db2.gz NPWUBBTUXTVAGJ-UHFFFAOYSA-N -1 3 480.998 6.591 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102751138 569820861 /nfs/dbraw/zinc/82/08/61/569820861.db2.gz VFGVPJFOWZWFSG-UODIDJSMSA-N -1 3 454.570 5.652 50 0 JKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102754468 569821083 /nfs/dbraw/zinc/82/10/83/569821083.db2.gz JVAPSYWNJQZRSO-RJGXRXQPSA-N -1 3 483.351 5.443 50 0 JKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102752492 569821130 /nfs/dbraw/zinc/82/11/30/569821130.db2.gz ILMPGOMHZRFJFW-XPWALMASSA-N -1 3 483.351 5.443 50 0 JKAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000102758546 569821544 /nfs/dbraw/zinc/82/15/44/569821544.db2.gz GWYMEFLNMYFRLW-DSNGMDLFSA-N -1 3 456.542 5.044 50 0 JKAAHM CSc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102759994 569821741 /nfs/dbraw/zinc/82/17/41/569821741.db2.gz ZQKZWPWZSLAQMV-TWJOJJKGSA-N -1 3 466.562 5.613 50 0 JKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000102761268 569821947 /nfs/dbraw/zinc/82/19/47/569821947.db2.gz CPVCJMVMLUVMEX-RJGXRXQPSA-N -1 3 498.457 5.035 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102765691 569822861 /nfs/dbraw/zinc/82/28/61/569822861.db2.gz XIPBWSMXBRJSGS-XPWALMASSA-N -1 3 467.352 5.661 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1c(F)cccc1Cl ZINC000102768195 569823371 /nfs/dbraw/zinc/82/33/71/569823371.db2.gz DNMZZPBAOQSDOY-PWRODBHTSA-N -1 3 490.840 5.549 50 0 JKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000102768211 569823451 /nfs/dbraw/zinc/82/34/51/569823451.db2.gz DLMAWDOBBYYXGS-RJGXRXQPSA-N -1 3 482.458 5.155 50 0 JKAAHM CCCCCCc1cc(-c2nc(-c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)c([O-])cc1O ZINC000103030462 569832107 /nfs/dbraw/zinc/83/21/07/569832107.db2.gz GCINTXBHISDVIB-UHFFFAOYSA-N -1 3 494.422 7.713 50 0 JKAAHM [O-]c1csc(N2N=C3C(=Cc4ccc(Cl)cc4)CCC[C@H]3[C@H]2c2ccc(Cl)cc2)n1 ZINC000051329678 569851690 /nfs/dbraw/zinc/85/16/90/569851690.db2.gz NMRUTKPFVSXXCK-RILPJZFCSA-N -1 3 456.398 6.219 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000105906504 569853613 /nfs/dbraw/zinc/85/36/13/569853613.db2.gz YZAWMMKIZCUHBP-PCCBWWKXSA-N -1 3 490.840 5.549 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000135602460 569864397 /nfs/dbraw/zinc/86/43/97/569864397.db2.gz CMEDXUQINCEJCE-GMQQYTKMSA-N -1 3 464.496 5.544 50 0 JKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000135863545 569864461 /nfs/dbraw/zinc/86/44/61/569864461.db2.gz JZQHUOCERVLIIQ-FDFHNCONSA-N -1 3 453.325 5.353 50 0 JKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137838612 569865324 /nfs/dbraw/zinc/86/53/24/569865324.db2.gz UWYACZATRJHYMB-JIMJEQGWSA-N -1 3 490.531 5.064 50 0 JKAAHM CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137900537 569865476 /nfs/dbraw/zinc/86/54/76/569865476.db2.gz POLMJDIEAXQIPX-BHDDXSALSA-N -1 3 484.499 5.478 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1c(F)cccc1Cl ZINC000137960009 569865565 /nfs/dbraw/zinc/86/55/65/569865565.db2.gz KZPNSPAEJZSXQI-PWRODBHTSA-N -1 3 490.840 5.549 50 0 JKAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000226820758 570038731 /nfs/dbraw/zinc/03/87/31/570038731.db2.gz JAKSDEKBLIRJKK-BHDDXSALSA-N -1 3 469.324 5.053 50 0 JKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000226838687 570038790 /nfs/dbraw/zinc/03/87/90/570038790.db2.gz DXFZWQNVFLFBHW-OSSDZZHWSA-N -1 3 482.967 5.211 50 0 JKAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000226820724 570038792 /nfs/dbraw/zinc/03/87/92/570038792.db2.gz HYGAUVLNAWWTMG-TUNNFDKTSA-N -1 3 469.324 5.053 50 0 JKAAHM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226842651 570038946 /nfs/dbraw/zinc/03/89/46/570038946.db2.gz FWTOXAOGUDVTRJ-UPRLRBBYSA-N -1 3 476.576 6.188 50 0 JKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000226989642 570039757 /nfs/dbraw/zinc/03/97/57/570039757.db2.gz CRYCDDDPTISSKT-FDFHNCONSA-N -1 3 453.325 5.353 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000229936081 570042422 /nfs/dbraw/zinc/04/24/22/570042422.db2.gz CIVBBXOPQCRVEW-PWRODBHTSA-N -1 3 483.749 5.154 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000229996721 570043217 /nfs/dbraw/zinc/04/32/17/570043217.db2.gz AHVAHEGIIFNXEB-ISJGIBHGSA-N -1 3 476.960 5.570 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000230015457 570043508 /nfs/dbraw/zinc/04/35/08/570043508.db2.gz GFCQWPOTDVZCGL-PWRODBHTSA-N -1 3 457.288 5.184 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000230019192 570043620 /nfs/dbraw/zinc/04/36/20/570043620.db2.gz VFGVPJFOWZWFSG-JIMJEQGWSA-N -1 3 454.570 5.652 50 0 JKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000230028767 570043761 /nfs/dbraw/zinc/04/37/61/570043761.db2.gz LQZRBGXDTNKSHL-YTFSRNRJSA-N -1 3 490.346 5.593 50 0 JKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000230050464 570044136 /nfs/dbraw/zinc/04/41/36/570044136.db2.gz PINIHTSUYLLQKH-YTFSRNRJSA-N -1 3 450.897 5.147 50 0 JKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000238901300 570047726 /nfs/dbraw/zinc/04/77/26/570047726.db2.gz LFKSTPLPVXVNTB-NJDAHSKKSA-N -1 3 473.743 5.698 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3Cc2ccccc2)cc1 ZINC000245310383 570063222 /nfs/dbraw/zinc/06/32/22/570063222.db2.gz IPFLJDRUQGGQBC-OYUWMTPXSA-N -1 3 470.569 5.177 50 0 JKAAHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000245310323 570063250 /nfs/dbraw/zinc/06/32/50/570063250.db2.gz IEDYHFDKIHVILF-TWJOJJKGSA-N -1 3 456.542 5.307 50 0 JKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000245311678 570063540 /nfs/dbraw/zinc/06/35/40/570063540.db2.gz PZQIEIGSQXECJF-DNVJHFABSA-N -1 3 466.459 5.373 50 0 JKAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000245311669 570063547 /nfs/dbraw/zinc/06/35/47/570063547.db2.gz PXSBOFFPANTTHJ-XPWALMASSA-N -1 3 467.352 5.607 50 0 JKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311369 570063606 /nfs/dbraw/zinc/06/36/06/570063606.db2.gz ODIDMQZZPSHRFJ-XZSZPMDUSA-N -1 3 496.632 5.645 50 0 JKAAHM CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000245312516 570063708 /nfs/dbraw/zinc/06/37/08/570063708.db2.gz VJCOJKUPZDCPIP-GSTLAZBSSA-N -1 3 482.967 5.292 50 0 JKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000245312516 570063709 /nfs/dbraw/zinc/06/37/09/570063709.db2.gz VJCOJKUPZDCPIP-GSTLAZBSSA-N -1 3 482.967 5.292 50 0 JKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000245324840 570064034 /nfs/dbraw/zinc/06/40/34/570064034.db2.gz AHVAHEGIIFNXEB-UBFVSLLYSA-N -1 3 476.960 5.570 50 0 JKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000245329157 570066155 /nfs/dbraw/zinc/06/61/55/570066155.db2.gz XTWMYHIEGIATNO-ZONZVBGPSA-N -1 3 484.596 5.824 50 0 JKAAHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)[C@H]1C ZINC000245338922 570066987 /nfs/dbraw/zinc/06/69/87/570066987.db2.gz PIKZISIZVUJQSI-QHRIQVFBSA-N -1 3 473.397 5.488 50 0 JKAAHM Cc1ccc(Nc2nc(N=NC(C)c3ccccc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000252590338 570084071 /nfs/dbraw/zinc/08/40/71/570084071.db2.gz ARQXQJRDQMIMGF-UHFFFAOYSA-N -1 3 468.521 5.720 50 0 JKAAHM Cc1ccc(Nc2nc(N=NC(C)c3ccc(F)cc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000252610988 570086178 /nfs/dbraw/zinc/08/61/78/570086178.db2.gz IFLROSQJEBXYFW-UHFFFAOYSA-N -1 3 486.511 5.859 50 0 JKAAHM O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cc(Cl)ccc1[O-] ZINC000253398955 570096293 /nfs/dbraw/zinc/09/62/93/570096293.db2.gz CKZDXKFANQWYCF-RUZDIDTESA-N -1 3 489.959 5.360 50 0 biogenic JKAAHM CCOC1=C[C@@H]2SC([N-]C(=O)[C@@H](Sc3ccc4ccccc4n3)c3ccccc3)=N[C@@H]2C=C1 ZINC000334160667 570184630 /nfs/dbraw/zinc/18/46/30/570184630.db2.gz JOJBSPXKXQTYQX-GPXNEJASSA-N -1 3 473.623 5.515 50 0 JKAAHM