smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c(OC)c1OC ZINC000000819075 559281334 /nfs/dbraw/zinc/28/13/34/559281334.db2.gz LKNIEFNLXNEYBN-UHFFFAOYSA-N 0 1 422.312 5.032 40 0 HKABMN COc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000001085569 560555890 /nfs/dbraw/zinc/55/58/90/560555890.db2.gz VZWCJQHXJOSPIA-UHFFFAOYSA-N 0 1 423.925 5.770 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000001298314 569048748 /nfs/dbraw/zinc/04/87/48/569048748.db2.gz NXWSVJRTUXXYND-JOCHJYFZSA-N 0 1 408.542 5.942 40 0 HKABMN CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298731 569048760 /nfs/dbraw/zinc/04/87/60/569048760.db2.gz KUODAOXXMGDQLW-JOCHJYFZSA-N 0 1 424.997 6.401 40 0 HKABMN CCc1cc([C@H](c2ccc(Cl)cc2)N2CCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298733 569048752 /nfs/dbraw/zinc/04/87/52/569048752.db2.gz KUODAOXXMGDQLW-QFIPXVFZSA-N 0 1 424.997 6.401 40 0 HKABMN Nc1ccc2[nH]c(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)nc2c1 ZINC000001510726 557271065 /nfs/dbraw/zinc/27/10/65/557271065.db2.gz DDMIICDGIGNOCS-UHFFFAOYSA-N 0 1 416.488 5.605 40 0 HKABMN CC(C)[C@@H]([C@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001586253 557274415 /nfs/dbraw/zinc/27/44/15/557274415.db2.gz DSSFNGQBDOOLFJ-UIOOFZCWSA-N 0 1 419.540 5.795 40 0 HKABMN CC(C)[C@H]([C@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001586254 557274409 /nfs/dbraw/zinc/27/44/09/557274409.db2.gz DSSFNGQBDOOLFJ-IZZNHLLZSA-N 0 1 419.540 5.795 40 0 HKABMN CC(C)[C@@H]([C@@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001586255 557274392 /nfs/dbraw/zinc/27/43/92/557274392.db2.gz DSSFNGQBDOOLFJ-FTJBHMTQSA-N 0 1 419.540 5.795 40 0 HKABMN CC(C)[C@H]([C@@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001586256 557274448 /nfs/dbraw/zinc/27/44/48/557274448.db2.gz DSSFNGQBDOOLFJ-CLJLJLNGSA-N 0 1 419.540 5.795 40 0 HKABMN CC(=O)N1c2ccccc2Sc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 ZINC000001614916 132247146 /nfs/dbraw/zinc/24/71/46/132247146.db2.gz ZAYHTINHCHFWIJ-UHFFFAOYSA-N 0 1 407.335 5.148 40 0 HKABMN c1ccc(CN2CCN(Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000001671574 557279826 /nfs/dbraw/zinc/27/98/26/557279826.db2.gz YUVNSJUFIXOJHN-UHFFFAOYSA-N 0 1 416.568 6.530 40 0 HKABMN COc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl ZINC000001687352 557280822 /nfs/dbraw/zinc/28/08/22/557280822.db2.gz LXTWGNTXYNZDNB-UHFFFAOYSA-N 0 1 420.934 6.912 40 0 HKABMN c1ccc(CN2C=C(c3ccccc3)N(C3CCCCC3)C(c3ccccc3)=C2)cc1 ZINC000001731063 557283556 /nfs/dbraw/zinc/28/35/56/557283556.db2.gz JSOOTFHJYYMOSZ-UHFFFAOYSA-N 0 1 406.573 7.134 40 0 HKABMN O=P(NC(=S)Nc1ccc(Cl)cn1)(Oc1ccccc1)Oc1ccccc1 ZINC000001751629 557284856 /nfs/dbraw/zinc/28/48/56/557284856.db2.gz YYCRMBRUTHSPQF-UHFFFAOYSA-N 0 1 419.830 5.288 40 0 HKABMN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 ZINC000002406893 557705267 /nfs/dbraw/zinc/70/52/67/557705267.db2.gz WHZYEDGTWVFQTK-OYDLWJJNSA-N 0 1 415.961 5.226 40 0 HKABMN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC ZINC000002448672 560559846 /nfs/dbraw/zinc/55/98/46/560559846.db2.gz SCUTXQRXFFYAIA-IGKWTDBASA-N 0 1 415.961 5.226 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCCCC2)c1C ZINC000002546433 569166517 /nfs/dbraw/zinc/16/65/17/569166517.db2.gz LJGUUEAXMPCDBS-HSZRJFAPSA-N 0 1 422.569 6.332 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCCCC2)c1C ZINC000002546436 569166567 /nfs/dbraw/zinc/16/65/67/569166567.db2.gz LJGUUEAXMPCDBS-QHCPKHFHSA-N 0 1 422.569 6.332 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CCCC2)c1C ZINC000002546450 569166615 /nfs/dbraw/zinc/16/66/15/569166615.db2.gz YUCVWCWMJIOHNV-JOCHJYFZSA-N 0 1 424.997 6.456 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CCCC2)c1C ZINC000002546452 569166635 /nfs/dbraw/zinc/16/66/35/569166635.db2.gz YUCVWCWMJIOHNV-QFIPXVFZSA-N 0 1 424.997 6.456 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)N2CCCCC2)c1C ZINC000002546497 569166667 /nfs/dbraw/zinc/16/66/67/569166667.db2.gz TVQOFRXHPKIJRS-HSZRJFAPSA-N 0 1 422.569 6.332 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)N2CCCCC2)c1C ZINC000002546500 569166630 /nfs/dbraw/zinc/16/66/30/569166630.db2.gz TVQOFRXHPKIJRS-QHCPKHFHSA-N 0 1 422.569 6.332 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCCCC2)c1C ZINC000002546530 569166607 /nfs/dbraw/zinc/16/66/07/569166607.db2.gz KSOHPOCEWBGZKN-HSZRJFAPSA-N 0 1 422.569 6.332 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CCCCC2)c1C ZINC000002546533 569166611 /nfs/dbraw/zinc/16/66/11/569166611.db2.gz KSOHPOCEWBGZKN-QHCPKHFHSA-N 0 1 422.569 6.332 40 0 HKABMN C[C@@H]1C[C@H](N[C@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1 ZINC000002577838 568784705 /nfs/dbraw/zinc/78/47/05/568784705.db2.gz RTTSRQHDBYZLNL-CZSZKKDXSA-N 0 1 421.521 6.097 40 0 HKABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc3ccccc32)cc1 ZINC000003065911 569024496 /nfs/dbraw/zinc/02/44/96/569024496.db2.gz IEKIANFGONFHCF-UHFFFAOYSA-N 0 1 416.502 5.201 40 0 HKABMN c1cncc(-c2nc3cc(Cc4ccc5nc(-c6cccnc6)[nH]c5c4)ccc3[nH]2)c1 ZINC000003583996 557493825 /nfs/dbraw/zinc/49/38/25/557493825.db2.gz FJIAQUVDRLYTNG-UHFFFAOYSA-N 0 1 402.461 5.154 40 0 HKABMN c1cncc(-c2nc3ccc(Cc4ccc5nc(-c6cccnc6)[nH]c5c4)cc3[nH]2)c1 ZINC000003583996 557493829 /nfs/dbraw/zinc/49/38/29/557493829.db2.gz FJIAQUVDRLYTNG-UHFFFAOYSA-N 0 1 402.461 5.154 40 0 HKABMN COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)Sc3cc(C)ccc3N2)cc1 ZINC000003846937 557500552 /nfs/dbraw/zinc/50/05/52/557500552.db2.gz PQIBVOSMZXTCRM-DEOSSOPVSA-N 0 1 402.563 6.370 40 0 HKABMN COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)Sc3cc(C)ccc3N2)cc1 ZINC000003846938 557500562 /nfs/dbraw/zinc/50/05/62/557500562.db2.gz PQIBVOSMZXTCRM-XMMPIXPASA-N 0 1 402.563 6.370 40 0 HKABMN COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)Sc3cc(OC)ccc3N2)cc1 ZINC000003846939 557500600 /nfs/dbraw/zinc/50/06/00/557500600.db2.gz RXQNMWIFHUHAEH-DEOSSOPVSA-N 0 1 418.562 6.070 40 0 HKABMN COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)Sc3cc(OC)ccc3N2)cc1 ZINC000003846940 557500652 /nfs/dbraw/zinc/50/06/52/557500652.db2.gz RXQNMWIFHUHAEH-XMMPIXPASA-N 0 1 418.562 6.070 40 0 HKABMN Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1Br ZINC000004406979 557552299 /nfs/dbraw/zinc/55/22/99/557552299.db2.gz LCSUWCMFOUIPFV-UHFFFAOYSA-N 0 1 410.724 5.018 40 0 HKABMN CCCC[C@@H](CC)CO[P@](=O)(C[C@@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000004410224 557552569 /nfs/dbraw/zinc/55/25/69/557552569.db2.gz GOCVCBDBQYEFQD-HJMQJNHMSA-N 0 1 418.643 8.862 40 0 HKABMN CCCC[C@@H](CC)CO[P@](=O)(C[C@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000004410227 557552564 /nfs/dbraw/zinc/55/25/64/557552564.db2.gz GOCVCBDBQYEFQD-UHYSMRQQSA-N 0 1 418.643 8.862 40 0 HKABMN CCOC(=O)N1CCN(CCCCCCOc2ccccc2C2CCCCC2)CC1 ZINC000004416355 557553676 /nfs/dbraw/zinc/55/36/76/557553676.db2.gz CZWFEIPDFUMCFT-UHFFFAOYSA-N 0 1 416.606 5.448 40 0 HKABMN CCOC(=O)N1CCN(CCCCCOc2ccccc2C2CCCCC2)CC1 ZINC000004429336 557554789 /nfs/dbraw/zinc/55/47/89/557554789.db2.gz JMEITPHRYWRYSY-UHFFFAOYSA-N 0 1 402.579 5.058 40 0 HKABMN CCOC(=O)N1CCN(CCCCCCOc2ccc(C3CCCCC3)cc2)CC1 ZINC000004429337 557554819 /nfs/dbraw/zinc/55/48/19/557554819.db2.gz CSNVOYNPHPLBAR-UHFFFAOYSA-N 0 1 416.606 5.448 40 0 HKABMN c1ccc(-c2nc3cc(Oc4ccc5nc(-c6ccccc6)[nH]c5c4)ccc3[nH]2)cc1 ZINC000004615159 557572719 /nfs/dbraw/zinc/57/27/19/557572719.db2.gz WKXRIOWEJGUTQK-UHFFFAOYSA-N 0 1 402.457 6.566 40 0 HKABMN Fc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCCC6)[nH]n2)cc1 ZINC000004626246 557574030 /nfs/dbraw/zinc/57/40/30/557574030.db2.gz QUWKFPSLNSVZNE-UHFFFAOYSA-N 0 1 418.501 5.194 40 0 HKABMN c1cc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCCC6)[nH]n2)cs1 ZINC000004626247 557574040 /nfs/dbraw/zinc/57/40/40/557574040.db2.gz IJSQSSDFUONNQZ-UHFFFAOYSA-N 0 1 406.540 5.117 40 0 HKABMN O[C@]1(c2ccccc2)O[C@@H](c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000004792095 557598183 /nfs/dbraw/zinc/59/81/83/557598183.db2.gz GRJGBWAPFPDRSY-SSBOKUKZSA-N 0 1 421.540 5.847 40 0 HKABMN O[C@]1(c2ccccc2)O[C@H](c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000004792096 557598197 /nfs/dbraw/zinc/59/81/97/557598197.db2.gz GRJGBWAPFPDRSY-YTCPBCGMSA-N 0 1 421.540 5.847 40 0 HKABMN O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1Cl ZINC000004836007 560609261 /nfs/dbraw/zinc/60/92/61/560609261.db2.gz MZWYUNNGWCBUHG-UHFFFAOYSA-N 0 1 401.959 5.609 40 0 HKABMN O=C1C(=Nc2ccc(Cl)cc2)C[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000004854542 560611764 /nfs/dbraw/zinc/61/17/64/560611764.db2.gz CHIOJYKYDDJNKL-NRFANRHFSA-N 0 1 413.279 6.216 40 0 HKABMN O=C1C(=Nc2ccc(Cl)cc2)C[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000004854544 560611845 /nfs/dbraw/zinc/61/18/45/560611845.db2.gz CHIOJYKYDDJNKL-OAQYLSRUSA-N 0 1 413.279 6.216 40 0 HKABMN O=C(C=C(O)CCc1ccccc1)CCCCCC(O)=CC(=O)CCc1ccccc1 ZINC000004877580 557609015 /nfs/dbraw/zinc/60/90/15/557609015.db2.gz INXMFTOKOMKMOL-UHFFFAOYSA-N 0 1 420.549 5.259 40 0 HKABMN Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000004902559 569071594 /nfs/dbraw/zinc/07/15/94/569071594.db2.gz FKKHEAVLIVRBOM-UHFFFAOYSA-N 0 1 416.506 5.303 40 0 HKABMN Cc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(Cl)c(Cl)c1 ZINC000004996476 560619537 /nfs/dbraw/zinc/61/95/37/560619537.db2.gz AICUABOOVSREPL-UHFFFAOYSA-N 0 1 404.274 5.904 40 0 HKABMN C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000005001879 560620288 /nfs/dbraw/zinc/62/02/88/560620288.db2.gz ILCVGMVNBLKSBN-INIZCTEOSA-N 0 1 417.900 5.734 40 0 HKABMN C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000005001879 560620290 /nfs/dbraw/zinc/62/02/90/560620290.db2.gz ILCVGMVNBLKSBN-INIZCTEOSA-N 0 1 417.900 5.734 40 0 HKABMN C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000005001880 560620364 /nfs/dbraw/zinc/62/03/64/560620364.db2.gz ILCVGMVNBLKSBN-MRXNPFEDSA-N 0 1 417.900 5.734 40 0 HKABMN C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000005001880 560620366 /nfs/dbraw/zinc/62/03/66/560620366.db2.gz ILCVGMVNBLKSBN-MRXNPFEDSA-N 0 1 417.900 5.734 40 0 HKABMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)N(c1ccccc1)c1ccccc1 ZINC000005001903 560620309 /nfs/dbraw/zinc/62/03/09/560620309.db2.gz HFPOPADTYLPSCM-UHFFFAOYSA-N 0 1 417.900 5.216 40 0 HKABMN CCCCN(CCCC)CC(=O)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1 ZINC000005030903 569255676 /nfs/dbraw/zinc/25/56/76/569255676.db2.gz XKYKKTDPUUKGSR-UHFFFAOYSA-N 0 1 424.516 5.440 40 0 HKABMN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 ZINC000005163662 568441920 /nfs/dbraw/zinc/44/19/20/568441920.db2.gz WHZYEDGTWVFQTK-QDSKXPNFSA-N 0 1 415.961 5.226 40 0 HKABMN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC ZINC000005215228 568442571 /nfs/dbraw/zinc/44/25/71/568442571.db2.gz SCUTXQRXFFYAIA-YGOYIFOWSA-N 0 1 415.961 5.226 40 0 HKABMN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 ZINC000005217035 568442802 /nfs/dbraw/zinc/44/28/02/568442802.db2.gz GLHGQZPOQWRWTJ-OYDLWJJNSA-N 0 1 415.961 5.226 40 0 HKABMN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 ZINC000005217038 568442776 /nfs/dbraw/zinc/44/27/76/568442776.db2.gz GLHGQZPOQWRWTJ-QDSKXPNFSA-N 0 1 415.961 5.226 40 0 HKABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000005249542 569328485 /nfs/dbraw/zinc/32/84/85/569328485.db2.gz VHSCDYSMUQXGJY-UHFFFAOYSA-N 0 1 416.502 5.201 40 0 HKABMN COc1ccc(NC(=O)c2ccc(CSc3nc4ccc(OC)cc4[nH]3)cc2)cc1 ZINC000005489850 568443833 /nfs/dbraw/zinc/44/38/33/568443833.db2.gz QEAXAINJJQEKRX-UHFFFAOYSA-N 0 1 419.506 5.125 40 0 HKABMN Cc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)[nH]c2c1 ZINC000005490465 568443855 /nfs/dbraw/zinc/44/38/55/568443855.db2.gz ZAFMHWMNOYUISN-UHFFFAOYSA-N 0 1 401.535 6.033 40 0 HKABMN COc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)[nH]c2c1 ZINC000005490466 568443829 /nfs/dbraw/zinc/44/38/29/568443829.db2.gz BNETWLYBERUAJQ-UHFFFAOYSA-N 0 1 417.534 5.733 40 0 HKABMN Cc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000005490815 568445467 /nfs/dbraw/zinc/44/54/67/568445467.db2.gz DTBZDRQEOITHQT-UHFFFAOYSA-N 0 1 407.926 6.069 40 0 HKABMN COc1ccc(NC(=O)c2ccc(CSc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000005490818 568445458 /nfs/dbraw/zinc/44/54/58/568445458.db2.gz LCRMBVRHCORKFL-UHFFFAOYSA-N 0 1 403.507 5.425 40 0 HKABMN Cc1ccc2ccccc2c1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 ZINC000005519671 560626821 /nfs/dbraw/zinc/62/68/21/560626821.db2.gz FKEXTBUXUWYVAO-UHFFFAOYSA-N 0 1 408.914 5.318 40 0 HKABMN CCc1cccc(CC)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000005598720 568936065 /nfs/dbraw/zinc/93/60/65/568936065.db2.gz BGUYJBLLMZUMKR-UHFFFAOYSA-N 0 1 422.550 5.173 40 0 HKABMN Cc1ccc2[nH]c(C3CCN(CC(=O)N(c4ccccc4)c4ccccc4)CC3)nc2c1 ZINC000005626050 560627989 /nfs/dbraw/zinc/62/79/89/560627989.db2.gz OKPHGLOVVIPOCR-UHFFFAOYSA-N 0 1 424.548 5.416 40 0 HKABMN Cc1ccc2nc(C3CCN(CC(=O)N(c4ccccc4)c4ccccc4)CC3)[nH]c2c1 ZINC000005626050 560627991 /nfs/dbraw/zinc/62/79/91/560627991.db2.gz OKPHGLOVVIPOCR-UHFFFAOYSA-N 0 1 424.548 5.416 40 0 HKABMN CCc1cc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677863 569255885 /nfs/dbraw/zinc/25/58/85/569255885.db2.gz OJYZXJNNLNKVIL-HSZRJFAPSA-N 0 1 422.569 6.277 40 0 HKABMN CCc1cc([C@@H](c2cccc(F)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677865 569255890 /nfs/dbraw/zinc/25/58/90/569255890.db2.gz LDLNVECTOLWOHN-HSZRJFAPSA-N 0 1 422.569 6.277 40 0 HKABMN CCc1cc([C@H](c2ccc(F)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677872 569255895 /nfs/dbraw/zinc/25/58/95/569255895.db2.gz OJYZXJNNLNKVIL-QHCPKHFHSA-N 0 1 422.569 6.277 40 0 HKABMN CCc1cc([C@H](c2cccc(F)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677877 569255925 /nfs/dbraw/zinc/25/59/25/569255925.db2.gz LDLNVECTOLWOHN-QHCPKHFHSA-N 0 1 422.569 6.277 40 0 HKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000005721686 569255901 /nfs/dbraw/zinc/25/59/01/569255901.db2.gz NXWSVJRTUXXYND-QFIPXVFZSA-N 0 1 408.542 5.942 40 0 HKABMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)[nH]c2c1 ZINC000005988475 560628665 /nfs/dbraw/zinc/62/86/65/560628665.db2.gz YYPAOTQVHFMHHO-HXUWFJFHSA-N 0 1 410.521 5.950 40 0 HKABMN Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)[nH]c2c1 ZINC000005988507 560628650 /nfs/dbraw/zinc/62/86/50/560628650.db2.gz YYPAOTQVHFMHHO-FQEVSTJZSA-N 0 1 410.521 5.950 40 0 HKABMN Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000006024046 569329307 /nfs/dbraw/zinc/32/93/07/569329307.db2.gz UGZQFQMSJAVTCA-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000006024057 560739453 /nfs/dbraw/zinc/73/94/53/560739453.db2.gz TYOXBGNMNOLDQG-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN CCc1nnc(C2=C(O)C(=Cc3c4ccccc4cc4ccccc43)SC2=N)s1 ZINC000006160414 569329589 /nfs/dbraw/zinc/32/95/89/569329589.db2.gz IWVICFUTMGXZKU-STZOPLDQSA-N 0 1 415.543 5.825 40 0 HKABMN CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)c2ccccc12 ZINC000006160417 569329623 /nfs/dbraw/zinc/32/96/23/569329623.db2.gz PPMIFVWXGLCXHF-WDGURZEJSA-N 0 1 409.536 5.070 40 0 HKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2Cl)cc1 ZINC000006213930 569329998 /nfs/dbraw/zinc/32/99/98/569329998.db2.gz XHSWZDAJZXLTFY-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1C ZINC000006213962 569329907 /nfs/dbraw/zinc/32/99/07/569329907.db2.gz GVVSGNQBTDDWII-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1 ZINC000006297211 569330547 /nfs/dbraw/zinc/33/05/47/569330547.db2.gz IOYSJDBNAJIWAP-RPPGKUMJSA-N 0 1 401.388 5.134 40 0 HKABMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)nc1 ZINC000006297346 569330535 /nfs/dbraw/zinc/33/05/35/569330535.db2.gz ZDXZSGSRCSKZHI-PGGKNCGUSA-N 0 1 400.187 6.113 40 0 HKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000006352382 569331330 /nfs/dbraw/zinc/33/13/30/569331330.db2.gz CHROEUURYKMQIY-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000006368756 560741342 /nfs/dbraw/zinc/74/13/42/560741342.db2.gz RSHFZDDROFLRSC-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006464521 568936673 /nfs/dbraw/zinc/93/66/73/568936673.db2.gz XGYONAAGJOZHRO-XYOPDGACSA-N 0 1 407.554 5.172 40 0 HKABMN CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006464563 568936643 /nfs/dbraw/zinc/93/66/43/568936643.db2.gz XGYONAAGJOZHRO-YVMFTWTESA-N 0 1 407.554 5.172 40 0 HKABMN c1ccc(Cc2nc3ccc(-c4ccc5[nH]c(Cc6ccccc6)nc5c4)cc3[nH]2)cc1 ZINC000006554170 557707597 /nfs/dbraw/zinc/70/75/97/557707597.db2.gz FGXZMVXCOGRMIY-UHFFFAOYSA-N 0 1 414.512 6.288 40 0 HKABMN c1ccc(Cc2nc3ccc(-c4ccc5nc(Cc6ccccc6)[nH]c5c4)cc3[nH]2)cc1 ZINC000006554170 557707601 /nfs/dbraw/zinc/70/76/01/557707601.db2.gz FGXZMVXCOGRMIY-UHFFFAOYSA-N 0 1 414.512 6.288 40 0 HKABMN Cc1cc(C)c(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c(C)c1 ZINC000006681759 560632459 /nfs/dbraw/zinc/63/24/59/560632459.db2.gz VUQQELVFGYKAEN-UHFFFAOYSA-N 0 1 414.552 5.035 40 0 HKABMN c1csc(-c2nc3ccc(Cc4ccc5[nH]c(-c6cccs6)nc5c4)cc3[nH]2)c1 ZINC000006694563 557715548 /nfs/dbraw/zinc/71/55/48/557715548.db2.gz PUUVMUQEUIULHP-UHFFFAOYSA-N 0 1 412.543 6.487 40 0 HKABMN c1csc(-c2nc3ccc(Cc4ccc5nc(-c6cccs6)[nH]c5c4)cc3[nH]2)c1 ZINC000006694563 557715550 /nfs/dbraw/zinc/71/55/50/557715550.db2.gz PUUVMUQEUIULHP-UHFFFAOYSA-N 0 1 412.543 6.487 40 0 HKABMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 ZINC000006706996 569334459 /nfs/dbraw/zinc/33/44/59/569334459.db2.gz KEYLEIKVYRSFHT-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 ZINC000006837186 569334706 /nfs/dbraw/zinc/33/47/06/569334706.db2.gz DQYGWNVDPPBXCP-UHFFFAOYSA-N 0 1 407.326 5.126 40 0 HKABMN CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000006870232 557727633 /nfs/dbraw/zinc/72/76/33/557727633.db2.gz ZZWVNLOOABHVFX-UHFFFAOYSA-N 0 1 417.336 5.656 40 0 HKABMN CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1F ZINC000006870237 557727662 /nfs/dbraw/zinc/72/76/62/557727662.db2.gz QSJJWUOTIXVOJD-UHFFFAOYSA-N 0 1 400.881 5.142 40 0 HKABMN CCOc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000006870257 557727682 /nfs/dbraw/zinc/72/76/82/557727682.db2.gz HYOGFXBZFOBJND-UHFFFAOYSA-N 0 1 417.336 5.656 40 0 HKABMN CCOc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000006870258 557727743 /nfs/dbraw/zinc/72/77/43/557727743.db2.gz DORZBHLXBJGPBQ-UHFFFAOYSA-N 0 1 417.336 5.656 40 0 HKABMN CCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000006870259 557727691 /nfs/dbraw/zinc/72/76/91/557727691.db2.gz AQIJDYMAHXLOBW-UHFFFAOYSA-N 0 1 417.336 5.656 40 0 HKABMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000006963635 569336406 /nfs/dbraw/zinc/33/64/06/569336406.db2.gz CHPOEUOXZFSYCK-UHFFFAOYSA-N 0 1 403.887 5.332 40 0 HKABMN COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1Cl ZINC000007274920 557738716 /nfs/dbraw/zinc/73/87/16/557738716.db2.gz GWKHMEPXMCHDNW-UHFFFAOYSA-N 0 1 403.309 5.266 40 0 HKABMN COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1Cl ZINC000007274922 557738640 /nfs/dbraw/zinc/73/86/40/557738640.db2.gz QRYIVWXDGBIOSQ-UHFFFAOYSA-N 0 1 403.309 5.266 40 0 HKABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1OCC ZINC000007360599 569337191 /nfs/dbraw/zinc/33/71/91/569337191.db2.gz BPYBMRJFDPYAPT-UHFFFAOYSA-N 0 1 413.495 5.077 40 0 HKABMN CCOc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007523634 557744935 /nfs/dbraw/zinc/74/49/35/557744935.db2.gz QGMZSIZQNCXNDS-UHFFFAOYSA-N 0 1 406.309 5.854 40 0 HKABMN COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000007525194 557744921 /nfs/dbraw/zinc/74/49/21/557744921.db2.gz AQEGKADEHCKGOH-UHFFFAOYSA-N 0 1 416.348 6.179 40 0 HKABMN Cc1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000007537911 557745596 /nfs/dbraw/zinc/74/55/96/557745596.db2.gz DHZOBVOYLTXCQD-UHFFFAOYSA-N 0 1 414.318 5.765 40 0 HKABMN Cc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000007537919 557745671 /nfs/dbraw/zinc/74/56/71/557745671.db2.gz BILPIMZANMIXTA-UHFFFAOYSA-N 0 1 414.318 5.765 40 0 HKABMN CCOc1c(Br)cc(Br)cc1CNCc1ccc(C)cc1 ZINC000007538157 560751482 /nfs/dbraw/zinc/75/14/82/560751482.db2.gz QIBSKZYRENZNCJ-UHFFFAOYSA-N 0 1 413.153 5.209 40 0 HKABMN COc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000007538387 557745910 /nfs/dbraw/zinc/74/59/10/557745910.db2.gz YAYQYCDKSJBBGJ-UHFFFAOYSA-N 0 1 412.327 5.327 40 0 HKABMN COc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000007538455 557745951 /nfs/dbraw/zinc/74/59/51/557745951.db2.gz METCPXIEEOMIFP-UHFFFAOYSA-N 0 1 402.321 5.871 40 0 HKABMN COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1cccs1 ZINC000007539905 560751643 /nfs/dbraw/zinc/75/16/43/560751643.db2.gz NENXUDKTJOGROF-UHFFFAOYSA-N 0 1 417.914 5.008 40 0 HKABMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000007605096 559255382 /nfs/dbraw/zinc/25/53/82/559255382.db2.gz RQQVXBMXERWHGA-UHFFFAOYSA-N 0 1 400.718 5.733 40 0 HKABMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000008022520 569338828 /nfs/dbraw/zinc/33/88/28/569338828.db2.gz XTMXJOIOGUCLQU-HSZRJFAPSA-N 0 1 421.537 5.203 40 0 HKABMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000008022540 569338874 /nfs/dbraw/zinc/33/88/74/569338874.db2.gz XTMXJOIOGUCLQU-QHCPKHFHSA-N 0 1 421.537 5.203 40 0 HKABMN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1F ZINC000008041044 569339242 /nfs/dbraw/zinc/33/92/42/569339242.db2.gz OPVADNDFZRBEAI-UHFFFAOYSA-N 0 1 407.850 5.081 40 0 HKABMN CCOc1c(Br)cc(Br)cc1CN[C@@H](C)c1ccccc1 ZINC000008253323 560753440 /nfs/dbraw/zinc/75/34/40/560753440.db2.gz XDNYLCKMTFWZDQ-LBPRGKRZSA-N 0 1 413.153 5.461 40 0 HKABMN CCOc1c(Br)cc(Br)cc1CN[C@H](C)c1ccccc1 ZINC000008253324 560753414 /nfs/dbraw/zinc/75/34/14/560753414.db2.gz XDNYLCKMTFWZDQ-GFCCVEGCSA-N 0 1 413.153 5.461 40 0 HKABMN CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254008 557778259 /nfs/dbraw/zinc/77/82/59/557778259.db2.gz SFABBJYHWOWFJD-UHFFFAOYSA-N 0 1 417.883 5.886 40 0 HKABMN CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000008254084 557778468 /nfs/dbraw/zinc/77/84/68/557778468.db2.gz HWGOJBNZUUCYSA-UHFFFAOYSA-N 0 1 416.348 6.261 40 0 HKABMN CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000008254175 557778454 /nfs/dbraw/zinc/77/84/54/557778454.db2.gz BJWWKVIKZJRURO-UHFFFAOYSA-N 0 1 417.883 5.886 40 0 HKABMN CCOc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008254546 557778743 /nfs/dbraw/zinc/77/87/43/557778743.db2.gz BQQJUONGOHBDAJ-UHFFFAOYSA-N 0 1 416.348 6.261 40 0 HKABMN CCOc1cc(CNCc2ccccc2Cl)ccc1OCc1ccccc1Cl ZINC000008254714 557778700 /nfs/dbraw/zinc/77/87/00/557778700.db2.gz UDPJJMMQAHUFNQ-UHFFFAOYSA-N 0 1 416.348 6.261 40 0 HKABMN Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 ZINC000008333641 569340094 /nfs/dbraw/zinc/34/00/94/569340094.db2.gz MYLNPKJTVRAPNN-UHFFFAOYSA-N 0 1 401.915 5.858 40 0 HKABMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000008336422 560754228 /nfs/dbraw/zinc/75/42/28/560754228.db2.gz LSJXBMAAWDNONA-UHFFFAOYSA-N 0 1 403.887 5.250 40 0 HKABMN Clc1ccc(COc2ccc(Cl)cc2CNCc2ccncc2)c(Cl)c1 ZINC000008418061 557787431 /nfs/dbraw/zinc/78/74/31/557787431.db2.gz QKWSRUUFVYHBJD-UHFFFAOYSA-N 0 1 407.728 5.911 40 0 HKABMN Clc1ccc(COc2ccc(Br)cc2CNCc2ccncc2)cc1 ZINC000008418811 557787414 /nfs/dbraw/zinc/78/74/14/557787414.db2.gz OMJRKAPRZGNSCG-UHFFFAOYSA-N 0 1 417.734 5.366 40 0 HKABMN Clc1ccc(COc2ccc(Br)cc2CNCc2cccnc2)cc1 ZINC000008419367 557787401 /nfs/dbraw/zinc/78/74/01/557787401.db2.gz OLAJPQLBMSZVHV-UHFFFAOYSA-N 0 1 417.734 5.366 40 0 HKABMN Clc1ccccc1COc1ccc(Br)cc1CNCc1cccnc1 ZINC000008435788 557788870 /nfs/dbraw/zinc/78/88/70/557788870.db2.gz BWAKLJAOBAWGDW-UHFFFAOYSA-N 0 1 417.734 5.366 40 0 HKABMN Clc1ccccc1COc1ccc(Br)cc1CNCc1ccncc1 ZINC000008435791 557788971 /nfs/dbraw/zinc/78/89/71/557788971.db2.gz GPXHGDGHHGOUIB-UHFFFAOYSA-N 0 1 417.734 5.366 40 0 HKABMN O=C(CN(c1n[nH]c(=S)s1)c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000008436104 568501080 /nfs/dbraw/zinc/50/10/80/568501080.db2.gz PXZYBAFFQXCPHI-UHFFFAOYSA-N 0 1 411.339 5.284 40 0 HKABMN O=C(CN(c1n[nH]c(=S)s1)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000008436105 568501114 /nfs/dbraw/zinc/50/11/14/568501114.db2.gz YSAJBFNWSIHYIT-UHFFFAOYSA-N 0 1 411.339 5.284 40 0 HKABMN O=C(CN(c1n[nH]c(=S)s1)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000008436106 568501104 /nfs/dbraw/zinc/50/11/04/568501104.db2.gz DATIFSSISLKQRM-UHFFFAOYSA-N 0 1 411.339 5.284 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000008470376 557792027 /nfs/dbraw/zinc/79/20/27/557792027.db2.gz LGLLEWRVVJYOPW-UHFFFAOYSA-N 0 1 402.321 5.871 40 0 HKABMN COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000008470501 557792091 /nfs/dbraw/zinc/79/20/91/557792091.db2.gz FGYFWTLQOPLKBU-UHFFFAOYSA-N 0 1 403.856 5.496 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1cccs1 ZINC000008470617 560755237 /nfs/dbraw/zinc/75/52/37/560755237.db2.gz REFXTMYIUMJLOY-UHFFFAOYSA-N 0 1 408.350 5.932 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008471531 557791994 /nfs/dbraw/zinc/79/19/94/557791994.db2.gz UGIHZIKLBQJOAJ-UHFFFAOYSA-N 0 1 402.321 5.871 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 ZINC000008471948 557792242 /nfs/dbraw/zinc/79/22/42/557792242.db2.gz IFVUEOYGFQZONA-UHFFFAOYSA-N 0 1 402.321 5.871 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccccc1Cl ZINC000008472186 557792238 /nfs/dbraw/zinc/79/22/38/557792238.db2.gz IPGMIWGJUUJVGZ-UHFFFAOYSA-N 0 1 402.321 5.871 40 0 HKABMN COc1cccc(CNCc2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008495450 557793537 /nfs/dbraw/zinc/79/35/37/557793537.db2.gz RYDMGNHTGMXHHJ-UHFFFAOYSA-N 0 1 402.321 5.871 40 0 HKABMN COc1cccc(CNCc2cccs2)c1OCc1ccc(Cl)cc1Cl ZINC000008495454 557793562 /nfs/dbraw/zinc/79/35/62/557793562.db2.gz UQVIUMCIKJYXJI-UHFFFAOYSA-N 0 1 408.350 5.932 40 0 HKABMN C[C@H](NCc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 ZINC000008534242 557793963 /nfs/dbraw/zinc/79/39/63/557793963.db2.gz ZYBKZFFVQHDYBD-INIZCTEOSA-N 0 1 414.318 6.018 40 0 HKABMN COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008534278 557793981 /nfs/dbraw/zinc/79/39/81/557793981.db2.gz PGAUJSPEOGTDTI-INIZCTEOSA-N 0 1 416.348 6.432 40 0 HKABMN C[C@@H](NCc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 ZINC000008535314 557794261 /nfs/dbraw/zinc/79/42/61/557794261.db2.gz ZYBKZFFVQHDYBD-MRXNPFEDSA-N 0 1 414.318 6.018 40 0 HKABMN COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008535348 557794300 /nfs/dbraw/zinc/79/43/00/557794300.db2.gz PGAUJSPEOGTDTI-MRXNPFEDSA-N 0 1 416.348 6.432 40 0 HKABMN CC(=O)O[C@@H]1CC[C@H]2[C@H]3CCC4=Cc5[nH]nc(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C ZINC000008615170 557796899 /nfs/dbraw/zinc/79/68/99/557796899.db2.gz RMQCASHVRADDSY-STAGHVTPSA-N 0 1 422.491 5.542 40 0 HKABMN CC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=Cc5[nH]nc(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C ZINC000008615171 557796859 /nfs/dbraw/zinc/79/68/59/557796859.db2.gz RMQCASHVRADDSY-UFAOCZHDSA-N 0 1 422.491 5.542 40 0 HKABMN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=Cc5[nH]nc(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C ZINC000008615172 557796835 /nfs/dbraw/zinc/79/68/35/557796835.db2.gz RMQCASHVRADDSY-RQUQERSASA-N 0 1 422.491 5.542 40 0 HKABMN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=Cc5[nH]nc(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000008615173 557796818 /nfs/dbraw/zinc/79/68/18/557796818.db2.gz RMQCASHVRADDSY-PIIMTLLZSA-N 0 1 422.491 5.542 40 0 HKABMN Cc1ccc2nc(-c3cccnc3SCC(=O)N3c4ccccc4C[C@@H]3C)[nH]c2c1 ZINC000008670222 560638018 /nfs/dbraw/zinc/63/80/18/560638018.db2.gz GNTORSDNBSXIGO-INIZCTEOSA-N 0 1 414.534 5.003 40 0 aggregator HKABMN Cc1ccc2nc(-c3cccnc3SCC(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1 ZINC000008670409 560638016 /nfs/dbraw/zinc/63/80/16/560638016.db2.gz GNTORSDNBSXIGO-MRXNPFEDSA-N 0 1 414.534 5.003 40 0 aggregator HKABMN C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000009062647 569342143 /nfs/dbraw/zinc/34/21/43/569342143.db2.gz VDHLIRCZRAPUMV-SFHVURJKSA-N 0 1 413.005 5.727 40 0 HKABMN C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000009062648 569342165 /nfs/dbraw/zinc/34/21/65/569342165.db2.gz VDHLIRCZRAPUMV-GOSISDBHSA-N 0 1 413.005 5.727 40 0 HKABMN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063195 569342355 /nfs/dbraw/zinc/34/23/55/569342355.db2.gz UJZPFEWVCKLMJF-UHFFFAOYSA-N 0 1 420.940 5.983 40 0 HKABMN O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063201 569342329 /nfs/dbraw/zinc/34/23/29/569342329.db2.gz VHZDTIWBMWFZGT-UHFFFAOYSA-N 0 1 423.409 5.114 40 0 HKABMN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063204 569342357 /nfs/dbraw/zinc/34/23/57/569342357.db2.gz FRVLXVUPRXGQNB-UHFFFAOYSA-N 0 1 411.760 5.175 40 0 HKABMN O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063253 569342387 /nfs/dbraw/zinc/34/23/87/569342387.db2.gz NAKPDJLXDYDAQR-UHFFFAOYSA-N 0 1 404.941 5.858 40 0 HKABMN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063257 569342331 /nfs/dbraw/zinc/34/23/31/569342331.db2.gz HTCDDMMKMIIRJK-UHFFFAOYSA-N 0 1 420.940 5.983 40 0 HKABMN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063289 569342391 /nfs/dbraw/zinc/34/23/91/569342391.db2.gz YPKOBVVCONTKJZ-UHFFFAOYSA-N 0 1 411.760 5.175 40 0 HKABMN Cc1cc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)ccc1Br ZINC000009063298 569342347 /nfs/dbraw/zinc/34/23/47/569342347.db2.gz OXYQBYGFPVWIIX-UHFFFAOYSA-N 0 1 421.766 5.262 40 0 HKABMN O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000009063300 569342365 /nfs/dbraw/zinc/34/23/65/569342365.db2.gz NTJFRBUYEFGBFS-UHFFFAOYSA-N 0 1 410.989 5.033 40 0 HKABMN O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063349 569342421 /nfs/dbraw/zinc/34/24/21/569342421.db2.gz BUKPBDXRCLMPDH-UHFFFAOYSA-N 0 1 404.941 5.858 40 0 HKABMN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063354 569342455 /nfs/dbraw/zinc/34/24/55/569342455.db2.gz PIPUBAXQNTUAAH-UHFFFAOYSA-N 0 1 420.940 5.983 40 0 HKABMN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063362 569342491 /nfs/dbraw/zinc/34/24/91/569342491.db2.gz VYAIBWMLPSYZPW-UHFFFAOYSA-N 0 1 418.968 5.458 40 0 HKABMN O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063440 569342453 /nfs/dbraw/zinc/34/24/53/569342453.db2.gz OBPHEQPWWBLZJX-UHFFFAOYSA-N 0 1 404.941 5.858 40 0 HKABMN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000009063464 569342425 /nfs/dbraw/zinc/34/24/25/569342425.db2.gz YFUQAHNWBUZCKR-UHFFFAOYSA-N 0 1 404.485 5.469 40 0 HKABMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccccc2F)CC1 ZINC000009063486 569342493 /nfs/dbraw/zinc/34/24/93/569342493.db2.gz SCBXKNDWZRIZMC-UHFFFAOYSA-N 0 1 414.830 5.349 40 0 HKABMN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2ccccc2F)CC1 ZINC000009063551 569342405 /nfs/dbraw/zinc/34/24/05/569342405.db2.gz HYHANIXEPMAKFH-UHFFFAOYSA-N 0 1 415.723 5.637 40 0 HKABMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cccc(Cl)c1Cl ZINC000009198075 557828215 /nfs/dbraw/zinc/82/82/15/557828215.db2.gz VEFKTRPNSLUWMQ-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000009198082 557828204 /nfs/dbraw/zinc/82/82/04/557828204.db2.gz QCAXAWANFNMDKN-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc(Cl)cc1Cl ZINC000009198090 557828254 /nfs/dbraw/zinc/82/82/54/557828254.db2.gz BPMRGKBUFPTUNM-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cc(Cl)ccc1Cl ZINC000009198099 557828244 /nfs/dbraw/zinc/82/82/44/557828244.db2.gz UGGZTPOFKZRICN-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCc3ccc(Br)cc3)n2)cc1 ZINC000009199357 557828631 /nfs/dbraw/zinc/82/86/31/557828631.db2.gz CGLLWMIJZVDQKA-UHFFFAOYSA-N 0 1 402.361 5.824 40 0 HKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000009199415 557828870 /nfs/dbraw/zinc/82/88/70/557828870.db2.gz OIKLOJCEFVPGMZ-UHFFFAOYSA-N 0 1 416.550 5.653 40 0 HKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000009199429 557828927 /nfs/dbraw/zinc/82/89/27/557828927.db2.gz BFLUFYFIMJMILX-UHFFFAOYSA-N 0 1 400.935 5.153 40 0 HKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000009199434 557828888 /nfs/dbraw/zinc/82/88/88/557828888.db2.gz ACTMNGGNVZPUOU-UHFFFAOYSA-N 0 1 400.935 5.153 40 0 HKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000009199441 557828921 /nfs/dbraw/zinc/82/89/21/557828921.db2.gz SYJIZSMAEBXIJC-UHFFFAOYSA-N 0 1 400.935 5.153 40 0 HKABMN Cc1ccc(NC(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1Cl ZINC000009199576 557828797 /nfs/dbraw/zinc/82/87/97/557828797.db2.gz HRALIBSQDDLTQL-UHFFFAOYSA-N 0 1 414.962 5.462 40 0 HKABMN Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000009199588 557828894 /nfs/dbraw/zinc/82/88/94/557828894.db2.gz JPZVMARXIAXSEW-UHFFFAOYSA-N 0 1 414.962 5.462 40 0 HKABMN Clc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1 ZINC000009204975 557829347 /nfs/dbraw/zinc/82/93/47/557829347.db2.gz MXXWZLVZHWALEF-UHFFFAOYSA-N 0 1 400.672 5.113 40 0 HKABMN O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000009694991 560760203 /nfs/dbraw/zinc/76/02/03/560760203.db2.gz GYSRLFGSQYNRBT-UHFFFAOYSA-N 0 1 408.306 5.728 40 0 HKABMN Cc1cc(C)c2nc(Nc3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157485 557856663 /nfs/dbraw/zinc/85/66/63/557856663.db2.gz FVVJLEASNVVNSB-HNNXBMFYSA-N 0 1 415.522 5.063 40 0 HKABMN Cc1cc(C)c2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157486 557856619 /nfs/dbraw/zinc/85/66/19/557856619.db2.gz FVVJLEASNVVNSB-OAHLLOKOSA-N 0 1 415.522 5.063 40 0 HKABMN CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccccc3F)CC2)nc2ccccn21 ZINC000012087465 558322374 /nfs/dbraw/zinc/32/23/74/558322374.db2.gz OIIYFSHTMADYEG-UHFFFAOYSA-N 0 1 422.548 5.023 40 0 HKABMN Cc1scc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)c1C ZINC000012087471 558322258 /nfs/dbraw/zinc/32/22/58/558322258.db2.gz YAQBJJYPCMXDCX-UHFFFAOYSA-N 0 1 410.587 5.243 40 0 HKABMN Cc1cc(C(=O)N2CCC(c3nc4ccc(F)cn4c3NC(C)(C)C)CC2)cs1 ZINC000012087492 558322364 /nfs/dbraw/zinc/32/23/64/558322364.db2.gz QDODNQWNBKVGNO-UHFFFAOYSA-N 0 1 414.550 5.074 40 0 HKABMN C[C@@H](C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1)c1ccccc1 ZINC000012127757 558331533 /nfs/dbraw/zinc/33/15/33/558331533.db2.gz ZEYWQNOSILPPQM-GOSISDBHSA-N 0 1 404.558 5.054 40 0 HKABMN C[C@H](C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1)c1ccccc1 ZINC000012127762 558331508 /nfs/dbraw/zinc/33/15/08/558331508.db2.gz ZEYWQNOSILPPQM-SFHVURJKSA-N 0 1 404.558 5.054 40 0 HKABMN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1 ZINC000012185619 558344988 /nfs/dbraw/zinc/34/49/88/558344988.db2.gz UHWMTMQQTHFRTN-DEOSSOPVSA-N 0 1 419.525 5.426 40 0 HKABMN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1 ZINC000012185623 558344893 /nfs/dbraw/zinc/34/48/93/558344893.db2.gz UHWMTMQQTHFRTN-XMMPIXPASA-N 0 1 419.525 5.426 40 0 HKABMN [NH2+]=C1c2c(nc(-c3ccccc3)cc2-c2ccccc2)S[C@]1(C(=O)[O-])c1ccccc1 ZINC000012249788 558362229 /nfs/dbraw/zinc/36/22/29/558362229.db2.gz SPOQLIWPWZDVMJ-AREMUKBSSA-N 0 1 422.509 5.869 40 0 HKABMN COc1cc(CNC2(c3ccccc3F)CCCC2)ccc1OCc1c(C)noc1C ZINC000012328724 558383686 /nfs/dbraw/zinc/38/36/86/558383686.db2.gz OMUGAWYMIRYDBI-UHFFFAOYSA-N 0 1 424.516 5.577 40 0 HKABMN O=P(N=c1ccc(Br)c[nH]1)(Oc1ccccc1)Oc1ccccc1 ZINC000013283278 558529186 /nfs/dbraw/zinc/52/91/86/558529186.db2.gz NJADDKJSJGAQAT-UHFFFAOYSA-N 0 1 405.188 5.522 40 0 HKABMN COc1ccc2[nH]c(=O)c(CNc3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2c1 ZINC000013561302 560815734 /nfs/dbraw/zinc/81/57/34/560815734.db2.gz AGJMRIKEGCYFHS-UHFFFAOYSA-N 0 1 410.477 5.001 40 0 HKABMN COc1ccc(CN(Cc2ccncc2)Cc2ccnc3ccc(Cl)cc23)cc1 ZINC000013570258 560814349 /nfs/dbraw/zinc/81/43/49/560814349.db2.gz JKVUALKOEFCNAL-UHFFFAOYSA-N 0 1 403.913 5.494 40 0 HKABMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013595810 558547164 /nfs/dbraw/zinc/54/71/64/558547164.db2.gz XUNYDWQSOMVUBZ-UHFFFAOYSA-N 0 1 420.243 5.619 40 0 HKABMN O=S(=O)(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013673897 558563680 /nfs/dbraw/zinc/56/36/80/558563680.db2.gz ZHGVODAMISMZHU-UHFFFAOYSA-N 0 1 424.374 6.087 40 0 HKABMN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000013676796 558564691 /nfs/dbraw/zinc/56/46/91/558564691.db2.gz PYCACWUDNKXUNG-UHFFFAOYSA-N 0 1 418.651 5.608 40 0 HKABMN Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc32)cc1Cl ZINC000013704564 569399647 /nfs/dbraw/zinc/39/96/47/569399647.db2.gz UWJVRSIGHHSDSJ-UHFFFAOYSA-N 0 1 411.336 7.209 40 0 in-vitro HKABMN Brc1ccc(-c2ccc(CNCc3ccccc3)o2)c(Br)c1 ZINC000013730602 560827610 /nfs/dbraw/zinc/82/76/10/560827610.db2.gz VSEQUJNMLVKWQQ-UHFFFAOYSA-N 0 1 421.132 5.761 40 0 HKABMN C[P@](=O)(O[C@H](c1ccccc1)C(F)(F)F)O[C@@H](c1ccccc1)C(F)(F)F ZINC000013815932 558884668 /nfs/dbraw/zinc/88/46/68/558884668.db2.gz SAJRACRBCCSRNH-DCIDGTAHSA-N 0 1 412.266 6.450 40 0 HKABMN COc1ccc(-n2c(CNc3cc(C(F)(F)F)ccc3Cl)n[nH]c2=S)cc1 ZINC000013992120 560831478 /nfs/dbraw/zinc/83/14/78/560831478.db2.gz GMWOCJKJHUUJQP-UHFFFAOYSA-N 0 1 414.840 5.223 40 0 HKABMN COc1ccc(CN2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013996951 560832058 /nfs/dbraw/zinc/83/20/58/560832058.db2.gz GACVFXYUDRVNOK-RPBOFIJWSA-N 0 1 419.496 5.289 40 0 HKABMN COc1ccc(CN2CC[C@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013996954 560832071 /nfs/dbraw/zinc/83/20/71/560832071.db2.gz GACVFXYUDRVNOK-DQEYMECFSA-N 0 1 419.496 5.289 40 0 HKABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000014155683 560840196 /nfs/dbraw/zinc/84/01/96/560840196.db2.gz LBMPEOWSHMSYMP-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Br)cc1 ZINC000014223119 560840649 /nfs/dbraw/zinc/84/06/49/560840649.db2.gz ACAOOGZVYMZFHC-UHFFFAOYSA-N 0 1 420.353 5.401 40 0 HKABMN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000014255076 569259343 /nfs/dbraw/zinc/25/93/43/569259343.db2.gz JQKCEYWWPGEMGF-UHFFFAOYSA-N 0 1 405.517 5.754 40 0 HKABMN CC[C@@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2c1OC(C)(C)C=C2 ZINC000014585963 291292504 /nfs/dbraw/zinc/29/25/04/291292504.db2.gz YJSXHUXXMDAOCE-CQSZACIVSA-N 0 1 404.462 5.579 40 0 biogenic,in-vitro HKABMN CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2c1OC(C)(C)C=C2 ZINC000014585965 291292962 /nfs/dbraw/zinc/29/29/62/291292962.db2.gz YJSXHUXXMDAOCE-AWEZNQCLSA-N 0 1 404.462 5.579 40 0 biogenic,in-vitro HKABMN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000014608368 560847462 /nfs/dbraw/zinc/84/74/62/560847462.db2.gz PBPOBPVALWTJJP-NDEPHWFRSA-N 0 1 422.572 6.355 40 0 HKABMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000014608369 560847445 /nfs/dbraw/zinc/84/74/45/560847445.db2.gz PBPOBPVALWTJJP-MUUNZHRXSA-N 0 1 422.572 6.355 40 0 HKABMN CCOC(=O)c1oc2ccc(Cl)cc2c1CN1CCC(Cc2ccccc2)CC1 ZINC000015017504 558702745 /nfs/dbraw/zinc/70/27/45/558702745.db2.gz ZVBAGBXUEWBDBR-UHFFFAOYSA-N 0 1 411.929 5.718 40 0 HKABMN O=c1nc(Oc2cccc(C(F)(F)F)c2)cc(Oc2cccc(C(F)(F)F)c2)[nH]1 ZINC000015922347 569022262 /nfs/dbraw/zinc/02/22/62/569022262.db2.gz YMWAEUVISMTDQH-UHFFFAOYSA-N 0 1 416.277 5.804 40 0 HKABMN COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195497 558778121 /nfs/dbraw/zinc/77/81/21/558778121.db2.gz RUIVDWXRGFMVGJ-UHFFFAOYSA-N 0 1 420.311 6.010 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016195563 558778078 /nfs/dbraw/zinc/77/80/78/558778078.db2.gz CUFQOKSPKCLTAU-UHFFFAOYSA-N 0 1 420.311 6.010 40 0 HKABMN COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195827 558778172 /nfs/dbraw/zinc/77/81/72/558778172.db2.gz DMAOUSSJJPWLSF-UHFFFAOYSA-N 0 1 420.311 6.010 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F ZINC000016195892 558778059 /nfs/dbraw/zinc/77/80/59/558778059.db2.gz MYGORZXDRFKYHA-UHFFFAOYSA-N 0 1 420.311 6.010 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1c(F)cccc1Cl ZINC000016196293 558778154 /nfs/dbraw/zinc/77/81/54/558778154.db2.gz KQIPEHVFWJXUGW-UHFFFAOYSA-N 0 1 420.311 6.010 40 0 HKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(F)cc1Cl ZINC000016214757 558778845 /nfs/dbraw/zinc/77/88/45/558778845.db2.gz POSFCIVQQDLPEX-UHFFFAOYSA-N 0 1 420.311 6.010 40 0 HKABMN COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228255 558780142 /nfs/dbraw/zinc/78/01/42/558780142.db2.gz KWNAMGVJWWDTSJ-UHFFFAOYSA-N 0 1 420.311 6.010 40 0 HKABMN Cc1nc2ccccc2nc1CN(Cc1nc2ccccc2nc1C)C1CCCCC1 ZINC000016265156 558781962 /nfs/dbraw/zinc/78/19/62/558781962.db2.gz MSXJHFOMVOHQKL-UHFFFAOYSA-N 0 1 411.553 5.525 40 0 HKABMN Cc1ccc(C(=O)C[C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016291808 558783922 /nfs/dbraw/zinc/78/39/22/558783922.db2.gz SOAAJHLWIRIHKD-RUZDIDTESA-N 0 1 402.513 5.270 40 0 HKABMN Cc1ccc(C(=O)C[C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016291810 558783941 /nfs/dbraw/zinc/78/39/41/558783941.db2.gz SOAAJHLWIRIHKD-VWLOTQADSA-N 0 1 402.513 5.270 40 0 HKABMN Cc1ccc(SCC(=O)c2cc(Br)cc(Br)c2O)cc1 ZINC000016310947 558785351 /nfs/dbraw/zinc/78/53/51/558785351.db2.gz ZNPIJNWOPRTSIE-UHFFFAOYSA-N 0 1 416.134 5.201 40 0 HKABMN O=C(Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1)c1cccc(Cl)c1Cl ZINC000016383862 558789031 /nfs/dbraw/zinc/78/90/31/558789031.db2.gz GYVOUMBALSYUGK-UHFFFAOYSA-N 0 1 416.695 6.442 40 0 HKABMN Fc1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401606 558790195 /nfs/dbraw/zinc/79/01/95/558790195.db2.gz JEMGEKUWIODEJI-UHFFFAOYSA-N 0 1 418.281 5.596 40 0 HKABMN Fc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016401617 558790068 /nfs/dbraw/zinc/79/00/68/558790068.db2.gz QBGPYWNDJYENGI-UHFFFAOYSA-N 0 1 424.730 6.655 40 0 HKABMN Clc1ccc(COc2ccc(Br)cc2CNCc2cccs2)cc1 ZINC000016430624 558791202 /nfs/dbraw/zinc/79/12/02/558791202.db2.gz VARNFXXYNXIXDX-UHFFFAOYSA-N 0 1 422.775 6.033 40 0 HKABMN Fc1ccc(COc2ccc(Br)cc2CNCc2cccs2)cc1 ZINC000016430630 558791144 /nfs/dbraw/zinc/79/11/44/558791144.db2.gz SIOPKQKVLKJBTL-UHFFFAOYSA-N 0 1 406.320 5.519 40 0 HKABMN Clc1ccc(COc2ccc(Cl)cc2CNCc2cccs2)c(Cl)c1 ZINC000016430637 558791213 /nfs/dbraw/zinc/79/12/13/558791213.db2.gz GKUGOQOOBRKIKF-UHFFFAOYSA-N 0 1 412.769 6.577 40 0 HKABMN N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000016440467 569345147 /nfs/dbraw/zinc/34/51/47/569345147.db2.gz SYLZOUDOWIUZFF-UXBLZVDNSA-N 0 1 412.070 5.007 40 0 HKABMN Clc1ccc(COc2ccc(CNCc3ccccc3Cl)cc2)c(Cl)c1 ZINC000016449743 558792269 /nfs/dbraw/zinc/79/22/69/558792269.db2.gz RVJTXEJVJMVEMH-UHFFFAOYSA-N 0 1 406.740 6.516 40 0 HKABMN Clc1ccc(COc2cccc(CNCc3ccccc3Cl)c2)c(Cl)c1 ZINC000016449764 558792293 /nfs/dbraw/zinc/79/22/93/558792293.db2.gz JOWSLDRPMRWUHX-UHFFFAOYSA-N 0 1 406.740 6.516 40 0 HKABMN Fc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016450012 558792129 /nfs/dbraw/zinc/79/21/29/558792129.db2.gz GSEMSHLMVPYTLA-UHFFFAOYSA-N 0 1 418.281 5.596 40 0 HKABMN Clc1ccccc1COc1ccc(Br)cc1CNCc1cccs1 ZINC000016450025 558792189 /nfs/dbraw/zinc/79/21/89/558792189.db2.gz UGQYLUSLSCTUHV-UHFFFAOYSA-N 0 1 422.775 6.033 40 0 HKABMN Fc1ccccc1COc1ccc(Br)cc1CNCc1cccs1 ZINC000016450027 558792152 /nfs/dbraw/zinc/79/21/52/558792152.db2.gz FFAWTRVKRSLLIF-UHFFFAOYSA-N 0 1 406.320 5.519 40 0 HKABMN O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016477284 558793617 /nfs/dbraw/zinc/79/36/17/558793617.db2.gz QAIPVUZXIABLIJ-XMMPIXPASA-N 0 1 404.941 5.476 40 0 HKABMN O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016477287 558793580 /nfs/dbraw/zinc/79/35/80/558793580.db2.gz QAIPVUZXIABLIJ-DEOSSOPVSA-N 0 1 404.941 5.476 40 0 HKABMN Clc1ccc(COc2ccc(Br)cc2CNCc2ccccc2)cc1 ZINC000016480099 558794137 /nfs/dbraw/zinc/79/41/37/558794137.db2.gz QIUKIALUQRUTQQ-UHFFFAOYSA-N 0 1 416.746 5.971 40 0 HKABMN Fc1ccc(COc2ccc(Br)cc2CNCc2ccccc2)cc1 ZINC000016480102 558794100 /nfs/dbraw/zinc/79/41/00/558794100.db2.gz QIINBRGMJRYMNZ-UHFFFAOYSA-N 0 1 400.291 5.457 40 0 HKABMN Clc1ccccc1COc1ccc(Br)cc1CNCc1ccccc1 ZINC000016480111 558794049 /nfs/dbraw/zinc/79/40/49/558794049.db2.gz GAKXPDYFAPPMCI-UHFFFAOYSA-N 0 1 416.746 5.971 40 0 HKABMN Fc1ccccc1COc1ccc(Br)cc1CNCc1ccccc1 ZINC000016480114 558794094 /nfs/dbraw/zinc/79/40/94/558794094.db2.gz CCQZZXFPAXBHIJ-UHFFFAOYSA-N 0 1 400.291 5.457 40 0 HKABMN Fc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016480561 558794105 /nfs/dbraw/zinc/79/41/05/558794105.db2.gz QAEJLXIARMWABB-UHFFFAOYSA-N 0 1 400.291 5.457 40 0 HKABMN Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2Cl)cc1 ZINC000016525993 558795485 /nfs/dbraw/zinc/79/54/85/558795485.db2.gz GRMXFCZXIZHMER-UHFFFAOYSA-N 0 1 422.355 7.015 40 0 HKABMN Fc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2Cl)cc1 ZINC000016525995 558795524 /nfs/dbraw/zinc/79/55/24/558795524.db2.gz MWFBRYZIUJIHIS-UHFFFAOYSA-N 0 1 405.900 6.501 40 0 HKABMN Clc1ccccc1CNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000016525999 558795500 /nfs/dbraw/zinc/79/55/00/558795500.db2.gz SNCLDRQRJANFFE-UHFFFAOYSA-N 0 1 422.355 7.015 40 0 HKABMN Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccccc1Cl ZINC000016526001 558795413 /nfs/dbraw/zinc/79/54/13/558795413.db2.gz FPMNPPJENJCYTL-UHFFFAOYSA-N 0 1 405.900 6.501 40 0 HKABMN Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)c(Cl)c1 ZINC000016526003 558795398 /nfs/dbraw/zinc/79/53/98/558795398.db2.gz AIEVTQMGRFANBX-UHFFFAOYSA-N 0 1 423.343 6.410 40 0 HKABMN Clc1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)c(Cl)c1 ZINC000016526015 558795477 /nfs/dbraw/zinc/79/54/77/558795477.db2.gz ZERJEDRHXDPVRQ-UHFFFAOYSA-N 0 1 423.343 6.410 40 0 HKABMN CCOc1c(Br)cc(Br)cc1CNCc1ccc(F)cc1 ZINC000016688080 560861156 /nfs/dbraw/zinc/86/11/56/560861156.db2.gz SGWNVJBWKXWCPD-UHFFFAOYSA-N 0 1 417.116 5.039 40 0 HKABMN Cc1ccc(C(=O)Nc2c(C)c(Br)c(O)c(Br)c2C)cc1 ZINC000016807770 558807787 /nfs/dbraw/zinc/80/77/87/558807787.db2.gz NGRNBUAJFGYWMM-UHFFFAOYSA-N 0 1 413.109 5.095 40 0 HKABMN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000017088199 560863176 /nfs/dbraw/zinc/86/31/76/560863176.db2.gz NAVNFFBVJVUDNL-VMPITWQZSA-N 0 1 409.338 5.349 40 0 HKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1Cl ZINC000017088388 560863385 /nfs/dbraw/zinc/86/33/85/560863385.db2.gz DPXHSFNIHBHREP-UHFFFAOYSA-N 0 1 410.109 5.133 40 0 HKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)c(Cl)c1 ZINC000017088389 560863400 /nfs/dbraw/zinc/86/34/00/560863400.db2.gz OMNQVZQOQKYCGU-UHFFFAOYSA-N 0 1 410.109 5.133 40 0 HKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cc(Cl)ccc1Cl ZINC000017088391 560863389 /nfs/dbraw/zinc/86/33/89/560863389.db2.gz BYKZKVLODYBHQV-UHFFFAOYSA-N 0 1 410.109 5.133 40 0 HKABMN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000017089484 560864376 /nfs/dbraw/zinc/86/43/76/560864376.db2.gz AELWXYXCBBPHOY-UHFFFAOYSA-N 0 1 413.326 5.005 40 0 HKABMN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000017089486 560864373 /nfs/dbraw/zinc/86/43/73/560864373.db2.gz JZZMGUUXRZMUTA-UHFFFAOYSA-N 0 1 413.326 5.005 40 0 HKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccccc2)cc1 ZINC000017090973 560865662 /nfs/dbraw/zinc/86/56/62/560865662.db2.gz WIALFMBSUQBNJO-UHFFFAOYSA-N 0 1 417.317 5.493 40 0 HKABMN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)on2)cc1 ZINC000019023015 558838141 /nfs/dbraw/zinc/83/81/41/558838141.db2.gz WHHBJKIMDJSRCF-QHCPKHFHSA-N 0 1 424.497 5.124 40 0 HKABMN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)on2)cc1 ZINC000019023018 558838190 /nfs/dbraw/zinc/83/81/90/558838190.db2.gz WHHBJKIMDJSRCF-HSZRJFAPSA-N 0 1 424.497 5.124 40 0 HKABMN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccc(F)cc2)Cc2cccc(Cl)c2)on1 ZINC000019120621 558843105 /nfs/dbraw/zinc/84/31/05/558843105.db2.gz WHEXPWXIUYGSDW-AUSIDOKSSA-N 0 1 414.908 5.035 40 0 HKABMN OC(=C1NN1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000019167145 558847194 /nfs/dbraw/zinc/84/71/94/558847194.db2.gz IYJZCORUGCQXIG-UHFFFAOYSA-N 0 1 413.091 5.132 40 0 HKABMN Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(Oc3ncccn3)cc2)nc1 ZINC000019215492 558850021 /nfs/dbraw/zinc/85/00/21/558850021.db2.gz MBKVNMILMTXAIX-JOCHJYFZSA-N 0 1 402.523 5.107 40 0 HKABMN Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(Oc3ncccn3)cc2)nc1 ZINC000019215494 558850097 /nfs/dbraw/zinc/85/00/97/558850097.db2.gz MBKVNMILMTXAIX-QFIPXVFZSA-N 0 1 402.523 5.107 40 0 HKABMN Cc1ccc([C@@H](Cc2ccsc2)NCc2cccc(OCc3ccccn3)c2)nc1 ZINC000019215541 558850093 /nfs/dbraw/zinc/85/00/93/558850093.db2.gz FGGOQWGIFPXPNA-RUZDIDTESA-N 0 1 415.562 5.499 40 0 HKABMN Cc1ccc([C@H](Cc2ccsc2)NCc2cccc(OCc3ccccn3)c2)nc1 ZINC000019215543 558850062 /nfs/dbraw/zinc/85/00/62/558850062.db2.gz FGGOQWGIFPXPNA-VWLOTQADSA-N 0 1 415.562 5.499 40 0 HKABMN Cc1cc(C)n(-c2cccc(CN[C@H](Cc3ccsc3)c3ccc(C)cn3)c2)n1 ZINC000019215550 558850025 /nfs/dbraw/zinc/85/00/25/558850025.db2.gz WIJIPRXYWORQKP-XMMPIXPASA-N 0 1 402.567 5.328 40 0 HKABMN Cc1cc(C)n(-c2cccc(CN[C@@H](Cc3ccsc3)c3ccc(C)cn3)c2)n1 ZINC000019215552 558850116 /nfs/dbraw/zinc/85/01/16/558850116.db2.gz WIJIPRXYWORQKP-DEOSSOPVSA-N 0 1 402.567 5.328 40 0 HKABMN COc1cc2c(cc1OC)[C@@H](C[C@@H](C)c1ccccc1)N[C@@H](c1ccc(C)cn1)C2 ZINC000019216059 558850124 /nfs/dbraw/zinc/85/01/24/558850124.db2.gz DRJCWFUJRNXAQN-DQMJNTIXSA-N 0 1 402.538 5.529 40 0 HKABMN COc1cc2c(cc1OC)[C@@H](C[C@H](C)c1ccccc1)N[C@@H](c1ccc(C)cn1)C2 ZINC000019216061 558850065 /nfs/dbraw/zinc/85/00/65/558850065.db2.gz DRJCWFUJRNXAQN-NTUVXCKYSA-N 0 1 402.538 5.529 40 0 HKABMN COc1cccc2ccc(CN3CCC(c4nnc(-c5ccc(C)s5)o4)CC3)nc21 ZINC000019217845 558850766 /nfs/dbraw/zinc/85/07/66/558850766.db2.gz ADBNMDWRRSNKGD-UHFFFAOYSA-N 0 1 420.538 5.043 40 0 HKABMN Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc(CN3CCC(C)CC3)o2)n1 ZINC000019236116 558855197 /nfs/dbraw/zinc/85/51/97/558855197.db2.gz HWDMKJNOQGVNRS-UHFFFAOYSA-N 0 1 417.553 5.058 40 0 HKABMN CN1CCN(CCS[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019365317 558876816 /nfs/dbraw/zinc/87/68/16/558876816.db2.gz JZTQXLGXJLBLFI-NRFANRHFSA-N 0 1 405.032 5.069 40 0 HKABMN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3F)CC[C@@H]21 ZINC000019369014 558877677 /nfs/dbraw/zinc/87/76/77/558877677.db2.gz KLRLOCLRUIAYJP-FIXSFTCYSA-N 0 1 420.553 5.018 40 0 HKABMN c1ccc2c(c1)ccnc2-c1nnc([C@@H]2CCCN2Cc2ccnc3ccccc23)o1 ZINC000019376491 558882513 /nfs/dbraw/zinc/88/25/13/558882513.db2.gz DCQPLEQMEXRANA-QFIPXVFZSA-N 0 1 407.477 5.170 40 0 HKABMN c1ccc2c(c1)ccnc2-c1nnc([C@H]2CCCN2Cc2ccnc3ccccc23)o1 ZINC000019376492 558882500 /nfs/dbraw/zinc/88/25/00/558882500.db2.gz DCQPLEQMEXRANA-JOCHJYFZSA-N 0 1 407.477 5.170 40 0 HKABMN CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3cc(F)cc(F)c3)CC2)n1 ZINC000019450315 558888871 /nfs/dbraw/zinc/88/88/71/558888871.db2.gz LGUXRTCQNHDEIQ-UHFFFAOYSA-N 0 1 423.511 5.017 40 0 HKABMN CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)c(F)c3)CC2)n1 ZINC000019450323 558888866 /nfs/dbraw/zinc/88/88/66/558888866.db2.gz BERFZHGJTCROJU-UHFFFAOYSA-N 0 1 423.511 5.017 40 0 HKABMN CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)cc3F)CC2)n1 ZINC000019450332 558888831 /nfs/dbraw/zinc/88/88/31/558888831.db2.gz MSRIIFKUTFEGMV-UHFFFAOYSA-N 0 1 423.511 5.017 40 0 HKABMN CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2cccs2)CC1 ZINC000019530205 558911453 /nfs/dbraw/zinc/91/14/53/558911453.db2.gz MTQMILRDUSSZTP-UHFFFAOYSA-N 0 1 424.566 5.100 40 0 HKABMN CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2ccsc2)CC1 ZINC000019530213 558911506 /nfs/dbraw/zinc/91/15/06/558911506.db2.gz LOHKXIMKOJKAAS-UHFFFAOYSA-N 0 1 424.566 5.100 40 0 HKABMN COc1ccc(CN(Cc2ccccc2OC)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554765 558917701 /nfs/dbraw/zinc/91/77/01/558917701.db2.gz GHSQOSFQMQGXBN-LOSJGSFVSA-N 0 1 421.512 5.028 40 0 HKABMN Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557923 558919774 /nfs/dbraw/zinc/91/97/74/558919774.db2.gz KZHFELJSGTUJGU-SFHVURJKSA-N 0 1 405.329 5.716 40 0 HKABMN Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557926 558919804 /nfs/dbraw/zinc/91/98/04/558919804.db2.gz KZHFELJSGTUJGU-GOSISDBHSA-N 0 1 405.329 5.716 40 0 HKABMN Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2cccc(Cl)c2Cl)c1C ZINC000019557982 558919765 /nfs/dbraw/zinc/91/97/65/558919765.db2.gz CNBNCZIRQWHLTC-KRWDZBQOSA-N 0 1 405.329 5.716 40 0 HKABMN Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2cccc(Cl)c2Cl)c1C ZINC000019557985 558919745 /nfs/dbraw/zinc/91/97/45/558919745.db2.gz CNBNCZIRQWHLTC-QGZVFWFLSA-N 0 1 405.329 5.716 40 0 HKABMN Cc1ncsc1-c1nnc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000019562752 558923287 /nfs/dbraw/zinc/92/32/87/558923287.db2.gz ZGAVAUMTAYCMGW-CYBMUJFWSA-N 0 1 409.342 5.188 40 0 HKABMN Cc1ncsc1-c1nnc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000019562755 558923389 /nfs/dbraw/zinc/92/33/89/558923389.db2.gz ZGAVAUMTAYCMGW-ZDUSSCGKSA-N 0 1 409.342 5.188 40 0 HKABMN COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)nc2)c1 ZINC000019688532 558957977 /nfs/dbraw/zinc/95/79/77/558957977.db2.gz XDFCVRFQUAKTOQ-SANMLTNESA-N 0 1 418.585 5.412 40 0 HKABMN COc1cccc(Cc2ccc([C@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)nc2)c1 ZINC000019688534 558957891 /nfs/dbraw/zinc/95/78/91/558957891.db2.gz XDFCVRFQUAKTOQ-AREMUKBSSA-N 0 1 418.585 5.412 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688536 558957958 /nfs/dbraw/zinc/95/79/58/558957958.db2.gz YMOPDNMPOPXVMT-RUZDIDTESA-N 0 1 406.549 5.543 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688538 558958068 /nfs/dbraw/zinc/95/80/68/558958068.db2.gz YMOPDNMPOPXVMT-VWLOTQADSA-N 0 1 406.549 5.543 40 0 HKABMN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1 ZINC000019691150 569345936 /nfs/dbraw/zinc/34/59/36/569345936.db2.gz OVGUXBSEFQFIFQ-UHFFFAOYSA-N 0 1 406.505 5.062 40 0 HKABMN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 ZINC000019691237 569345915 /nfs/dbraw/zinc/34/59/15/569345915.db2.gz FLZUVNNPRQOCCZ-QFIPXVFZSA-N 0 1 418.447 5.189 40 0 HKABMN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 ZINC000019691238 569345901 /nfs/dbraw/zinc/34/59/01/569345901.db2.gz FLZUVNNPRQOCCZ-JOCHJYFZSA-N 0 1 418.447 5.189 40 0 HKABMN Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000019691410 569345973 /nfs/dbraw/zinc/34/59/73/569345973.db2.gz QCTODLFBZMZTDV-UHFFFAOYSA-N 0 1 414.484 5.092 40 0 HKABMN CCOc1ccc(CN2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO ZINC000019691909 558961367 /nfs/dbraw/zinc/96/13/67/558961367.db2.gz CMLGGXXZOPGTNM-AREMUKBSSA-N 0 1 416.565 5.209 40 0 HKABMN CCOc1ccc(CN2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO ZINC000019691910 558961505 /nfs/dbraw/zinc/96/15/05/558961505.db2.gz CMLGGXXZOPGTNM-SANMLTNESA-N 0 1 416.565 5.209 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019691915 558961454 /nfs/dbraw/zinc/96/14/54/558961454.db2.gz ZPIAYXTYJZOSPK-AREMUKBSSA-N 0 1 420.576 5.851 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019691916 558961443 /nfs/dbraw/zinc/96/14/43/558961443.db2.gz ZPIAYXTYJZOSPK-SANMLTNESA-N 0 1 420.576 5.851 40 0 HKABMN CCn1ncc(CN2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C ZINC000019691999 558961395 /nfs/dbraw/zinc/96/13/95/558961395.db2.gz JKVRKDHLISRZPL-XMMPIXPASA-N 0 1 408.977 5.496 40 0 HKABMN CCn1ncc(CN2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C ZINC000019692000 558961404 /nfs/dbraw/zinc/96/14/04/558961404.db2.gz JKVRKDHLISRZPL-DEOSSOPVSA-N 0 1 408.977 5.496 40 0 HKABMN CCn1ncc(CN2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C ZINC000019692001 558961376 /nfs/dbraw/zinc/96/13/76/558961376.db2.gz AFGFPPNKPAFWOH-XMMPIXPASA-N 0 1 408.977 5.496 40 0 HKABMN CCn1ncc(CN2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C ZINC000019692002 558961448 /nfs/dbraw/zinc/96/14/48/558961448.db2.gz AFGFPPNKPAFWOH-DEOSSOPVSA-N 0 1 408.977 5.496 40 0 HKABMN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2cnn(C)c2)n1 ZINC000019692009 558961749 /nfs/dbraw/zinc/96/17/49/558961749.db2.gz MPNYARDUCBMPET-QFIPXVFZSA-N 0 1 414.475 5.070 40 0 HKABMN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 ZINC000019692010 558961677 /nfs/dbraw/zinc/96/16/77/558961677.db2.gz MPNYARDUCBMPET-JOCHJYFZSA-N 0 1 414.475 5.070 40 0 HKABMN Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C4CCCCC4)nc32)cc1 ZINC000019695869 558964292 /nfs/dbraw/zinc/96/42/92/558964292.db2.gz ODJYZSHJQMERAZ-QHCPKHFHSA-N 0 1 418.585 5.042 40 0 HKABMN Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C4CCCCC4)nc32)cc1 ZINC000019695870 558964306 /nfs/dbraw/zinc/96/43/06/558964306.db2.gz ODJYZSHJQMERAZ-HSZRJFAPSA-N 0 1 418.585 5.042 40 0 HKABMN Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)[nH]n1 ZINC000019703634 558967716 /nfs/dbraw/zinc/96/77/16/558967716.db2.gz ILAFSLUGIVIDJC-DEOSSOPVSA-N 0 1 416.500 5.056 40 0 HKABMN Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccc3ncccc3c2)[nH]n1 ZINC000019703635 558967757 /nfs/dbraw/zinc/96/77/57/558967757.db2.gz ILAFSLUGIVIDJC-XMMPIXPASA-N 0 1 416.500 5.056 40 0 HKABMN CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704367 569347635 /nfs/dbraw/zinc/34/76/35/569347635.db2.gz FCIHQNIXGYMWGB-OAQYLSRUSA-N 0 1 419.573 5.015 40 0 HKABMN CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704368 569347661 /nfs/dbraw/zinc/34/76/61/569347661.db2.gz FCIHQNIXGYMWGB-NRFANRHFSA-N 0 1 419.573 5.015 40 0 HKABMN CCN(Cc1nccn1CC)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 ZINC000019711924 569428903 /nfs/dbraw/zinc/42/89/03/569428903.db2.gz ABRFQFLTJNUMPF-SQJMNOBHSA-N 0 1 419.569 5.321 40 0 HKABMN CCN(Cc1nccn1CC)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711999 569428923 /nfs/dbraw/zinc/42/89/23/569428923.db2.gz FETHPHHCJMIWGT-UKILVPOCSA-N 0 1 419.569 5.321 40 0 HKABMN CCCn1nc(C)c(-c2cc(C(=O)Nc3cc4cc(C)oc4c(Cl)c3)[nH]n2)c1C ZINC000019719312 558257968 /nfs/dbraw/zinc/25/79/68/558257968.db2.gz ARDINCRNTUKDLK-UHFFFAOYSA-N 0 1 411.893 5.260 40 0 HKABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)CC3CCCC3)cc(C(F)(F)F)c21 ZINC000019742402 558262758 /nfs/dbraw/zinc/26/27/58/558262758.db2.gz WGDOISZFOMJBOJ-INIZCTEOSA-N 0 1 423.483 5.041 40 0 HKABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)CC3CCCC3)cc(C(F)(F)F)c21 ZINC000019742404 558262645 /nfs/dbraw/zinc/26/26/45/558262645.db2.gz WGDOISZFOMJBOJ-MRXNPFEDSA-N 0 1 423.483 5.041 40 0 HKABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c21 ZINC000019742535 558263107 /nfs/dbraw/zinc/26/31/07/558263107.db2.gz KRXIHNHGRWQJBI-INIZCTEOSA-N 0 1 423.483 5.041 40 0 HKABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c21 ZINC000019742537 558262948 /nfs/dbraw/zinc/26/29/48/558262948.db2.gz KRXIHNHGRWQJBI-MRXNPFEDSA-N 0 1 423.483 5.041 40 0 HKABMN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2CC2CCCCC2)nc1C ZINC000019755612 558274177 /nfs/dbraw/zinc/27/41/77/558274177.db2.gz CZEZOZUHSHKRJK-QFIPXVFZSA-N 0 1 422.573 5.153 40 0 HKABMN COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2CC2CCCCC2)nc1C ZINC000019755614 558274130 /nfs/dbraw/zinc/27/41/30/558274130.db2.gz CZEZOZUHSHKRJK-JOCHJYFZSA-N 0 1 422.573 5.153 40 0 HKABMN Cc1cccc(-c2n[nH]c(SCC(=O)N(c3ccccc3)c3ccccc3)n2)c1 ZINC000019927546 558308420 /nfs/dbraw/zinc/30/84/20/558308420.db2.gz CLLVJISSLPVRMU-UHFFFAOYSA-N 0 1 400.507 5.237 40 0 HKABMN Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)n2)c1 ZINC000019927569 558308306 /nfs/dbraw/zinc/30/83/06/558308306.db2.gz AAMAFDMJEFXGCK-UHFFFAOYSA-N 0 1 405.527 5.420 40 0 HKABMN Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)n2)c1 ZINC000019927586 558308352 /nfs/dbraw/zinc/30/83/52/558308352.db2.gz WJHFFHZCRVVIRM-UHFFFAOYSA-N 0 1 418.309 5.429 40 0 HKABMN Clc1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(Cl)c1 ZINC000019927797 558308316 /nfs/dbraw/zinc/30/83/16/558308316.db2.gz DREKUKDRCXFEED-UHFFFAOYSA-N 0 1 415.143 5.833 40 0 HKABMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)N(c1ccccc1)c1ccccc1 ZINC000019928198 558308660 /nfs/dbraw/zinc/30/86/60/558308660.db2.gz SLVWSPHVKGQLDS-UHFFFAOYSA-N 0 1 420.925 5.582 40 0 HKABMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000019928200 558308556 /nfs/dbraw/zinc/30/85/56/558308556.db2.gz KPEWZVCSQBXMFQ-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN Clc1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)cc1 ZINC000019928214 558308522 /nfs/dbraw/zinc/30/85/22/558308522.db2.gz RKFUXACNOPUKTR-UHFFFAOYSA-N 0 1 404.282 5.121 40 0 HKABMN Clc1ccccc1-c1n[nH]c(SCc2nnc(-c3ccccc3Cl)o2)n1 ZINC000019928243 526986116 /nfs/dbraw/zinc/98/61/16/526986116.db2.gz ZACVKTSQXYEJDE-UHFFFAOYSA-N 0 1 404.282 5.121 40 0 HKABMN Clc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 ZINC000019928770 558308828 /nfs/dbraw/zinc/30/88/28/558308828.db2.gz INBNXYPUORTPAX-UHFFFAOYSA-N 0 1 404.282 5.121 40 0 HKABMN Clc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4Cl)o3)n2)cc1 ZINC000019928806 558308844 /nfs/dbraw/zinc/30/88/44/558308844.db2.gz IVNPWKCYJXMNDB-UHFFFAOYSA-N 0 1 404.282 5.121 40 0 HKABMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(Br)c2)n1 ZINC000019929212 558309372 /nfs/dbraw/zinc/30/93/72/558309372.db2.gz KVOUQIHICZICJO-UHFFFAOYSA-N 0 1 410.724 5.189 40 0 HKABMN Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020192169 558756193 /nfs/dbraw/zinc/75/61/93/558756193.db2.gz BKGZPUFUYVJRCO-DEOSSOPVSA-N 0 1 405.542 5.589 40 0 HKABMN Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020192173 558756286 /nfs/dbraw/zinc/75/62/86/558756286.db2.gz BKGZPUFUYVJRCO-XMMPIXPASA-N 0 1 405.542 5.589 40 0 HKABMN Clc1ccc(-c2n[nH]c(SCc3ccc(Cl)c(Cl)c3)n2)c(Cl)c1 ZINC000020195558 558345098 /nfs/dbraw/zinc/34/50/98/558345098.db2.gz QZMGOZNSQMFJIA-UHFFFAOYSA-N 0 1 405.137 6.378 40 0 HKABMN Clc1ccc(-c2n[nH]c(SCc3ccc(Br)cc3)n2)c(Cl)c1 ZINC000020195560 558345101 /nfs/dbraw/zinc/34/51/01/558345101.db2.gz MAJOZLKMJNQUCE-UHFFFAOYSA-N 0 1 415.143 5.833 40 0 HKABMN Clc1ccc(-c2n[nH]c(SCc3c(Cl)cccc3Cl)n2)c(Cl)c1 ZINC000020195597 558345024 /nfs/dbraw/zinc/34/50/24/558345024.db2.gz GBTAETFBAVHLQI-UHFFFAOYSA-N 0 1 405.137 6.378 40 0 HKABMN CC(C)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000020241741 569349569 /nfs/dbraw/zinc/34/95/69/569349569.db2.gz MUFBQRATIGEXFQ-UHFFFAOYSA-N 0 1 413.565 5.385 40 0 HKABMN O=C(Nc1cccc2ccccc21)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000020241748 569349603 /nfs/dbraw/zinc/34/96/03/569349603.db2.gz JPDCXAWPWIAFOV-UHFFFAOYSA-N 0 1 421.544 5.414 40 0 HKABMN O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000020241750 569349628 /nfs/dbraw/zinc/34/96/28/569349628.db2.gz XVZBPUVIFOQTPZ-UHFFFAOYSA-N 0 1 421.544 5.414 40 0 HKABMN Cc1nnc(SCc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)[nH]1 ZINC000020293598 558354196 /nfs/dbraw/zinc/35/41/96/558354196.db2.gz CHGMPOIDAVDIDZ-UHFFFAOYSA-N 0 1 414.943 5.526 40 0 HKABMN Cc1n[nH]c(SCc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 ZINC000020293598 558354197 /nfs/dbraw/zinc/35/41/97/558354197.db2.gz CHGMPOIDAVDIDZ-UHFFFAOYSA-N 0 1 414.943 5.526 40 0 HKABMN Cc1nnc(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)[nH]1 ZINC000020293629 558354232 /nfs/dbraw/zinc/35/42/32/558354232.db2.gz DNQMNSBZSMDHHP-UHFFFAOYSA-N 0 1 424.913 5.571 40 0 HKABMN Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)n1 ZINC000020293629 558354235 /nfs/dbraw/zinc/35/42/35/558354235.db2.gz DNQMNSBZSMDHHP-UHFFFAOYSA-N 0 1 424.913 5.571 40 0 HKABMN c1cc(Cc2ccc3[nH]c(C4CCCCC4)nc3c2)cc2[nH]c(C3CCCCC3)nc12 ZINC000020493998 558379452 /nfs/dbraw/zinc/37/94/52/558379452.db2.gz OZSGYVYRWSMLAJ-UHFFFAOYSA-N 0 1 412.581 7.125 40 0 HKABMN c1cc(Cc2ccc3nc(C4CCCCC4)[nH]c3c2)cc2[nH]c(C3CCCCC3)nc12 ZINC000020493998 558379453 /nfs/dbraw/zinc/37/94/53/558379453.db2.gz OZSGYVYRWSMLAJ-UHFFFAOYSA-N 0 1 412.581 7.125 40 0 HKABMN O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000020569558 568457187 /nfs/dbraw/zinc/45/71/87/568457187.db2.gz XVSRRHOOLDXTKR-UHFFFAOYSA-N 0 1 421.305 5.047 40 0 HKABMN CCc1nnc(SCc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)[nH]1 ZINC000020611445 558391541 /nfs/dbraw/zinc/39/15/41/558391541.db2.gz LCMPYIKHKSLXAV-UHFFFAOYSA-N 0 1 418.975 5.044 40 0 HKABMN CCc1n[nH]c(SCc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)n1 ZINC000020611445 558391545 /nfs/dbraw/zinc/39/15/45/558391545.db2.gz LCMPYIKHKSLXAV-UHFFFAOYSA-N 0 1 418.975 5.044 40 0 HKABMN O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc2ccccc21 ZINC000020765246 568458814 /nfs/dbraw/zinc/45/88/14/568458814.db2.gz MPANVCNIDUCZLO-UHFFFAOYSA-N 0 1 412.312 5.209 40 0 HKABMN Cc1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1Cl ZINC000020765335 568458869 /nfs/dbraw/zinc/45/88/69/568458869.db2.gz SOIWWWBAQHXYTL-UHFFFAOYSA-N 0 1 410.724 5.018 40 0 HKABMN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(Br)cc2[nH]1 ZINC000020765342 568458877 /nfs/dbraw/zinc/45/88/77/568458877.db2.gz PBWBCYRDPFNAEP-UHFFFAOYSA-N 0 1 410.724 5.018 40 0 HKABMN Cc1cc(C)c2nc(Nc3nc(-c4cccs4)cc(C(F)(F)F)n3)nc(C)c2c1 ZINC000020798211 558414786 /nfs/dbraw/zinc/41/47/86/558414786.db2.gz GZRHZDHMWBRFKK-UHFFFAOYSA-N 0 1 415.444 5.836 40 0 HKABMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1c2ccccc2Sc2ccccc21 ZINC000020971035 568460846 /nfs/dbraw/zinc/46/08/46/568460846.db2.gz WHQLPRISCXLXRL-UHFFFAOYSA-N 0 1 416.531 5.393 40 0 HKABMN COc1c(C)cnc(CSc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1C ZINC000022051200 558459872 /nfs/dbraw/zinc/45/98/72/558459872.db2.gz MVSKSPIWDUMZMX-UHFFFAOYSA-N 0 1 405.523 5.455 40 0 in-vitro HKABMN Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2)c(Cl)c1 ZINC000022073928 558462172 /nfs/dbraw/zinc/46/21/72/558462172.db2.gz XLBULQDICCHSMQ-UHFFFAOYSA-N 0 1 406.740 6.516 40 0 HKABMN C[C@@H](NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000022074205 558462253 /nfs/dbraw/zinc/46/22/53/558462253.db2.gz MVDDTXCMPXGHAZ-OAHLLOKOSA-N 0 1 420.767 7.077 40 0 HKABMN C[C@H](NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000022074207 558462202 /nfs/dbraw/zinc/46/22/02/558462202.db2.gz MVDDTXCMPXGHAZ-HNNXBMFYSA-N 0 1 420.767 7.077 40 0 HKABMN Cc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000022076729 558462738 /nfs/dbraw/zinc/46/27/38/558462738.db2.gz BKLJAWCJKOSQRZ-UHFFFAOYSA-N 0 1 420.767 6.824 40 0 HKABMN CCCc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1 ZINC000022255124 558474258 /nfs/dbraw/zinc/47/42/58/558474258.db2.gz VVPCOLDYODIYQQ-UHFFFAOYSA-N 0 1 401.340 5.356 40 0 HKABMN CCCc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OCC)cc2s1 ZINC000022255187 558474234 /nfs/dbraw/zinc/47/42/34/558474234.db2.gz JEEYXONCXAAQRT-UHFFFAOYSA-N 0 1 410.948 5.102 40 0 HKABMN CCCc1nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3OC)cc2s1 ZINC000022255220 558474205 /nfs/dbraw/zinc/47/42/05/558474205.db2.gz DOYYCOKJCQZZPU-UHFFFAOYSA-N 0 1 404.557 5.182 40 0 HKABMN C(=C/c1ccccc1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022454226 558490247 /nfs/dbraw/zinc/49/02/47/558490247.db2.gz XFBDGHFDKJITGC-JLHYYAGUSA-N 0 1 412.577 5.124 40 0 in-vitro HKABMN CN1CCN(CCS[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022862314 558517477 /nfs/dbraw/zinc/51/74/77/558517477.db2.gz JZTQXLGXJLBLFI-OAQYLSRUSA-N 0 1 405.032 5.069 40 0 HKABMN CCCOP(=O)(OCCC)[C@@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000026779851 568831141 /nfs/dbraw/zinc/83/11/41/568831141.db2.gz FKQIKVGJIUVMRG-CYBMUJFWSA-N 0 1 416.669 5.218 40 0 HKABMN CCCOP(=O)(OCCC)[C@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000026779852 568831353 /nfs/dbraw/zinc/83/13/53/568831353.db2.gz FKQIKVGJIUVMRG-ZDUSSCGKSA-N 0 1 416.669 5.218 40 0 HKABMN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220590 558693044 /nfs/dbraw/zinc/69/30/44/558693044.db2.gz MUFBUKBKCFCXON-HXUWFJFHSA-N 0 1 420.940 5.983 40 0 HKABMN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220594 558693067 /nfs/dbraw/zinc/69/30/67/558693067.db2.gz MUFBUKBKCFCXON-FQEVSTJZSA-N 0 1 420.940 5.983 40 0 HKABMN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000028296074 558698796 /nfs/dbraw/zinc/69/87/96/558698796.db2.gz DVARHSQEVMHKGG-JOCHJYFZSA-N 0 1 423.944 5.342 40 0 HKABMN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000028296076 558699029 /nfs/dbraw/zinc/69/90/29/558699029.db2.gz DVARHSQEVMHKGG-QFIPXVFZSA-N 0 1 423.944 5.342 40 0 HKABMN [NH2+]=C1c2c(nc(-c3ccccc3)cc2-c2ccccc2)S[C@@]1(C(=O)[O-])c1ccccc1 ZINC000028615347 558702348 /nfs/dbraw/zinc/70/23/48/558702348.db2.gz SPOQLIWPWZDVMJ-SANMLTNESA-N 0 1 422.509 5.869 40 0 HKABMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000028831341 569350370 /nfs/dbraw/zinc/35/03/70/569350370.db2.gz VDLKIRFMMCJBAY-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)ccc1Cl ZINC000028831353 568639387 /nfs/dbraw/zinc/63/93/87/568639387.db2.gz IGGULRLDJBJCGG-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)cc1Cl ZINC000028831400 568639403 /nfs/dbraw/zinc/63/94/03/568639403.db2.gz JLJYHFWXCQWCJY-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cccc(Cl)c1Cl ZINC000028831402 568639380 /nfs/dbraw/zinc/63/93/80/568639380.db2.gz TXVNSUYYLJBBJW-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN Cc1c(C=C2NC(=O)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000032115631 525519817 /nfs/dbraw/zinc/51/98/17/525519817.db2.gz XJEWHRNGZGPSQV-RQZCQDPDSA-N 0 1 400.265 5.325 40 0 HKABMN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116449 526224182 /nfs/dbraw/zinc/22/41/82/526224182.db2.gz SRUWGHSUMGGDNL-UHFFFAOYSA-N 0 1 423.266 5.524 40 0 HKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccs1 ZINC000032116625 527304704 /nfs/dbraw/zinc/30/47/04/527304704.db2.gz DKZTVUKXISPNBJ-UHFFFAOYSA-N 0 1 415.268 5.277 40 0 HKABMN Cc1ccc2nc(SCc3ccc(C(=O)Nc4c(C)cccc4C)cc3)[nH]c2c1 ZINC000032117649 526102990 /nfs/dbraw/zinc/10/29/90/526102990.db2.gz YCQPIZVSKAJXAV-UHFFFAOYSA-N 0 1 401.535 6.033 40 0 HKABMN COc1ccc2nc(SCc3ccc(C(=O)Nc4c(C)cccc4C)cc3)[nH]c2c1 ZINC000032117671 525480729 /nfs/dbraw/zinc/48/07/29/525480729.db2.gz SGTSKANMENHVCZ-UHFFFAOYSA-N 0 1 417.534 5.733 40 0 HKABMN Cc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)[nH]c2c1 ZINC000032117964 526100682 /nfs/dbraw/zinc/10/06/82/526100682.db2.gz UELGIQLMMKERMD-UHFFFAOYSA-N 0 1 421.953 6.378 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3c(OC)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000033595987 569350659 /nfs/dbraw/zinc/35/06/59/569350659.db2.gz CWFLXBPBXDQZOS-ZHZULCJRSA-N 0 1 416.502 5.082 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 ZINC000033626560 569350759 /nfs/dbraw/zinc/35/07/59/569350759.db2.gz JATQKLGCYUVKNR-OQLLNIDSSA-N 0 1 405.306 5.227 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3cn(C(C)C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000033667481 569350954 /nfs/dbraw/zinc/35/09/54/569350954.db2.gz VMVQQGKXEQBAPI-DEDYPNTBSA-N 0 1 417.534 5.456 40 0 HKABMN CC[C@@H](C)Oc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000033694424 569350988 /nfs/dbraw/zinc/35/09/88/569350988.db2.gz NYKIWCYKNZXOJP-OOWUWCJESA-N 0 1 418.449 5.112 40 0 HKABMN CC[C@H](C)Oc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000033694426 568697582 /nfs/dbraw/zinc/69/75/82/568697582.db2.gz NYKIWCYKNZXOJP-NPRIEWAGSA-N 0 1 418.449 5.112 40 0 HKABMN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000033699293 569351013 /nfs/dbraw/zinc/35/10/13/569351013.db2.gz TVCMCBIMYFVTLZ-UHFFFAOYSA-N 0 1 421.305 5.047 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000033710198 569351095 /nfs/dbraw/zinc/35/10/95/569351095.db2.gz GOURFBUUKBYXBS-XMHGGMMESA-N 0 1 402.475 5.181 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)CC)cc3)C(=O)NC2=S)cc1 ZINC000033719909 569351119 /nfs/dbraw/zinc/35/11/19/569351119.db2.gz IIKNRAHYCOEQPE-AUQXIXNCSA-N 0 1 408.523 5.098 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)CC)cc3)C(=O)NC2=S)cc1 ZINC000033719911 569351160 /nfs/dbraw/zinc/35/11/60/569351160.db2.gz IIKNRAHYCOEQPE-NPQOUYBPSA-N 0 1 408.523 5.098 40 0 HKABMN CN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000033730908 569351117 /nfs/dbraw/zinc/35/11/17/569351117.db2.gz WGNHRCTVZNBJAS-ACCUITESSA-N 0 1 421.928 5.004 40 0 HKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)c1 ZINC000033731809 569351218 /nfs/dbraw/zinc/35/12/18/569351218.db2.gz XRIRODXUBUYMJS-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000033737512 569351233 /nfs/dbraw/zinc/35/12/33/569351233.db2.gz USQIABUCFGXDGN-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1 ZINC000033773862 569351347 /nfs/dbraw/zinc/35/13/47/569351347.db2.gz OCSZKSFIBPINCF-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OC)c4ccccc34)C(=O)NC2=S)cc1 ZINC000033780322 569351332 /nfs/dbraw/zinc/35/13/32/569351332.db2.gz ZCCNYDIIJUZPKZ-XSFVSMFZSA-N 0 1 416.502 5.082 40 0 HKABMN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000033803827 569351369 /nfs/dbraw/zinc/35/13/69/569351369.db2.gz KCUZOJBKAHLTFK-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN C=CCn1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c2ccccc21 ZINC000033828580 569351444 /nfs/dbraw/zinc/35/14/44/569351444.db2.gz MOEPQRALOFOIPV-XSFVSMFZSA-N 0 1 415.518 5.061 40 0 HKABMN CCc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc(C)c3)C(=O)NC2=S)cc1 ZINC000033915582 569351542 /nfs/dbraw/zinc/35/15/42/569351542.db2.gz KJIGOYDMWKVFQS-RCCKNPSSSA-N 0 1 415.518 5.020 40 0 HKABMN Cc1ccc2nc(Cc3ccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)cc3)[nH]c2c1 ZINC000035316708 557691567 /nfs/dbraw/zinc/69/15/67/557691567.db2.gz QJFOIXWYJYEPQO-MRXNPFEDSA-N 0 1 403.457 5.007 40 0 HKABMN Cc1ccc2nc(Cc3ccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)cc3)[nH]c2c1 ZINC000035316711 557691558 /nfs/dbraw/zinc/69/15/58/557691558.db2.gz QJFOIXWYJYEPQO-INIZCTEOSA-N 0 1 403.457 5.007 40 0 HKABMN COc1ccc(-c2cc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)[nH]n2)cc1 ZINC000035317078 557691785 /nfs/dbraw/zinc/69/17/85/557691785.db2.gz HYKLVZGVTYIRSI-UHFFFAOYSA-N 0 1 410.524 5.139 40 0 HKABMN O=C(Nc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000035339471 569351693 /nfs/dbraw/zinc/35/16/93/569351693.db2.gz HSGMHJVZAWQQHT-UHFFFAOYSA-N 0 1 421.305 5.047 40 0 HKABMN COc1ccc2nc(SCc3ccc(C(=O)Nc4cccc(C)c4)cc3)[nH]c2c1 ZINC000036646429 560882746 /nfs/dbraw/zinc/88/27/46/560882746.db2.gz MTBUJMUGRIQBNM-UHFFFAOYSA-N 0 1 403.507 5.425 40 0 HKABMN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834057 558817387 /nfs/dbraw/zinc/81/73/87/558817387.db2.gz LERISMKGCVTKFB-GOSISDBHSA-N 0 1 413.348 5.997 40 0 HKABMN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834058 558817398 /nfs/dbraw/zinc/81/73/98/558817398.db2.gz LERISMKGCVTKFB-SFHVURJKSA-N 0 1 413.348 5.997 40 0 HKABMN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038834061 558817369 /nfs/dbraw/zinc/81/73/69/558817369.db2.gz UOKNZAIXABFGNA-QGZVFWFLSA-N 0 1 413.348 5.997 40 0 HKABMN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038834062 558817359 /nfs/dbraw/zinc/81/73/59/558817359.db2.gz UOKNZAIXABFGNA-KRWDZBQOSA-N 0 1 413.348 5.997 40 0 HKABMN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039747649 558686816 /nfs/dbraw/zinc/68/68/16/558686816.db2.gz BXCZZYDITYZTHS-UHFFFAOYSA-N 0 1 420.940 5.983 40 0 HKABMN Cc1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)ccc1Br ZINC000039747760 558686887 /nfs/dbraw/zinc/68/68/87/558686887.db2.gz IBOQFMNUUUOEBH-UHFFFAOYSA-N 0 1 421.766 5.262 40 0 HKABMN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039751141 558687158 /nfs/dbraw/zinc/68/71/58/558687158.db2.gz UXQFDTPIJHEIBY-UHFFFAOYSA-N 0 1 411.760 5.175 40 0 HKABMN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000039753502 558687403 /nfs/dbraw/zinc/68/74/03/558687403.db2.gz KEVKQTRMEYTFPX-UHFFFAOYSA-N 0 1 418.512 5.255 40 0 HKABMN O=C(C1CCN(Cc2ccccc2F)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039755286 558687633 /nfs/dbraw/zinc/68/76/33/558687633.db2.gz KIACNCOQGKRKIO-UHFFFAOYSA-N 0 1 416.540 5.267 40 0 HKABMN O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039755777 558687640 /nfs/dbraw/zinc/68/76/40/558687640.db2.gz DMQQMMIXOPCLBN-UHFFFAOYSA-N 0 1 423.409 5.114 40 0 HKABMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccccc2F)CC1 ZINC000039755792 558687520 /nfs/dbraw/zinc/68/75/20/558687520.db2.gz UMAYLPRWFSHOLT-UHFFFAOYSA-N 0 1 414.830 5.349 40 0 HKABMN O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039756104 558687916 /nfs/dbraw/zinc/68/79/16/558687916.db2.gz DEHYRVXTQMETTL-UHFFFAOYSA-N 0 1 423.409 5.114 40 0 HKABMN O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000039756992 558687864 /nfs/dbraw/zinc/68/78/64/558687864.db2.gz DJRIVEUAFXUKFQ-UHFFFAOYSA-N 0 1 410.989 5.033 40 0 HKABMN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039759351 558689577 /nfs/dbraw/zinc/68/95/77/558689577.db2.gz JXMJUKUUQFIQQB-SFHVURJKSA-N 0 1 413.005 5.727 40 0 HKABMN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039759352 558689940 /nfs/dbraw/zinc/68/99/40/558689940.db2.gz JXMJUKUUQFIQQB-GOSISDBHSA-N 0 1 413.005 5.727 40 0 HKABMN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039760086 558685289 /nfs/dbraw/zinc/68/52/89/558685289.db2.gz JRPLUVWTKRMBQX-UHFFFAOYSA-N 0 1 420.940 5.983 40 0 HKABMN C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039761061 558685591 /nfs/dbraw/zinc/68/55/91/558685591.db2.gz AEECGAFPERRTAK-SFHVURJKSA-N 0 1 413.005 5.727 40 0 HKABMN C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039761062 558685631 /nfs/dbraw/zinc/68/56/31/558685631.db2.gz AEECGAFPERRTAK-GOSISDBHSA-N 0 1 413.005 5.727 40 0 HKABMN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccccc2F)CC1 ZINC000039761211 558685616 /nfs/dbraw/zinc/68/56/16/558685616.db2.gz ILXCCTQJTPHOPB-UHFFFAOYSA-N 0 1 404.485 5.469 40 0 HKABMN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039761791 558685539 /nfs/dbraw/zinc/68/55/39/558685539.db2.gz JTFSXEJIPZFKPZ-UHFFFAOYSA-N 0 1 418.968 5.458 40 0 HKABMN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039761835 558685544 /nfs/dbraw/zinc/68/55/44/558685544.db2.gz GQGWROOPMXUFFF-UHFFFAOYSA-N 0 1 418.968 5.458 40 0 HKABMN O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccccc2F)CC1 ZINC000039765551 558685818 /nfs/dbraw/zinc/68/58/18/558685818.db2.gz LAXDSXPMSUSBKC-UHFFFAOYSA-N 0 1 420.553 5.828 40 0 HKABMN Cc1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Br ZINC000039772491 558686378 /nfs/dbraw/zinc/68/63/78/558686378.db2.gz IBQMBHDGRXUOKE-UHFFFAOYSA-N 0 1 421.766 5.262 40 0 HKABMN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000039773262 558686552 /nfs/dbraw/zinc/68/65/52/558686552.db2.gz QEHDMFHZVXAVRH-UHFFFAOYSA-N 0 1 410.989 5.033 40 0 HKABMN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039773453 558686530 /nfs/dbraw/zinc/68/65/30/558686530.db2.gz YSCLOFJOLYZQKB-UHFFFAOYSA-N 0 1 420.940 5.983 40 0 HKABMN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2ccccc2F)CC1 ZINC000039773469 558686502 /nfs/dbraw/zinc/68/65/02/558686502.db2.gz GRPCVXHQOJBFBZ-UHFFFAOYSA-N 0 1 414.830 5.349 40 0 HKABMN CC(C)(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000041105657 519014128 /nfs/dbraw/zinc/01/41/28/519014128.db2.gz LICFVCDHSDWBPK-UHFFFAOYSA-N 0 1 402.741 5.201 40 0 HKABMN CC(C)(O)c1ccccc1-c1ccc2nc(C=Cc3ccc(C(F)(F)F)cc3)[nH]c2c1 ZINC000043175494 571317674 /nfs/dbraw/zinc/31/76/74/571317674.db2.gz ORDHXXHTBUZRCN-NTEUORMPSA-N 0 1 422.450 6.647 40 0 investigational HKABMN O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000044850275 527256054 /nfs/dbraw/zinc/25/60/54/527256054.db2.gz ZFUOZVBWDSTZJG-UHFFFAOYSA-N 0 1 417.486 6.072 40 0 HKABMN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000044917182 527243880 /nfs/dbraw/zinc/24/38/80/527243880.db2.gz SQJYAAYEPHCSCI-UHFFFAOYSA-N 0 1 412.961 5.512 40 0 HKABMN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000044917186 527244557 /nfs/dbraw/zinc/24/45/57/527244557.db2.gz JORPHLAEKYMDTQ-UHFFFAOYSA-N 0 1 412.961 5.512 40 0 HKABMN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000044917191 527244199 /nfs/dbraw/zinc/24/41/99/527244199.db2.gz KEPYRPTUWKJQGW-UHFFFAOYSA-N 0 1 412.961 5.512 40 0 HKABMN c1[nH]c2ccccc2c1CN1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 ZINC000049590615 291299260 /nfs/dbraw/zinc/29/92/60/291299260.db2.gz JMSUFOLIQHCXDH-QHCPKHFHSA-N 0 1 422.492 5.012 40 0 biogenic,in-vitro HKABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 ZINC000054363524 558868078 /nfs/dbraw/zinc/86/80/78/558868078.db2.gz RJVXQCGFKWOENH-UHFFFAOYSA-N 0 1 409.132 5.174 40 0 HKABMN CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000054363525 558868018 /nfs/dbraw/zinc/86/80/18/558868018.db2.gz GYFCGFHQEZXOSM-UHFFFAOYSA-N 0 1 423.159 5.428 40 0 HKABMN O=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccs1 ZINC000057462813 568493306 /nfs/dbraw/zinc/49/33/06/568493306.db2.gz SDCAEXLFMZYIIN-UHFFFAOYSA-N 0 1 412.558 5.060 40 0 HKABMN CCOc1ccc2cc(CNc3ccc(N4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057718345 568495992 /nfs/dbraw/zinc/49/59/92/568495992.db2.gz PPLMCAKCQLLEBD-HDICACEKSA-N 0 1 405.542 5.021 40 0 HKABMN CCOc1ccc2cc(CNc3ccc(N4C[C@@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057718355 568496123 /nfs/dbraw/zinc/49/61/23/568496123.db2.gz PPLMCAKCQLLEBD-ROUUACIJSA-N 0 1 405.542 5.021 40 0 HKABMN CCOc1ccc2cc(CNc3ccc(N4C[C@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057718362 568496113 /nfs/dbraw/zinc/49/61/13/568496113.db2.gz PPLMCAKCQLLEBD-QZTJIDSGSA-N 0 1 405.542 5.021 40 0 HKABMN CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718398 568496200 /nfs/dbraw/zinc/49/62/00/568496200.db2.gz CXUUXRNIKSHXFZ-HDICACEKSA-N 0 1 405.542 5.021 40 0 HKABMN CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718407 568496203 /nfs/dbraw/zinc/49/62/03/568496203.db2.gz CXUUXRNIKSHXFZ-ROUUACIJSA-N 0 1 405.542 5.021 40 0 HKABMN CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 ZINC000057718420 568496126 /nfs/dbraw/zinc/49/61/26/568496126.db2.gz CXUUXRNIKSHXFZ-QZTJIDSGSA-N 0 1 405.542 5.021 40 0 HKABMN C[C@@H]1CN(Cc2ccccc2F)CCN1Cc1ccc2c(c1)c1ccccc1n2C ZINC000057731463 568496505 /nfs/dbraw/zinc/49/65/05/568496505.db2.gz VWUHOHYUGQNLLV-LJQANCHMSA-N 0 1 401.529 5.177 40 0 HKABMN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(Cc4ccccc4F)CC3)c12 ZINC000057731742 568496518 /nfs/dbraw/zinc/49/65/18/568496518.db2.gz HSNLSLMRVBIGNO-UHFFFAOYSA-N 0 1 422.548 5.346 40 0 HKABMN Clc1nc2c(cc1CN1CCCCC1)c(-c1ccccc1)nn2-c1ccccc1 ZINC000057740255 568495412 /nfs/dbraw/zinc/49/54/12/568495412.db2.gz KCZLKZHGFKXSBM-UHFFFAOYSA-N 0 1 402.929 5.727 40 0 HKABMN CC1CCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)CC1 ZINC000057740287 568495420 /nfs/dbraw/zinc/49/54/20/568495420.db2.gz IIETXYYBRSZARZ-UHFFFAOYSA-N 0 1 416.956 5.973 40 0 HKABMN C[C@@H]1CCCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740296 568495381 /nfs/dbraw/zinc/49/53/81/568495381.db2.gz DVXJUFRORUULMV-GOSISDBHSA-N 0 1 416.956 5.973 40 0 HKABMN C[C@H]1CCCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740303 568495424 /nfs/dbraw/zinc/49/54/24/568495424.db2.gz DVXJUFRORUULMV-SFHVURJKSA-N 0 1 416.956 5.973 40 0 HKABMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000059795260 569352390 /nfs/dbraw/zinc/35/23/90/569352390.db2.gz IMPONONZLXLEIS-UHFFFAOYSA-N 0 1 413.717 5.163 40 0 HKABMN COc1ccc(C(=O)CSc2nc(SCc3cccc4ccccc43)n[nH]2)cc1 ZINC000070503700 558892544 /nfs/dbraw/zinc/89/25/44/558892544.db2.gz XBJGCEHRZIPAEX-UHFFFAOYSA-N 0 1 421.547 5.234 40 0 HKABMN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072214764 559168474 /nfs/dbraw/zinc/16/84/74/559168474.db2.gz CVSROGPRUMEGQE-QFIPXVFZSA-N 0 1 409.574 5.960 40 0 HKABMN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072214765 559168480 /nfs/dbraw/zinc/16/84/80/559168480.db2.gz CVSROGPRUMEGQE-JOCHJYFZSA-N 0 1 409.574 5.960 40 0 HKABMN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072214944 559168581 /nfs/dbraw/zinc/16/85/81/559168581.db2.gz YLPGNVDRCHFSEY-QFIPXVFZSA-N 0 1 409.574 5.959 40 0 HKABMN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072214945 559168648 /nfs/dbraw/zinc/16/86/48/559168648.db2.gz YLPGNVDRCHFSEY-JOCHJYFZSA-N 0 1 409.574 5.959 40 0 HKABMN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072215027 559168765 /nfs/dbraw/zinc/16/87/65/559168765.db2.gz HTPCUERSFNMPIM-QFIPXVFZSA-N 0 1 409.574 5.960 40 0 HKABMN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072215028 559168739 /nfs/dbraw/zinc/16/87/39/559168739.db2.gz HTPCUERSFNMPIM-JOCHJYFZSA-N 0 1 409.574 5.960 40 0 HKABMN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072215064 559168696 /nfs/dbraw/zinc/16/86/96/559168696.db2.gz OBXQWFBPOWSABJ-QHCPKHFHSA-N 0 1 423.601 6.350 40 0 HKABMN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072215065 559168702 /nfs/dbraw/zinc/16/87/02/559168702.db2.gz OBXQWFBPOWSABJ-HSZRJFAPSA-N 0 1 423.601 6.350 40 0 HKABMN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072215207 559168756 /nfs/dbraw/zinc/16/87/56/559168756.db2.gz OEMYVDDLKDVNLN-KNQAVFIVSA-N 0 1 409.574 5.959 40 0 HKABMN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072215208 559168670 /nfs/dbraw/zinc/16/86/70/559168670.db2.gz OEMYVDDLKDVNLN-UGKGYDQZSA-N 0 1 409.574 5.959 40 0 HKABMN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072215209 559168761 /nfs/dbraw/zinc/16/87/61/559168761.db2.gz OEMYVDDLKDVNLN-DENIHFKCSA-N 0 1 409.574 5.959 40 0 HKABMN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072215210 559168856 /nfs/dbraw/zinc/16/88/56/559168856.db2.gz OEMYVDDLKDVNLN-SIKLNZKXSA-N 0 1 409.574 5.959 40 0 HKABMN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072215273 559168833 /nfs/dbraw/zinc/16/88/33/559168833.db2.gz ZUWCYXVWOUHCCO-OFNKIYASSA-N 0 1 423.601 6.349 40 0 HKABMN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072215274 559168910 /nfs/dbraw/zinc/16/89/10/559168910.db2.gz ZUWCYXVWOUHCCO-REWPJTCUSA-N 0 1 423.601 6.349 40 0 HKABMN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072215275 559168895 /nfs/dbraw/zinc/16/88/95/559168895.db2.gz ZUWCYXVWOUHCCO-NFBKMPQASA-N 0 1 423.601 6.349 40 0 HKABMN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072215276 559168878 /nfs/dbraw/zinc/16/88/78/559168878.db2.gz ZUWCYXVWOUHCCO-NZQKXSOJSA-N 0 1 423.601 6.349 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000072215408 559168862 /nfs/dbraw/zinc/16/88/62/559168862.db2.gz LKLGOPVPOTVMGY-QFIPXVFZSA-N 0 1 407.558 5.713 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000072215409 559169018 /nfs/dbraw/zinc/16/90/18/559169018.db2.gz LKLGOPVPOTVMGY-JOCHJYFZSA-N 0 1 407.558 5.713 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1Cc1ccccc1)C1CCC1 ZINC000072215491 559169044 /nfs/dbraw/zinc/16/90/44/559169044.db2.gz WDWSXUHVCFCRTC-QFIPXVFZSA-N 0 1 407.558 5.713 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1Cc1ccccc1)C1CCC1 ZINC000072215492 559169056 /nfs/dbraw/zinc/16/90/56/559169056.db2.gz WDWSXUHVCFCRTC-JOCHJYFZSA-N 0 1 407.558 5.713 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C1CCC1 ZINC000072215528 559169012 /nfs/dbraw/zinc/16/90/12/559169012.db2.gz QGRMGSCLAUZESC-QHCPKHFHSA-N 0 1 421.585 6.103 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C1CCC1 ZINC000072215529 559169009 /nfs/dbraw/zinc/16/90/09/559169009.db2.gz QGRMGSCLAUZESC-HSZRJFAPSA-N 0 1 421.585 6.103 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC000072215611 559167977 /nfs/dbraw/zinc/16/79/77/559167977.db2.gz JQIZWDGEGSDSFA-QHCPKHFHSA-N 0 1 421.585 6.103 40 0 HKABMN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC000072215612 559168005 /nfs/dbraw/zinc/16/80/05/559168005.db2.gz JQIZWDGEGSDSFA-HSZRJFAPSA-N 0 1 421.585 6.103 40 0 HKABMN CCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215760 559169450 /nfs/dbraw/zinc/16/94/50/559169450.db2.gz UEQJOQSZGLGWOZ-OAQYLSRUSA-N 0 1 401.595 6.093 40 0 HKABMN CCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215761 559169358 /nfs/dbraw/zinc/16/93/58/559169358.db2.gz UEQJOQSZGLGWOZ-NRFANRHFSA-N 0 1 401.595 6.093 40 0 HKABMN CC(C)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215762 559169480 /nfs/dbraw/zinc/16/94/80/559169480.db2.gz LDLQZUFODNTRQY-OAQYLSRUSA-N 0 1 401.595 6.091 40 0 HKABMN CC(C)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215763 559169412 /nfs/dbraw/zinc/16/94/12/559169412.db2.gz LDLQZUFODNTRQY-NRFANRHFSA-N 0 1 401.595 6.091 40 0 HKABMN Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccccc4)C=C3C)[nH]c2c1 ZINC000072320841 560077173 /nfs/dbraw/zinc/07/71/73/560077173.db2.gz NXFZGXMVFJTUSP-VABKMULXSA-N 0 1 415.581 5.698 40 0 biogenic,in-vitro HKABMN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(C)cc3[nH]2)C[C@H]1C(C)C ZINC000072320842 560077218 /nfs/dbraw/zinc/07/72/18/560077218.db2.gz AHQDAKKMUBBDSI-FKBYEOEOSA-N 0 1 409.618 5.821 40 0 biogenic,in-vitro HKABMN Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH]c2c1 ZINC000072320843 560077074 /nfs/dbraw/zinc/07/70/74/560077074.db2.gz JLYVYGVEWUYESF-VABKMULXSA-N 0 1 421.629 5.965 40 0 biogenic,in-vitro HKABMN CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320857 560077188 /nfs/dbraw/zinc/07/71/88/560077188.db2.gz YYOWGXAMKLYXFY-ONTIZHBOSA-N 0 1 419.544 5.529 40 0 biogenic,in-vitro HKABMN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(F)cc3[nH]2)C[C@H]1C(C)C ZINC000072320858 560077092 /nfs/dbraw/zinc/07/70/92/560077092.db2.gz KDZDAAUYMMCLCJ-ZJOUEHCJSA-N 0 1 413.581 5.652 40 0 biogenic,in-vitro HKABMN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cccc(C)c3[nH]2)C[C@H]1C(C)C ZINC000072320963 560076931 /nfs/dbraw/zinc/07/69/31/560076931.db2.gz JICXQTKWRNAWLY-FKBYEOEOSA-N 0 1 409.618 5.821 40 0 biogenic,in-vitro HKABMN Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH]c21 ZINC000072320964 560076987 /nfs/dbraw/zinc/07/69/87/560076987.db2.gz WITRYHSZUCBDTN-VABKMULXSA-N 0 1 421.629 5.965 40 0 biogenic,in-vitro HKABMN CN(C)c1nc2ccccc2cc1CN1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353092 558949713 /nfs/dbraw/zinc/94/97/13/558949713.db2.gz AINKQWYRSDDCFE-XMMPIXPASA-N 0 1 424.552 5.172 40 0 HKABMN CN(C)c1nc2ccccc2cc1CN1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353093 558949623 /nfs/dbraw/zinc/94/96/23/558949623.db2.gz AINKQWYRSDDCFE-DEOSSOPVSA-N 0 1 424.552 5.172 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353200 558949862 /nfs/dbraw/zinc/94/98/62/558949862.db2.gz LNJZHUMVMUCIIT-JOCHJYFZSA-N 0 1 408.525 5.091 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353201 558949877 /nfs/dbraw/zinc/94/98/77/558949877.db2.gz LNJZHUMVMUCIIT-QFIPXVFZSA-N 0 1 408.525 5.091 40 0 HKABMN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)C4CCCCC4)C3)n[nH]2)cc1 ZINC000072371257 558958003 /nfs/dbraw/zinc/95/80/03/558958003.db2.gz JEVIXKMDIOXMAL-OAQYLSRUSA-N 0 1 409.574 5.051 40 0 HKABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)C4CCCCC4)C3)n[nH]2)cc1 ZINC000072371258 558958007 /nfs/dbraw/zinc/95/80/07/558958007.db2.gz JEVIXKMDIOXMAL-NRFANRHFSA-N 0 1 409.574 5.051 40 0 HKABMN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)CC4CCCC4)C3)n[nH]2)cc1 ZINC000072371405 558958030 /nfs/dbraw/zinc/95/80/30/558958030.db2.gz MTVVHMWTGIAMNI-OAQYLSRUSA-N 0 1 409.574 5.051 40 0 HKABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)CC4CCCC4)C3)n[nH]2)cc1 ZINC000072371406 558958220 /nfs/dbraw/zinc/95/82/20/558958220.db2.gz MTVVHMWTGIAMNI-NRFANRHFSA-N 0 1 409.574 5.051 40 0 HKABMN Cc1c(CN2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C ZINC000072374141 558961511 /nfs/dbraw/zinc/96/15/11/558961511.db2.gz AQJLNIXVZNMDIP-JOCHJYFZSA-N 0 1 414.475 5.070 40 0 HKABMN Cc1c(CN2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C ZINC000072374142 558961477 /nfs/dbraw/zinc/96/14/77/558961477.db2.gz AQJLNIXVZNMDIP-QFIPXVFZSA-N 0 1 414.475 5.070 40 0 HKABMN Cc1nc2cc(C)ccn2c1CN1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375781 558964589 /nfs/dbraw/zinc/96/45/89/558964589.db2.gz GJTIPZMEYYYBPG-OAQYLSRUSA-N 0 1 412.541 5.130 40 0 HKABMN Cc1nc2cc(C)ccn2c1CN1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375782 558964641 /nfs/dbraw/zinc/96/46/41/558964641.db2.gz GJTIPZMEYYYBPG-NRFANRHFSA-N 0 1 412.541 5.130 40 0 HKABMN Cc1nc2c(C)cccn2c1CN1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375785 558964648 /nfs/dbraw/zinc/96/46/48/558964648.db2.gz OLVCIHXRVOKHSX-OAQYLSRUSA-N 0 1 412.541 5.130 40 0 HKABMN Cc1nc2c(C)cccn2c1CN1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375786 558964677 /nfs/dbraw/zinc/96/46/77/558964677.db2.gz OLVCIHXRVOKHSX-NRFANRHFSA-N 0 1 412.541 5.130 40 0 HKABMN Cc1csc(Nc2cccc([C@H]3CCCN3Cc3c(C)nc4c(C)cccn34)n2)n1 ZINC000072375787 558964593 /nfs/dbraw/zinc/96/45/93/558964593.db2.gz SQHMBABOJXWSPJ-LJQANCHMSA-N 0 1 418.570 5.192 40 0 HKABMN Cc1csc(Nc2cccc([C@@H]3CCCN3Cc3c(C)nc4c(C)cccn34)n2)n1 ZINC000072375788 558964644 /nfs/dbraw/zinc/96/46/44/558964644.db2.gz SQHMBABOJXWSPJ-IBGZPJMESA-N 0 1 418.570 5.192 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375799 558964605 /nfs/dbraw/zinc/96/46/05/558964605.db2.gz WIFSCEGMGWHVIL-QFIPXVFZSA-N 0 1 404.562 5.260 40 0 HKABMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375800 558964622 /nfs/dbraw/zinc/96/46/22/558964622.db2.gz WIFSCEGMGWHVIL-JOCHJYFZSA-N 0 1 404.562 5.260 40 0 HKABMN Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)n2)s1 ZINC000072375801 558964828 /nfs/dbraw/zinc/96/48/28/558964828.db2.gz WRPFEYVMCRERBK-FQEVSTJZSA-N 0 1 410.591 5.321 40 0 HKABMN Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)n2)s1 ZINC000072375802 558964846 /nfs/dbraw/zinc/96/48/46/558964846.db2.gz WRPFEYVMCRERBK-HXUWFJFHSA-N 0 1 410.591 5.321 40 0 HKABMN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 ZINC000072380259 558968323 /nfs/dbraw/zinc/96/83/23/558968323.db2.gz JKTFTQOZVRQMNX-MRXNPFEDSA-N 0 1 400.309 5.403 40 0 HKABMN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 ZINC000072380260 558968540 /nfs/dbraw/zinc/96/85/40/558968540.db2.gz JKTFTQOZVRQMNX-INIZCTEOSA-N 0 1 400.309 5.403 40 0 HKABMN O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000072380385 558968442 /nfs/dbraw/zinc/96/84/42/558968442.db2.gz KRGWFDNULLIYIM-SFHVURJKSA-N 0 1 411.908 5.208 40 0 HKABMN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000072380386 558968578 /nfs/dbraw/zinc/96/85/78/558968578.db2.gz KRGWFDNULLIYIM-GOSISDBHSA-N 0 1 411.908 5.208 40 0 HKABMN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1 ZINC000072380389 558968550 /nfs/dbraw/zinc/96/85/50/558968550.db2.gz HYVPBAYWBLHNDU-GOSISDBHSA-N 0 1 411.908 5.208 40 0 HKABMN O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 ZINC000072380390 558968463 /nfs/dbraw/zinc/96/84/63/558968463.db2.gz HYVPBAYWBLHNDU-SFHVURJKSA-N 0 1 411.908 5.208 40 0 HKABMN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2ccc(C)cc2OC)n1 ZINC000072390645 558970839 /nfs/dbraw/zinc/97/08/39/558970839.db2.gz LPIAXFBGEOJSHP-QHCPKHFHSA-N 0 1 416.569 5.535 40 0 HKABMN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(C)cc2OC)n1 ZINC000072390646 558970860 /nfs/dbraw/zinc/97/08/60/558970860.db2.gz LPIAXFBGEOJSHP-HSZRJFAPSA-N 0 1 416.569 5.535 40 0 HKABMN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cccc(C)c2OC)n1 ZINC000072390691 558970852 /nfs/dbraw/zinc/97/08/52/558970852.db2.gz KQGOXIQFDIRMGT-QHCPKHFHSA-N 0 1 416.569 5.535 40 0 HKABMN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cccc(C)c2OC)n1 ZINC000072390692 558970770 /nfs/dbraw/zinc/97/07/70/558970770.db2.gz KQGOXIQFDIRMGT-HSZRJFAPSA-N 0 1 416.569 5.535 40 0 HKABMN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cc(C)ccc2OC)n1 ZINC000072390693 558970796 /nfs/dbraw/zinc/97/07/96/558970796.db2.gz SJTYLSQSPACOMM-QHCPKHFHSA-N 0 1 416.569 5.535 40 0 HKABMN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cc(C)ccc2OC)n1 ZINC000072390694 558970828 /nfs/dbraw/zinc/97/08/28/558970828.db2.gz SJTYLSQSPACOMM-HSZRJFAPSA-N 0 1 416.569 5.535 40 0 HKABMN O=C([O-])CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000073633151 558986703 /nfs/dbraw/zinc/98/67/03/558986703.db2.gz KOYRDNWTOISRKK-UHFFFAOYSA-N 0 1 407.485 5.272 40 0 HKABMN Cc1cc2nc(-c3cc(Br)cc(Br)c3N)[nH]c2cc1Cl ZINC000073634803 558809409 /nfs/dbraw/zinc/80/94/09/558809409.db2.gz VSAKHSZBKZMWGX-UHFFFAOYSA-N 0 1 415.516 5.299 40 0 HKABMN Cc1cc2nc(-c3ccc(Br)cc3Br)[nH]c2cc1Cl ZINC000073638181 558849204 /nfs/dbraw/zinc/84/92/04/558849204.db2.gz ZXNYFEWTMVGZMY-UHFFFAOYSA-N 0 1 400.501 5.717 40 0 HKABMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1 ZINC000078404116 559012338 /nfs/dbraw/zinc/01/23/38/559012338.db2.gz JKPNXOAHTIMPQK-CQSZACIVSA-N 0 1 414.914 5.290 40 0 HKABMN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1 ZINC000078404118 559012316 /nfs/dbraw/zinc/01/23/16/559012316.db2.gz JKPNXOAHTIMPQK-AWEZNQCLSA-N 0 1 414.914 5.290 40 0 HKABMN Cc1cc2nc(-c3ccc(-c4ccc(Br)cc4Cl)o3)[nH]c2c(C)c1 ZINC000085345367 569271146 /nfs/dbraw/zinc/27/11/46/569271146.db2.gz VUPVGOLPGOHTGH-UHFFFAOYSA-N 0 1 401.691 6.523 40 0 HKABMN Clc1ccc2nc(-c3ccc(-c4ccc(Br)cc4Cl)o3)[nH]c2c1 ZINC000085345374 569271188 /nfs/dbraw/zinc/27/11/88/569271188.db2.gz YGOAITDQBPDGNC-UHFFFAOYSA-N 0 1 408.082 6.559 40 0 HKABMN Clc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4Br)o3)[nH]c2c1 ZINC000085345378 569271204 /nfs/dbraw/zinc/27/12/04/569271204.db2.gz HZHQGDOQHCHEHQ-UHFFFAOYSA-N 0 1 408.082 6.559 40 0 HKABMN Cc1cc2nc(-c3ccc(-c4ccc(Cl)cc4Br)o3)[nH]c2c(C)c1 ZINC000085345394 569271170 /nfs/dbraw/zinc/27/11/70/569271170.db2.gz MVPDFZBGAVSWHJ-UHFFFAOYSA-N 0 1 401.691 6.523 40 0 HKABMN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2ccc(C(C)C)cc2)c1C ZINC000096315931 559109589 /nfs/dbraw/zinc/10/95/89/559109589.db2.gz NHAKTQIUTYCJTP-QFIPXVFZSA-N 0 1 419.573 5.275 40 0 HKABMN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2ccc(C(C)C)cc2)c1C ZINC000096315932 559109630 /nfs/dbraw/zinc/10/96/30/559109630.db2.gz NHAKTQIUTYCJTP-JOCHJYFZSA-N 0 1 419.573 5.275 40 0 HKABMN COc1ccc2c(c1)CCN=C2Cc1cc(OCc2ccccc2)c(OC)cc1C ZINC000096316369 291295443 /nfs/dbraw/zinc/29/54/43/291295443.db2.gz AWYZATHQLCPHEZ-UHFFFAOYSA-N 0 1 401.506 5.179 40 0 biogenic,in-vitro HKABMN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000096625778 559111704 /nfs/dbraw/zinc/11/17/04/559111704.db2.gz PSDXXSWCMRSJDT-UHFFFAOYSA-N 0 1 412.839 5.089 40 0 HKABMN O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000096625791 559111701 /nfs/dbraw/zinc/11/17/01/559111701.db2.gz UBPGROATDKXSCF-UHFFFAOYSA-N 0 1 411.977 5.181 40 0 HKABMN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000096625860 559111775 /nfs/dbraw/zinc/11/17/75/559111775.db2.gz YHQXMKQSUMBCGO-UHFFFAOYSA-N 0 1 412.839 5.089 40 0 HKABMN O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000096625873 559111709 /nfs/dbraw/zinc/11/17/09/559111709.db2.gz RVIYZASTHJKNSR-UHFFFAOYSA-N 0 1 411.977 5.181 40 0 HKABMN O=C(C=C(O)CC(O)(c1ccccc1)c1ccccc1)CCc1ccccc1Cl ZINC000100478344 559135616 /nfs/dbraw/zinc/13/56/16/559135616.db2.gz YQWNFTFYVUKKDB-UHFFFAOYSA-N 0 1 406.909 5.127 40 0 HKABMN CC1=NN(c2ccccc2)C(=O)C1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100989652 559142509 /nfs/dbraw/zinc/14/25/09/559142509.db2.gz OAUKFGBFQARAMC-UHFFFAOYSA-N 0 1 416.524 6.269 40 0 HKABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100989652 559142512 /nfs/dbraw/zinc/14/25/12/559142512.db2.gz OAUKFGBFQARAMC-UHFFFAOYSA-N 0 1 416.524 6.269 40 0 HKABMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000103523624 559156130 /nfs/dbraw/zinc/15/61/30/559156130.db2.gz YPOPPLOITLZNCL-DEOSSOPVSA-N 0 1 418.537 6.144 40 0 HKABMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000103523628 559156188 /nfs/dbraw/zinc/15/61/88/559156188.db2.gz YPOPPLOITLZNCL-XMMPIXPASA-N 0 1 418.537 6.144 40 0 HKABMN Cc1ccc(C)c(N=C2C[C@H](c3ccc(F)cc3)N(c3cc(C)ccc3C)C2=O)c1 ZINC000103670339 560734411 /nfs/dbraw/zinc/73/44/11/560734411.db2.gz DALUQYVXUUIISZ-RUZDIDTESA-N 0 1 400.497 6.143 40 0 HKABMN Cc1ccc(C)c(N=C2C[C@@H](c3ccc(F)cc3)N(c3cc(C)ccc3C)C2=O)c1 ZINC000103670343 560734397 /nfs/dbraw/zinc/73/43/97/560734397.db2.gz DALUQYVXUUIISZ-VWLOTQADSA-N 0 1 400.497 6.143 40 0 HKABMN Cc1cc(C)cc(N=C2C[C@H](c3ccc(F)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103670351 560734405 /nfs/dbraw/zinc/73/44/05/560734405.db2.gz RIBCYGHHLBAALF-RUZDIDTESA-N 0 1 400.497 6.143 40 0 HKABMN Cc1cc(C)cc(N=C2C[C@@H](c3ccc(F)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103670358 560734413 /nfs/dbraw/zinc/73/44/13/560734413.db2.gz RIBCYGHHLBAALF-VWLOTQADSA-N 0 1 400.497 6.143 40 0 HKABMN CC(C)c1ccc(N=C2C[C@H](c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000103672142 560734570 /nfs/dbraw/zinc/73/45/70/560734570.db2.gz YLHBUQIIKYYCIG-HHHXNRCGSA-N 0 1 410.561 7.017 40 0 HKABMN CC(C)c1ccc(N=C2C[C@@H](c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000103672146 560734601 /nfs/dbraw/zinc/73/46/01/560734601.db2.gz YLHBUQIIKYYCIG-MHZLTWQESA-N 0 1 410.561 7.017 40 0 HKABMN Cc1cc(C)cc(N=C2C[C@H](c3ccc(Cl)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103673169 560734515 /nfs/dbraw/zinc/73/45/15/560734515.db2.gz UHVPUIGXUXCXFE-RUZDIDTESA-N 0 1 416.952 6.658 40 0 HKABMN Cc1cc(C)cc(N=C2C[C@@H](c3ccc(Cl)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103673176 560734598 /nfs/dbraw/zinc/73/45/98/560734598.db2.gz UHVPUIGXUXCXFE-VWLOTQADSA-N 0 1 416.952 6.658 40 0 HKABMN O=C1C(=Nc2ccccc2)C[C@H](c2cccc(Br)c2)N1c1ccccc1 ZINC000103753461 560734510 /nfs/dbraw/zinc/73/45/10/560734510.db2.gz KQIFUFRWNRGQTP-OAQYLSRUSA-N 0 1 405.295 5.533 40 0 HKABMN O=C1C(=Nc2ccccc2)C[C@@H](c2cccc(Br)c2)N1c1ccccc1 ZINC000103753467 560734545 /nfs/dbraw/zinc/73/45/45/560734545.db2.gz KQIFUFRWNRGQTP-NRFANRHFSA-N 0 1 405.295 5.533 40 0 HKABMN COc1ccc([C@H]2CC(=Nc3cc(C)cc(C)c3)C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000103753542 560734526 /nfs/dbraw/zinc/73/45/26/560734526.db2.gz LDKRXALVWIALBT-AREMUKBSSA-N 0 1 412.533 6.013 40 0 HKABMN COc1ccc([C@@H]2CC(=Nc3cc(C)cc(C)c3)C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000103753548 560734585 /nfs/dbraw/zinc/73/45/85/560734585.db2.gz LDKRXALVWIALBT-SANMLTNESA-N 0 1 412.533 6.013 40 0 HKABMN CCc1cccc(NC2=C[C@H](c3ccc(OC)cc3)N(c3cccc(CC)c3)C2=O)c1 ZINC000103753583 560734581 /nfs/dbraw/zinc/73/45/81/560734581.db2.gz DHXVLFDNPSPPIZ-AREMUKBSSA-N 0 1 412.533 5.904 40 0 HKABMN CCc1cccc(NC2=C[C@@H](c3ccc(OC)cc3)N(c3cccc(CC)c3)C2=O)c1 ZINC000103753589 560734603 /nfs/dbraw/zinc/73/46/03/560734603.db2.gz DHXVLFDNPSPPIZ-SANMLTNESA-N 0 1 412.533 5.904 40 0 HKABMN CSc1cccc(NC2=C[C@H](c3ccccc3)N(c3cccc(SC)c3)C2=O)c1 ZINC000103753724 560734534 /nfs/dbraw/zinc/73/45/34/560734534.db2.gz BWNUZALCKBEOTH-HSZRJFAPSA-N 0 1 418.587 6.214 40 0 HKABMN CSc1cccc(NC2=C[C@@H](c3ccccc3)N(c3cccc(SC)c3)C2=O)c1 ZINC000103753728 560734632 /nfs/dbraw/zinc/73/46/32/560734632.db2.gz BWNUZALCKBEOTH-QHCPKHFHSA-N 0 1 418.587 6.214 40 0 HKABMN Cc1ccc([C@@H]2CC(=Nc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000103768064 560734647 /nfs/dbraw/zinc/73/46/47/560734647.db2.gz ZMQOGHLJIGPYPK-NDEPHWFRSA-N 0 1 424.588 7.326 40 0 HKABMN Cc1ccc([C@H]2CC(=Nc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000103768071 560734628 /nfs/dbraw/zinc/73/46/28/560734628.db2.gz ZMQOGHLJIGPYPK-MUUNZHRXSA-N 0 1 424.588 7.326 40 0 HKABMN Clc1ccc(N=C(NCc2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000105628090 560738977 /nfs/dbraw/zinc/73/89/77/560738977.db2.gz POSLUUGKTZCCDP-UHFFFAOYSA-N 0 1 410.948 6.959 40 0 HKABMN O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106688446 560745371 /nfs/dbraw/zinc/74/53/71/560745371.db2.gz HROLMHKRCWAMSI-NSIKDUERSA-N 0 1 414.697 5.589 40 0 HKABMN Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1 ZINC000106781759 560746281 /nfs/dbraw/zinc/74/62/81/560746281.db2.gz ULYCLFDDLMZRBX-SXGWCWSVSA-N 0 1 424.305 5.123 40 0 HKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1C ZINC000107609159 569352754 /nfs/dbraw/zinc/35/27/54/569352754.db2.gz OCRSMYUBJCYDLO-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Cl ZINC000108172643 569353490 /nfs/dbraw/zinc/35/34/90/569353490.db2.gz JPAXBBHTLLDBKF-UHFFFAOYSA-N 0 1 424.305 5.595 40 0 HKABMN CCCOc1ccccc1-c1cc(C(=O)Nc2cc3cc(C)oc3c(Cl)c2)[nH]n1 ZINC000141536778 569354674 /nfs/dbraw/zinc/35/46/74/569354674.db2.gz JYCZQVCGJRNPKE-UHFFFAOYSA-N 0 1 409.873 5.826 40 0 HKABMN CC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 ZINC000141559136 569354740 /nfs/dbraw/zinc/35/47/40/569354740.db2.gz IZOSXRFSKQEEAA-HXUWFJFHSA-N 0 1 417.553 5.037 40 0 HKABMN CC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 ZINC000141559335 569354787 /nfs/dbraw/zinc/35/47/87/569354787.db2.gz IZOSXRFSKQEEAA-FQEVSTJZSA-N 0 1 417.553 5.037 40 0 HKABMN Cc1cc(Nc2ccccc2)nc2cc(Cl)c(S(=O)(=O)Nc3ccccc3)cc12 ZINC000217436054 568880095 /nfs/dbraw/zinc/88/00/95/568880095.db2.gz VLPBSGGASNGWJX-UHFFFAOYSA-N 0 1 423.925 5.741 40 0 HKABMN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000219411243 568491582 /nfs/dbraw/zinc/49/15/82/568491582.db2.gz GJMPHAWKJZTCNE-UHFFFAOYSA-N 0 1 413.005 5.424 40 0 HKABMN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000219412873 568491586 /nfs/dbraw/zinc/49/15/86/568491586.db2.gz SMQBQWZRJVDLNF-UHFFFAOYSA-N 0 1 413.005 5.424 40 0 HKABMN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000219414417 568491538 /nfs/dbraw/zinc/49/15/38/568491538.db2.gz FOASYOAKEBYPEF-UHFFFAOYSA-N 0 1 413.005 5.424 40 0 HKABMN C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222974888 568532794 /nfs/dbraw/zinc/53/27/94/568532794.db2.gz RNDGDRMAZDAECI-GOSISDBHSA-N 0 1 410.989 5.308 40 0 HKABMN C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222974949 568532788 /nfs/dbraw/zinc/53/27/88/568532788.db2.gz RNDGDRMAZDAECI-SFHVURJKSA-N 0 1 410.989 5.308 40 0 HKABMN C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975021 568532777 /nfs/dbraw/zinc/53/27/77/568532777.db2.gz DHBGMFOTEKVFDC-GOSISDBHSA-N 0 1 410.989 5.308 40 0 HKABMN C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975080 568532750 /nfs/dbraw/zinc/53/27/50/568532750.db2.gz DHBGMFOTEKVFDC-SFHVURJKSA-N 0 1 410.989 5.308 40 0 HKABMN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975168 568532806 /nfs/dbraw/zinc/53/28/06/568532806.db2.gz BUUFFPMOHHYGPG-GOSISDBHSA-N 0 1 410.989 5.308 40 0 HKABMN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975233 568532858 /nfs/dbraw/zinc/53/28/58/568532858.db2.gz BUUFFPMOHHYGPG-SFHVURJKSA-N 0 1 410.989 5.308 40 0 HKABMN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000222990482 568533481 /nfs/dbraw/zinc/53/34/81/568533481.db2.gz FEUPOROYTAOFDS-JOCHJYFZSA-N 0 1 414.977 5.137 40 0 HKABMN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000222990544 568533504 /nfs/dbraw/zinc/53/35/04/568533504.db2.gz FEUPOROYTAOFDS-QFIPXVFZSA-N 0 1 414.977 5.137 40 0 HKABMN CC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1 ZINC000223095243 568537419 /nfs/dbraw/zinc/53/74/19/568537419.db2.gz CXFSELBBKTWDAL-JOCHJYFZSA-N 0 1 414.977 5.137 40 0 HKABMN CC[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1 ZINC000223095304 568537450 /nfs/dbraw/zinc/53/74/50/568537450.db2.gz CXFSELBBKTWDAL-QFIPXVFZSA-N 0 1 414.977 5.137 40 0 HKABMN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223104714 568537713 /nfs/dbraw/zinc/53/77/13/568537713.db2.gz NBOJLFXWHWJJJL-RUZDIDTESA-N 0 1 408.561 5.184 40 0 HKABMN CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223104765 568537637 /nfs/dbraw/zinc/53/76/37/568537637.db2.gz NBOJLFXWHWJJJL-VWLOTQADSA-N 0 1 408.561 5.184 40 0 HKABMN CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000223436704 568548980 /nfs/dbraw/zinc/54/89/80/568548980.db2.gz OKXRGIRZKCUWMP-UHFFFAOYSA-N 0 1 416.273 5.535 40 0 HKABMN CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 ZINC000223439262 568548939 /nfs/dbraw/zinc/54/89/39/568548939.db2.gz YSLVJCZFCBOVRF-UHFFFAOYSA-N 0 1 421.996 6.014 40 0 HKABMN COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000223641268 568554520 /nfs/dbraw/zinc/55/45/20/568554520.db2.gz WYYUFRUQTHHCNG-UHFFFAOYSA-N 0 1 403.887 5.250 40 0 HKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000223641491 568554594 /nfs/dbraw/zinc/55/45/94/568554594.db2.gz RAQOGXYJDTXMPK-UHFFFAOYSA-N 0 1 403.887 5.250 40 0 HKABMN COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223641556 568554550 /nfs/dbraw/zinc/55/45/50/568554550.db2.gz JRFWEZIBBFEDBO-UHFFFAOYSA-N 0 1 403.887 5.250 40 0 HKABMN COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000223641705 568554571 /nfs/dbraw/zinc/55/45/71/568554571.db2.gz WYKXIBXOKSKBNL-UHFFFAOYSA-N 0 1 424.305 5.595 40 0 HKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223641922 568554514 /nfs/dbraw/zinc/55/45/14/568554514.db2.gz GPTQDCUNLOBZHT-UHFFFAOYSA-N 0 1 424.305 5.595 40 0 HKABMN COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223642008 568554578 /nfs/dbraw/zinc/55/45/78/568554578.db2.gz NVSZDKDLJGRGFS-UHFFFAOYSA-N 0 1 424.305 5.595 40 0 HKABMN COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000223648070 568554790 /nfs/dbraw/zinc/55/47/90/568554790.db2.gz LCIIZIDIROXXNL-UHFFFAOYSA-N 0 1 407.850 5.081 40 0 HKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000223648403 568554795 /nfs/dbraw/zinc/55/47/95/568554795.db2.gz QGGNPKFZGXLDSP-UHFFFAOYSA-N 0 1 407.850 5.081 40 0 HKABMN COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223648494 568554812 /nfs/dbraw/zinc/55/48/12/568554812.db2.gz LOKZAQKYCRWKOO-UHFFFAOYSA-N 0 1 407.850 5.081 40 0 HKABMN O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000223648769 568554870 /nfs/dbraw/zinc/55/48/70/568554870.db2.gz YUCTXDYWWDSPQS-UHFFFAOYSA-N 0 1 422.333 5.416 40 0 HKABMN CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2O1 ZINC000223666733 568555471 /nfs/dbraw/zinc/55/54/71/568555471.db2.gz VDPJXFHHTGWLOE-UHFFFAOYSA-N 0 1 409.507 5.383 40 0 HKABMN COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)ccc1C ZINC000223675574 568555808 /nfs/dbraw/zinc/55/58/08/568555808.db2.gz AQZQYKOTRDTAPO-UHFFFAOYSA-N 0 1 417.914 5.559 40 0 HKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000223675887 568555829 /nfs/dbraw/zinc/55/58/29/568555829.db2.gz BZCOCWGTHYYGLJ-UHFFFAOYSA-N 0 1 417.914 5.559 40 0 HKABMN COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000223675974 568555869 /nfs/dbraw/zinc/55/58/69/568555869.db2.gz RXLFZKPUUKQOLD-UHFFFAOYSA-N 0 1 417.914 5.559 40 0 HKABMN CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC ZINC000223684004 568556085 /nfs/dbraw/zinc/55/60/85/568556085.db2.gz RUDXJRBVDHABLL-UHFFFAOYSA-N 0 1 417.914 5.504 40 0 HKABMN COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000223690101 568556284 /nfs/dbraw/zinc/55/62/84/568556284.db2.gz YGNHICRABMCGBG-UHFFFAOYSA-N 0 1 415.530 5.103 40 0 HKABMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)c(Cl)c1Cl ZINC000223852772 568560949 /nfs/dbraw/zinc/56/09/49/568560949.db2.gz RJPWQRPRISUWCW-UHFFFAOYSA-N 0 1 422.289 5.702 40 0 HKABMN COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)c(Cl)c1Cl ZINC000223853625 568560923 /nfs/dbraw/zinc/56/09/23/568560923.db2.gz LMYALIFJEDJJIR-UHFFFAOYSA-N 0 1 408.306 5.055 40 0 HKABMN COc1ccc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc2c1 ZINC000223942267 568563902 /nfs/dbraw/zinc/56/39/02/568563902.db2.gz NNUJCFZHIKWYPB-UHFFFAOYSA-N 0 1 421.543 5.800 40 0 HKABMN CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223954061 568564435 /nfs/dbraw/zinc/56/44/35/568564435.db2.gz KMOLGBFMYIFQJK-UHFFFAOYSA-N 0 1 422.978 5.085 40 0 HKABMN CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223954301 568564420 /nfs/dbraw/zinc/56/44/20/568564420.db2.gz GNXDDBNOWACRNK-MRXNPFEDSA-N 0 1 422.978 5.087 40 0 HKABMN CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223954354 568564433 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O=C(Nc1ccc2c3c(cccc31)CC2)C1CCN(Cc2ccccc2Cl)CC1 ZINC000224533775 568583984 /nfs/dbraw/zinc/58/39/84/568583984.db2.gz MKEVXEOWBRFTDC-UHFFFAOYSA-N 0 1 404.941 5.443 40 0 HKABMN O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224534831 568584004 /nfs/dbraw/zinc/58/40/04/568584004.db2.gz OHBPEJKPQKOWNO-UHFFFAOYSA-N 0 1 418.924 6.090 40 0 HKABMN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224535136 568584006 /nfs/dbraw/zinc/58/40/06/568584006.db2.gz GQWQAGRUKSXOCH-UHFFFAOYSA-N 0 1 419.956 5.177 40 0 HKABMN O=C(Nc1ccc2c3c(cccc31)CC2)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224535580 568584021 /nfs/dbraw/zinc/58/40/21/568584021.db2.gz PMKFJKZLHDCHKJ-UHFFFAOYSA-N 0 1 404.941 5.443 40 0 HKABMN O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224536727 568583977 /nfs/dbraw/zinc/58/39/77/568583977.db2.gz FTVFQOQCXCCBQT-UHFFFAOYSA-N 0 1 418.924 6.090 40 0 HKABMN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224537145 568584107 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/nfs/dbraw/zinc/62/67/77/568626777.db2.gz MZMIHRBWLRVTFF-UHFFFAOYSA-N 0 1 412.276 5.798 40 0 HKABMN COc1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1Cl ZINC000225267519 568626841 /nfs/dbraw/zinc/62/68/41/568626841.db2.gz FDRCJDIUMQRJPV-UHFFFAOYSA-N 0 1 412.276 5.798 40 0 HKABMN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1 ZINC000225267621 568626736 /nfs/dbraw/zinc/62/67/36/568626736.db2.gz GLTQERPUHSEUJS-UHFFFAOYSA-N 0 1 419.868 5.312 40 0 HKABMN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1 ZINC000225267756 568626867 /nfs/dbraw/zinc/62/68/67/568626867.db2.gz OAZGIBSZDKPZNZ-UHFFFAOYSA-N 0 1 404.857 5.094 40 0 HKABMN CCCCc1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1 ZINC000225268730 568627010 /nfs/dbraw/zinc/62/70/10/568627010.db2.gz HSCCKUWBEWOMLO-UHFFFAOYSA-N 0 1 403.913 6.478 40 0 HKABMN CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)c1 ZINC000225269007 568626965 /nfs/dbraw/zinc/62/69/65/568626965.db2.gz UPMAJFRWWQMDJC-UHFFFAOYSA-N 0 1 404.857 5.094 40 0 HKABMN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000225269153 568626974 /nfs/dbraw/zinc/62/69/74/568626974.db2.gz ZFVFOYGEJAMQSK-INIZCTEOSA-N 0 1 403.913 5.634 40 0 HKABMN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000225269183 568627141 /nfs/dbraw/zinc/62/71/41/568627141.db2.gz ZFVFOYGEJAMQSK-MRXNPFEDSA-N 0 1 403.913 5.634 40 0 HKABMN O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1Cl ZINC000225270035 568627155 /nfs/dbraw/zinc/62/71/55/568627155.db2.gz KTJMLMNGRTZPKY-UHFFFAOYSA-N 0 1 418.305 5.338 40 0 HKABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CCCC2 ZINC000225525731 568647084 /nfs/dbraw/zinc/64/70/84/568647084.db2.gz BKTYRGCHCRWSSO-UHFFFAOYSA-N 0 1 419.852 5.047 40 0 HKABMN COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000225598243 568655927 /nfs/dbraw/zinc/65/59/27/568655927.db2.gz WJGLLXNLDMDACF-UHFFFAOYSA-N 0 1 421.877 5.389 40 0 HKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2C)c1 ZINC000225599489 568655899 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CC[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225623205 568658167 /nfs/dbraw/zinc/65/81/67/568658167.db2.gz JSQOHROOVKOFHC-QFIPXVFZSA-N 0 1 414.977 5.137 40 0 HKABMN COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000225623757 568658139 /nfs/dbraw/zinc/65/81/39/568658139.db2.gz SQRFWLSPRFABFU-UHFFFAOYSA-N 0 1 417.914 5.559 40 0 HKABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000225728242 568668402 /nfs/dbraw/zinc/66/84/02/568668402.db2.gz QABAJQZWGUEJIJ-UHFFFAOYSA-N 0 1 419.955 5.442 40 0 HKABMN COc1cc(C)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(C)C ZINC000225790920 568674796 /nfs/dbraw/zinc/67/47/96/568674796.db2.gz PZVMIEKDYHWLTQ-UHFFFAOYSA-N 0 1 411.523 5.720 40 0 HKABMN CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000225906615 568684790 /nfs/dbraw/zinc/68/47/90/568684790.db2.gz MIHJQOKSOQGUQJ-QGZVFWFLSA-N 0 1 409.332 5.003 40 0 HKABMN CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000225906635 568684857 /nfs/dbraw/zinc/68/48/57/568684857.db2.gz MIHJQOKSOQGUQJ-KRWDZBQOSA-N 0 1 409.332 5.003 40 0 HKABMN Cc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000225907742 568685070 /nfs/dbraw/zinc/68/50/70/568685070.db2.gz YVBBHZLXWCGWME-GOSISDBHSA-N 0 1 405.369 5.485 40 0 HKABMN Cc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000225907762 568685129 /nfs/dbraw/zinc/68/51/29/568685129.db2.gz YVBBHZLXWCGWME-SFHVURJKSA-N 0 1 405.369 5.485 40 0 HKABMN CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000225909620 568685424 /nfs/dbraw/zinc/68/54/24/568685424.db2.gz HQCXLNNBETZGIQ-MRXNPFEDSA-N 0 1 409.332 5.003 40 0 HKABMN CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000225909637 568685519 /nfs/dbraw/zinc/68/55/19/568685519.db2.gz HQCXLNNBETZGIQ-INIZCTEOSA-N 0 1 409.332 5.003 40 0 HKABMN Cc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000225910797 568685478 /nfs/dbraw/zinc/68/54/78/568685478.db2.gz VSRYJWUFYJZNNF-QGZVFWFLSA-N 0 1 405.369 5.485 40 0 HKABMN Cc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000225910817 568685465 /nfs/dbraw/zinc/68/54/65/568685465.db2.gz VSRYJWUFYJZNNF-KRWDZBQOSA-N 0 1 405.369 5.485 40 0 HKABMN Cc1cc2nc(-c3ccc(-c4nc5cc(Cl)c(C)cc5[nH]4)cc3)[nH]c2cc1Cl ZINC000226237233 559273036 /nfs/dbraw/zinc/27/30/36/559273036.db2.gz SRHPOEKPNHMMBF-UHFFFAOYSA-N 0 1 407.304 6.697 40 0 HKABMN Cc1cc2nc(-c3cccc(-c4nc5cc(Cl)c(C)cc5[nH]4)c3)[nH]c2cc1Cl ZINC000226237294 559273031 /nfs/dbraw/zinc/27/30/31/559273031.db2.gz KVRWAWYUCGOOLA-UHFFFAOYSA-N 0 1 407.304 6.697 40 0 HKABMN Cc1cc2nc(-c3ccc(Cc4ccc(Cl)cc4)cc3)[nH]c2c(Br)c1 ZINC000226342549 559273677 /nfs/dbraw/zinc/27/36/77/559273677.db2.gz TZIILKLAKXEYEY-UHFFFAOYSA-N 0 1 411.730 6.545 40 0 HKABMN CC(C)(C)c1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 ZINC000226342738 559273728 /nfs/dbraw/zinc/27/37/28/559273728.db2.gz DHUIVCDYQWURAZ-UHFFFAOYSA-N 0 1 408.137 6.052 40 0 HKABMN Clc1cc2nc(Cc3ccc(Br)cc3)[nH]c2c(Br)c1 ZINC000226342862 559273359 /nfs/dbraw/zinc/27/33/59/559273359.db2.gz UHWWTFKFMCEKBL-UHFFFAOYSA-N 0 1 400.501 5.332 40 0 HKABMN Clc1ccc(Cc2nc3cc(Br)cc(Br)c3[nH]2)cc1 ZINC000226342894 559273311 /nfs/dbraw/zinc/27/33/11/559273311.db2.gz FQISOQMGWAUPOD-UHFFFAOYSA-N 0 1 400.501 5.332 40 0 HKABMN Brc1cc2nc(-c3cccc4ccccc43)[nH]c2c(Br)c1 ZINC000226342925 559273296 /nfs/dbraw/zinc/27/32/96/559273296.db2.gz BBBXUKBQCRAMRM-UHFFFAOYSA-N 0 1 402.089 5.908 40 0 HKABMN Clc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c(Cl)c1 ZINC000226343318 559273363 /nfs/dbraw/zinc/27/33/63/559273363.db2.gz MIEAESKNPMTTFT-UHFFFAOYSA-N 0 1 420.919 6.062 40 0 HKABMN Clc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1Cl ZINC000226343345 559273332 /nfs/dbraw/zinc/27/33/32/559273332.db2.gz CJLJSBKVMDKOFH-UHFFFAOYSA-N 0 1 420.919 6.062 40 0 HKABMN Clc1ccc(Cl)c(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 ZINC000226343374 559273304 /nfs/dbraw/zinc/27/33/04/559273304.db2.gz WHFBSKFQONTODG-UHFFFAOYSA-N 0 1 420.919 6.062 40 0 HKABMN Cc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1Cl ZINC000226343415 559273348 /nfs/dbraw/zinc/27/33/48/559273348.db2.gz YVPOORLCZKFRLU-UHFFFAOYSA-N 0 1 400.501 5.717 40 0 HKABMN COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Br ZINC000226343516 559273351 /nfs/dbraw/zinc/27/33/51/559273351.db2.gz VMKWNALKVNFFLV-UHFFFAOYSA-N 0 1 416.500 5.417 40 0 HKABMN COc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1Cl ZINC000226343600 559273324 /nfs/dbraw/zinc/27/33/24/559273324.db2.gz ZRMMTQUKYSHUIL-UHFFFAOYSA-N 0 1 416.500 5.417 40 0 HKABMN CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c(Br)c1 ZINC000226344716 559273452 /nfs/dbraw/zinc/27/34/52/559273452.db2.gz DKFCJYQWXPCLKD-UHFFFAOYSA-N 0 1 414.086 5.476 40 0 HKABMN COC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c(Br)c1 ZINC000226344727 559273454 /nfs/dbraw/zinc/27/34/54/559273454.db2.gz OUBVUAAACJVQNT-UHFFFAOYSA-N 0 1 400.059 5.086 40 0 HKABMN CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c1 ZINC000226344867 559273459 /nfs/dbraw/zinc/27/34/59/559273459.db2.gz WATNRSVTYADXNU-UHFFFAOYSA-N 0 1 414.086 5.476 40 0 HKABMN COC(=O)c1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c1 ZINC000226344877 559273477 /nfs/dbraw/zinc/27/34/77/559273477.db2.gz DFLVQDGCPCQZNV-UHFFFAOYSA-N 0 1 400.059 5.086 40 0 HKABMN COc1ccc(CN2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245227207 569370226 /nfs/dbraw/zinc/37/02/26/569370226.db2.gz GACVFXYUDRVNOK-JWQCQUIFSA-N 0 1 419.496 5.289 40 0 HKABMN COc1ccc(CN2CC[C@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245227208 569370237 /nfs/dbraw/zinc/37/02/37/569370237.db2.gz GACVFXYUDRVNOK-LOSJGSFVSA-N 0 1 419.496 5.289 40 0 HKABMN COc1ccc2nc(S[C@H](C(=O)NC3CCCCCC3)c3ccccc3)[nH]c2c1 ZINC000247938974 569371009 /nfs/dbraw/zinc/37/10/09/569371009.db2.gz HVVWXQMVNAHQFT-NRFANRHFSA-N 0 1 409.555 5.244 40 0 HKABMN COc1ccc2nc(S[C@@H](C(=O)NC3CCCCCC3)c3ccccc3)[nH]c2c1 ZINC000247938981 569370991 /nfs/dbraw/zinc/37/09/91/569370991.db2.gz HVVWXQMVNAHQFT-OAQYLSRUSA-N 0 1 409.555 5.244 40 0 HKABMN COc1ccc2nc(SCC(=O)N3c4ccccc4CCc4ccccc43)[nH]c2c1 ZINC000247971296 569370986 /nfs/dbraw/zinc/37/09/86/569370986.db2.gz UXCNCYGKFHJJOE-UHFFFAOYSA-N 0 1 415.518 5.127 40 0 HKABMN CCOc1ccc2nc(S[C@@H](C(=O)NC3CCCCCC3)c3ccccc3)[nH]c2c1 ZINC000248380328 569371795 /nfs/dbraw/zinc/37/17/95/569371795.db2.gz PSXOFAWWFDPASZ-JOCHJYFZSA-N 0 1 423.582 5.634 40 0 HKABMN CCOc1ccc2nc(S[C@H](C(=O)NC3CCCCCC3)c3ccccc3)[nH]c2c1 ZINC000248380329 569371778 /nfs/dbraw/zinc/37/17/78/569371778.db2.gz PSXOFAWWFDPASZ-QFIPXVFZSA-N 0 1 423.582 5.634 40 0 HKABMN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1cccc2ccccc21 ZINC000253572981 569374122 /nfs/dbraw/zinc/37/41/22/569374122.db2.gz QWADTPYNCPWGPE-UHFFFAOYSA-N 0 1 418.566 5.157 40 0 HKABMN Cc1cccc(Nc2ccc([C@H]3CCCCN3Cc3ccc4nccnc4c3)cn2)n1 ZINC000257209596 569376761 /nfs/dbraw/zinc/37/67/61/569376761.db2.gz BQZPHIVXDSHRAQ-HSZRJFAPSA-N 0 1 410.525 5.199 40 0 HKABMN Cc1cccc(Nc2ccc([C@@H]3CCCCN3Cc3ccc4nccnc4c3)cn2)n1 ZINC000257209597 569376757 /nfs/dbraw/zinc/37/67/57/569376757.db2.gz BQZPHIVXDSHRAQ-QHCPKHFHSA-N 0 1 410.525 5.199 40 0 HKABMN O=C([O-])/C=C/c1ccc(C[N@@H+]2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257215780 569376923 /nfs/dbraw/zinc/37/69/23/569376923.db2.gz CRPNYBSMDSKXAZ-FQTAANOTSA-N 0 1 422.912 5.354 40 0 HKABMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257215780 569376924 /nfs/dbraw/zinc/37/69/24/569376924.db2.gz CRPNYBSMDSKXAZ-FQTAANOTSA-N 0 1 422.912 5.354 40 0 HKABMN O=C([O-])/C=C/c1ccc(C[N@@H+]2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257215781 569376906 /nfs/dbraw/zinc/37/69/06/569376906.db2.gz CRPNYBSMDSKXAZ-RUCTVCJSSA-N 0 1 422.912 5.354 40 0 HKABMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257215781 569376907 /nfs/dbraw/zinc/37/69/07/569376907.db2.gz CRPNYBSMDSKXAZ-RUCTVCJSSA-N 0 1 422.912 5.354 40 0 HKABMN O=C([O-])c1ccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000257219800 569376884 /nfs/dbraw/zinc/37/68/84/569376884.db2.gz DIFLAZCKRQTNRR-HSZRJFAPSA-N 0 1 406.913 5.361 40 0 HKABMN O=C([O-])c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000257219801 569376910 /nfs/dbraw/zinc/37/69/10/569376910.db2.gz DIFLAZCKRQTNRR-QHCPKHFHSA-N 0 1 406.913 5.361 40 0 HKABMN O=C(c1[nH]nc2ccccc21)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257251632 569377249 /nfs/dbraw/zinc/37/72/49/569377249.db2.gz JRNMYMKVVRSBQO-FQEVSTJZSA-N 0 1 420.900 5.163 40 0 HKABMN O=C(c1[nH]nc2ccccc21)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257251633 569377292 /nfs/dbraw/zinc/37/72/92/569377292.db2.gz JRNMYMKVVRSBQO-HXUWFJFHSA-N 0 1 420.900 5.163 40 0 HKABMN CC(C)n1c2ccccc2nc1CN1CCC(c2ccc(Cc3ccccc3)cn2)CC1 ZINC000257254248 569377269 /nfs/dbraw/zinc/37/72/69/569377269.db2.gz KCIBKLMQOOSGPB-UHFFFAOYSA-N 0 1 424.592 5.983 40 0 HKABMN O=C1[C@H]2[C@H](C[C@H](c3ccc(F)cc3)N2Cc2ccccc2)CCN1c1ccccc1 ZINC000257256353 569377409 /nfs/dbraw/zinc/37/74/09/569377409.db2.gz KLBUOOGRRUJOHM-FTBPSBKWSA-N 0 1 400.497 5.194 40 0 HKABMN Cc1nc(Nc2cncc(C3CCN(Cc4ccccc4Cl)CC3)n2)sc1C ZINC000257261681 569377426 /nfs/dbraw/zinc/37/74/26/569377426.db2.gz LIJZPLDCFMYONV-UHFFFAOYSA-N 0 1 413.978 5.327 40 0 HKABMN Cc1cccnc1Nc1ccc([C@H]2CCCCN2Cc2ccc3nccnc3c2)cn1 ZINC000257263242 569377415 /nfs/dbraw/zinc/37/74/15/569377415.db2.gz LOZWIEAPNFUMAI-HSZRJFAPSA-N 0 1 410.525 5.199 40 0 HKABMN Cc1cccnc1Nc1ccc([C@@H]2CCCCN2Cc2ccc3nccnc3c2)cn1 ZINC000257263243 569377366 /nfs/dbraw/zinc/37/73/66/569377366.db2.gz LOZWIEAPNFUMAI-QHCPKHFHSA-N 0 1 410.525 5.199 40 0 HKABMN CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNCc3cccs3)cc12 ZINC000257270494 569397914 /nfs/dbraw/zinc/39/79/14/569397914.db2.gz MULWUMRVIZQMGC-UHFFFAOYSA-N 0 1 410.974 5.723 40 0 HKABMN Clc1ccc2nc(CN3CCC(c4cccc(Nc5ccccn5)n4)CC3)[nH]c2c1 ZINC000257276021 569377483 /nfs/dbraw/zinc/37/74/83/569377483.db2.gz NSBBYGQLEPUBMB-UHFFFAOYSA-N 0 1 418.932 5.130 40 0 HKABMN COc1cc(CN(Cc2ccccc2)Cc2ccccc2CO)ccc1OC(C)C ZINC000257279904 569377560 /nfs/dbraw/zinc/37/75/60/569377560.db2.gz OIQGUNRYCWMKES-UHFFFAOYSA-N 0 1 405.538 5.177 40 0 HKABMN CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNCc3ccccc3)cc12 ZINC000257285307 569397808 /nfs/dbraw/zinc/39/78/08/569397808.db2.gz PGNVFEONVBCOTC-UHFFFAOYSA-N 0 1 404.945 5.661 40 0 HKABMN COc1cccc([C@H]2C[C@@H]3CCN(c4ccccc4)C(=O)[C@@H]3N2Cc2ccccc2)c1 ZINC000257299404 569377817 /nfs/dbraw/zinc/37/78/17/569377817.db2.gz RPYJNLLWJPVBSQ-HDYLNDSGSA-N 0 1 412.533 5.064 40 0 HKABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000257321334 569378092 /nfs/dbraw/zinc/37/80/92/569378092.db2.gz WBETXZLRNCDPEA-JOCHJYFZSA-N 0 1 422.960 5.063 40 0 HKABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000257321335 569378119 /nfs/dbraw/zinc/37/81/19/569378119.db2.gz WBETXZLRNCDPEA-QFIPXVFZSA-N 0 1 422.960 5.063 40 0 HKABMN COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C ZINC000257324841 569378147 /nfs/dbraw/zinc/37/81/47/569378147.db2.gz WQKLAFHPKKCNNM-JOCHJYFZSA-N 0 1 417.557 5.195 40 0 HKABMN COc1cc(C)c(CN2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C ZINC000257324841 569378149 /nfs/dbraw/zinc/37/81/49/569378149.db2.gz WQKLAFHPKKCNNM-JOCHJYFZSA-N 0 1 417.557 5.195 40 0 HKABMN COc1cc(C)c(C[N@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C ZINC000257324842 569378161 /nfs/dbraw/zinc/37/81/61/569378161.db2.gz WQKLAFHPKKCNNM-QFIPXVFZSA-N 0 1 417.557 5.195 40 0 HKABMN COc1cc(C)c(CN2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C ZINC000257324842 569378164 /nfs/dbraw/zinc/37/81/64/569378164.db2.gz WQKLAFHPKKCNNM-QFIPXVFZSA-N 0 1 417.557 5.195 40 0 HKABMN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3nc4ccc(F)cc4[nH]3)C2)n1 ZINC000257328073 569378195 /nfs/dbraw/zinc/37/81/95/569378195.db2.gz XEACVPVJQLLWCN-GOSISDBHSA-N 0 1 414.484 5.092 40 0 HKABMN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3nc4ccc(F)cc4[nH]3)C2)n1 ZINC000257328074 569378224 /nfs/dbraw/zinc/37/82/24/569378224.db2.gz XEACVPVJQLLWCN-SFHVURJKSA-N 0 1 414.484 5.092 40 0 HKABMN Fc1ccccc1CN1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000257337755 569378295 /nfs/dbraw/zinc/37/82/95/569378295.db2.gz YUFGHBNCTTUHSN-HSZRJFAPSA-N 0 1 414.446 6.167 40 0 HKABMN Fc1ccccc1CN1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000257337756 569378368 /nfs/dbraw/zinc/37/83/68/569378368.db2.gz YUFGHBNCTTUHSN-QHCPKHFHSA-N 0 1 414.446 6.167 40 0 HKABMN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 ZINC000257339383 569378265 /nfs/dbraw/zinc/37/82/65/569378265.db2.gz ZBLZJTYIRJFXFA-HSZRJFAPSA-N 0 1 406.505 5.410 40 0 HKABMN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 ZINC000257339384 569378308 /nfs/dbraw/zinc/37/83/08/569378308.db2.gz ZBLZJTYIRJFXFA-QHCPKHFHSA-N 0 1 406.505 5.410 40 0 HKABMN CC(C)c1nc(NC2CCCC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328962561 569384336 /nfs/dbraw/zinc/38/43/36/569384336.db2.gz BIXRBQUBUSHIJF-UHFFFAOYSA-N 0 1 420.479 5.416 40 0 HKABMN CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)n1 ZINC000328972607 569384344 /nfs/dbraw/zinc/38/43/44/569384344.db2.gz DVTSJSKUKFBZTA-AWEZNQCLSA-N 0 1 408.468 5.272 40 0 HKABMN CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)n1 ZINC000328972608 569384439 /nfs/dbraw/zinc/38/44/39/569384439.db2.gz DVTSJSKUKFBZTA-CQSZACIVSA-N 0 1 408.468 5.272 40 0 HKABMN CC(C)c1nc(NC2CCCCC2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000328973639 569384380 /nfs/dbraw/zinc/38/43/80/569384380.db2.gz FBVSCUXXLLAQIZ-UHFFFAOYSA-N 0 1 408.590 5.135 40 0 HKABMN CC(C)c1nc(NC2CCCC2)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328977367 569384533 /nfs/dbraw/zinc/38/45/33/569384533.db2.gz FTNOBMMCTRTVSS-UHFFFAOYSA-N 0 1 415.379 5.280 40 0 HKABMN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCCC2)n1 ZINC000328988200 569384603 /nfs/dbraw/zinc/38/46/03/569384603.db2.gz IELYRNFTPPXEHO-UHFFFAOYSA-N 0 1 415.379 5.109 40 0 HKABMN Oc1c(Cl)cc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cc1Cl ZINC000328990990 569384615 /nfs/dbraw/zinc/38/46/15/569384615.db2.gz IRNWYTNZPGOEGK-UHFFFAOYSA-N 0 1 415.324 5.098 40 0 HKABMN CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328994453 569384512 /nfs/dbraw/zinc/38/45/12/569384512.db2.gz JEAKVGQPETUQRI-UHFFFAOYSA-N 0 1 420.479 5.416 40 0 HKABMN FC(F)(F)c1cc(NNc2ccc(Cl)cc2Cl)nc(NC2CCCCC2)n1 ZINC000329002846 571304784 /nfs/dbraw/zinc/30/47/84/571304784.db2.gz KJZWDEUIQUMPFT-UHFFFAOYSA-N 0 1 420.266 5.986 40 0 HKABMN CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C(C)C)n1 ZINC000329008082 569384735 /nfs/dbraw/zinc/38/47/35/569384735.db2.gz LOPSAHINJBDMBL-AWEZNQCLSA-N 0 1 403.368 5.136 40 0 HKABMN CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C(C)C)n1 ZINC000329008083 569384752 /nfs/dbraw/zinc/38/47/52/569384752.db2.gz LOPSAHINJBDMBL-CQSZACIVSA-N 0 1 403.368 5.136 40 0 HKABMN FC(F)(F)c1cc(NNc2ccc(Cl)cc2Cl)nc(NC2CCCC2)n1 ZINC000329013096 571304788 /nfs/dbraw/zinc/30/47/88/571304788.db2.gz MOIXLMMZRGCCJV-UHFFFAOYSA-N 0 1 406.239 5.596 40 0 HKABMN CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CCCCC2)n1 ZINC000329023997 569384672 /nfs/dbraw/zinc/38/46/72/569384672.db2.gz OXWKAHTUEAUNRT-UHFFFAOYSA-N 0 1 420.479 5.245 40 0 HKABMN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CCCCC2)n1 ZINC000329026549 569384652 /nfs/dbraw/zinc/38/46/52/569384652.db2.gz PMWHPDOXEQEHNU-UHFFFAOYSA-N 0 1 420.479 5.245 40 0 HKABMN CC(C)c1nc(NCc2ccccc2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329032788 569384628 /nfs/dbraw/zinc/38/46/28/569384628.db2.gz QPYLKSNQOXSCHZ-UHFFFAOYSA-N 0 1 416.569 5.002 40 0 HKABMN CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329043639 569384890 /nfs/dbraw/zinc/38/48/90/569384890.db2.gz STAMKCBQKQVAKE-UHFFFAOYSA-N 0 1 415.379 5.280 40 0 HKABMN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCCC2)n1 ZINC000329045577 569384875 /nfs/dbraw/zinc/38/48/75/569384875.db2.gz TXAOOGOMTSAHRX-UHFFFAOYSA-N 0 1 415.379 5.109 40 0 HKABMN CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C(C)C)n1 ZINC000329056128 569384858 /nfs/dbraw/zinc/38/48/58/569384858.db2.gz VRKNOVUOWPGPPD-AWEZNQCLSA-N 0 1 403.368 5.136 40 0 HKABMN CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C(C)C)n1 ZINC000329056129 569384881 /nfs/dbraw/zinc/38/48/81/569384881.db2.gz VRKNOVUOWPGPPD-CQSZACIVSA-N 0 1 403.368 5.136 40 0 HKABMN CC(C)(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329063415 571304758 /nfs/dbraw/zinc/30/47/58/571304758.db2.gz 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ZINC000408529091 558466056 /nfs/dbraw/zinc/46/60/56/558466056.db2.gz ZXDBFKOOGYLLJU-UHFFFAOYSA-N 0 1 405.137 6.378 40 0 HKABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408543930 558491399 /nfs/dbraw/zinc/49/13/99/558491399.db2.gz GDGWYJTWYHDOFV-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN CCCCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408547883 558492036 /nfs/dbraw/zinc/49/20/36/558492036.db2.gz OFPAOPAWOAQZCX-UHFFFAOYSA-N 0 1 422.550 5.391 40 0 HKABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000408547888 557370470 /nfs/dbraw/zinc/37/04/70/557370470.db2.gz OHHMSYLSVIAIRD-UHFFFAOYSA-N 0 1 422.550 5.480 40 0 HKABMN O=Cc1cc(Br)c(Sc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)o1 ZINC000408554419 557443759 /nfs/dbraw/zinc/44/37/59/557443759.db2.gz DVLGGPBKRBIGHU-UHFFFAOYSA-N 0 1 419.087 5.098 40 0 HKABMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000408554585 558500417 /nfs/dbraw/zinc/50/04/17/558500417.db2.gz CMHKSBIQFOAWQR-UHFFFAOYSA-N 0 1 417.914 5.640 40 0 HKABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408555476 558501947 /nfs/dbraw/zinc/50/19/47/558501947.db2.gz AXPYNOCDQOFOLC-UHFFFAOYSA-N 0 1 403.887 5.332 40 0 HKABMN COc1ccc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000408557230 558502739 /nfs/dbraw/zinc/50/27/39/558502739.db2.gz NYDNXLXCNSQLAX-UHFFFAOYSA-N 0 1 419.531 5.493 40 0 HKABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000408557854 558503261 /nfs/dbraw/zinc/50/32/61/558503261.db2.gz HXGZAKMMBVIIBX-UHFFFAOYSA-N 0 1 417.914 5.119 40 0 HKABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408558158 557455251 /nfs/dbraw/zinc/45/52/51/557455251.db2.gz IQEMJXJHAFGARE-UHFFFAOYSA-N 0 1 414.232 5.212 40 0 HKABMN O=C(Nc1c(Cl)cccc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000408580920 558516033 /nfs/dbraw/zinc/51/60/33/558516033.db2.gz SLWIBXIJWNICAI-UHFFFAOYSA-N 0 1 421.305 5.047 40 0 HKABMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1Cl ZINC000408592285 558528058 /nfs/dbraw/zinc/52/80/58/558528058.db2.gz 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558576690 /nfs/dbraw/zinc/57/66/90/558576690.db2.gz ASAIAQBZLYHLLZ-UHFFFAOYSA-N 0 1 411.523 5.198 40 0 HKABMN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(C)C)ccc3OC)ccc21 ZINC000408701012 558575753 /nfs/dbraw/zinc/57/57/53/558575753.db2.gz PZEKNILCJXSXMA-UHFFFAOYSA-N 0 1 422.550 5.747 40 0 HKABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408701097 558575723 /nfs/dbraw/zinc/57/57/23/558575723.db2.gz RHOWKLDCHSXPDP-UHFFFAOYSA-N 0 1 407.841 5.292 40 0 HKABMN CC(C)(C)c1ccc([C@@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408723769 558586267 /nfs/dbraw/zinc/58/62/67/558586267.db2.gz KZKDKSKIVRACQK-DEOSSOPVSA-N 0 1 418.487 6.346 40 0 HKABMN CC(C)(C)c1ccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408723770 558586235 /nfs/dbraw/zinc/58/62/35/558586235.db2.gz KZKDKSKIVRACQK-XMMPIXPASA-N 0 1 418.487 6.346 40 0 HKABMN CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000408725053 558587597 /nfs/dbraw/zinc/58/75/97/558587597.db2.gz IQFVJLLVDWVSDW-GZTJUZNOSA-N 0 1 415.386 5.889 40 0 HKABMN Clc1ccc(N=C(NC2CCCCC2)C(c2ccccc2)c2ccccc2)cc1 ZINC000408822731 560645237 /nfs/dbraw/zinc/64/52/37/560645237.db2.gz UUKAOYXLLZENGA-UHFFFAOYSA-N 0 1 402.969 7.091 40 0 HKABMN Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000408830299 558663974 /nfs/dbraw/zinc/66/39/74/558663974.db2.gz MAMXDGKMJHGJAR-UHFFFAOYSA-N 0 1 419.956 5.223 40 0 HKABMN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000408875248 558707198 /nfs/dbraw/zinc/70/71/98/558707198.db2.gz ICOFTFSTXIYEEP-UHFFFAOYSA-N 0 1 419.956 5.223 40 0 HKABMN C=C1N=C(SCc2cccc(C)c2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408987499 558839077 /nfs/dbraw/zinc/83/90/77/558839077.db2.gz FNDUGEQPIQSALJ-JOCHJYFZSA-N 0 1 424.566 5.165 40 0 HKABMN C=C1N=C(SCc2cccc(C)c2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408987502 558838991 /nfs/dbraw/zinc/83/89/91/558838991.db2.gz FNDUGEQPIQSALJ-QFIPXVFZSA-N 0 1 424.566 5.165 40 0 HKABMN C=C1N=C(SCc2ccc(Cl)cc2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408988178 560661974 /nfs/dbraw/zinc/66/19/74/560661974.db2.gz HKDNRIFYSJAWHI-IBGZPJMESA-N 0 1 400.931 5.111 40 0 HKABMN C=C1N=C(SCc2ccc(Cl)cc2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408988180 560661952 /nfs/dbraw/zinc/66/19/52/560661952.db2.gz HKDNRIFYSJAWHI-LJQANCHMSA-N 0 1 400.931 5.111 40 0 HKABMN O=c1[nH]c(-c2ccc(O)c(Br)c2)nc2sc3c(c21)CCCCCC3 ZINC000408988591 558841042 /nfs/dbraw/zinc/84/10/42/558841042.db2.gz IKTOGFFCKNLZDS-UHFFFAOYSA-N 0 1 405.317 5.191 40 0 HKABMN C=C1N=C(SCc2cccc3ccccc32)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408992282 558852075 /nfs/dbraw/zinc/85/20/75/558852075.db2.gz SSSCBFBQAFUROU-HSZRJFAPSA-N 0 1 416.546 5.611 40 0 HKABMN C=C1N=C(SCc2cccc3ccccc32)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408992284 558852031 /nfs/dbraw/zinc/85/20/31/558852031.db2.gz SSSCBFBQAFUROU-QHCPKHFHSA-N 0 1 416.546 5.611 40 0 HKABMN C=C1N=C(SCc2c(C)cc(C)cc2C)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408993969 558852754 /nfs/dbraw/zinc/85/27/54/558852754.db2.gz XSINZQXHBLYDGU-JOCHJYFZSA-N 0 1 408.567 5.383 40 0 HKABMN C=C1N=C(SCc2c(C)cc(C)cc2C)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408993971 558852780 /nfs/dbraw/zinc/85/27/80/558852780.db2.gz XSINZQXHBLYDGU-QFIPXVFZSA-N 0 1 408.567 5.383 40 0 HKABMN O=C1S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1CCCc1ccccc1 ZINC000409126372 558970631 /nfs/dbraw/zinc/97/06/31/558970631.db2.gz BRFQLIBXJKKVKZ-MHWRWJLKSA-N 0 1 408.306 5.368 40 0 HKABMN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1Cl ZINC000409135821 558864214 /nfs/dbraw/zinc/86/42/14/558864214.db2.gz ZZTPDSWCNBQPQO-UHFFFAOYSA-N 0 1 401.098 5.110 40 0 HKABMN O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000409180814 559009421 /nfs/dbraw/zinc/00/94/21/559009421.db2.gz SDUVYIQRCJNWPA-UHFFFAOYSA-N 0 1 424.374 6.087 40 0 HKABMN O=C1S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1c1cccc(Cl)c1 ZINC000409209646 568512537 /nfs/dbraw/zinc/51/25/37/568512537.db2.gz GZNOFBCRBMNMMV-WLRTZDKTSA-N 0 1 400.670 5.593 40 0 HKABMN COc1cc(-c2nc3ccccc3s2)c(Br)c(Br)c1O ZINC000409268877 559050649 /nfs/dbraw/zinc/05/06/49/559050649.db2.gz 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ZINC000409382629 559071275 /nfs/dbraw/zinc/07/12/75/559071275.db2.gz VSTHKZOSIGTIGR-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1C ZINC000409382648 559071202 /nfs/dbraw/zinc/07/12/02/559071202.db2.gz WNWCUSGWJUFOCM-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000409382888 559070861 /nfs/dbraw/zinc/07/08/61/559070861.db2.gz XCRKGZQBMGXWCU-UHFFFAOYSA-N 0 1 421.305 5.047 40 0 HKABMN CCCCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000409407782 559075313 /nfs/dbraw/zinc/07/53/13/559075313.db2.gz HRFYOPLEMONQOD-UHFFFAOYSA-N 0 1 408.523 5.082 40 0 HKABMN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000409410709 559075486 /nfs/dbraw/zinc/07/54/86/559075486.db2.gz OQVXCABGVHASJK-UHFFFAOYSA-N 0 1 405.928 5.655 40 0 HKABMN Cc1cccc(C(C)C)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000409410901 560721392 /nfs/dbraw/zinc/72/13/92/560721392.db2.gz ADGJHVWXTAHTMW-UHFFFAOYSA-N 0 1 408.523 5.172 40 0 HKABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000409412195 560722458 /nfs/dbraw/zinc/72/24/58/560722458.db2.gz TVIQJAZKAHPKJG-UHFFFAOYSA-N 0 1 414.914 5.010 40 0 HKABMN C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1 ZINC000584567166 571305407 /nfs/dbraw/zinc/30/54/07/571305407.db2.gz WYVGOSUDBSSDLC-OKILXGFUSA-N 0 1 412.440 5.637 40 0 HKABMN Cc1cc(C)nc(NC2CC3(C2)CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC3)n1 ZINC000585103183 569029861 /nfs/dbraw/zinc/02/98/61/569029861.db2.gz LVTYJTZXCUFHEY-UHFFFAOYSA-N 0 1 422.470 5.108 40 0 HKABMN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)n1 ZINC000585292732 569030271 /nfs/dbraw/zinc/03/02/71/569030271.db2.gz RYIPYPJVUNXBJX-DGXIYAMASA-N 0 1 412.537 5.256 40 0 HKABMN Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)n1 ZINC000585292733 569030238 /nfs/dbraw/zinc/03/02/38/569030238.db2.gz RYIPYPJVUNXBJX-TWLJRWAQSA-N 0 1 412.537 5.256 40 0 HKABMN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000585293186 569030256 /nfs/dbraw/zinc/03/02/56/569030256.db2.gz RVJDNPCKCGFJQZ-CHHLAKQQSA-N 0 1 412.537 5.256 40 0 HKABMN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000585293187 569030290 /nfs/dbraw/zinc/03/02/90/569030290.db2.gz RVJDNPCKCGFJQZ-GNNUASRNSA-N 0 1 412.537 5.256 40 0 HKABMN